data_5221 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5221 _Entry.Title ; Backbone 1H, 13C, and 15N resonance assignments for the C-Terminal Region of Ku86 (Ku86CTR) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-11-30 _Entry.Accession_date 2001-12-03 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Richard Harris . . . 5221 2 Joseph Maman . D. . 5221 3 John Hinks . A. . 5221 4 Andrew Sankar . . . 5221 5 Laurence Pearl . H. . 5221 6 Paul Driscoll . C. . 5221 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5221 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 509 5221 '13C chemical shifts' 448 5221 '15N chemical shifts' 108 5221 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-08-22 2001-11-30 original author . 5221 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5221 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22012548 _Citation.DOI . _Citation.PubMed_ID 12018486 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 13C, and 15N resonance assignments for the C-Terminal Region of Ku86 (Ku86CTR) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _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 373 _Citation.Page_last 374 _Citation.Year 2002 _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 Richard Harris . . . 5221 1 2 Joseph Maman . D. . 5221 1 3 John Hinks . A. . 5221 1 4 Andrew Sankar . . . 5221 1 5 Laurence Pearl . H. . 5221 1 6 Paul Driscoll . C. . 5221 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Ku86CTR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Ku86CTR _Assembly.Entry_ID 5221 _Assembly.ID 1 _Assembly.Name 'C-Terminal Region of Ku86' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5221 1 stop_ 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 Ku86CTR 1 $Ku86CTR . . . native . . . . . 5221 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C-Terminal Region of Ku86' system 5221 1 Ku86CTR abbreviation 5221 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ku86CTR _Entity.Sf_category entity _Entity.Sf_framecode Ku86CTR _Entity.Entry_ID 5221 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal region of Ku86' _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 ; MRGSHHHHHHGMASGTMKKK DQVTAQEIFQDNHEDGPTAK KLKTEQGGAHFSVSSLAEGS VTSVGSVNPAENFRVLVKQK KASFEEASNQLINHIEQFLD TNETPYFMKSIDCIRAFREE AIKFSEEQRFNNFLKALQEK VEIKQLNHFWEIVVQDGITL ITKEEASGSSVTAEEAKKFL APKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 20741 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 5912 . helicase_II . . . . . 65.22 120 99.17 99.17 2.94e-79 . . . . 5221 1 2 no PDB 1Q2Z . "The 3d Solution Structure Of The C-Terminal Region Of Ku86" . . . . . 65.22 120 99.17 99.17 2.94e-79 . . . . 5221 1 3 no DBJ BAD96323 . "ATP-dependent DNA helicase II variant [Homo sapiens]" . . . . . 90.76 732 100.00 100.00 7.28e-109 . . . . 5221 1 4 no DBJ BAE01114 . "unnamed protein product [Macaca fascicularis]" . . . . . 90.76 618 97.60 100.00 4.55e-108 . . . . 5221 1 5 no DBJ BAF83429 . "unnamed protein product [Homo sapiens]" . . . . . 90.76 732 100.00 100.00 6.07e-109 . . . . 5221 1 6 no DBJ BAH24115 . "X-ray repair complementing defective repair in Chinese hamster cells 5 [synthetic construct]" . . . . . 90.76 732 100.00 100.00 6.20e-109 . . . . 5221 1 7 no EMBL CAA40736 . "nuclear factor IV [Homo sapiens]" . . . . . 90.76 628 100.00 100.00 5.39e-110 . . . . 5221 1 8 no EMBL CAH92321 . "hypothetical protein [Pongo abelii]" . . . . . 90.76 732 97.60 100.00 3.25e-107 . . . . 5221 1 9 no GB AAA36154 . "Ku (p70/p80) subunit [Homo sapiens]" . . . . . 90.76 732 100.00 100.00 6.20e-109 . . . . 5221 1 10 no GB AAA59475 . "Ku antigen [Homo sapiens]" . . . . . 90.76 732 100.00 100.00 6.20e-109 . . . . 5221 1 11 no GB AAH19027 . "X-ray repair complementing defective repair in Chinese hamster cells 5 (double-strand-break rejoining) [Homo sapiens]" . . . . . 90.76 732 100.00 100.00 6.20e-109 . . . . 5221 1 12 no GB AAH95442 . "X-ray repair complementing defective repair in Chinese hamster cells 5 (double-strand-break rejoining) [Homo sapiens]" . . . . . 90.76 732 100.00 100.00 6.20e-109 . . . . 5221 1 13 no GB AAR11279 . "Ku autoantigen [Pan troglodytes]" . . . . . 62.50 138 99.13 100.00 7.91e-75 . . . . 5221 1 14 no REF NP_001126362 . "X-ray repair cross-complementing protein 5 [Pongo abelii]" . . . . . 90.76 732 97.60 100.00 3.25e-107 . . . . 5221 1 15 no REF NP_001244295 . "X-ray repair cross-complementing protein 5 [Macaca mulatta]" . . . . . 90.76 732 97.60 100.00 6.30e-107 . . . . 5221 1 16 no REF NP_066964 . "X-ray repair cross-complementing protein 5 [Homo sapiens]" . . . . . 90.76 732 100.00 100.00 6.20e-109 . . . . 5221 1 17 no REF XP_001151873 . "PREDICTED: X-ray repair cross-complementing protein 5 [Pan troglodytes]" . . . . . 90.76 827 99.40 100.00 1.69e-107 . . . . 5221 1 18 no REF XP_003254095 . "PREDICTED: X-ray repair cross-complementing protein 5 [Nomascus leucogenys]" . . . . . 90.76 732 98.20 100.00 1.99e-107 . . . . 5221 1 19 no SP P13010 . "RecName: Full=X-ray repair cross-complementing protein 5; AltName: Full=86 kDa subunit of Ku antigen; AltName: Full=ATP-depende" . . . . . 90.76 732 100.00 100.00 6.20e-109 . . . . 5221 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal region of Ku86' common 5221 1 Ku86CTR abbreviation 5221 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 1 MET . 5221 1 2 2 ARG . 5221 1 3 3 GLY . 5221 1 4 4 SER . 5221 1 5 5 HIS . 5221 1 6 6 HIS . 5221 1 7 7 HIS . 5221 1 8 8 HIS . 5221 1 9 9 HIS . 5221 1 10 10 HIS . 5221 1 11 11 GLY . 5221 1 12 12 MET . 5221 1 13 13 ALA . 5221 1 14 14 SER . 5221 1 15 15 GLY . 5221 1 16 16 THR . 5221 1 17 17 MET . 5221 1 18 543 LYS . 5221 1 19 544 LYS . 5221 1 20 545 LYS . 5221 1 21 546 ASP . 5221 1 22 547 GLN . 5221 1 23 548 VAL . 5221 1 24 549 THR . 5221 1 25 550 ALA . 5221 1 26 551 GLN . 5221 1 27 552 GLU . 5221 1 28 553 ILE . 5221 1 29 554 PHE . 5221 1 30 555 GLN . 5221 1 31 556 ASP . 5221 1 32 557 ASN . 5221 1 33 558 HIS . 5221 1 34 559 GLU . 5221 1 35 560 ASP . 5221 1 36 561 GLY . 5221 1 37 562 PRO . 5221 1 38 563 THR . 5221 1 39 564 ALA . 5221 1 40 565 LYS . 5221 1 41 566 LYS . 5221 1 42 567 LEU . 5221 1 43 568 LYS . 5221 1 44 569 THR . 5221 1 45 570 GLU . 5221 1 46 571 GLN . 5221 1 47 572 GLY . 5221 1 48 573 GLY . 5221 1 49 574 ALA . 5221 1 50 575 HIS . 5221 1 51 576 PHE . 5221 1 52 577 SER . 5221 1 53 578 VAL . 5221 1 54 579 SER . 5221 1 55 580 SER . 5221 1 56 581 LEU . 5221 1 57 582 ALA . 5221 1 58 583 GLU . 5221 1 59 584 GLY . 5221 1 60 585 SER . 5221 1 61 586 VAL . 5221 1 62 587 THR . 5221 1 63 588 SER . 5221 1 64 589 VAL . 5221 1 65 590 GLY . 5221 1 66 591 SER . 5221 1 67 592 VAL . 5221 1 68 593 ASN . 5221 1 69 594 PRO . 5221 1 70 595 ALA . 5221 1 71 596 GLU . 5221 1 72 597 ASN . 5221 1 73 598 PHE . 5221 1 74 599 ARG . 5221 1 75 600 VAL . 5221 1 76 601 LEU . 5221 1 77 602 VAL . 5221 1 78 603 LYS . 5221 1 79 604 GLN . 5221 1 80 605 LYS . 5221 1 81 606 LYS . 5221 1 82 607 ALA . 5221 1 83 608 SER . 5221 1 84 609 PHE . 5221 1 85 610 GLU . 5221 1 86 611 GLU . 5221 1 87 612 ALA . 5221 1 88 613 SER . 5221 1 89 614 ASN . 5221 1 90 615 GLN . 5221 1 91 616 LEU . 5221 1 92 617 ILE . 5221 1 93 618 ASN . 5221 1 94 619 HIS . 5221 1 95 620 ILE . 5221 1 96 621 GLU . 5221 1 97 622 GLN . 5221 1 98 623 PHE . 5221 1 99 624 LEU . 5221 1 100 625 ASP . 5221 1 101 626 THR . 5221 1 102 627 ASN . 5221 1 103 628 GLU . 5221 1 104 629 THR . 5221 1 105 630 PRO . 5221 1 106 631 TYR . 5221 1 107 632 PHE . 5221 1 108 633 MET . 5221 1 109 634 LYS . 5221 1 110 635 SER . 5221 1 111 636 ILE . 5221 1 112 637 ASP . 5221 1 113 638 CYS . 5221 1 114 639 ILE . 5221 1 115 640 ARG . 5221 1 116 641 ALA . 5221 1 117 642 PHE . 5221 1 118 643 ARG . 5221 1 119 644 GLU . 5221 1 120 645 GLU . 5221 1 121 646 ALA . 5221 1 122 647 ILE . 5221 1 123 648 LYS . 5221 1 124 649 PHE . 5221 1 125 650 SER . 5221 1 126 651 GLU . 5221 1 127 652 GLU . 5221 1 128 653 GLN . 5221 1 129 654 ARG . 5221 1 130 655 PHE . 5221 1 131 656 ASN . 5221 1 132 657 ASN . 5221 1 133 658 PHE . 5221 1 134 659 LEU . 5221 1 135 660 LYS . 5221 1 136 661 ALA . 5221 1 137 662 LEU . 5221 1 138 663 GLN . 5221 1 139 664 GLU . 5221 1 140 665 LYS . 5221 1 141 666 VAL . 5221 1 142 667 GLU . 5221 1 143 668 ILE . 5221 1 144 669 LYS . 5221 1 145 670 GLN . 5221 1 146 671 LEU . 5221 1 147 672 ASN . 5221 1 148 673 HIS . 5221 1 149 674 PHE . 5221 1 150 675 TRP . 5221 1 151 676 GLU . 5221 1 152 677 ILE . 5221 1 153 678 VAL . 5221 1 154 679 VAL . 5221 1 155 680 GLN . 5221 1 156 681 ASP . 5221 1 157 682 GLY . 5221 1 158 683 ILE . 5221 1 159 684 THR . 5221 1 160 685 LEU . 5221 1 161 686 ILE . 5221 1 162 687 THR . 5221 1 163 688 LYS . 5221 1 164 689 GLU . 5221 1 165 690 GLU . 5221 1 166 691 ALA . 5221 1 167 692 SER . 5221 1 168 693 GLY . 5221 1 169 694 SER . 5221 1 170 695 SER . 5221 1 171 696 VAL . 5221 1 172 697 THR . 5221 1 173 698 ALA . 5221 1 174 699 GLU . 5221 1 175 700 GLU . 5221 1 176 701 ALA . 5221 1 177 702 LYS . 5221 1 178 703 LYS . 5221 1 179 704 PHE . 5221 1 180 705 LEU . 5221 1 181 706 ALA . 5221 1 182 707 PRO . 5221 1 183 708 LYS . 5221 1 184 709 ASP . 5221 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5221 1 . ARG 2 2 5221 1 . GLY 3 3 5221 1 . SER 4 4 5221 1 . HIS 5 5 5221 1 . HIS 6 6 5221 1 . HIS 7 7 5221 1 . HIS 8 8 5221 1 . HIS 9 9 5221 1 . HIS 10 10 5221 1 . GLY 11 11 5221 1 . MET 12 12 5221 1 . ALA 13 13 5221 1 . SER 14 14 5221 1 . GLY 15 15 5221 1 . THR 16 16 5221 1 . MET 17 17 5221 1 . LYS 18 18 5221 1 . LYS 19 19 5221 1 . LYS 20 20 5221 1 . ASP 21 21 5221 1 . GLN 22 22 5221 1 . VAL 23 23 5221 1 . THR 24 24 5221 1 . ALA 25 25 5221 1 . GLN 26 26 5221 1 . GLU 27 27 5221 1 . ILE 28 28 5221 1 . PHE 29 29 5221 1 . GLN 30 30 5221 1 . ASP 31 31 5221 1 . ASN 32 32 5221 1 . HIS 33 33 5221 1 . GLU 34 34 5221 1 . ASP 35 35 5221 1 . GLY 36 36 5221 1 . PRO 37 37 5221 1 . THR 38 38 5221 1 . ALA 39 39 5221 1 . LYS 40 40 5221 1 . LYS 41 41 5221 1 . LEU 42 42 5221 1 . LYS 43 43 5221 1 . THR 44 44 5221 1 . GLU 45 45 5221 1 . GLN 46 46 5221 1 . GLY 47 47 5221 1 . GLY 48 48 5221 1 . ALA 49 49 5221 1 . HIS 50 50 5221 1 . PHE 51 51 5221 1 . SER 52 52 5221 1 . VAL 53 53 5221 1 . SER 54 54 5221 1 . SER 55 55 5221 1 . LEU 56 56 5221 1 . ALA 57 57 5221 1 . GLU 58 58 5221 1 . GLY 59 59 5221 1 . SER 60 60 5221 1 . VAL 61 61 5221 1 . THR 62 62 5221 1 . SER 63 63 5221 1 . VAL 64 64 5221 1 . GLY 65 65 5221 1 . SER 66 66 5221 1 . VAL 67 67 5221 1 . ASN 68 68 5221 1 . PRO 69 69 5221 1 . ALA 70 70 5221 1 . GLU 71 71 5221 1 . ASN 72 72 5221 1 . PHE 73 73 5221 1 . ARG 74 74 5221 1 . VAL 75 75 5221 1 . LEU 76 76 5221 1 . VAL 77 77 5221 1 . LYS 78 78 5221 1 . GLN 79 79 5221 1 . LYS 80 80 5221 1 . LYS 81 81 5221 1 . ALA 82 82 5221 1 . SER 83 83 5221 1 . PHE 84 84 5221 1 . GLU 85 85 5221 1 . GLU 86 86 5221 1 . ALA 87 87 5221 1 . SER 88 88 5221 1 . ASN 89 89 5221 1 . GLN 90 90 5221 1 . LEU 91 91 5221 1 . ILE 92 92 5221 1 . ASN 93 93 5221 1 . HIS 94 94 5221 1 . ILE 95 95 5221 1 . GLU 96 96 5221 1 . GLN 97 97 5221 1 . PHE 98 98 5221 1 . LEU 99 99 5221 1 . ASP 100 100 5221 1 . THR 101 101 5221 1 . ASN 102 102 5221 1 . GLU 103 103 5221 1 . THR 104 104 5221 1 . PRO 105 105 5221 1 . TYR 106 106 5221 1 . PHE 107 107 5221 1 . MET 108 108 5221 1 . LYS 109 109 5221 1 . SER 110 110 5221 1 . ILE 111 111 5221 1 . ASP 112 112 5221 1 . CYS 113 113 5221 1 . ILE 114 114 5221 1 . ARG 115 115 5221 1 . ALA 116 116 5221 1 . PHE 117 117 5221 1 . ARG 118 118 5221 1 . GLU 119 119 5221 1 . GLU 120 120 5221 1 . ALA 121 121 5221 1 . ILE 122 122 5221 1 . LYS 123 123 5221 1 . PHE 124 124 5221 1 . SER 125 125 5221 1 . GLU 126 126 5221 1 . GLU 127 127 5221 1 . GLN 128 128 5221 1 . ARG 129 129 5221 1 . PHE 130 130 5221 1 . ASN 131 131 5221 1 . ASN 132 132 5221 1 . PHE 133 133 5221 1 . LEU 134 134 5221 1 . LYS 135 135 5221 1 . ALA 136 136 5221 1 . LEU 137 137 5221 1 . GLN 138 138 5221 1 . GLU 139 139 5221 1 . LYS 140 140 5221 1 . VAL 141 141 5221 1 . GLU 142 142 5221 1 . ILE 143 143 5221 1 . LYS 144 144 5221 1 . GLN 145 145 5221 1 . LEU 146 146 5221 1 . ASN 147 147 5221 1 . HIS 148 148 5221 1 . PHE 149 149 5221 1 . TRP 150 150 5221 1 . GLU 151 151 5221 1 . ILE 152 152 5221 1 . VAL 153 153 5221 1 . VAL 154 154 5221 1 . GLN 155 155 5221 1 . ASP 156 156 5221 1 . GLY 157 157 5221 1 . ILE 158 158 5221 1 . THR 159 159 5221 1 . LEU 160 160 5221 1 . ILE 161 161 5221 1 . THR 162 162 5221 1 . LYS 163 163 5221 1 . GLU 164 164 5221 1 . GLU 165 165 5221 1 . ALA 166 166 5221 1 . SER 167 167 5221 1 . GLY 168 168 5221 1 . SER 169 169 5221 1 . SER 170 170 5221 1 . VAL 171 171 5221 1 . THR 172 172 5221 1 . ALA 173 173 5221 1 . GLU 174 174 5221 1 . GLU 175 175 5221 1 . ALA 176 176 5221 1 . LYS 177 177 5221 1 . LYS 178 178 5221 1 . PHE 179 179 5221 1 . LEU 180 180 5221 1 . ALA 181 181 5221 1 . PRO 182 182 5221 1 . LYS 183 183 5221 1 . ASP 184 184 5221 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 5221 _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 $Ku86CTR . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5221 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 5221 _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 $Ku86CTR . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 Star' DE3 . . . . . . . . . . . plasmid . . pET . . . ; Expressed construct contains an N-terminal hexahistidine purification tag: MGSSHHHHHHSSGLVPRGS before the initiating Met of GABARAP. ; . . 5221 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5221 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'C-terminal region of Ku86' '[U-13C; U-15N]' . . 1 $Ku86CTR . . . 1.0 1.5 mM . . . . 5221 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5221 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.0 0.2 n/a 5221 1 temperature 298 0.2 K 5221 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPIPE _Software.Sf_category software _Software.Sf_framecode nmrPIPE _Software.Entry_ID 5221 _Software.ID 1 _Software.Name nmrPIPE _Software.Version . _Software.Details ; Delaglio et al. Journal of Biomolecular NMR (1995) 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5221 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5221 _Software.ID 2 _Software.Name ANSIG _Software.Version v3.3 _Software.Details ; Kraulis et al. Biochemistry (1994) 33, 3315-3531 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 5221 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5221 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5221 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITYplus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5221 _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 NMR_spectrometer_1 Varian UNITYplus . 500 . . . 5221 1 2 NMR_spectrometer_2 Varian UNITYplus . 600 . . . 5221 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 5221 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 2 '1H-15N TROSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 3 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 4 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 7 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 8 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 9 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 10 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 11 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 12 (H)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5221 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name H(CCO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5221 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name (H)C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5221 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5221 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5221 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5221 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5221 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5221 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 34 34 GLU N N 15 122.182 0.05 . 1 . . . . . . . . 5221 1 2 . 1 1 34 34 GLU H H 1 8.34 0.005 . 1 . . . . . . . . 5221 1 3 . 1 1 34 34 GLU CA C 13 56.7 0.05 . 1 . . . . . . . . 5221 1 4 . 1 1 34 34 GLU C C 13 176.362 0.05 . 1 . . . . . . . . 5221 1 5 . 1 1 34 34 GLU CB C 13 30.15 0.05 . 1 . . . . . . . . 5221 1 6 . 1 1 34 34 GLU HA H 1 4.246 0.005 . 1 . . . . . . . . 5221 1 7 . 1 1 34 34 GLU HB2 H 1 1.885 0.005 . 2 . . . . . . . . 5221 1 8 . 1 1 34 34 GLU HB3 H 1 2.016 0.005 . 2 . . . . . . . . 5221 1 9 . 1 1 34 34 GLU HG2 H 1 2.174 0.005 . 1 . . . . . . . . 5221 1 10 . 1 1 35 35 ASP N N 15 121.159 0.05 . 1 . . . . . . . . 5221 1 11 . 1 1 35 35 ASP H H 1 8.437 0.005 . 1 . . . . . . . . 5221 1 12 . 1 1 35 35 ASP CA C 13 54.219 0.05 . 1 . . . . . . . . 5221 1 13 . 1 1 35 35 ASP C C 13 176.606 0.05 . 1 . . . . . . . . 5221 1 14 . 1 1 35 35 ASP CB C 13 41.469 0.05 . 1 . . . . . . . . 5221 1 15 . 1 1 35 35 ASP HA H 1 4.665 0.005 . 1 . . . . . . . . 5221 1 16 . 1 1 35 35 ASP HB2 H 1 2.608 0.005 . 2 . . . . . . . . 5221 1 17 . 1 1 35 35 ASP HB3 H 1 2.701 0.005 . 2 . . . . . . . . 5221 1 18 . 1 1 36 36 GLY N N 15 108.816 0.05 . 1 . . . . . . . . 5221 1 19 . 1 1 36 36 GLY H H 1 8.112 0.005 . 1 . . . . . . . . 5221 1 20 . 1 1 36 36 GLY CA C 13 44.855 0.05 . 1 . . . . . . . . 5221 1 21 . 1 1 36 36 GLY HA2 H 1 4.108 0.005 . 1 . . . . . . . . 5221 1 22 . 1 1 69 69 PRO CA C 13 65.226 0.05 . 1 . . . . . . . . 5221 1 23 . 1 1 69 69 PRO C C 13 178.926 0.05 . 1 . . . . . . . . 5221 1 24 . 1 1 69 69 PRO CB C 13 31.168 0.05 . 1 . . . . . . . . 5221 1 25 . 1 1 69 69 PRO CG C 13 27.641 0.05 . 1 . . . . . . . . 5221 1 26 . 1 1 69 69 PRO HA H 1 4.222 0.005 . 1 . . . . . . . . 5221 1 27 . 1 1 70 70 ALA N N 15 120.431 0.05 . 1 . . . . . . . . 5221 1 28 . 1 1 70 70 ALA H H 1 8.22 0.005 . 1 . . . . . . . . 5221 1 29 . 1 1 70 70 ALA CA C 13 56.008 0.05 . 1 . . . . . . . . 5221 1 30 . 1 1 70 70 ALA C C 13 179.041 0.05 . 1 . . . . . . . . 5221 1 31 . 1 1 70 70 ALA CB C 13 18.459 0.05 . 1 . . . . . . . . 5221 1 32 . 1 1 70 70 ALA HA H 1 3.958 0.005 . 1 . . . . . . . . 5221 1 33 . 1 1 70 70 ALA HB1 H 1 1.517 0.005 . 1 . . . . . . . . 5221 1 34 . 1 1 70 70 ALA HB2 H 1 1.517 0.005 . 1 . . . . . . . . 5221 1 35 . 1 1 70 70 ALA HB3 H 1 1.517 0.005 . 1 . . . . . . . . 5221 1 36 . 1 1 71 71 GLU N N 15 116.52 0.05 . 1 . . . . . . . . 5221 1 37 . 1 1 71 71 GLU H H 1 7.553 0.005 . 1 . . . . . . . . 5221 1 38 . 1 1 71 71 GLU CA C 13 58.868 0.05 . 1 . . . . . . . . 5221 1 39 . 1 1 71 71 GLU C C 13 179.438 0.05 . 1 . . . . . . . . 5221 1 40 . 1 1 71 71 GLU CB C 13 29.485 0.05 . 1 . . . . . . . . 5221 1 41 . 1 1 71 71 GLU CG C 13 36.029 0.05 . 1 . . . . . . . . 5221 1 42 . 1 1 71 71 GLU HA H 1 4.112 0.005 . 1 . . . . . . . . 5221 1 43 . 1 1 71 71 GLU HB2 H 1 2.012 0.005 . 1 . . . . . . . . 5221 1 44 . 1 1 71 71 GLU HG2 H 1 2.347 0.005 . 1 . . . . . . . . 5221 1 45 . 1 1 72 72 ASN N N 15 116.71 0.05 . 1 . . . . . . . . 5221 1 46 . 1 1 72 72 ASN H H 1 8.308 0.005 . 1 . . . . . . . . 5221 1 47 . 1 1 72 72 ASN CA C 13 56.088 0.05 . 1 . . . . . . . . 5221 1 48 . 1 1 72 72 ASN C C 13 176.716 0.05 . 1 . . . . . . . . 5221 1 49 . 1 1 72 72 ASN CB C 13 39.3 0.05 . 1 . . . . . . . . 5221 1 50 . 1 1 72 72 ASN HA H 1 4.334 0.005 . 1 . . . . . . . . 5221 1 51 . 1 1 72 72 ASN HB2 H 1 2.867 0.005 . 1 . . . . . . . . 5221 1 52 . 1 1 73 73 PHE N N 15 118.556 0.05 . 1 . . . . . . . . 5221 1 53 . 1 1 73 73 PHE H H 1 8.155 0.005 . 1 . . . . . . . . 5221 1 54 . 1 1 73 73 PHE CA C 13 61.127 0.05 . 1 . . . . . . . . 5221 1 55 . 1 1 73 73 PHE C C 13 175.302 0.05 . 1 . . . . . . . . 5221 1 56 . 1 1 73 73 PHE CB C 13 39.436 0.05 . 1 . . . . . . . . 5221 1 57 . 1 1 73 73 PHE HA H 1 4.035 0.005 . 1 . . . . . . . . 5221 1 58 . 1 1 73 73 PHE HB2 H 1 3.131 0.005 . 2 . . . . . . . . 5221 1 59 . 1 1 73 73 PHE HB3 H 1 3.292 0.005 . 2 . . . . . . . . 5221 1 60 . 1 1 74 74 ARG N N 15 116.629 0.05 . 1 . . . . . . . . 5221 1 61 . 1 1 74 74 ARG H H 1 7.679 0.005 . 1 . . . . . . . . 5221 1 62 . 1 1 74 74 ARG CA C 13 60.438 0.05 . 1 . . . . . . . . 5221 1 63 . 1 1 74 74 ARG C C 13 178.957 0.05 . 1 . . . . . . . . 5221 1 64 . 1 1 74 74 ARG CB C 13 30.714 0.05 . 1 . . . . . . . . 5221 1 65 . 1 1 74 74 ARG CG C 13 29.329 0.05 . 1 . . . . . . . . 5221 1 66 . 1 1 74 74 ARG CD C 13 44.19 0.05 . 1 . . . . . . . . 5221 1 67 . 1 1 74 74 ARG HA H 1 3.393 0.005 . 1 . . . . . . . . 5221 1 68 . 1 1 74 74 ARG HB2 H 1 1.99 0.005 . 2 . . . . . . . . 5221 1 69 . 1 1 74 74 ARG HB3 H 1 2.229 0.005 . 2 . . . . . . . . 5221 1 70 . 1 1 74 74 ARG HG2 H 1 1.741 0.005 . 1 . . . . . . . . 5221 1 71 . 1 1 75 75 VAL N N 15 117.756 0.05 . 1 . . . . . . . . 5221 1 72 . 1 1 75 75 VAL H H 1 7.861 0.005 . 1 . . . . . . . . 5221 1 73 . 1 1 75 75 VAL CA C 13 66.58 0.05 . 1 . . . . . . . . 5221 1 74 . 1 1 75 75 VAL C C 13 178.198 0.05 . 1 . . . . . . . . 5221 1 75 . 1 1 75 75 VAL CB C 13 31.853 0.05 . 1 . . . . . . . . 5221 1 76 . 1 1 75 75 VAL CG1 C 13 21.047 0.05 . 2 . . . . . . . . 5221 1 77 . 1 1 75 75 VAL CG2 C 13 22.866 0.05 . 2 . . . . . . . . 5221 1 78 . 1 1 75 75 VAL HA H 1 3.575 0.005 . 1 . . . . . . . . 5221 1 79 . 1 1 75 75 VAL HB H 1 2.121 0.005 . 1 . . . . . . . . 5221 1 80 . 1 1 75 75 VAL HG11 H 1 0.876 0.005 . 2 . . . . . . . . 5221 1 81 . 1 1 75 75 VAL HG12 H 1 0.876 0.005 . 2 . . . . . . . . 5221 1 82 . 1 1 75 75 VAL HG13 H 1 0.876 0.005 . 2 . . . . . . . . 5221 1 83 . 1 1 75 75 VAL HG21 H 1 1.082 0.005 . 2 . . . . . . . . 5221 1 84 . 1 1 75 75 VAL HG22 H 1 1.082 0.005 . 2 . . . . . . . . 5221 1 85 . 1 1 75 75 VAL HG23 H 1 1.082 0.005 . 2 . . . . . . . . 5221 1 86 . 1 1 76 76 LEU N N 15 119.24 0.05 . 1 . . . . . . . . 5221 1 87 . 1 1 76 76 LEU H H 1 8.015 0.005 . 1 . . . . . . . . 5221 1 88 . 1 1 76 76 LEU CA C 13 58.427 0.05 . 1 . . . . . . . . 5221 1 89 . 1 1 76 76 LEU C C 13 180.2 0.05 . 1 . . . . . . . . 5221 1 90 . 1 1 76 76 LEU CB C 13 42.385 0.05 . 1 . . . . . . . . 5221 1 91 . 1 1 76 76 LEU CG C 13 25.49 0.05 . 1 . . . . . . . . 5221 1 92 . 1 1 76 76 LEU CD1 C 13 23.804 0.05 . 1 . . . . . . . . 5221 1 93 . 1 1 76 76 LEU HA H 1 3.76 0.005 . 1 . . . . . . . . 5221 1 94 . 1 1 76 76 LEU HB2 H 1 1.136 0.005 . 2 . . . . . . . . 5221 1 95 . 1 1 76 76 LEU HB3 H 1 1.675 0.005 . 2 . . . . . . . . 