data_11036 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11036 _Entry.Title ; NMR solution structures of KAP-1PHD finger-bromodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-20 _Entry.Accession_date 2008-03-20 _Entry.Last_release_date 2008-11-11 _Entry.Original_release_date 2008-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lei Zeng . . . 11036 2 Kyoko Yap . L. . 11036 3 Alexey Ivanov . V. . 11036 4 Xueqi Wang . . . 11036 5 Shiraz Mujtaba . . . 11036 6 Olga Plotnikova . . . 11036 7 Frank Rauscher . J. . 11036 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Bromodomain . 11036 KAP . 11036 'PHD finger' . 11036 SUMO . 11036 TIF . 11036 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11036 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 618 11036 '15N chemical shifts' 188 11036 '1H chemical shifts' 1192 11036 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 . . 2008-11-11 2008-03-20 original author . 11036 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11036 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18488044 _Citation.Full_citation . _Citation.Title 'Structural insights into human KAP1 PHD finger-bromodomain and its role in gene silencing.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 6 _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 626 _Citation.Page_last 633 _Citation.Year 2008 _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 Lei Zeng . . . 11036 1 2 Kyoko Yap . L. . 11036 1 3 Alexey Ivanov . V. . 11036 1 4 Xueqi Wang . . . 11036 1 5 Shiraz Mujtaba . . . 11036 1 6 Olga Plotnikova . . . 11036 1 7 Frank Rauscher . J. . 11036 1 8 Ming-Ming Zhou . . . 11036 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11036 _Assembly.ID 1 _Assembly.Name 'KAP1 PHD Bromodomains' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KAP1 PHD Bromodomains' 1 $entity_1 A . yes native no no . . . 11036 1 2 'ZINC ION No.1' 2 $ZN B . no native no no . . . 11036 1 3 'ZINC ION No.2' 2 $ZN C . no native no no . . . 11036 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'KAP1 PHD Bromodomains' 1 CYS 5 5 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 628 CYS SG . . . . ZN 11036 1 2 coordination single . 1 'KAP1 PHD Bromodomains' 1 CYS 8 8 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 631 CYS SG . . . . ZN 11036 1 3 coordination single . 1 'KAP1 PHD Bromodomains' 1 CYS 17 17 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 640 CYS SG . . . . ZN 11036 1 4 coordination single . 1 'KAP1 PHD Bromodomains' 1 CYS 20 20 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 643 CYS SG . . . . ZN 11036 1 5 coordination single . 1 'KAP1 PHD Bromodomains' 1 HIS 25 25 ND1 . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 648 HIS ND1 . . . . ZN 11036 1 6 coordination single . 1 'KAP1 PHD Bromodomains' 1 CYS 28 28 SG . 2 'ZINC ION No.1' 2 ZN 1 1 ZN . . 