5221 1 96 . 1 1 76 76 LEU HD11 H 1 0.657 0.005 . 1 . . . . . . . . 5221 1 97 . 1 1 76 76 LEU HD12 H 1 0.657 0.005 . 1 . . . . . . . . 5221 1 98 . 1 1 76 76 LEU HD13 H 1 0.657 0.005 . 1 . . . . . . . . 5221 1 99 . 1 1 77 77 VAL N N 15 110.093 0.05 . 1 . . . . . . . . 5221 1 100 . 1 1 77 77 VAL H H 1 7.412 0.005 . 1 . . . . . . . . 5221 1 101 . 1 1 77 77 VAL CA C 13 64.344 0.05 . 1 . . . . . . . . 5221 1 102 . 1 1 77 77 VAL C C 13 179.069 0.05 . 1 . . . . . . . . 5221 1 103 . 1 1 77 77 VAL CB C 13 30.694 0.05 . 1 . . . . . . . . 5221 1 104 . 1 1 77 77 VAL CG1 C 13 19.505 0.05 . 2 . . . . . . . . 5221 1 105 . 1 1 77 77 VAL CG2 C 13 22.325 0.05 . 2 . . . . . . . . 5221 1 106 . 1 1 77 77 VAL HA H 1 3.789 0.005 . 1 . . . . . . . . 5221 1 107 . 1 1 78 78 LYS N N 15 121.041 0.05 . 1 . . . . . . . . 5221 1 108 . 1 1 78 78 LYS H H 1 7.963 0.005 . 1 . . . . . . . . 5221 1 109 . 1 1 78 78 LYS CA C 13 59.236 0.05 . 1 . . . . . . . . 5221 1 110 . 1 1 78 78 LYS C C 13 178.933 0.05 . 1 . . . . . . . . 5221 1 111 . 1 1 78 78 LYS CB C 13 32.684 0.05 . 1 . . . . . . . . 5221 1 112 . 1 1 78 78 LYS CG C 13 25.377 0.05 . 1 . . . . . . . . 5221 1 113 . 1 1 78 78 LYS CD C 13 29.329 0.05 . 1 . . . . . . . . 5221 1 114 . 1 1 78 78 LYS CE C 13 41.977 0.05 . 1 . . . . . . . . 5221 1 115 . 1 1 78 78 LYS HA H 1 4.213 0.005 . 1 . . . . . . . . 5221 1 116 . 1 1 78 78 LYS HB2 H 1 1.972 0.005 . 2 . . . . . . . . 5221 1 117 . 1 1 78 78 LYS HB3 H 1 2.011 0.005 . 2 . . . . . . . . 5221 1 118 . 1 1 78 78 LYS HD2 H 1 1.619 0.005 . 2 . . . . . . . . 5221 1 119 . 1 1 78 78 LYS HD3 H 1 1.737 0.005 . 2 . . . . . . . . 5221 1 120 . 1 1 79 79 GLN N N 15 114.663 0.05 . 1 . . . . . . . . 5221 1 121 . 1 1 79 79 GLN H H 1 8.04 0.005 . 1 . . . . . . . . 5221 1 122 . 1 1 79 79 GLN CA C 13 55.901 0.05 . 1 . . . . . . . . 5221 1 123 . 1 1 79 79 GLN C C 13 175.826 0.05 . 1 . . . . . . . . 5221 1 124 . 1 1 79 79 GLN CB C 13 28.481 0.05 . 1 . . . . . . . . 5221 1 125 . 1 1 79 79 GLN CG C 13 34.296 0.05 . 1 . . . . . . . . 5221 1 126 . 1 1 79 79 GLN HA H 1 4.317 0.005 . 1 . . . . . . . . 5221 1 127 . 1 1 79 79 GLN HG2 H 1 2.409 0.005 . 2 . . . . . . . . 5221 1 128 . 1 1 79 79 GLN HG3 H 1 2.574 0.005 . 2 . . . . . . . . 5221 1 129 . 1 1 80 80 LYS N N 15 115.519 0.05 . 1 . . . . . . . . 5221 1 130 . 1 1 80 80 LYS H H 1 7.69 0.005 . 1 . . . . . . . . 5221 1 131 . 1 1 80 80 LYS CA C 13 57.193 0.05 . 1 . . . . . . . . 5221 1 132 . 1 1 80 80 LYS C C 13 176.61 0.05 . 1 . . . . . . . . 5221 1 133 . 1 1 80 80 LYS CB C 13 29.606 0.05 . 1 . . . . . . . . 5221 1 134 . 1 1 80 80 LYS HA H 1 4.101 0.005 . 1 . . . . . . . . 5221 1 135 . 1 1 81 81 LYS C C 13 176.489 0.05 . 1 . . . . . . . . 5221 1 136 . 1 1 81 81 LYS CB C 13 33.141 0.05 . 1 . . . . . . . . 5221 1 137 . 1 1 81 81 LYS CA C 13 56.669 0.05 . 1 . . . . . . . . 5221 1 138 . 1 1 81 81 LYS CG C 13 25.32 0.05 . 1 . . . . . . . . 5221 1 139 . 1 1 81 81 LYS CD C 13 28.811 0.05 . 1 . . . . . . . . 5221 1 140 . 1 1 81 81 LYS CE C 13 42.092 0.05 . 1 . . . . . . . . 5221 1 141 . 1 1 81 81 LYS HA H 1 4.216 0.005 . 1 . . . . . . . . 5221 1 142 . 1 1 81 81 LYS HB2 H 1 1.67 0.005 . 2 . . . . . . . . 5221 1 143 . 1 1 81 81 LYS HB3 H 1 1.932 0.005 . 2 . . . . . . . . 5221 1 144 . 1 1 81 81 LYS HG2 H 1 1.372 0.005 . 2 . . . . . . . . 5221 1 145 . 1 1 81 81 LYS HG3 H 1 1.435 0.005 . 2 . . . . . . . . 5221 1 146 . 1 1 81 81 LYS HD3 H 1 1.655 0.005 . 1 . . . . . . . . 5221 1 147 . 1 1 82 82 ALA N N 15 119.813 0.05 . 1 . . . . . . . . 5221 1 148 . 1 1 82 82 ALA H H 1 7.674 0.005 . 1 . . . . . . . . 5221 1 149 . 1 1 82 82 ALA CA C 13 50.658 0.05 . 1 . . . . . . . . 5221 1 150 . 1 1 82 82 ALA C C 13 176.572 0.05 . 1 . . . . . . . . 5221 1 151 . 1 1 82 82 ALA CB C 13 21.954 0.05 . 1 . . . . . . . . 5221 1 152 . 1 1 82 82 ALA HA H 1 4.432 0.005 . 1 . . . . . . . . 5221 1 153 . 1 1 82 82 ALA HB1 H 1 1.227 0.005 . 1 . . . . . . . . 5221 1 154 . 1 1 82 82 ALA HB2 H 1 1.227 0.005 . 1 . . . . . . . . 5221 1 155 . 1 1 82 82 ALA HB3 H 1 1.227 0.005 . 1 . . . . . . . . 5221 1 156 . 1 1 83 83 SER N N 15 115.806 0.05 . 1 . . . . . . . . 5221 1 157 . 1 1 83 83 SER H H 1 8.662 0.005 . 1 . . . . . . . . 5221 1 158 . 1 1 83 83 SER CA C 13 57.185 0.05 . 1 . . . . . . . . 5221 1 159 . 1 1 83 83 SER C C 13 174.422 0.05 . 1 . . . . . . . . 5221 1 160 . 1 1 83 83 SER CB C 13 64.135 0.05 . 1 . . . . . . . . 5221 1 161 . 1 1 83 83 SER HA H 1 4.411 0.005 . 1 . . . . . . . . 5221 1 162 . 1 1 84 84 PHE CA C 13 62.26 0.05 . 1 . . . . . . . . 5221 1 163 . 1 1 84 84 PHE C C 13 179.803 0.05 . 1 . . . . . . . . 5221 1 164 . 1 1 84 84 PHE CB C 13 38.896 0.05 . 1 . . . . . . . . 5221 1 165 . 1 1 84 84 PHE HA H 1 3.627 0.005 . 1 . . . . . . . . 5221 1 166 . 1 1 85 85 GLU N N 15 121.389 0.05 . 1 . . . . . . . . 5221 1 167 . 1 1 85 85 GLU H H 1 9.2 0.005 . 1 . . . . . . . . 5221 1 168 . 1 1 85 85 GLU CA C 13 60.534 0.05 . 1 . . . . . . . . 5221 1 169 . 1 1 85 85 GLU C C 13 176.756 0.05 . 1 . . . . . . . . 5221 1 170 . 1 1 85 85 GLU CB C 13 30.116 0.05 . 1 . . . . . . . . 5221 1 171 . 1 1 85 85 GLU CG C 13 35.673 0.05 . 1 . . . . . . . . 5221 1 172 . 1 1 85 85 GLU HA H 1 3.656 0.005 . 1 . . . . . . . . 5221 1 173 . 1 1 85 85 GLU HB2 H 1 2.117 0.005 . 2 . . . . . . . . 5221 1 174 . 1 1 85 85 GLU HB3 H 1 2.175 0.005 . 2 . . . . . . . . 5221 1 175 . 1 1 86 86 GLU N N 15 119.598 0.05 . 1 . . . . . . . . 5221 1 176 . 1 1 86 86 GLU H H 1 7.951 0.005 . 1 . . . . . . . . 5221 1 177 . 1 1 86 86 GLU CA C 13 59.214 0.05 . 1 . . . . . . . . 5221 1 178 . 1 1 86 86 GLU C C 13 179.583 0.05 . 1 . . . . . . . . 5221 1 179 . 1 1 86 86 GLU CB C 13 29.606 0.05 . 1 . . . . . . . . 5221 1 180 . 1 1 86 86 GLU CG C 13 36.06 0.05 . 1 . . . . . . . . 5221 1 181 . 1 1 86 86 GLU HA H 1 4.003 0.005 . 1 . . . . . . . . 5221 1 182 . 1 1 86 86 GLU HB2 H 1 1.941 0.005 . 2 . . . . . . . . 5221 1 183 . 1 1 86 86 GLU HB3 H 1 2.118 0.005 . 2 . . . . . . . . 5221 1 184 . 1 1 86 86 GLU HG2 H 1 2.242 0.005 . 1 . . . . . . . . 5221 1 185 . 1 1 87 87 ALA N N 15 120.395 0.05 . 1 . . . . . . . . 5221 1 186 . 1 1 87 87 ALA H H 1 8.558 0.005 . 1 . . . . . . . . 5221 1 187 . 1 1 87 87 ALA CA C 13 54.819 0.05 . 1 . . . . . . . . 5221 1 188 . 1 1 87 87 ALA C C 13 180.735 0.05 . 1 . . . . . . . . 5221 1 189 . 1 1 87 87 ALA CB C 13 18.834 0.05 . 1 . . . . . . . . 5221 1 190 . 1 1 87 87 ALA HA H 1 3.859 0.005 . 1 . . . . . . . . 5221 1 191 . 1 1 87 87 ALA HB1 H 1 1.106 0.005 . 1 . . . . . . . . 5221 1 192 . 1 1 87 87 ALA HB2 H 1 1.106 0.005 . 1 . . . . . . . . 5221 1 193 . 1 1 87 87 ALA HB3 H 1 1.106 0.005 . 1 . . . . . . . . 5221 1 194 . 1 1 88 88 SER N N 15 113.5 0.05 . 1 . . . . . . . . 5221 1 195 . 1 1 88 88 SER H H 1 8.677 0.005 . 1 . . . . . . . . 5221 1 196 . 1 1 88 88 SER CA C 13 61.802 0.05 . 1 . . . . . . . . 5221 1 197 . 1 1 88 88 SER C C 13 175.667 0.05 . 1 . . . . . . . . 5221 1 198 . 1 1 88 88 SER CB C 13 63.13 0.05 . 1 . . . . . . . . 5221 1 199 . 1 1 88 88 SER HA H 1 4.407 0.005 . 1 . . . . . . . . 5221 1 200 . 1 1 88 88 SER HB2 H 1 3.111 0.005 . 2 . . . . . . . . 5221 1 201 . 1 1 88 88 SER HB3 H 1 3.359 0.005 . 2 . . . . . . . . 5221 1 202 . 1 1 89 89 ASN N N 15 123.339 0.05 . 1 . . . . . . . . 5221 1 203 . 1 1 89 89 ASN H H 1 8.214 0.005 . 1 . . . . . . . . 5221 1 204 . 1 1 89 89 ASN CA C 13 55.932 0.05 . 1 . . . . . . . . 5221 1 205 . 1 1 89 89 ASN C C 13 178.809 0.05 . 1 . . . . . . . . 5221 1 206 . 1 1 89 89 ASN CB C 13 37.143 0.05 . 1 . . . . . . . . 5221 1 207 . 1 1 89 89 ASN HA H 1 4.393 0.005 . 1 . . . . . . . . 5221 1 208 . 1 1 89 89 ASN HB2 H 1 2.705 0.005 . 2 . . . . . . . . 5221 1 209 . 1 1 89 89 ASN HB3 H 1 2.963 0.005 . 2 . . . . . . . . 5221 1 210 . 1 1 90 90 GLN N N 15 119.297 0.05 . 1 . . . . . . . . 5221 1 211 . 1 1 90 90 GLN H H 1 7.593 0.005 . 1 . . . . . . . . 5221 1 212 . 1 1 90 90 GLN CA C 13 58.652 0.05 . 1 . . . . . . . . 5221 1 213 . 1 1 90 90 GLN C C 13 178.643 0.05 . 1 . . . . . . . . 5221 1 214 . 1 1 90 90 GLN CB C 13 28.752 0.05 . 1 . . . . . . . . 5221 1 215 . 1 1 90 90 GLN HA H 1 3.98 0.005 . 1 . . . . . . . . 5221 1 216 . 1 1 90 90 GLN CG C 13 33.643 0.05 . 1 . . . . . . . . 5221 1 217 . 1 1 91 91 LEU N N 15 121.142 0.05 . 1 . . . . . . . . 5221 1 218 . 1 1 91 91 LEU H H 1 7.667 0.005 . 1 . . . . . . . . 5221 1 219 . 1 1 91 91 LEU CA C 13 58.284 0.05 . 1 . . . . . . . . 5221 1 220 . 1 1 91 91 LEU C C 13 178.597 0.05 . 1 . . . . . . . . 5221 1 221 . 1 1 91 91 LEU CB C 13 42.385 0.05 . 1 . . . . . . . . 5221 1 222 . 1 1 91 91 LEU HA H 1 3.936 0.005 . 1 . . . . . . . . 5221 1 223 . 1 1 91 91 LEU CD1 C 13 24.075 0.05 . 1 . . . . . . . . 5221 1 224 . 1 1 91 91 LEU HG H 1 1.423 0.005 . 1 . . . . . . . . 5221 1 225 . 1 1 91 91 LEU HD11 H 1 -0.23 0.005 . 2 . . . . . . . . 5221 1 226 . 1 1 91 91 LEU HD12 H 1 -0.23 0.005 . 2 . . . . . . . . 5221 1 227 . 1 1 91 91 LEU HD13 H 1 -0.23 0.005 . 2 . . . . . . . . 5221 1 228 . 1 1 91 91 LEU HD21 H 1 0.676 0.005 . 2 . . . . . . . . 5221 1 229 . 1 1 91 91 LEU HD22 H 1 0.676 0.005 . 2 . . . . . . . . 5221 1 230 . 1 1 91 91 LEU HD23 H 1 0.676 0.005 . 2 . . . . . . . . 5221 1 231 . 1 1 91 91 LEU HB2 H 1 1.45 0.005 . 1 . . . . . . . . 5221 1 232 . 1 1 92 92 ILE N N 15 119.324 0.05 . 1 . . . . . . . . 5221 1 233 . 1 1 92 92 ILE H H 1 8.518 0.005 . 1 . . . . . . . . 5221 1 234 . 1 1 92 92 ILE CA C 13 66.123 0.05 . 1 . . . . . . . . 5221 1 235 . 1 1 92 92 ILE C C 13 177.505 0.05 . 1 . . . . . . . . 5221 1 236 . 1 1 92 92 ILE CB C 13 38.005 0.05 . 1 . . . . . . . . 5221 1 237 . 1 1 92 92 ILE CG1 C 13 29.078 0.05 . 1 . . . . . . . . 5221 1 238 . 1 1 92 92 ILE CG2 C 13 16.83 0.05 . 1 . . . . . . . . 5221 1 239 . 1 1 92 92 ILE CD1 C 13 13.685 0.05 . 1 . . . . . . . . 5221 1 240 . 1 1 92 92 ILE HA H 1 3.264 0.005 . 1 . . . . . . . . 5221 1 241 . 1 1 92 92 ILE HB H 1 1.728 0.005 . 1 . . . . . . . . 5221 1 242 . 1 1 92 92 ILE HG21 H 1 0.932 0.005 . 1 . . . . . . . . 5221 1 243 . 1 1 92 92 ILE HG22 H 1 0.932 0.005 . 1 . . . . . . . . 5221 1 244 . 1 1 92 92 ILE HG23 H 1 0.932 0.005 . 1 . . . . . . . . 5221 1 245 . 1 1 92 92 ILE HD11 H 1 0.781 0.005 . 1 . . . . . . . . 5221 1 246 . 1 1 92 92 ILE HD12 H 1 0.781 0.005 . 1 . . . . . . . . 5221 1 247 . 1 1 92 92 ILE HD13 H 1 0.781 0.005 . 1 . . . . . . . . 5221 1 248 . 1 1 93 93 ASN N N 15 117.456 0.05 . 1 . . . . . . . . 5221 1 249 . 1 1 93 93 ASN H H 1 7.436 0.005 . 1 . . . . . . . . 5221 1 250 . 1 1 93 93 ASN CA C 13 56.486 0.05 . 1 . . . . . . . . 5221 1 251 . 1 1 93 93 ASN C C 13 178.427 0.05 . 1 . . . . . . . . 5221 1 252 . 1 1 93 93 ASN CB C 13 37.988 0.05 . 1 . . . . . . . . 5221 1 253 . 1 1 93 93 ASN HA H 1 4.358 0.005 . 1 . . . . . . . . 5221 1 254 . 1 1 93 93 ASN HB2 H 1 2.593 0.005 . 2 . . . . . . . . 5221 1 255 . 1 1 93 93 ASN HB3 H 1 2.698 0.005 . 2 . . . . . . . . 5221 1 256 . 1 1 94 94 HIS N N 15 118.071 0.05 . 1 . . . . . . . . 5221 1 257 . 1 1 94 94 HIS H H 1 7.447 0.005 . 1 . . . . . . . . 5221 1 258 . 1 1 94 94 HIS CA C 13 60.213 0.05 . 1 . . . . . . . . 5221 1 259 . 1 1 94 94 HIS C C 13 176.913 0.05 . 1 . . . . . . . . 5221 1 260 . 1 1 94 94 HIS CB C 13 29.807 0.05 . 1 . . . . . . . . 5221 1 261 . 1 1 94 94 HIS HA H 1 3.975 0.005 . 1 . . . . . . . . 5221 1 262 . 1 1 94 94 HIS HB2 H 1 3.036 0.005 . 1 . . . . . . . . 5221 1 263 . 1 1 95 95 ILE N N 15 118.633 0.05 . 1 . . . . . . . . 5221 1 264 . 1 1 95 95 ILE H H 1 8.295 0.005 . 1 . . . . . . . . 5221 1 265 . 1 1 95 95 ILE CA C 13 66.44 0.05 . 1 . . . . . . . . 5221 1 266 . 1 1 95 95 ILE C C 13 177.814 0.05 . 1 . . . . . . . . 5221 1 267 . 1 1 95 95 ILE CB C 13 38.051 0.05 . 1 . . . . . . . . 5221 1 268 . 1 1 95 95 ILE CG1 C 13 29.978 0.05 . 1 . . . . . . . . 5221 1 269 . 1 1 95 95 ILE CG2 C 13 16.438 0.05 . 1 . . . . . . . . 5221 1 270 . 1 1 95 95 ILE CD1 C 13 14.615 0.05 . 1 . . . . . . . . 5221 1 271 . 1 1 95 95 ILE HA H 1 3.607 0.005 . 1 . . . . . . . . 5221 1 272 . 1 1 95 95 ILE HB H 1 2.166 0.005 . 1 . . . . . . . . 5221 1 273 . 1 1 96 96 GLU N N 15 117.095 0.05 . 1 . . . . . . . . 5221 1 274 . 1 1 96 96 GLU H H 1 8.392 0.005 . 1 . . . . . . . . 5221 1 275 . 1 1 96 96 GLU CA C 13 60.581 0.05 . 1 . . . . . . . . 5221 1 276 . 1 1 96 96 GLU C C 13 179.166 0.05 . 1 . . . . . . . . 5221 1 277 . 1 1 96 96 GLU CB C 13 29.314 0.05 . 1 . . . . . . . . 5221 1 278 . 1 1 96 96 GLU CG C 13 37.195 0.05 . 1 . . . . . . . . 5221 1 279 . 1 1 96 96 GLU HA H 1 3.766 0.005 . 1 . . . . . . . . 5221 1 280 . 1 1 96 96 GLU HB2 H 1 2.012 0.005 . 2 . . . . . . . . 5221 1 281 . 1 1 96 96 GLU HB3 H 1 2.122 0.005 . 2 . . . . . . . . 5221 1 282 . 1 1 96 96 GLU HG2 H 1 2.548 0.005 . 1 . . . . . . . . 5221 1 283 . 1 1 97 97 GLN N N 15 118.34 0.05 . 1 . . . . . . . . 5221 1 284 . 1 1 97 97 GLN H H 1 7.606 0.005 . 1 . . . . . . . . 5221 1 285 . 1 1 97 97 GLN CA C 13 59.036 0.05 . 1 . . . . . . . . 5221 1 286 . 1 1 97 97 GLN C C 13 180.148 0.05 . 1 . . . . . . . . 5221 1 287 . 1 1 97 97 GLN CB C 13 28.31 0.05 . 1 . . . . . . . . 5221 1 288 . 1 1 97 97 GLN CG C 13 34.201 0.05 . 1 . . . . . . . . 5221 1 289 . 1 1 97 97 GLN HA H 1 4.047 0.005 . 1 . . . . . . . . 5221 1 290 . 1 1 97 97 GLN HG2 H 1 2.301 0.005 . 2 . . . . . . . . 5221 1 291 . 1 1 97 97 GLN HG3 H 1 2.476 0.005 . 2 . . . . . . . . 5221 1 292 . 1 1 97 97 GLN HB2 H 1 2.05 0.005 . 1 . . . . . . . . 5221 1 293 . 1 1 98 98 PHE N N 15 119.55 0.05 . 1 . . . . . . . . 5221 1 294 . 1 1 98 98 PHE H H 1 8.688 0.005 . 1 . . . . . . . . 5221 1 295 . 1 1 98 98 PHE CA C 13 57.19 0.05 . 1 . . . . . . . . 5221 1 296 . 1 1 98 98 PHE C C 13 180.091 0.05 . 1 . . . . . . . . 5221 1 297 . 1 1 98 98 PHE CB C 13 37.094 0.05 . 1 . . . . . . . . 5221 1 298 . 1 1 98 98 PHE HA H 1 4.558 0.005 . 1 . . . . . . . . 5221 1 299 . 1 1 98 98 PHE HB2 H 1 3.401 0.005 . 2 . . . . . . . . 5221 1 300 . 1 1 98 98 PHE HB3 H 1 3.783 0.005 . 2 . . . . . . . . 5221 1 301 . 1 1 99 99 LEU N N 15 121.01 0.05 . 1 . . . . . . . . 5221 1 302 . 1 1 99 99 LEU H H 1 8.667 0.005 . 1 . . . . . . . . 5221 1 303 . 1 1 99 99 LEU CA C 13 58.131 0.05 . 1 . . . . . . . . 5221 1 304 . 1 1 99 99 LEU C C 13 179.703 0.05 . 1 . . . . . . . . 5221 1 305 . 1 1 99 99 LEU CB C 13 40.858 0.05 . 1 . . . . . . . . 5221 1 306 . 1 1 99 99 LEU CG C 13 25.203 0.05 . 1 . . . . . . . . 5221 1 307 . 1 1 99 99 LEU CD1 C 13 21.847 0.05 . 1 . . . . . . . . 5221 1 308 . 1 1 99 99 LEU HA H 1 4.116 0.005 . 1 . . . . . . . . 5221 1 309 . 1 1 99 99 LEU HB2 H 1 1.315 0.005 . 2 . . . . . . . . 5221 1 310 . 1 1 99 99 LEU HB3 H 1 1.832 0.005 . 2 . . . . . . . . 5221 1 311 . 1 1 99 99 LEU HG H 1 0.416 0.005 . 1 . . . . . . . . 5221 1 312 . 1 1 99 99 LEU HD11 H 1 -0.017 0.005 . 1 . . . . . . . . 5221 1 313 . 1 1 99 99 LEU HD12 H 1 -0.017 0.005 . 1 . . . . . . . . 5221 1 314 . 1 1 99 99 LEU HD13 H 1 -0.017 0.005 . 1 . . . . . . . . 5221 1 315 . 1 1 100 100 ASP N N 15 117.674 0.05 . 1 . . . . . . . . 5221 1 316 . 1 1 100 100 ASP H H 1 7.664 0.005 . 1 . . . . . . . . 5221 1 317 . 1 1 100 100 ASP CA C 13 56.187 0.05 . 1 . . . . . . . . 5221 1 318 . 1 1 100 100 ASP C C 13 178.088 0.05 . 1 . . . . . . . . 5221 1 319 . 1 1 100 100 ASP CB C 13 40.753 0.05 . 1 . . . . . . . . 5221 1 320 . 1 1 100 100 ASP HA H 1 4.587 0.005 . 1 . . . . . . . . 5221 1 321 . 1 1 100 100 ASP HB2 H 1 2.719 0.005 . 2 . . . . . . . . 5221 1 322 . 1 1 100 100 ASP HB3 H 1 2.779 0.005 . 2 . . . . . . . . 5221 1 323 . 1 1 101 101 THR N N 15 108.815 0.05 . 1 . . . . . . . . 5221 1 324 . 1 1 101 101 THR H H 1 7.392 0.005 . 1 . . . . . . . . 5221 1 325 . 1 1 101 101 THR CA C 13 64.277 0.05 . 1 . . . . . . . . 5221 1 326 . 1 1 101 101 THR C C 13 176.779 0.05 . 1 . . . . . . . . 5221 1 327 . 1 1 101 101 THR CB C 13 70.218 0.05 . 1 . . . . . . . . 5221 1 328 . 1 1 101 101 THR HA H 1 4.062 0.005 . 1 . . . . . . . . 5221 1 329 . 1 1 101 101 THR HB H 1 4.045 0.005 . 1 . . . . . . . . 5221 1 330 . 1 1 102 102 ASN N N 15 114.795 0.05 . 1 . . . . . . . . 5221 1 331 . 1 1 102 102 ASN H H 1 7.905 0.005 . 1 . . . . . . . . 5221 1 332 . 1 1 102 102 ASN CA C 13 54.494 0.05 . 1 . . . . . . . . 5221 1 333 . 1 1 102 102 ASN C C 13 174.484 0.05 . 1 . . . . . . . . 5221 1 334 . 1 1 102 102 ASN CB C 13 38.914 0.05 . 1 . . . . . . . . 5221 1 335 . 1 1 102 102 ASN HA H 1 4.622 0.005 . 1 . . . . . . . . 5221 1 336 . 1 1 102 102 ASN HB2 H 1 2.697 0.005 . 2 . . . . . . . . 5221 1 337 . 1 1 102 102 ASN HB3 H 1 3.389 0.005 . 2 . . . . . . . . 5221 1 338 . 1 1 103 103 GLU N N 15 116.416 0.05 . 1 . . . . . . . . 5221 1 339 . 1 1 103 103 GLU H H 1 7.436 0.005 . 1 . . . . . . . . 5221 1 340 . 1 1 103 103 GLU CA C 13 54.696 0.05 . 1 . . . . . . . . 5221 1 341 . 1 1 103 103 GLU C C 13 176.907 0.05 . 1 . . . . . . . . 5221 1 342 . 1 1 103 103 GLU CB C 13 33.141 0.05 . 1 . . . . . . . . 5221 1 343 . 1 1 103 103 GLU HA H 1 4.611 0.005 . 1 . . . . . . . . 5221 1 344 . 1 1 103 103 GLU HB2 H 1 2.075 0.005 . 1 . . . . . . . . 5221 1 345 . 1 1 105 105 PRO CA C 13 66.327 0.05 . 1 . . . . . . . . 5221 1 346 . 1 1 105 105 PRO C C 13 180.217 0.05 . 1 . . . . . . . . 5221 1 347 . 1 1 105 105 PRO CB C 13 30.909 0.05 . 1 . . . . . . . . 5221 1 348 . 1 1 105 105 PRO CG C 13 28.473 0.05 . 1 . . . . . . . . 5221 1 349 . 1 1 105 105 PRO HA H 1 4.271 0.005 . 1 . . . . . . . . 5221 1 350 . 1 1 105 105 PRO HB2 H 1 1.945 0.005 . 1 . . . . . . . . 5221 1 351 . 1 1 106 106 TYR N N 15 115.216 0.05 . 1 . . . . . . . . 5221 1 352 . 1 1 106 106 TYR H H 1 6.988 0.005 . 1 . . . . . . . . 5221 1 353 . 1 1 106 106 TYR CA C 13 61.594 0.05 . 1 . . . . . . . . 5221 1 354 . 1 1 106 106 TYR C C 13 179.887 0.05 . 1 . . . . . . . . 5221 1 355 . 1 1 106 106 TYR CB C 13 37.833 0.05 . 1 . . . . . . . . 5221 1 356 . 1 1 106 106 TYR HA H 1 4.025 0.005 . 1 . . . . . . . . 5221 1 357 . 1 1 106 106 TYR HB2 H 1 3.088 0.005 . 1 . . . . . . . . 5221 1 358 . 1 1 107 107 PHE N N 15 123.972 0.05 . 1 . . . . . . . . 5221 1 359 . 1 1 107 107 PHE H H 1 8.364 0.005 . 1 . . . . . . . . 5221 1 360 . 1 1 107 107 PHE CA C 13 57.821 0.05 . 1 . . . . . . . . 5221 1 361 . 1 1 107 107 PHE C C 13 179.449 0.05 . 1 . . . . . . . . 5221 1 362 . 1 1 107 107 PHE CB C 13 36.605 0.05 . 1 . . . . . . . . 5221 1 363 . 1 1 107 107 PHE HA H 1 4.74 0.005 . 1 . . . . . . . . 5221 1 364 . 1 1 107 107 PHE HB2 H 1 3.424 0.005 . 2 . . . . . . . . 5221 1 365 . 1 1 107 107 PHE HB3 H 1 3.997 0.005 . 2 . . . . . . . . 5221 1 366 . 1 1 108 108 MET N N 15 117.319 0.05 . 1 . . . . . . . . 5221 1 367 . 1 1 108 108 MET H H 1 8.406 0.005 . 1 . . . . . . . . 5221 1 368 . 1 1 108 108 MET CA C 13 57.628 0.05 . 1 . . . . . . . . 5221 1 369 . 1 1 108 108 MET C C 13 179.979 0.05 . 1 . . . . . . . . 5221 1 370 . 1 1 108 108 MET CB C 13 29.62 0.05 . 1 . . . . . . . . 5221 1 371 . 1 1 108 108 MET CG C 13 31.6 0.05 . 1 . . . . . . . . 5221 1 372 . 1 1 108 108 MET HA H 1 4.49 0.005 . 1 . . . . . . . . 5221 1 373 . 1 1 108 108 MET HB2 H 1 2.214 0.005 . 1 . . . . . . . . 5221 1 374 . 1 1 108 108 MET HG2 H 1 2.822 0.005 . 1 . . . . . . . . 5221 1 375 . 1 1 109 109 LYS N N 15 120.774 0.05 . 1 . . . . . . . . 5221 1 376 . 1 1 109 109 LYS H H 1 7.637 0.005 . 1 . . . . . . . . 5221 1 377 . 1 1 109 109 LYS CA C 13 59.714 0.05 . 1 . . . . . . . . 5221 1 378 . 1 1 109 109 LYS C C 13 180.303 0.05 . 1 . . . . . . . . 5221 1 379 . 1 1 109 109 LYS CB C 13 32.75 0.05 . 1 . . . . . . . . 5221 1 380 . 1 1 109 109 LYS CG C 13 25.17 0.05 . 1 . . . . . . . . 5221 1 381 . 1 1 109 109 LYS CD C 13 29.478 0.05 . 1 . . . . . . . . 5221 1 382 . 1 1 109 109 LYS CE C 13 41.777 0.05 . 1 . . . . . . . . 5221 1 383 . 1 1 109 109 LYS HA H 1 4.28 0.005 . 1 . . . . . . . . 5221 1 384 . 1 1 109 109 LYS HB2 H 1 1.497 0.005 . 2 . . . . . . . . 5221 1 385 . 1 1 109 109 LYS HB3 H 1 1.592 0.005 . 2 . . . . . . . . 5221 1 386 . 1 1 109 109 LYS HG2 H 1 1.122 0.005 . 2 . . . . . . . . 5221 1 387 . 1 1 109 109 LYS HG3 H 1 1.306 0.005 . 2 . . . . . . . . 5221 1 388 . 1 1 110 110 SER N N 15 116.374 0.05 . 1 . . . . . . . . 5221 1 389 . 1 1 110 110 SER H H 1 8.275 0.005 . 1 . . . . . . . . 5221 1 390 . 1 1 110 110 SER C C 13 176.71 0.05 . 1 . . . . . . . . 5221 1 391 . 1 1 110 110 SER CB C 13 64.512 0.05 . 1 . . . . . . . . 5221 1 392 . 1 1 110 110 SER HA H 1 4.436 0.005 . 1 . . . . . . . . 5221 1 393 . 1 1 111 111 ILE N N 15 123.599 0.05 . 1 . . . . . . . . 5221 1 394 . 1 1 111 111 ILE H H 1 8.237 0.005 . 1 . . . . . . . . 5221 1 395 . 1 1 111 111 ILE CA C 13 64.019 0.05 . 1 . . . . . . . . 5221 1 396 . 1 1 111 111 ILE C C 13 177.964 0.05 . 1 . . . . . . . . 5221 1 397 . 1 1 111 111 ILE CB C 13 35.588 0.05 . 1 . . . . . . . . 5221 1 398 . 1 1 111 111 ILE CG2 C 13 16.993 0.05 . 1 . . . . . . . . 5221 1 399 . 1 1 111 111 ILE CD1 C 13 11.12 0.05 . 1 . . . . . . . . 5221 1 400 . 1 1 111 111 ILE HA H 1 3.908 0.005 . 1 . . . . . . . . 5221 1 401 . 1 1 111 111 ILE HB H 1 2.427 0.005 . 1 . . . . . . . . 5221 1 402 . 1 1 111 111 ILE HG21 H 1 0.947 0.005 . 1 . . . . . . . . 5221 1 403 . 1 1 111 111 ILE HG22 H 1 0.947 0.005 . 1 . . . . . . . . 5221 1 404 . 1 1 111 111 ILE HG23 H 1 0.947 0.005 . 1 . . . . . . . . 5221 1 405 . 1 1 111 111 ILE HD11 H 1 0.586 0.005 . 1 . . . . . . . . 5221 1 406 . 1 1 111 111 ILE HD12 H 1 0.586 0.005 . 1 . . . . . . . . 5221 1 407 . 1 1 111 111 ILE HD13 H 1 0.586 0.005 . 1 . . . . . . . . 5221 1 408 . 1 1 112 112 ASP N N 15 120.568 0.05 . 1 . . . . . . . . 5221 1 409 . 1 1 112 112 ASP H H 1 7.794 0.005 . 1 . . . . . . . . 5221 1 410 . 1 1 112 112 ASP CA C 13 58.071 0.05 . 1 . . . . . . . . 5221 1 411 . 1 1 112 112 ASP C C 13 180.3 0.05 . 1 . . . . . . . . 5221 1 412 . 1 1 112 112 ASP CB C 13 40.396 0.05 . 1 . . . . . . . . 5221 1 413 . 1 1 112 112 ASP HA H 1 4.499 0.005 . 1 . . . . . . . . 5221 1 414 . 1 1 112 112 ASP HB2 H 1 2.811 0.005 . 2 . . . . . . . . 5221 1 415 . 1 1 112 112 ASP HB3 H 1 3.073 0.005 . 2 . . . . . . . . 5221 1 416 . 1 1 113 113 CYS N N 15 116.444 0.05 . 1 . . . . . . . . 5221 1 417 . 1 1 113 113 CYS H H 1 7.943 0.005 . 1 . . . . . . . . 5221 1 418 . 1 1 113 113 CYS CA C 13 64.521 0.05 . 1 . . . . . . . . 5221 1 419 . 1 1 113 113 CYS C C 13 176.323 0.05 . 1 . . . . . . . . 5221 1 420 . 1 1 113 113 CYS CB C 13 27.975 0.05 . 1 . . . . . . . . 5221 1 421 . 1 1 113 113 CYS HA H 1 4.088 0.005 . 1 . . . . . . . . 5221 1 422 . 1 1 114 114 ILE N N 15 121.631 0.05 . 1 . . . . . . . . 5221 1 423 . 1 1 114 114 ILE H H 1 8.851 0.005 . 1 . . . . . . . . 