651 CYS SG . . . . ZN 11036 1 7 coordination single . 1 'KAP1 PHD Bromodomains' 1 CYS 43 43 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 666 CYS SG . . . . ZN 11036 1 8 coordination single . 1 'KAP1 PHD Bromodomains' 1 CYS 46 46 SG . 3 'ZINC ION No.2' 2 ZN 1 1 ZN . . 669 CYS SG . . . . ZN 11036 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 43 43 HG . 666 CYS HG 11036 1 . . 1 1 CYS 46 46 HG . 669 CYS HG 11036 1 . . 1 1 HIS 25 25 HD1 . 648 HIS HD1 11036 1 . . 1 1 CYS 28 28 HG . 651 CYS HG 11036 1 . . 1 1 CYS 17 17 HG . 640 CYS HG 11036 1 . . 1 1 CYS 20 20 HG . 643 CYS HG 11036 1 . . 1 1 CYS 5 5 HG . 628 CYS HG 11036 1 . . 1 1 CYS 8 8 HG . 631 CYS HG 11036 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11036 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'KAP1 PHD Bromodomains' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SATICRVCQKPGDLVMCNQC EFCFHLDCHLPALQDVPGEE WSCSLCHVLPDLKEEDGSLS LDGADSTGVVAKLSPANQRK CERVLLALFCHEPCRPLHQL ATDSTFSLDQPGGTLDLTLI RARLQEKLSPPYSSPQEFAQ DVGRMFKQFNKLTEDKADVQ SIIGLQRFFETRMNEAFGDT KFSAVLVEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21043.086 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RO1 . "Nmr Solution Structures Of Human Kap1 Phd Finger-Bromodomain" . . . . . 100.00 189 100.00 100.00 7.19e-135 . . . . 11036 1 2 no DBJ BAC40742 . "unnamed protein product [Mus musculus]" . . . . . 100.00 240 98.41 100.00 2.12e-133 . . . . 11036 1 3 no DBJ BAE24661 . "unnamed protein product [Mus musculus]" . . . . . 100.00 834 98.41 100.00 2.87e-128 . . . . 11036 1 4 no DBJ BAE29223 . "unnamed protein product [Mus musculus]" . . . . . 100.00 631 97.88 99.47 3.51e-129 . . . . 11036 1 5 no DBJ BAG11035 . "tripartite motif-containing protein 28 [synthetic construct]" . . . . . 100.00 835 100.00 100.00 7.75e-130 . . . . 11036 1 6 no DBJ BAG36262 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 835 100.00 100.00 7.66e-130 . . . . 11036 1 7 no EMBL CAA66150 . "TIF1beta zinc finger protein [Homo sapiens]" . . . . . 100.00 835 100.00 100.00 7.75e-130 . . . . 11036 1 8 no EMBL CAA67963 . "TIF1 beta protein [Mus musculus]" . . . . . 100.00 834 98.41 100.00 2.87e-128 . . . . 11036 1 9 no GB AAA74954 . "unknown [Homo sapiens]" . . . . . 100.00 350 100.00 100.00 1.88e-135 . . . . 11036 1 10 no GB AAB17272 . "KRAB-A interacting protein [Mus musculus]" . . . . . 100.00 834 98.41 100.00 2.53e-128 . . . . 11036 1 11 no GB AAB37341 . "nuclear corepressor KAP-1 [Homo sapiens]" . . . . . 100.00 835 100.00 100.00 7.75e-130 . . . . 11036 1 12 no GB AAB51517 . "hKAP1/TIF1B [Homo sapiens]" . . . . . 100.00 835 100.00 100.00 7.75e-130 . . . . 11036 1 13 no GB AAG02638 . "transcriptional corepressor TIF1beta [Mus musculus]" . . . . . 100.00 834 98.41 100.00 2.87e-128 . . . . 11036 1 14 no REF NP_001193738 . "transcription intermediary factor 1-beta [Bos taurus]" . . . . . 100.00 812 97.35 98.41 2.39e-125 . . . . 11036 1 15 no REF NP_005753 . "transcription intermediary factor 1-beta [Homo sapiens]" . . . . . 100.00 835 100.00 100.00 7.75e-130 . . . . 11036 1 16 no REF NP_035718 . "transcription intermediary factor 1-beta [Mus musculus]" . . . . . 100.00 834 98.41 100.00 2.87e-128 . . . . 11036 1 17 no REF NP_446368 . "transcription intermediary factor 1-beta [Rattus norvegicus]" . . . . . 100.00 835 97.88 100.00 7.79e-128 . . . . 11036 1 18 no REF XP_001098702 . "PREDICTED: transcription intermediary factor 1-beta isoform 4 [Macaca mulatta]" . . . . . 100.00 965 100.00 100.00 3.28e-128 . . . . 11036 1 19 no SP O08629 . "RecName: Full=Transcription intermediary factor 1-beta; Short=TIF1-beta; AltName: Full=E3 SUMO-protein ligase TRIM28; AltName: " . . . . . 100.00 835 97.88 100.00 7.79e-128 . . . . 11036 1 20 no SP Q13263 . "RecName: Full=Transcription intermediary factor 1-beta; Short=TIF1-beta; AltName: Full=E3 SUMO-protein ligase TRIM28; AltName: " . . . . . 100.00 835 100.00 100.00 7.75e-130 . . . . 11036 1 21 no SP Q62318 . "RecName: Full=Transcription intermediary factor 1-beta; Short=TIF1-beta; AltName: Full=E3 SUMO-protein ligase TRIM28; AltName: " . . . . . 100.00 834 98.41 100.00 2.87e-128 . . . . 11036 1 22 no TPG DAA19313 . "TPA: tripartite motif-containing 28 [Bos taurus]" . . . . . 100.00 780 97.35 98.41 2.02e-126 . . . . 11036 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 1 624 SER . 11036 1 2 625 ALA . 11036 1 3 626 THR . 11036 1 4 627 ILE . 11036 1 5 628 CYS . 11036 1 6 629 ARG . 11036 1 7 630 VAL . 11036 1 8 631 CYS . 11036 1 9 632 GLN . 11036 1 10 633 LYS . 11036 1 11 634 PRO . 11036 1 12 635 GLY . 11036 1 13 636 ASP . 11036 1 14 637 LEU . 11036 1 15 638 VAL . 11036 1 16 639 MET . 11036 1 17 640 CYS . 11036 1 18 641 ASN . 11036 1 19 642 GLN . 11036 1 20 643 CYS . 11036 1 21 644 GLU . 11036 1 22 645 PHE . 11036 1 23 646 CYS . 11036 1 24 647 PHE . 11036 1 25 648 HIS . 11036 1 26 649 LEU . 11036 1 27 650 ASP . 11036 1 28 651 CYS . 11036 1 29 652 HIS . 11036 1 30 653 LEU . 11036 1 31 654 PRO . 11036 1 32 655 ALA . 11036 1 33 656 LEU . 11036 1 34 657 GLN . 11036 1 35 658 ASP . 11036 1 36 659 VAL . 11036 1 37 660 PRO . 11036 1 38 661 GLY . 11036 1 39 662 GLU . 11036 1 40 663 GLU . 11036 1 41 664 TRP . 11036 1 42 665 SER . 11036 1 43 666 CYS . 11036 1 44 667 SER . 11036 1 45 668 LEU . 11036 1 46 669 CYS . 11036 1 47 670 HIS . 11036 1 48 671 VAL . 11036 1 49 672 LEU . 11036 1 50 673 PRO . 11036 1 51 674 ASP . 11036 1 52 675 LEU . 11036 1 53 676 LYS . 11036 1 54 677 GLU . 11036 1 55 678 GLU . 11036 1 56 679 ASP . 11036 1 57 680 GLY . 11036 1 58 681 SER . 11036 1 59 682 LEU . 11036 1 60 683 SER . 11036 1 61 684 LEU . 11036 1 62 685 ASP . 11036 1 63 686 GLY . 11036 1 64 687 ALA . 11036 1 65 688 ASP . 11036 1 66 689 SER . 11036 1 67 690 THR . 11036 1 68 691 GLY . 11036 1 69 692 VAL . 11036 1 70 693 VAL . 11036 1 71 694 ALA . 