5221 1 424 . 1 1 114 114 ILE CA C 13 67.009 0.05 . 1 . . . . . . . . 5221 1 425 . 1 1 114 114 ILE C C 13 177.72 0.05 . 1 . . . . . . . . 5221 1 426 . 1 1 114 114 ILE CB C 13 38.306 0.05 . 1 . . . . . . . . 5221 1 427 . 1 1 114 114 ILE CG1 C 13 30.616 0.05 . 1 . . . . . . . . 5221 1 428 . 1 1 114 114 ILE CG2 C 13 18.979 0.05 . 1 . . . . . . . . 5221 1 429 . 1 1 114 114 ILE CD1 C 13 13.76 0.05 . 1 . . . . . . . . 5221 1 430 . 1 1 114 114 ILE HA H 1 3.789 0.005 . 1 . . . . . . . . 5221 1 431 . 1 1 114 114 ILE HB H 1 2.226 0.005 . 1 . . . . . . . . 5221 1 432 . 1 1 114 114 ILE HG21 H 1 1.155 0.005 . 1 . . . . . . . . 5221 1 433 . 1 1 114 114 ILE HG22 H 1 1.155 0.005 . 1 . . . . . . . . 5221 1 434 . 1 1 114 114 ILE HG23 H 1 1.155 0.005 . 1 . . . . . . . . 5221 1 435 . 1 1 114 114 ILE HG12 H 1 1.345 0.005 . 1 . . . . . . . . 5221 1 436 . 1 1 115 115 ARG N N 15 119.56 0.05 . 1 . . . . . . . . 5221 1 437 . 1 1 115 115 ARG H H 1 8.917 0.005 . 1 . . . . . . . . 5221 1 438 . 1 1 115 115 ARG CA C 13 60.548 0.05 . 1 . . . . . . . . 5221 1 439 . 1 1 115 115 ARG C C 13 178.848 0.05 . 1 . . . . . . . . 5221 1 440 . 1 1 115 115 ARG CB C 13 30.595 0.05 . 1 . . . . . . . . 5221 1 441 . 1 1 115 115 ARG CG C 13 28.383 0.05 . 1 . . . . . . . . 5221 1 442 . 1 1 115 115 ARG CD C 13 43.645 0.05 . 1 . . . . . . . . 5221 1 443 . 1 1 115 115 ARG HA H 1 3.902 0.005 . 1 . . . . . . . . 5221 1 444 . 1 1 115 115 ARG HB2 H 1 1.933 0.005 . 1 . . . . . . . . 5221 1 445 . 1 1 115 115 ARG HG2 H 1 1.594 0.005 . 1 . . . . . . . . 5221 1 446 . 1 1 115 115 ARG HD2 H 1 3.246 0.005 . 1 . . . . . . . . 5221 1 447 . 1 1 116 116 ALA N N 15 120.74 0.05 . 1 . . . . . . . . 5221 1 448 . 1 1 116 116 ALA H H 1 7.783 0.005 . 1 . . . . . . . . 5221 1 449 . 1 1 116 116 ALA CA C 13 55.614 0.05 . 1 . . . . . . . . 5221 1 450 . 1 1 116 116 ALA C C 13 179.322 0.05 . 1 . . . . . . . . 5221 1 451 . 1 1 116 116 ALA CB C 13 18.591 0.05 . 1 . . . . . . . . 5221 1 452 . 1 1 116 116 ALA HA H 1 4.296 0.005 . 1 . . . . . . . . 5221 1 453 . 1 1 117 117 PHE N N 15 117.998 0.05 . 1 . . . . . . . . 5221 1 454 . 1 1 117 117 PHE H H 1 8.206 0.005 . 1 . . . . . . . . 5221 1 455 . 1 1 117 117 PHE CA C 13 57.392 0.05 . 1 . . . . . . . . 5221 1 456 . 1 1 117 117 PHE C C 13 177.523 0.05 . 1 . . . . . . . . 5221 1 457 . 1 1 117 117 PHE CB C 13 38.005 0.05 . 1 . . . . . . . . 5221 1 458 . 1 1 117 117 PHE HA H 1 4.541 0.005 . 1 . . . . . . . . 5221 1 459 . 1 1 117 117 PHE HB2 H 1 3.076 0.005 . 1 . . . . . . . . 5221 1 460 . 1 1 118 118 ARG N N 15 120.595 0.05 . 1 . . . . . . . . 5221 1 461 . 1 1 118 118 ARG H H 1 8.42 0.005 . 1 . . . . . . . . 5221 1 462 . 1 1 118 118 ARG CA C 13 60.393 0.05 . 1 . . . . . . . . 5221 1 463 . 1 1 118 118 ARG C C 13 177.614 0.05 . 1 . . . . . . . . 5221 1 464 . 1 1 118 118 ARG CB C 13 30.942 0.05 . 1 . . . . . . . . 5221 1 465 . 1 1 118 118 ARG CG C 13 28.186 0.05 . 1 . . . . . . . . 5221 1 466 . 1 1 118 118 ARG CD C 13 43.165 0.05 . 1 . . . . . . . . 5221 1 467 . 1 1 119 119 GLU N N 15 114.894 0.05 . 1 . . . . . . . . 5221 1 468 . 1 1 119 119 GLU H H 1 8.048 0.005 . 1 . . . . . . . . 5221 1 469 . 1 1 119 119 GLU CA C 13 59.267 0.05 . 1 . . . . . . . . 5221 1 470 . 1 1 119 119 GLU C C 13 181.543 0.05 . 1 . . . . . . . . 5221 1 471 . 1 1 119 119 GLU CB C 13 30.464 0.05 . 1 . . . . . . . . 5221 1 472 . 1 1 119 119 GLU CG C 13 36.434 0.05 . 1 . . . . . . . . 5221 1 473 . 1 1 119 119 GLU HA H 1 3.9 0.005 . 1 . . . . . . . . 5221 1 474 . 1 1 119 119 GLU HB2 H 1 2.092 0.005 . 2 . . . . . . . . 5221 1 475 . 1 1 119 119 GLU HB3 H 1 2.281 0.005 . 2 . . . . . . . . 5221 1 476 . 1 1 119 119 GLU HG2 H 1 2.295 0.005 . 2 . . . . . . . . 5221 1 477 . 1 1 119 119 GLU HG3 H 1 2.603 0.005 . 2 . . . . . . . . 5221 1 478 . 1 1 120 120 GLU N N 15 116.399 0.05 . 1 . . . . . . . . 5221 1 479 . 1 1 120 120 GLU H H 1 8.694 0.005 . 1 . . . . . . . . 5221 1 480 . 1 1 120 120 GLU CA C 13 57.597 0.05 . 1 . . . . . . . . 5221 1 481 . 1 1 120 120 GLU C C 13 179.35 0.05 . 1 . . . . . . . . 5221 1 482 . 1 1 120 120 GLU CB C 13 29.062 0.05 . 1 . . . . . . . . 5221 1 483 . 1 1 120 120 GLU CG C 13 35.568 0.05 . 1 . . . . . . . . 5221 1 484 . 1 1 120 120 GLU HA H 1 4.772 0.005 . 1 . . . . . . . . 5221 1 485 . 1 1 121 121 ALA N N 15 122.246 0.05 . 1 . . . . . . . . 5221 1 486 . 1 1 121 121 ALA H H 1 9.315 0.005 . 1 . . . . . . . . 5221 1 487 . 1 1 121 121 ALA CA C 13 55.852 0.05 . 1 . . . . . . . . 5221 1 488 . 1 1 121 121 ALA C C 13 180.602 0.05 . 1 . . . . . . . . 5221 1 489 . 1 1 121 121 ALA CB C 13 18.263 0.05 . 1 . . . . . . . . 5221 1 490 . 1 1 121 121 ALA HA H 1 3.955 0.005 . 1 . . . . . . . . 5221 1 491 . 1 1 121 121 ALA HB1 H 1 1.482 0.005 . 1 . . . . . . . . 5221 1 492 . 1 1 121 121 ALA HB2 H 1 1.482 0.005 . 1 . . . . . . . . 5221 1 493 . 1 1 121 121 ALA HB3 H 1 1.482 0.005 . 1 . . . . . . . . 5221 1 494 . 1 1 122 122 ILE N N 15 116.576 0.05 . 1 . . . . . . . . 5221 1 495 . 1 1 122 122 ILE H H 1 7.514 0.005 . 1 . . . . . . . . 5221 1 496 . 1 1 122 122 ILE CA C 13 66.215 0.05 . 1 . . . . . . . . 5221 1 497 . 1 1 122 122 ILE C C 13 179.338 0.05 . 1 . . . . . . . . 5221 1 498 . 1 1 122 122 ILE CB C 13 38.578 0.05 . 1 . . . . . . . . 5221 1 499 . 1 1 122 122 ILE CG1 C 13 30.757 0.05 . 1 . . . . . . . . 5221 1 500 . 1 1 122 122 ILE CG2 C 13 16.641 0.05 . 1 . . . . . . . . 5221 1 501 . 1 1 122 122 ILE CD1 C 13 13.847 0.05 . 1 . . . . . . . . 5221 1 502 . 1 1 122 122 ILE HA H 1 3.596 0.005 . 1 . . . . . . . . 5221 1 503 . 1 1 122 122 ILE HB H 1 1.907 0.005 . 1 . . . . . . . . 5221 1 504 . 1 1 122 122 ILE HG21 H 1 0.944 0.005 . 1 . . . . . . . . 5221 1 505 . 1 1 122 122 ILE HG22 H 1 0.944 0.005 . 1 . . . . . . . . 5221 1 506 . 1 1 122 122 ILE HG23 H 1 0.944 0.005 . 1 . . . . . . . . 5221 1 507 . 1 1 123 123 LYS N N 15 119.805 0.05 . 1 . . . . . . . . 5221 1 508 . 1 1 123 123 LYS H H 1 7.311 0.005 . 1 . . . . . . . . 5221 1 509 . 1 1 123 123 LYS CA C 13 59.37 0.05 . 1 . . . . . . . . 5221 1 510 . 1 1 123 123 LYS C C 13 178.779 0.05 . 1 . . . . . . . . 5221 1 511 . 1 1 123 123 LYS CB C 13 32.537 0.05 . 1 . . . . . . . . 5221 1 512 . 1 1 123 123 LYS CG C 13 24.927 0.05 . 1 . . . . . . . . 5221 1 513 . 1 1 123 123 LYS CD C 13 29.126 0.05 . 1 . . . . . . . . 5221 1 514 . 1 1 123 123 LYS CE C 13 41.825 0.05 . 1 . . . . . . . . 5221 1 515 . 1 1 123 123 LYS HA H 1 3.944 0.005 . 1 . . . . . . . . 5221 1 516 . 1 1 123 123 LYS HB2 H 1 1.695 0.005 . 2 . . . . . . . . 5221 1 517 . 1 1 123 123 LYS HB3 H 1 1.923 0.005 . 2 . . . . . . . . 5221 1 518 . 1 1 123 123 LYS HG2 H 1 1.251 0.005 . 2 . . . . . . . . 5221 1 519 . 1 1 123 123 LYS HG3 H 1 1.466 0.005 . 2 . . . . . . . . 5221 1 520 . 1 1 123 123 LYS HD3 H 1 1.687 0.005 . 1 . . . . . . . . 5221 1 521 . 1 1 124 124 PHE N N 15 114.777 0.05 . 1 . . . . . . . . 5221 1 522 . 1 1 124 124 PHE H H 1 8.23 0.005 . 1 . . . . . . . . 5221 1 523 . 1 1 124 124 PHE CA C 13 58.741 0.05 . 1 . . . . . . . . 5221 1 524 . 1 1 124 124 PHE C C 13 174.613 0.05 . 1 . . . . . . . . 5221 1 525 . 1 1 124 124 PHE CB C 13 38.296 0.05 . 1 . . . . . . . . 5221 1 526 . 1 1 124 124 PHE HA H 1 4.525 0.005 . 1 . . . . . . . . 5221 1 527 . 1 1 124 124 PHE HB2 H 1 2.428 0.005 . 2 . . . . . . . . 5221 1 528 . 1 1 124 124 PHE HB3 H 1 3.346 0.005 . 2 . . . . . . . . 5221 1 529 . 1 1 125 125 SER N N 15 112.944 0.05 . 1 . . . . . . . . 5221 1 530 . 1 1 125 125 SER H H 1 7.573 0.005 . 1 . . . . . . . . 5221 1 531 . 1 1 125 125 SER CA C 13 59.6 0.05 . 1 . . . . . . . . 5221 1 532 . 1 1 125 125 SER C C 13 175.551 0.05 . 1 . . . . . . . . 5221 1 533 . 1 1 125 125 SER CB C 13 60.873 0.05 . 1 . . . . . . . . 5221 1 534 . 1 1 125 125 SER HA H 1 4.46 0.005 . 1 . . . . . . . . 5221 1 535 . 1 1 125 125 SER HB2 H 1 4.271 0.005 . 1 . . . . . . . . 5221 1 536 . 1 1 126 126 GLU N N 15 120.33 0.05 . 1 . . . . . . . . 5221 1 537 . 1 1 126 126 GLU H H 1 8.91 0.005 . 1 . . . . . . . . 5221 1 538 . 1 1 126 126 GLU CA C 13 54.316 0.05 . 1 . . . . . . . . 5221 1 539 . 1 1 126 126 GLU C C 13 177.294 0.05 . 1 . . . . . . . . 5221 1 540 . 1 1 126 126 GLU CB C 13 29.511 0.05 . 1 . . . . . . . . 5221 1 541 . 1 1 126 126 GLU CG C 13 32.933 0.05 . 1 . . . . . . . . 5221 1 542 . 1 1 126 126 GLU HA H 1 4.633 0.005 . 1 . . . . . . . . 5221 1 543 . 1 1 126 126 GLU HG2 H 1 0.915 0.005 . 2 . . . . . . . . 5221 1 544 . 1 1 126 126 GLU HG3 H 1 1.847 0.005 . 2 . . . . . . . . 5221 1 545 . 1 1 126 126 GLU HB2 H 1 2.454 0.005 . 1 . . . . . . . . 5221 1 546 . 1 1 127 127 GLU N N 15 121.583 0.05 . 1 . . . . . . . . 5221 1 547 . 1 1 127 127 GLU H H 1 10.072 0.005 . 1 . . . . . . . . 5221 1 548 . 1 1 127 127 GLU CA C 13 60.013 0.05 . 1 . . . . . . . . 5221 1 549 . 1 1 127 127 GLU C C 13 178.108 0.05 . 1 . . . . . . . . 5221 1 550 . 1 1 127 127 GLU CB C 13 28.428 0.05 . 1 . . . . . . . . 5221 1 551 . 1 1 127 127 GLU CG C 13 35.032 0.05 . 1 . . . . . . . . 5221 1 552 . 1 1 127 127 GLU HA H 1 3.805 0.005 . 1 . . . . . . . . 5221 1 553 . 1 1 128 128 GLN N N 15 119.319 0.05 . 1 . . . . . . . . 5221 1 554 . 1 1 128 128 GLN H H 1 8.597 0.005 . 1 . . . . . . . . 5221 1 555 . 1 1 128 128 GLN CA C 13 59.13 0.05 . 1 . . . . . . . . 5221 1 556 . 1 1 128 128 GLN C C 13 178.129 0.05 . 1 . . . . . . . . 5221 1 557 . 1 1 128 128 GLN CB C 13 28.187 0.05 . 1 . . . . . . . . 5221 1 558 . 1 1 128 128 GLN CG C 13 34.05 0.05 . 1 . . . . . . . . 5221 1 559 . 1 1 128 128 GLN HA H 1 4.115 0.005 . 1 . . . . . . . . 5221 1 560 . 1 1 129 129 ARG N N 15 119.722 0.05 . 1 . . . . . . . . 5221 1 561 . 1 1 129 129 ARG H H 1 7.847 0.005 . 1 . . . . . . . . 5221 1 562 . 1 1 129 129 ARG CA C 13 59.513 0.05 . 1 . . . . . . . . 5221 1 563 . 1 1 129 129 ARG C C 13 180.433 0.05 . 1 . . . . . . . . 5221 1 564 . 1 1 129 129 ARG CB C 13 30.776 0.05 . 1 . . . . . . . . 5221 1 565 . 1 1 129 129 ARG CG C 13 27.941 0.05 . 1 . . . . . . . . 5221 1 566 . 1 1 129 129 ARG CD C 13 43.477 0.05 . 1 . . . . . . . . 5221 1 567 . 1 1 129 129 ARG HA H 1 4.217 0.005 . 1 . . . . . . . . 5221 1 568 . 1 1 129 129 ARG HB2 H 1 2.24 0.005 . 2 . . . . . . . . 5221 1 569 . 1 1 129 129 ARG HB3 H 1 2.3 0.005 . 2 . . . . . . . . 5221 1 570 . 1 1 129 129 ARG HG2 H 1 1.764 0.005 . 2 . . . . . . . . 5221 1 571 . 1 1 129 129 ARG HG3 H 1 2.124 0.005 . 2 . . . . . . . . 5221 1 572 . 1 1 130 130 PHE N N 15 118.427 0.05 . 1 . . . . . . . . 5221 1 573 . 1 1 130 130 PHE H H 1 7.64 0.005 . 1 . . . . . . . . 5221 1 574 . 1 1 130 130 PHE CA C 13 62.146 0.05 . 1 . . . . . . . . 5221 1 575 . 1 1 130 130 PHE C C 13 175.992 0.05 . 1 . . . . . . . . 5221 1 576 . 1 1 130 130 PHE CB C 13 38.735 0.05 . 1 . . . . . . . . 5221 1 577 . 1 1 130 130 PHE HA H 1 3.586 0.005 . 1 . . . . . . . . 5221 1 578 . 1 1 130 130 PHE HB2 H 1 2.387 0.005 . 2 . . . . . . . . 5221 1 579 . 1 1 130 130 PHE HB3 H 1 2.892 0.005 . 2 . . . . . . . . 5221 1 580 . 1 1 131 131 ASN N N 15 120.456 0.05 . 1 . . . . . . . . 5221 1 581 . 1 1 131 131 ASN H H 1 8.71 0.005 . 1 . . . . . . . . 5221 1 582 . 1 1 131 131 ASN CA C 13 55.53 0.05 . 1 . . . . . . . . 5221 1 583 . 1 1 131 131 ASN C C 13 178.017 0.05 . 1 . . . . . . . . 5221 1 584 . 1 1 131 131 ASN CB C 13 36.799 0.05 . 1 . . . . . . . . 5221 1 585 . 1 1 131 131 ASN HA H 1 4.183 0.005 . 1 . . . . . . . . 5221 1 586 . 1 1 131 131 ASN HB2 H 1 2.643 0.005 . 2 . . . . . . . . 5221 1 587 . 1 1 131 131 ASN HB3 H 1 2.914 0.005 . 2 . . . . . . . . 5221 1 588 . 1 1 132 132 ASN N N 15 117.946 0.05 . 1 . . . . . . . . 5221 1 589 . 1 1 132 132 ASN H H 1 8.595 0.005 . 1 . . . . . . . . 5221 1 590 . 1 1 132 132 ASN CA C 13 55.661 0.05 . 1 . . . . . . . . 5221 1 591 . 1 1 132 132 ASN C C 13 178.842 0.05 . 1 . . . . . . . . 5221 1 592 . 1 1 132 132 ASN CB C 13 37.425 0.05 . 1 . . . . . . . . 5221 1 593 . 1 1 132 132 ASN HA H 1 4.397 0.005 . 1 . . . . . . . . 5221 1 594 . 1 1 132 132 ASN HB2 H 1 2.832 0.005 . 2 . . . . . . . . 5221 1 595 . 1 1 132 132 ASN HB3 H 1 2.947 0.005 . 2 . . . . . . . . 5221 1 596 . 1 1 133 133 PHE N N 15 122.515 0.05 . 1 . . . . . . . . 5221 1 597 . 1 1 133 133 PHE H H 1 7.568 0.005 . 1 . . . . . . . . 5221 1 598 . 1 1 133 133 PHE CA C 13 60.023 0.05 . 1 . . . . . . . . 5221 1 599 . 1 1 133 133 PHE C C 13 176.271 0.05 . 1 . . . . . . . . 5221 1 600 . 1 1 133 133 PHE CB C 13 37.746 0.05 . 1 . . . . . . . . 5221 1 601 . 1 1 133 133 PHE HA H 1 4.476 0.005 . 1 . . . . . . . . 5221 1 602 . 1 1 133 133 PHE HB2 H 1 3.134 0.005 . 2 . . . . . . . . 5221 1 603 . 1 1 133 133 PHE HB3 H 1 3.478 0.005 . 2 . . . . . . . . 5221 1 604 . 1 1 134 134 LEU N N 15 122.984 0.05 . 1 . . . . . . . . 5221 1 605 . 1 1 134 134 LEU H H 1 8.366 0.005 . 1 . . . . . . . . 5221 1 606 . 1 1 134 134 LEU CA C 13 57.48 0.05 . 1 . . . . . . . . 5221 1 607 . 1 1 134 134 LEU C C 13 179.511 0.05 . 1 . . . . . . . . 5221 1 608 . 1 1 134 134 LEU CB C 13 40.846 0.05 . 1 . . . . . . . . 5221 1 609 . 1 1 134 134 LEU CG C 13 25.325 0.05 . 1 . . . . . . . . 5221 1 610 . 1 1 134 134 LEU CD1 C 13 23.089 0.05 . 1 . . . . . . . . 5221 1 611 . 1 1 134 134 LEU HA H 1 3.336 0.005 . 1 . . . . . . . . 5221 1 612 . 1 1 134 134 LEU HG H 1 0.886 0.005 . 1 . . . . . . . . 5221 1 613 . 1 1 134 134 LEU HD11 H 1 0.682 0.005 . 2 . . . . . . . . 5221 1 614 . 1 1 134 134 LEU HD12 H 1 0.682 0.005 . 2 . . . . . . . . 5221 1 615 . 1 1 134 134 LEU HD13 H 1 0.682 0.005 . 2 . . . . . . . . 5221 1 616 . 1 1 134 134 LEU HD21 H 1 0.74 0.005 . 2 . . . . . . . . 5221 1 617 . 1 1 134 134 LEU HD22 H 1 0.74 0.005 . 2 . . . . . . . . 5221 1 618 . 1 1 134 134 LEU HD23 H 1 0.74 0.005 . 2 . . . . . . . . 5221 1 619 . 1 1 134 134 LEU HB2 H 1 1.434 0.005 . 1 . . . . . . . . 5221 1 620 . 1 1 135 135 LYS N N 15 117.098 0.05 . 1 . . . . . . . . 5221 1 621 . 1 1 135 135 LYS H H 1 7.833 0.005 . 1 . . . . . . . . 5221 1 622 . 1 1 135 135 LYS CA C 13 60.005 0.05 . 1 . . . . . . . . 5221 1 623 . 1 1 135 135 LYS C C 13 179.26 0.05 . 1 . . . . . . . . 5221 1 624 . 1 1 135 135 LYS CB C 13 32.597 0.05 . 1 . . . . . . . . 5221 1 625 . 1 1 135 135 LYS CG C 13 25.957 0.05 . 1 . . . . . . . . 5221 1 626 . 1 1 135 135 LYS CD C 13 29.503 0.05 . 1 . . . . . . . . 5221 1 627 . 1 1 135 135 LYS HA H 1 4.133 0.005 . 1 . . . . . . . . 5221 1 628 . 1 1 135 135 LYS HB2 H 1 1.806 0.005 . 2 . . . . . . . . 5221 1 629 . 1 1 135 135 LYS HB3 H 1 1.92 0.005 . 2 . . . . . . . . 5221 1 630 . 1 1 135 135 LYS HG2 H 1 1.425 0.005 . 1 . . . . . . . . 5221 1 631 . 1 1 135 135 LYS HD3 H 1 1.664 0.005 . 1 . . . . . . . . 5221 1 632 . 1 1 135 135 LYS HE2 H 1 2.89 0.005 . 1 . . . . . . . . 5221 1 633 . 1 1 136 136 ALA N N 15 122.141 0.05 . 1 . . . . . . . . 5221 1 634 . 1 1 136 136 ALA H H 1 7.592 0.005 . 1 . . . . . . . . 5221 1 635 . 1 1 136 136 ALA CA C 13 54.589 0.05 . 1 . . . . . . . . 5221 1 636 . 1 1 136 136 ALA C C 13 180.914 0.05 . 1 . . . . . . . . 5221 1 637 . 1 1 136 136 ALA CB C 13 17.692 0.05 . 1 . . . . . . . . 5221 1 638 . 1 1 136 136 ALA HA H 1 4.155 0.005 . 1 . . . . . . . . 5221 1 639 . 1 1 136 136 ALA HB1 H 1 1.469 0.005 . 1 . . . . . . . . 5221 1 640 . 1 1 136 136 ALA HB2 H 1 1.469 0.005 . 1 . . . . . . . . 5221 1 641 . 1 1 136 136 ALA HB3 H 1 1.469 0.005 . 1 . . . . . . . . 5221 1 642 . 1 1 137 137 LEU N N 15 121.953 0.05 . 1 . . . . . . . . 5221 1 643 . 1 1 137 137 LEU H H 1 8.631 0.005 . 1 . . . . . . . . 5221 1 644 . 1 1 137 137 LEU CA C 13 57.385 0.05 . 1 . . . . . . . . 5221 1 645 . 1 1 137 137 LEU C C 13 178.085 0.05 . 1 . . . . . . . . 5221 1 646 . 1 1 137 137 LEU CB C 13 41.05 0.05 . 1 . . . . . . . . 5221 1 647 . 1 1 137 137 LEU CG C 13 26.284 0.05 . 1 . . . . . . . . 5221 1 648 . 1 1 137 137 LEU CD1 C 13 22.731 0.05 . 1 . . . . . . . . 5221 1 649 . 1 1 137 137 LEU HA H 1 3.904 0.005 . 1 . . . . . . . . 5221 1 650 . 1 1 137 137 LEU HG H 1 1.105 0.005 . 1 . . . . . . . . 5221 1 651 . 1 1 137 137 LEU HB2 H 1 1.832 0.005 . 1 . . . . . . . . 5221 1 652 . 1 1 137 137 LEU HD11 H 1 0.92 0.005 . 1 . . . . . . . . 5221 1 653 . 1 1 137 137 LEU HD12 H 1 0.92 0.005 . 1 . . . . . . . . 5221 1 654 . 1 1 137 137 LEU HD13 H 1 0.92 0.005 . 1 . . . . . . . . 5221 1 655 . 1 1 138 138 GLN N N 15 118.803 0.05 . 1 . . . . . . . . 5221 1 656 . 1 1 138 138 GLN H H 1 7.963 0.005 . 1 . . . . . . . . 5221 1 657 . 1 1 138 138 GLN CA C 13 59.474 0.05 . 1 . . . . . . . . 5221 1 658 . 1 1 138 138 GLN C C 13 177.954 0.05 . 1 . . . . . . . . 5221 1 659 . 1 1 138 138 GLN CB C 13 28.07 0.05 . 1 . . . . . . . . 5221 1 660 . 1 1 138 138 GLN CG C 13 33.485 0.05 . 1 . . . . . . . . 5221 1 661 . 1 1 139 139 GLU N N 15 116.873 0.05 . 1 . . . . . . . . 5221 1 662 . 1 1 139 139 GLU H H 1 7.238 0.005 . 1 . . . . . . . . 5221 1 663 . 1 1 139 139 GLU CA C 13 59.154 0.05 . 1 . . . . . . . . 5221 1 664 . 1 1 139 139 GLU C C 13 178.821 0.05 . 1 . . . . . . . . 5221 1 665 . 1 1 139 139 GLU CB C 13 29.682 0.05 . 1 . . . . . . . . 5221 1 666 . 1 1 139 139 GLU CG C 13 36.399 0.05 . 1 . . . . . . . . 5221 1 667 . 1 1 139 139 GLU HA H 1 3.872 0.005 . 1 . . . . . . . . 5221 1 668 . 1 1 140 140 LYS N N 15 119.64 0.05 . 1 . . . . . . . . 5221 1 669 . 1 1 140 140 LYS H H 1 7.85 0.005 . 1 . . . . . . . . 5221 1 670 . 1 1 140 140 LYS CA C 13 58.957 0.05 . 1 . . . . . . . . 5221 1 671 . 1 1 140 140 LYS C C 13 178.623 0.05 . 1 . . . . . . . . 5221 1 672 . 1 1 140 140 LYS CB C 13 32.597 0.05 . 1 . . . . . . . . 5221 1 673 . 1 1 140 140 LYS CG C 13 24.929 0.05 . 1 . . . . . . . . 5221 1 674 . 1 1 140 140 LYS CD C 13 29.302 0.05 . 1 . . . . . . . . 5221 1 675 . 1 1 140 140 LYS CE C 13 41.744 0.05 . 1 . . . . . . . . 5221 1 676 . 1 1 140 140 LYS HA H 1 4.032 0.005 . 1 . . . . . . . . 5221 1 677 . 1 1 140 140 LYS HB2 H 1 1.814 0.005 . 2 . . . . . . . . 5221 1 678 . 1 1 140 140 LYS HB3 H 1 1.949 0.005 . 2 . . . . . . . . 5221 1 679 . 1 1 140 140 LYS HG2 H 1 1.387 0.005 . 2 . . . . . . . . 5221 1 680 . 1 1 140 140 LYS HG3 H 1 1.54 0.005 . 2 . . . . . . . . 5221 1 681 . 1 1 140 140 LYS HD2 H 1 1.558 0.005 . 2 . . . . . . . . 5221 1 682 . 1 1 140 140 LYS HD3 H 1 1.634 0.005 . 2 . . . . . . . . 5221 1 683 . 1 1 141 141 VAL N N 15 117.905 0.05 . 1 . . . . . . . . 5221 1 684 . 1 1 141 141 VAL H H 1 8.34 0.005 . 1 . . . . . . . . 5221 1 685 . 1 1 141 141 VAL CA C 13 66.538 0.05 . 1 . . . . . . . . 5221 1 686 . 1 1 141 141 VAL C C 13 178.157 0.05 . 1 . . . . . . . . 5221 1 687 . 1 1 141 141 VAL CB C 13 31.134 0.05 . 1 . . . . . . . . 5221 1 688 . 1 1 141 141 VAL CG1 C 13 21.463 0.05 . 2 . . . . . . . . 5221 1 689 . 1 1 141 141 VAL CG2 C 13 23.068 0.05 . 2 . . . . . . . . 5221 1 690 . 1 1 141 141 VAL HA H 1 3.465 0.005 . 1 . . . . . . . . 5221 1 691 . 1 1 141 141 VAL HB H 1 2.05 0.005 . 1 . . . . . . . . 5221 1 692 . 1 1 141 141 VAL HG11 H 1 0.907 0.005 . 2 . . . . . . . . 5221 1 693 . 1 1 141 141 VAL HG12 H 1 0.907 0.005 . 2 . . . . . . . . 5221 1 694 . 1 1 141 141 VAL HG13 H 1 0.907 0.005 . 2 . . . . . . . . 5221 1 695 . 1 1 141 141 VAL HG21 H 1 1.077 0.005 . 2 . . . . . . . . 5221 1 696 . 1 1 141 141 VAL HG22 H 1 1.077 0.005 . 2 . . . . . . . . 5221 1 697 . 1 1 141 141 VAL HG23 H 1 1.077 0.005 . 2 . . . . . . . . 5221 1 698 . 1 1 142 142 GLU N N 15 119.412 0.05 . 1 . . . . . . . . 5221 1 699 . 1 1 142 142 GLU H H 1 7.662 0.005 . 1 . . . . . . . . 5221 1 700 . 1 1 142 142 GLU CA C 13 59.16 0.05 . 1 . . . . . . . . 5221 1 701 . 1 1 142 142 GLU C C 13 180.444 0.05 . 1 . . . . . . . . 5221 1 702 . 1 1 142 142 GLU CB C 13 29.062 0.05 . 1 . . . . . . . . 5221 1 703 . 1 1 142 142 GLU HA H 1 4.036 0.005 . 1 . . . . . . . . 5221 1 704 . 1 1 142 142 GLU CG C 13 36.039 0.05 . 1 . . . . . . . . 5221 1 705 . 1 1 143 143 ILE N N 15 120.577 0.05 . 1 . . . . . . . . 5221 1 706 . 1 1 143 143 ILE H H 1 7.953 0.005 . 1 . . . . . . . . 5221 1 707 . 1 1 143 143 ILE CA C 13 64.429 0.05 . 1 . . . . . . . . 5221 1 708 . 1 1 143 143 ILE C C 13 178.708 0.05 . 1 . . . . . . . . 5221 1 709 . 1 1 143 143 ILE CB C 13 38.186 0.05 . 1 . . . . . . . . 5221 1 710 . 1 1 143 143 ILE CG1 C 13 28.944 0.05 . 1 . . . . . . . . 5221 1 711 . 1 1 143 143 ILE CG2 C 13 17.104 0.05 . 1 . . . . . . . . 5221 1 712 . 1 1 143 143 ILE CD1 C 13 13.227 0.05 . 1 . . . . . . . . 5221 1 713 . 1 1 143 143 ILE HA H 1 3.873 0.005 . 1 . . . . . . . . 5221 1 714 . 1 1 143 143 ILE HB H 1 1.914 0.005 . 1 . . . . . . . . 5221 1 715 . 1 1 143 143 ILE HG12 H 1 1.253 0.005 . 2 . . . . . . . . 5221 1 716 . 1 1 143 143 ILE HG13 H 1 1.681 0.005 . 2 . . . . . . . . 5221 1 717 . 1 1 143 143 ILE HG21 H 1 0.963 0.005 . 1 . . . . . . . . 5221 1 718 . 1 1 143 143 ILE HG22 H 1 0.963 0.005 . 1 . . . . . . . . 5221 1 719 . 1 1 143 143 ILE HG23 H 1 0.963 0.005 . 1 . . . . . . . . 5221 1 720 . 1 1 143 143 ILE HD11 H 1 0.859 0.005 . 1 . . . . . . . . 5221 1 721 . 1 1 143 143 ILE HD12 H 1 0.859 0.005 . 1 . . . . . . . . 5221 1 722 . 1 1 143 143 ILE HD13 H 1 0.859 0.005 . 1 . . . . . . . . 5221 1 723 . 1 1 144 144 LYS N N 15 117.314 0.05 . 1 . . . . . . . . 5221 1 724 . 1 1 144 144 LYS H H 1 8.108 0.005 . 1 . . . . . . . . 5221 1 725 . 1 1 144 144 LYS CA C 13 56.261 0.05 . 1 . . . . . . . . 5221 1 726 . 1 1 144 144 LYS C C 13 175.275 0.05 . 1 . . . . . . . . 5221 1 727 . 1 1 144 144 LYS CB C 13 32.614 0.05 . 1 . . . . . . . . 5221 1 728 . 1 1 144 144 LYS CG C 13 25.709 0.05 . 1 . . . . . . . . 5221 1 729 . 1 1 144 144 LYS CD C 13 28.975 0.05 . 1 . . . . . . . . 5221 1 730 . 1 1 144 144 LYS CE C 13 41.674 0.05 . 1 . . . . . . . . 5221 1 731 . 1 1 144 144 LYS HA H 1 4.27 0.005 . 1 . . . . . . . . 5221 1 732 . 1 1 144 144 LYS HB2 H 1 1.656 0.005 . 2 . . . . . . . . 5221 1 733 . 1 1 144 144 LYS HB3 H 1 2.048 0.005 . 2 . . . . . . . . 5221 1 734 . 1 1 144 144 LYS HG2 H 1 1.504 0.005 . 1 . . . . . . . . 5221 1 735 . 1 1 144 144 LYS HD3 H 1 1.609 0.005 . 1 . . . . . . . . 5221 1 736 . 1 1 144 144 LYS HE2 H 1 2.981 0.005 . 1 . . . . . . . . 5221 1 737 . 1 1 145 145 GLN N N 15 115.362 0.05 . 1 . . . . . . . . 5221 1 738 . 1 1 145 145 GLN H H 1 7.758 0.005 . 1 . . . . . . . . 5221 1 739 . 1 1 145 145 GLN CA C 13 56.698 0.05 . 1 . . . . . . . . 5221 1 740 . 1 1 145 145 GLN C C 13 176.951 0.05 . 1 . . . . . . . . 5221 1 741 . 1 1 145 145 GLN CB C 13 25.902 0.05 . 1 . . . . . . . . 5221 1 742 . 1 1 145 145 GLN CG C 13 34.32 0.05 . 1 . . . . . . . . 5221 1 743 . 1 1 145 145 GLN HA H 1 4.014 0.005 . 1 . . . . . . . . 5221 1 744 . 1 1 145 145 GLN HB2 H 1 2.307 0.005 . 2 . . . . . . . . 5221 1 745 . 1 1 145 145 GLN HB3 H 1 2.432 0.005 . 