11036 1 72 695 LYS . 11036 1 73 696 LEU . 11036 1 74 697 SER . 11036 1 75 698 PRO . 11036 1 76 699 ALA . 11036 1 77 700 ASN . 11036 1 78 701 GLN . 11036 1 79 702 ARG . 11036 1 80 703 LYS . 11036 1 81 704 CYS . 11036 1 82 705 GLU . 11036 1 83 706 ARG . 11036 1 84 707 VAL . 11036 1 85 708 LEU . 11036 1 86 709 LEU . 11036 1 87 710 ALA . 11036 1 88 711 LEU . 11036 1 89 712 PHE . 11036 1 90 713 CYS . 11036 1 91 714 HIS . 11036 1 92 715 GLU . 11036 1 93 716 PRO . 11036 1 94 717 CYS . 11036 1 95 718 ARG . 11036 1 96 719 PRO . 11036 1 97 720 LEU . 11036 1 98 721 HIS . 11036 1 99 722 GLN . 11036 1 100 723 LEU . 11036 1 101 724 ALA . 11036 1 102 725 THR . 11036 1 103 726 ASP . 11036 1 104 727 SER . 11036 1 105 728 THR . 11036 1 106 729 PHE . 11036 1 107 730 SER . 11036 1 108 731 LEU . 11036 1 109 732 ASP . 11036 1 110 733 GLN . 11036 1 111 734 PRO . 11036 1 112 735 GLY . 11036 1 113 736 GLY . 11036 1 114 737 THR . 11036 1 115 738 LEU . 11036 1 116 739 ASP . 11036 1 117 740 LEU . 11036 1 118 741 THR . 11036 1 119 742 LEU . 11036 1 120 743 ILE . 11036 1 121 744 ARG . 11036 1 122 745 ALA . 11036 1 123 746 ARG . 11036 1 124 747 LEU . 11036 1 125 748 GLN . 11036 1 126 749 GLU . 11036 1 127 750 LYS . 11036 1 128 751 LEU . 11036 1 129 752 SER . 11036 1 130 753 PRO . 11036 1 131 754 PRO . 11036 1 132 755 TYR . 11036 1 133 756 SER . 11036 1 134 757 SER . 11036 1 135 758 PRO . 11036 1 136 759 GLN . 11036 1 137 760 GLU . 11036 1 138 761 PHE . 11036 1 139 762 ALA . 11036 1 140 763 GLN . 11036 1 141 764 ASP . 11036 1 142 765 VAL . 11036 1 143 766 GLY . 11036 1 144 767 ARG . 11036 1 145 768 MET . 11036 1 146 769 PHE . 11036 1 147 770 LYS . 11036 1 148 771 GLN . 11036 1 149 772 PHE . 11036 1 150 773 ASN . 11036 1 151 774 LYS . 11036 1 152 775 LEU . 11036 1 153 776 THR . 11036 1 154 777 GLU . 11036 1 155 778 ASP . 11036 1 156 779 LYS . 11036 1 157 780 ALA . 11036 1 158 781 ASP . 11036 1 159 782 VAL . 11036 1 160 783 GLN . 11036 1 161 784 SER . 11036 1 162 785 ILE . 11036 1 163 786 ILE . 11036 1 164 787 GLY . 11036 1 165 788 LEU . 11036 1 166 789 GLN . 11036 1 167 790 ARG . 11036 1 168 791 PHE . 11036 1 169 792 PHE . 11036 1 170 793 GLU . 11036 1 171 794 THR . 11036 1 172 795 ARG . 11036 1 173 796 MET . 11036 1 174 797 ASN . 11036 1 175 798 GLU . 11036 1 176 799 ALA . 11036 1 177 800 PHE . 11036 1 178 801 GLY . 11036 1 179 802 ASP . 11036 1 180 803 THR . 11036 1 181 804 LYS . 11036 1 182 805 PHE . 11036 1 183 806 SER . 11036 1 184 807 ALA . 11036 1 185 808 VAL . 11036 1 186 809 LEU . 11036 1 187 800 VAL . 11036 1 188 811 GLU . 11036 1 189 812 PRO . 