2 . . . . . . . . 5221 1 746 . 1 1 146 146 LEU N N 15 120.522 0.05 . 1 . . . . . . . . 5221 1 747 . 1 1 146 146 LEU H H 1 8.372 0.005 . 1 . . . . . . . . 5221 1 748 . 1 1 146 146 LEU CA C 13 52.859 0.05 . 1 . . . . . . . . 5221 1 749 . 1 1 146 146 LEU C C 13 178.516 0.05 . 1 . . . . . . . . 5221 1 750 . 1 1 146 146 LEU CB C 13 41.925 0.05 . 1 . . . . . . . . 5221 1 751 . 1 1 146 146 LEU CG C 13 26.217 0.05 . 1 . . . . . . . . 5221 1 752 . 1 1 146 146 LEU CD1 C 13 23.637 0.05 . 1 . . . . . . . . 5221 1 753 . 1 1 146 146 LEU HA H 1 4.965 0.005 . 1 . . . . . . . . 5221 1 754 . 1 1 146 146 LEU HB2 H 1 1.654 0.005 . 2 . . . . . . . . 5221 1 755 . 1 1 146 146 LEU HB3 H 1 1.868 0.005 . 2 . . . . . . . . 5221 1 756 . 1 1 146 146 LEU HD11 H 1 0.88 0.005 . 2 . . . . . . . . 5221 1 757 . 1 1 146 146 LEU HD12 H 1 0.88 0.005 . 2 . . . . . . . . 5221 1 758 . 1 1 146 146 LEU HD13 H 1 0.88 0.005 . 2 . . . . . . . . 5221 1 759 . 1 1 146 146 LEU HD21 H 1 0.975 0.005 . 2 . . . . . . . . 5221 1 760 . 1 1 146 146 LEU HD22 H 1 0.975 0.005 . 2 . . . . . . . . 5221 1 761 . 1 1 146 146 LEU HD23 H 1 0.975 0.005 . 2 . . . . . . . . 5221 1 762 . 1 1 147 147 ASN N N 15 120.008 0.05 . 1 . . . . . . . . 5221 1 763 . 1 1 147 147 ASN H H 1 8.43 0.005 . 1 . . . . . . . . 5221 1 764 . 1 1 147 147 ASN CA C 13 57.401 0.05 . 1 . . . . . . . . 5221 1 765 . 1 1 147 147 ASN C C 13 177.239 0.05 . 1 . . . . . . . . 5221 1 766 . 1 1 147 147 ASN CB C 13 37.888 0.05 . 1 . . . . . . . . 5221 1 767 . 1 1 147 147 ASN HA H 1 4.3 0.005 . 1 . . . . . . . . 5221 1 768 . 1 1 148 148 HIS CA C 13 58.534 0.05 . 1 . . . . . . . . 5221 1 769 . 1 1 148 148 HIS C C 13 177.995 0.05 . 1 . . . . . . . . 5221 1 770 . 1 1 148 148 HIS CB C 13 29.4 0.05 . 1 . . . . . . . . 5221 1 771 . 1 1 148 148 HIS HA H 1 4.622 0.005 . 1 . . . . . . . . 5221 1 772 . 1 1 148 148 HIS HB2 H 1 3.302 0.005 . 1 . . . . . . . . 5221 1 773 . 1 1 149 149 PHE N N 15 119.067 0.05 . 1 . . . . . . . . 5221 1 774 . 1 1 149 149 PHE H H 1 7.203 0.005 . 1 . . . . . . . . 5221 1 775 . 1 1 149 149 PHE CA C 13 60.093 0.05 . 1 . . . . . . . . 5221 1 776 . 1 1 149 149 PHE C C 13 176.492 0.05 . 1 . . . . . . . . 5221 1 777 . 1 1 149 149 PHE CB C 13 38.288 0.05 . 1 . . . . . . . . 5221 1 778 . 1 1 149 149 PHE HA H 1 3.943 0.005 . 1 . . . . . . . . 5221 1 779 . 1 1 149 149 PHE HB2 H 1 2.667 0.005 . 1 . . . . . . . . 5221 1 780 . 1 1 150 150 TRP N N 15 120.245 0.05 . 1 . . . . . . . . 5221 1 781 . 1 1 150 150 TRP H H 1 7.902 0.005 . 1 . . . . . . . . 5221 1 782 . 1 1 150 150 TRP CA C 13 59.277 0.05 . 1 . . . . . . . . 5221 1 783 . 1 1 150 150 TRP C C 13 176.753 0.05 . 1 . . . . . . . . 5221 1 784 . 1 1 150 150 TRP CB C 13 29.802 0.05 . 1 . . . . . . . . 5221 1 785 . 1 1 150 150 TRP NE1 N 15 129.492 0.05 . 1 . . . . . . . . 5221 1 786 . 1 1 150 150 TRP HE1 H 1 10.111 0.005 . 1 . . . . . . . . 5221 1 787 . 1 1 150 150 TRP HA H 1 3.862 0.005 . 1 . . . . . . . . 5221 1 788 . 1 1 150 150 TRP HB2 H 1 3.18 0.005 . 2 . . . . . . . . 5221 1 789 . 1 1 150 150 TRP HB3 H 1 3.327 0.005 . 2 . . . . . . . . 5221 1 790 . 1 1 151 151 GLU N N 15 114.38 0.05 . 1 . . . . . . . . 5221 1 791 . 1 1 151 151 GLU H H 1 7.89 0.005 . 1 . . . . . . . . 5221 1 792 . 1 1 151 151 GLU CA C 13 59.333 0.05 . 1 . . . . . . . . 5221 1 793 . 1 1 151 151 GLU C C 13 179.059 0.05 . 1 . . . . . . . . 5221 1 794 . 1 1 151 151 GLU CB C 13 29.627 0.05 . 1 . . . . . . . . 5221 1 795 . 1 1 151 151 GLU CG C 13 36.485 0.05 . 1 . . . . . . . . 5221 1 796 . 1 1 151 151 GLU HA H 1 3.846 0.005 . 1 . . . . . . . . 5221 1 797 . 1 1 151 151 GLU HB2 H 1 2.019 0.005 . 2 . . . . . . . . 5221 1 798 . 1 1 151 151 GLU HB3 H 1 2.137 0.005 . 2 . . . . . . . . 5221 1 799 . 1 1 151 151 GLU HG2 H 1 2.314 0.005 . 2 . . . . . . . . 5221 1 800 . 1 1 151 151 GLU HG3 H 1 2.469 0.005 . 2 . . . . . . . . 5221 1 801 . 1 1 152 152 ILE N N 15 119.383 0.05 . 1 . . . . . . . . 5221 1 802 . 1 1 152 152 ILE H H 1 7.141 0.005 . 1 . . . . . . . . 5221 1 803 . 1 1 152 152 ILE CA C 13 64.909 0.05 . 1 . . . . . . . . 5221 1 804 . 1 1 152 152 ILE C C 13 178.063 0.05 . 1 . . . . . . . . 5221 1 805 . 1 1 152 152 ILE CB C 13 37.693 0.05 . 1 . . . . . . . . 5221 1 806 . 1 1 152 152 ILE CG1 C 13 28.133 0.05 . 1 . . . . . . . . 5221 1 807 . 1 1 152 152 ILE CG2 C 13 17.91 0.05 . 1 . . . . . . . . 5221 1 808 . 1 1 152 152 ILE HA H 1 3.546 0.005 . 1 . . . . . . . . 5221 1 809 . 1 1 152 152 ILE HB H 1 1.775 0.005 . 1 . . . . . . . . 5221 1 810 . 1 1 153 153 VAL N N 15 121.648 0.05 . 1 . . . . . . . . 5221 1 811 . 1 1 153 153 VAL H H 1 6.706 0.005 . 1 . . . . . . . . 5221 1 812 . 1 1 153 153 VAL CA C 13 67.162 0.05 . 1 . . . . . . . . 5221 1 813 . 1 1 153 153 VAL C C 13 177.817 0.05 . 1 . . . . . . . . 5221 1 814 . 1 1 153 153 VAL CB C 13 31.015 0.05 . 1 . . . . . . . . 5221 1 815 . 1 1 153 153 VAL CG1 C 13 20.264 0.05 . 2 . . . . . . . . 5221 1 816 . 1 1 153 153 VAL CG2 C 13 23.239 0.05 . 2 . . . . . . . . 5221 1 817 . 1 1 153 153 VAL HA H 1 3.858 0.005 . 1 . . . . . . . . 5221 1 818 . 1 1 153 153 VAL HB H 1 2.901 0.005 . 1 . . . . . . . . 5221 1 819 . 1 1 153 153 VAL HG21 H 1 0.069 0.005 . 1 . . . . . . . . 5221 1 820 . 1 1 153 153 VAL HG22 H 1 0.069 0.005 . 1 . . . . . . . . 5221 1 821 . 1 1 153 153 VAL HG23 H 1 0.069 0.005 . 1 . . . . . . . . 5221 1 822 . 1 1 154 154 VAL N N 15 116.876 0.05 . 1 . . . . . . . . 5221 1 823 . 1 1 154 154 VAL H H 1 7.763 0.005 . 1 . . . . . . . . 5221 1 824 . 1 1 154 154 VAL CA C 13 65.968 0.05 . 1 . . . . . . . . 5221 1 825 . 1 1 154 154 VAL C C 13 180.714 0.05 . 1 . . . . . . . . 5221 1 826 . 1 1 154 154 VAL CB C 13 31.938 0.05 . 1 . . . . . . . . 5221 1 827 . 1 1 154 154 VAL CG1 C 13 21.048 0.05 . 2 . . . . . . . . 5221 1 828 . 1 1 154 154 VAL CG2 C 13 22.361 0.05 . 2 . . . . . . . . 5221 1 829 . 1 1 154 154 VAL HA H 1 3.346 0.005 . 1 . . . . . . . . 5221 1 830 . 1 1 154 154 VAL HB H 1 1.82 0.005 . 1 . . . . . . . . 5221 1 831 . 1 1 154 154 VAL HG11 H 1 0.61 0.005 . 2 . . . . . . . . 5221 1 832 . 1 1 154 154 VAL HG12 H 1 0.61 0.005 . 2 . . . . . . . . 5221 1 833 . 1 1 154 154 VAL HG13 H 1 0.61 0.005 . 2 . . . . . . . . 5221 1 834 . 1 1 154 154 VAL HG21 H 1 0.821 0.005 . 2 . . . . . . . . 5221 1 835 . 1 1 154 154 VAL HG22 H 1 0.821 0.005 . 2 . . . . . . . . 5221 1 836 . 1 1 154 154 VAL HG23 H 1 0.821 0.005 . 2 . . . . . . . . 5221 1 837 . 1 1 155 155 GLN N N 15 120.671 0.05 . 1 . . . . . . . . 5221 1 838 . 1 1 155 155 GLN H H 1 8.108 0.005 . 1 . . . . . . . . 5221 1 839 . 1 1 155 155 GLN CA C 13 58.542 0.05 . 1 . . . . . . . . 5221 1 840 . 1 1 155 155 GLN C C 13 178.178 0.05 . 1 . . . . . . . . 5221 1 841 . 1 1 155 155 GLN CB C 13 28.247 0.05 . 1 . . . . . . . . 5221 1 842 . 1 1 155 155 GLN CG C 13 34.03 0.05 . 1 . . . . . . . . 5221 1 843 . 1 1 155 155 GLN HA H 1 3.933 0.005 . 1 . . . . . . . . 5221 1 844 . 1 1 155 155 GLN HB2 H 1 2.132 0.005 . 1 . . . . . . . . 5221 1 845 . 1 1 155 155 GLN HG2 H 1 2.452 0.005 . 1 . . . . . . . . 5221 1 846 . 1 1 156 156 ASP N N 15 118.827 0.05 . 1 . . . . . . . . 5221 1 847 . 1 1 156 156 ASP H H 1 8.029 0.005 . 1 . . . . . . . . 5221 1 848 . 1 1 156 156 ASP CA C 13 55.373 0.05 . 1 . . . . . . . . 5221 1 849 . 1 1 156 156 ASP C C 13 177.273 0.05 . 1 . . . . . . . . 5221 1 850 . 1 1 156 156 ASP CB C 13 41.782 0.05 . 1 . . . . . . . . 5221 1 851 . 1 1 156 156 ASP HA H 1 4.55 0.005 . 1 . . . . . . . . 5221 1 852 . 1 1 156 156 ASP HB2 H 1 2.489 0.005 . 2 . . . . . . . . 5221 1 853 . 1 1 156 156 ASP HB3 H 1 2.552 0.005 . 2 . . . . . . . . 5221 1 854 . 1 1 157 157 GLY N N 15 106.87 0.05 . 1 . . . . . . . . 5221 1 855 . 1 1 157 157 GLY H H 1 7.884 0.005 . 1 . . . . . . . . 5221 1 856 . 1 1 157 157 GLY CA C 13 45.573 0.05 . 1 . . . . . . . . 5221 1 857 . 1 1 157 157 GLY C C 13 175.607 0.05 . 1 . . . . . . . . 5221 1 858 . 1 1 157 157 GLY HA2 H 1 3.523 0.005 . 1 . . . . . . . . 5221 1 859 . 1 1 157 157 GLY HA3 H 1 3.911 0.005 . 1 . . . . . . . . 5221 1 860 . 1 1 158 158 ILE N N 15 122.008 0.05 . 1 . . . . . . . . 5221 1 861 . 1 1 158 158 ILE H H 1 7.205 0.005 . 1 . . . . . . . . 5221 1 862 . 1 1 158 158 ILE CA C 13 62.378 0.05 . 1 . . . . . . . . 5221 1 863 . 1 1 158 158 ILE C C 13 172.053 0.05 . 1 . . . . . . . . 5221 1 864 . 1 1 158 158 ILE CB C 13 37.219 0.05 . 1 . . . . . . . . 5221 1 865 . 1 1 158 158 ILE HA H 1 3.666 0.005 . 1 . . . . . . . . 5221 1 866 . 1 1 158 158 ILE HB H 1 1.832 0.005 . 1 . . . . . . . . 5221 1 867 . 1 1 159 159 THR N N 15 115.832 0.05 . 1 . . . . . . . . 5221 1 868 . 1 1 159 159 THR H H 1 7.327 0.005 . 1 . . . . . . . . 5221 1 869 . 1 1 159 159 THR CA C 13 57.016 0.05 . 1 . . . . . . . . 5221 1 870 . 1 1 159 159 THR C C 13 174.859 0.05 . 1 . . . . . . . . 5221 1 871 . 1 1 159 159 THR CB C 13 71.337 0.05 . 1 . . . . . . . . 5221 1 872 . 1 1 159 159 THR HA H 1 4.842 0.005 . 1 . . . . . . . . 5221 1 873 . 1 1 159 159 THR HB H 1 4.099 0.005 . 1 . . . . . . . . 5221 1 874 . 1 1 160 160 LEU N N 15 121.396 0.05 . 1 . . . . . . . . 5221 1 875 . 1 1 160 160 LEU H H 1 8.074 0.005 . 1 . . . . . . . . 5221 1 876 . 1 1 160 160 LEU CA C 13 54.726 0.05 . 1 . . . . . . . . 5221 1 877 . 1 1 160 160 LEU C C 13 176.539 0.05 . 1 . . . . . . . . 5221 1 878 . 1 1 160 160 LEU CB C 13 43.495 0.05 . 1 . . . . . . . . 5221 1 879 . 1 1 160 160 LEU HA H 1 4.101 0.005 . 1 . . . . . . . . 5221 1 880 . 1 1 161 161 ILE N N 15 122.835 0.05 . 1 . . . . . . . . 5221 1 881 . 1 1 161 161 ILE H H 1 9.948 0.005 . 1 . . . . . . . . 5221 1 882 . 1 1 161 161 ILE CA C 13 61.916 0.05 . 1 . . . . . . . . 5221 1 883 . 1 1 161 161 ILE C C 13 179.013 0.05 . 1 . . . . . . . . 5221 1 884 . 1 1 161 161 ILE CB C 13 39.103 0.05 . 1 . . . . . . . . 5221 1 885 . 1 1 161 161 ILE CG2 C 13 19.314 0.05 . 1 . . . . . . . . 5221 1 886 . 1 1 161 161 ILE HA H 1 4.173 0.005 . 1 . . . . . . . . 5221 1 887 . 1 1 161 161 ILE HB H 1 1.629 0.005 . 1 . . . . . . . . 5221 1 888 . 1 1 161 161 ILE HG21 H 1 0.935 0.005 . 1 . . . . . . . . 5221 1 889 . 1 1 161 161 ILE HG22 H 1 0.935 0.005 . 1 . . . . . . . . 5221 1 890 . 1 1 161 161 ILE HG23 H 1 0.935 0.005 . 1 . . . . . . . . 5221 1 891 . 1 1 161 161 ILE HD11 H 1 0.787 0.005 . 1 . . . . . . . . 5221 1 892 . 1 1 161 161 ILE HD12 H 1 0.787 0.005 . 1 . . . . . . . . 5221 1 893 . 1 1 161 161 ILE HD13 H 1 0.787 0.005 . 1 . . . . . . . . 5221 1 894 . 1 1 162 162 THR N N 15 122.064 0.05 . 1 . . . . . . . . 5221 1 895 . 1 1 162 162 THR H H 1 8.791 0.005 . 1 . . . . . . . . 5221 1 896 . 1 1 162 162 THR CA C 13 60.992 0.05 . 1 . . . . . . . . 5221 1 897 . 1 1 162 162 THR C C 13 175.904 0.05 . 1 . . . . . . . . 5221 1 898 . 1 1 162 162 THR CB C 13 72.738 0.05 . 1 . . . . . . . . 5221 1 899 . 1 1 162 162 THR HA H 1 4.527 0.005 . 1 . . . . . . . . 5221 1 900 . 1 1 162 162 THR HB H 1 4.568 0.005 . 1 . . . . . . . . 5221 1 901 . 1 1 162 162 THR HG21 H 1 1.114 0.005 . 1 . . . . . . . . 5221 1 902 . 1 1 162 162 THR HG22 H 1 1.114 0.005 . 1 . . . . . . . . 5221 1 903 . 1 1 162 162 THR HG23 H 1 1.114 0.005 . 1 . . . . . . . . 5221 1 904 . 1 1 163 163 LYS N N 15 119.984 0.05 . 1 . . . . . . . . 5221 1 905 . 1 1 163 163 LYS H H 1 8.692 0.005 . 1 . . . . . . . . 5221 1 906 . 1 1 163 163 LYS CA C 13 57.828 0.05 . 1 . . . . . . . . 5221 1 907 . 1 1 163 163 LYS C C 13 177.842 0.05 . 1 . . . . . . . . 5221 1 908 . 1 1 163 163 LYS CB C 13 32.597 0.05 . 1 . . . . . . . . 5221 1 909 . 1 1 163 163 LYS HA H 1 4.624 0.005 . 1 . . . . . . . . 5221 1 910 . 1 1 164 164 GLU CA C 13 58.497 0.05 . 1 . . . . . . . . 5221 1 911 . 1 1 164 164 GLU C C 13 178.076 0.05 . 1 . . . . . . . . 5221 1 912 . 1 1 164 164 GLU CB C 13 29.427 0.05 . 1 . . . . . . . . 5221 1 913 . 1 1 164 164 GLU CG C 13 37.244 0.05 . 1 . . . . . . . . 5221 1 914 . 1 1 164 164 GLU HA H 1 4.053 0.005 . 1 . . . . . . . . 5221 1 915 . 1 1 164 164 GLU HB2 H 1 2.256 0.005 . 2 . . . . . . . . 5221 1 916 . 1 1 164 164 GLU HB3 H 1 2.353 0.005 . 2 . . . . . . . . 5221 1 917 . 1 1 165 165 GLU N N 15 117.993 0.05 . 1 . . . . . . . . 5221 1 918 . 1 1 165 165 GLU H H 1 7.447 0.005 . 1 . . . . . . . . 5221 1 919 . 1 1 165 165 GLU CA C 13 57.317 0.05 . 1 . . . . . . . . 5221 1 920 . 1 1 165 165 GLU C C 13 176.786 0.05 . 1 . . . . . . . . 5221 1 921 . 1 1 165 165 GLU CB C 13 32.597 0.05 . 1 . . . . . . . . 5221 1 922 . 1 1 165 165 GLU CG C 13 37.664 0.05 . 1 . . . . . . . . 5221 1 923 . 1 1 165 165 GLU HA H 1 4.133 0.005 . 1 . . . . . . . . 5221 1 924 . 1 1 166 166 ALA N N 15 121.866 0.05 . 1 . . . . . . . . 5221 1 925 . 1 1 166 166 ALA H H 1 8.018 0.005 . 1 . . . . . . . . 5221 1 926 . 1 1 166 166 ALA CA C 13 52.091 0.05 . 1 . . . . . . . . 5221 1 927 . 1 1 166 166 ALA CB C 13 21.45 0.05 . 1 . . . . . . . . 5221 1 928 . 1 1 166 166 ALA HA H 1 4.533 0.005 . 1 . . . . . . . . 5221 1 929 . 1 1 166 166 ALA HB1 H 1 1.304 0.005 . 1 . . . . . . . . 5221 1 930 . 1 1 166 166 ALA HB2 H 1 1.304 0.005 . 1 . . . . . . . . 5221 1 931 . 1 1 166 166 ALA HB3 H 1 1.304 0.005 . 1 . . . . . . . . 5221 1 932 . 1 1 167 167 SER CA C 13 61.028 0.05 . 1 . . . . . . . . 5221 1 933 . 1 1 167 167 SER C C 13 175.623 0.05 . 1 . . . . . . . . 5221 1 934 . 1 1 167 167 SER CB C 13 63.408 0.05 . 1 . . . . . . . . 5221 1 935 . 1 1 167 167 SER HA H 1 4.336 0.005 . 1 . . . . . . . . 5221 1 936 . 1 1 167 167 SER HB2 H 1 3.959 0.005 . 1 . . . . . . . . 5221 1 937 . 1 1 168 168 GLY N N 15 109.522 0.05 . 1 . . . . . . . . 5221 1 938 . 1 1 168 168 GLY H H 1 8.46 0.005 . 1 . . . . . . . . 5221 1 939 . 1 1 168 168 GLY CA C 13 45.367 0.05 . 1 . . . . . . . . 5221 1 940 . 1 1 168 168 GLY C C 13 175.414 0.05 . 1 . . . . . . . . 5221 1 941 . 1 1 168 168 GLY HA2 H 1 3.826 0.005 . 1 . . . . . . . . 5221 1 942 . 1 1 168 168 GLY HA3 H 1 4.121 0.005 . 1 . . . . . . . . 5221 1 943 . 1 1 169 169 SER N N 15 113.335 0.05 . 1 . . . . . . . . 5221 1 944 . 1 1 169 169 SER H H 1 7.728 0.005 . 1 . . . . . . . . 5221 1 945 . 1 1 169 169 SER CA C 13 56.119 0.05 . 1 . . . . . . . . 5221 1 946 . 1 1 169 169 SER CB C 13 63.819 0.05 . 1 . . . . . . . . 5221 1 947 . 1 1 169 169 SER HA H 1 4.512 0.005 . 1 . . . . . . . . 5221 1 948 . 1 1 169 169 SER HB2 H 1 3.725 0.005 . 1 . . . . . . . . 5221 1 949 . 1 1 170 170 SER CA C 13 57.908 0.05 . 1 . . . . . . . . 5221 1 950 . 1 1 170 170 SER C C 13 174.967 0.05 . 1 . . . . . . . . 5221 1 951 . 1 1 170 170 SER CB C 13 64.141 0.05 . 1 . . . . . . . . 5221 1 952 . 1 1 170 170 SER HA H 1 4.618 0.005 . 1 . . . . . . . . 5221 1 953 . 1 1 170 170 SER HB2 H 1 3.932 0.005 . 2 . . . . . . . . 5221 1 954 . 1 1 170 170 SER HB3 H 1 4.025 0.005 . 2 . . . . . . . . 5221 1 955 . 1 1 171 171 VAL N N 15 125.625 0.05 . 1 . . . . . . . . 5221 1 956 . 1 1 171 171 VAL H H 1 8.378 0.005 . 1 . . . . . . . . 5221 1 957 . 1 1 171 171 VAL CA C 13 62.973 0.05 . 1 . . . . . . . . 5221 1 958 . 1 1 171 171 VAL C C 13 176.531 0.05 . 1 . . . . . . . . 5221 1 959 . 1 1 171 171 VAL CB C 13 32.869 0.05 . 1 . . . . . . . . 5221 1 960 . 1 1 171 171 VAL CG1 C 13 21.799 0.05 . 1 . . . . . . . . 5221 1 961 . 1 1 171 171 VAL HA H 1 4.043 0.005 . 1 . . . . . . . . 5221 1 962 . 1 1 171 171 VAL HB H 1 1.992 0.005 . 1 . . . . . . . . 5221 1 963 . 1 1 171 171 VAL HG21 H 1 0.941 0.005 . 1 . . . . . . . . 5221 1 964 . 1 1 171 171 VAL HG22 H 1 0.941 0.005 . 1 . . . . . . . . 5221 1 965 . 1 1 171 171 VAL HG23 H 1 0.941 0.005 . 1 . . . . . . . . 5221 1 966 . 1 1 172 172 THR N N 15 118.146 0.05 . 1 . . . . . . . . 5221 1 967 . 1 1 172 172 THR H H 1 8.302 0.005 . 1 . . . . . . . . 5221 1 968 . 1 1 172 172 THR CA C 13 60.556 0.05 . 1 . . . . . . . . 5221 1 969 . 1 1 172 172 THR C C 13 175.945 0.05 . 1 . . . . . . . . 5221 1 970 . 1 1 172 172 THR CB C 13 71.476 0.05 . 1 . . . . . . . . 5221 1 971 . 1 1 172 172 THR HA H 1 4.207 0.005 . 1 . . . . . . . . 5221 1 972 . 1 1 173 173 ALA CA C 13 55.634 0.05 . 1 . . . . . . . . 5221 1 973 . 1 1 173 173 ALA C C 13 180.993 0.05 . 1 . . . . . . . . 5221 1 974 . 1 1 173 173 ALA CB C 13 18.072 0.05 . 1 . . . . . . . . 5221 1 975 . 1 1 173 173 ALA HA H 1 4.155 0.005 . 1 . . . . . . . . 5221 1 976 . 1 1 173 173 ALA HB1 H 1 1.505 0.005 . 1 . . . . . . . . 5221 1 977 . 1 1 173 173 ALA HB2 H 1 1.505 0.005 . 1 . . . . . . . . 5221 1 978 . 1 1 173 173 ALA HB3 H 1 1.505 0.005 . 1 . . . . . . . . 5221 1 979 . 1 1 174 174 GLU N N 15 117.747 0.05 . 1 . . . . . . . . 5221 1 980 . 1 1 174 174 GLU H H 1 8.604 0.005 . 1 . . . . . . . . 5221 1 981 . 1 1 174 174 GLU CA C 13 59.797 0.05 . 1 . . . . . . . . 5221 1 982 . 1 1 174 174 GLU C C 13 179.353 0.05 . 1 . . . . . . . . 5221 1 983 . 1 1 174 174 GLU CB C 13 29.273 0.05 . 1 . . . . . . . . 5221 1 984 . 1 1 174 174 GLU CG C 13 36.545 0.05 . 1 . . . . . . . . 5221 1 985 . 1 1 174 174 GLU HA H 1 4.032 0.005 . 1 . . . . . . . . 5221 1 986 . 1 1 175 175 GLU N N 15 121.452 0.05 . 1 . . . . . . . . 5221 1 987 . 1 1 175 175 GLU H H 1 7.87 0.005 . 1 . . . . . . . . 5221 1 988 . 1 1 175 175 GLU CA C 13 59.103 0.05 . 1 . . . . . . . . 5221 1 989 . 1 1 175 175 GLU C C 13 179.888 0.05 . 1 . . . . . . . . 5221 1 990 . 1 1 175 175 GLU CB C 13 29.924 0.05 . 1 . . . . . . . . 5221 1 991 . 1 1 175 175 GLU CG C 13 36.803 0.05 . 1 . . . . . . . . 5221 1 992 . 1 1 175 175 GLU HA H 1 3.96 0.005 . 1 . . . . . . . . 5221 1 993 . 1 1 176 176 ALA N N 15 122.666 0.05 . 1 . . . . . . . . 5221 1 994 . 1 1 176 176 ALA H H 1 8.305 0.005 . 1 . . . . . . . . 5221 1 995 . 1 1 176 176 ALA CA C 13 54.79 0.05 . 1 . . . . . . . . 5221 1 996 . 1 1 176 176 ALA C C 13 180.155 0.05 . 1 . . . . . . . . 5221 1 997 . 1 1 176 176 ALA CB C 13 18.592 0.05 . 1 . . . . . . . . 5221 1 998 . 1 1 176 176 ALA HA H 1 3.965 0.005 . 1 . . . . . . . . 5221 1 999 . 1 1 176 176 ALA HB1 H 1 1.439 0.005 . 1 . . . . . . . . 5221 1 1000 . 1 1 176 176 ALA HB2 H 1 1.439 0.005 . 1 . . . . . . . . 5221 1 1001 . 1 1 176 176 ALA HB3 H 1 1.439 0.005 . 1 . . . . . . . . 5221 1 1002 . 1 1 177 177 LYS N N 15 119.835 0.05 . 1 . . . . . . . . 5221 1 1003 . 1 1 177 177 LYS H H 1 7.961 0.005 . 1 . . . . . . . . 5221 1 1004 . 1 1 177 177 LYS CA C 13 59.091 0.05 . 1 . . . . . . . . 5221 1 1005 . 1 1 177 177 LYS C C 13 179.637 0.05 . 1 . . . . . . . . 5221 1 1006 . 1 1 177 177 LYS CB C 13 32.451 0.05 . 1 . . . . . . . . 5221 1 1007 . 1 1 177 177 LYS CG C 13 25.01 0.05 . 1 . . . . . . . . 5221 1 1008 . 1 1 177 177 LYS CD C 13 29.265 0.05 . 1 . . . . . . . . 5221 1 1009 . 1 1 177 177 LYS CE C 13 41.184 0.05 . 1 . . . . . . . . 5221 1 1010 . 1 1 177 177 LYS HA H 1 4.192 0.005 . 1 . . . . . . . . 5221 1 1011 . 1 1 178 178 LYS N N 15 120.439 0.05 . 1 . . . . . . . . 5221 1 1012 . 1 1 178 178 LYS H H 1 8.103 0.005 . 1 . . . . . . . . 5221 1 1013 . 1 1 178 178 LYS CA C 13 58.273 0.05 . 1 . . . . . . . . 5221 1 1014 . 1 1 178 178 LYS C C 13 178.556 0.05 . 1 . . . . . . . . 5221 1 1015 . 1 1 178 178 LYS CB C 13 32.309 0.05 . 1 . . . . . . . . 5221 1 1016 . 1 1 178 178 LYS CG C 13 25.194 0.05 . 1 . . . . . . . . 5221 1 1017 . 1 1 178 178 LYS CD C 13 29.247 0.05 . 1 . . . . . . . . 5221 1 1018 . 1 1 178 178 LYS HA H 1 4.056 0.005 . 1 . . . . . . . . 5221 1 1019 . 1 1 178 178 LYS HG2 H 1 1.496 0.005 . 2 . . . . . . . . 5221 1 1020 . 1 1 178 178 LYS HG3 H 1 1.582 0.005 . 2 . . . . . . . . 5221 1 1021 . 1 1 178 178 LYS HB2 H 1 1.9 0.005 . 1 . . . . . . . . 5221 1 1022 . 1 1 178 178 LYS HD3 H 1 1.685 0.005 . 1 . . . . . . . . 5221 1 1023 . 1 1 179 179 PHE N N 15 119.28 0.05 . 1 . . . . . . . . 5221 1 1024 . 1 1 179 179 PHE H H 1 7.85 0.005 . 1 . . . . . . . . 5221 1 1025 . 1 1 179 179 PHE CA C 13 60.947 0.05 . 1 . . . . . . . . 5221 1 1026 . 1 1 179 179 PHE C C 13 176.132 0.05 . 1 . . . . . . . . 5221 1 1027 . 1 1 179 179 PHE CB C 13 38.675 0.05 . 1 . . . . . . . . 5221 1 1028 . 1 1 179 179 PHE HA H 1 4.261 0.005 . 1 . . . . . . . . 5221 1 1029 . 1 1 180 180 LEU N N 15 124.403 0.05 . 1 . . . . . . . . 5221 1 1030 . 1 1 180 180 LEU H H 1 8.302 0.005 . 1 . . . . . . . . 5221 1 1031 . 1 1 180 180 LEU CA C 13 57.542 0.05 . 1 . . . . . . . . 5221 1 1032 . 1 1 180 180 LEU C C 13 175.748 0.05 . 1 . . . . . . . . 5221 1 1033 . 1 1 180 180 LEU CB C 13 39.83 0.05 . 1 . . . . . . . . 5221 1 1034 . 1 1 180 180 LEU HA H 1 4.646 0.005 . 1 . . . . . . . . 5221 1 1035 . 1 1 182 182 PRO CA C 13 63.166 0.05 . 1 . . . . . . . . 5221 1 1036 . 1 1 182 182 PRO C C 13 177.547 0.05 . 1 . . . . . . . . 5221 1 1037 . 1 1 182 182 PRO CB C 13 32.169 0.05 . 1 . . . . . . . . 5221 1 1038 . 1 1 182 182 PRO CG C 13 27.289 0.05 . 1 . . . . . . . . 5221 1 1039 . 1 1 182 182 PRO CD C 13 50.237 0.05 . 1 . . . . . . . . 5221 1 1040 . 1 1 182 182 PRO HA H 1 4.466 0.005 . 1 . . . . . . . . 5221 1 1041 . 1 1 182 182 PRO HB2 H 1 1.933 0.005 . 2 . . . . . . . . 5221 1 1042 . 1 1 182 182 PRO HB3 H 1 2.318 0.005 . 2 . . . . . . . . 5221 1 1043 . 1 1 182 182 PRO HD2 H 1 3.617 0.005 . 2 . . . . . . . . 5221 1 1044 . 1 1 182 182 PRO HD3 H 1 3.746 0.005 . 2 . . . . . . . . 5221 1 1045 . 1 1 182 182 PRO HG2 H 1 2.011 0.005 . 1 . . . . . . . . 5221 1 1046 . 1 1 183 183 LYS N N 15 121.743 0.05 . 1 . . . . . . . . 5221 1 1047 . 1 1 183 183 LYS H H 1 8.453 0.005 . 1 . . . . . . . . 5221 1 1048 . 1 1 183 183 LYS CA C 13 56.105 0.05 . 1 . . . . . . . . 5221 1 1049 . 1 1 183 183 LYS C C 13 175.916 0.05 . 1 . . . . . . . . 5221 1 1050 . 1 1 183 183 LYS CB C 13 32.963 0.05 . 1 . . . . . . . . 5221 1 1051 . 1 1 183 183 LYS CG C 13 24.6 0.05 . 1 . . . . . . . . 5221 1 1052 . 1 1 183 183 LYS CD C 13 28.886 0.05 . 1 . . . . . . . . 5221 1 1053 . 1 1 183 183 LYS CE C 13 42.074 0.05 . 1 . . . . . . . . 5221 1 1054 . 1 1 183 183 LYS HA H 1 4.285 0.005 . 1 . . . . . . . . 5221 1 1055 . 1 1 183 183 LYS HD2 H 1 1.625 0.005 . 2 . . . . . . . . 5221 1 1056 . 1 1 183 183 LYS HD3 H 1 1.71 0.005 . 2 . . . . . . . . 5221 1 1057 . 1 1 183 183 LYS HB2 H 1 1.851 0.005 . 1 . . . . . . . . 5221 1 1058 . 1 1 183 183 LYS HG2 H 1 1.429 0.005 . 1 . . . . . . . . 5221 1 1059 . 1 1 183 183 LYS HE2 H 1 2.93 0.005 . 1 . . . . . . . . 5221 1 1060 . 1 1 184 184 ASP N N 15 126.758 0.05 . 1 . . . . . . . . 5221 1 1061 . 1 1 184 184 ASP H H 1 7.86 0.005 . 1 . . . . . . . . 5221 1 1062 . 1 1 184 184 ASP CA C 13 55.807 0.05 . 1 . . . . . . . . 5221 1 1063 . 1 1 184 184 ASP CB C 13 32.869 0.05 . 1 . . . . . . . . 5221 1 1064 . 1 1 184 184 ASP HA H 1 4.344 0.005 . 1 . . . . . . . . 5221 1 1065 . 1 1 184 184 ASP HB2 H 1 2.583 0.005 . 1 . . . . . . . . 5221 1 stop_ save_