11036 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 11036 1 . ALA 2 2 11036 1 . THR 3 3 11036 1 . ILE 4 4 11036 1 . CYS 5 5 11036 1 . ARG 6 6 11036 1 . VAL 7 7 11036 1 . CYS 8 8 11036 1 . GLN 9 9 11036 1 . LYS 10 10 11036 1 . PRO 11 11 11036 1 . GLY 12 12 11036 1 . ASP 13 13 11036 1 . LEU 14 14 11036 1 . VAL 15 15 11036 1 . MET 16 16 11036 1 . CYS 17 17 11036 1 . ASN 18 18 11036 1 . GLN 19 19 11036 1 . CYS 20 20 11036 1 . GLU 21 21 11036 1 . PHE 22 22 11036 1 . CYS 23 23 11036 1 . PHE 24 24 11036 1 . HIS 25 25 11036 1 . LEU 26 26 11036 1 . ASP 27 27 11036 1 . CYS 28 28 11036 1 . HIS 29 29 11036 1 . LEU 30 30 11036 1 . PRO 31 31 11036 1 . ALA 32 32 11036 1 . LEU 33 33 11036 1 . GLN 34 34 11036 1 . ASP 35 35 11036 1 . VAL 36 36 11036 1 . PRO 37 37 11036 1 . GLY 38 38 11036 1 . GLU 39 39 11036 1 . GLU 40 40 11036 1 . TRP 41 41 11036 1 . SER 42 42 11036 1 . CYS 43 43 11036 1 . SER 44 44 11036 1 . LEU 45 45 11036 1 . CYS 46 46 11036 1 . HIS 47 47 11036 1 . VAL 48 48 11036 1 . LEU 49 49 11036 1 . PRO 50 50 11036 1 . ASP 51 51 11036 1 . LEU 52 52 11036 1 . LYS 53 53 11036 1 . GLU 54 54 11036 1 . GLU 55 55 11036 1 . ASP 56 56 11036 1 . GLY 57 57 11036 1 . SER 58 58 11036 1 . LEU 59 59 11036 1 . SER 60 60 11036 1 . LEU 61 61 11036 1 . ASP 62 62 11036 1 . GLY 63 63 11036 1 . ALA 64 64 11036 1 . ASP 65 65 11036 1 . SER 66 66 11036 1 . THR 67 67 11036 1 . GLY 68 68 11036 1 . VAL 69 69 11036 1 . VAL 70 70 11036 1 . ALA 71 71 11036 1 . LYS 72 72 11036 1 . LEU 73 73 11036 1 . SER 74 74 11036 1 . PRO 75 75 11036 1 . ALA 76 76 11036 1 . ASN 77 77 11036 1 . GLN 78 78 11036 1 . ARG 79 79 11036 1 . LYS 80 80 11036 1 . CYS 81 81 11036 1 . GLU 82 82 11036 1 . ARG 83 83 11036 1 . VAL 84 84 11036 1 . LEU 85 85 11036 1 . LEU 86 86 11036 1 . ALA 87 87 11036 1 . LEU 88 88 11036 1 . PHE 89 89 11036 1 . CYS 90 90 11036 1 . HIS 91 91 11036 1 . GLU 92 92 11036 1 . PRO 93 93 11036 1 . CYS 94 94 11036 1 . ARG 95 95 11036 1 . PRO 96 96 11036 1 . LEU 97 97 11036 1 . HIS 98 98 11036 1 . GLN 99 99 11036 1 . LEU 100 100 11036 1 . ALA 101 101 11036 1 . THR 102 102 11036 1 . ASP 103 103 11036 1 . SER 104 104 11036 1 . THR 105 105 11036 1 . PHE 106 106 11036 1 . SER 107 107 11036 1 . LEU 108 108 11036 1 . ASP 109 109 11036 1 . GLN 110 110 11036 1 . PRO 111 111 11036 1 . GLY 112 112 11036 1 . GLY 113 113 11036 1 . THR 114 114 11036 1 . LEU 115 115 11036 1 . ASP 116 116 11036 1 . LEU 117 117 11036 1 . THR 118 118 11036 1 . LEU 119 119 11036 1 . ILE 120 120 11036 1 . ARG 121 121 11036 1 . ALA 122 122 11036 1 . ARG 123 123 11036 1 . LEU 124 124 11036 1 . GLN 125 125 11036 1 . GLU 126 126 11036 1 . LYS 127 127 11036 1 . LEU 128 128 11036 1 . SER 129 129 11036 1 . PRO 130 130 11036 1 . PRO 131 131 11036 1 . TYR 132 132 11036 1 . SER 133 133 11036 1 . SER 134 134 11036 1 . PRO 135 135 11036 1 . GLN 136 136 11036 1 . GLU 137 137 11036 1 . PHE 138 138 11036 1 . ALA 139 139 11036 1 . GLN 140 140 11036 1 . ASP 141 141 11036 1 . VAL 142 142 11036 1 . GLY 143 143 11036 1 . ARG 144 144 11036 1 . MET 145 145 11036 1 . PHE 146 146 11036 1 . LYS 147 147 11036 1 . GLN 148 148 11036 1 . PHE 149 149 11036 1 . ASN 150 150 11036 1 . LYS 151 151 11036 1 . LEU 152 152 11036 1 . THR 153 153 11036 1 . GLU 154 154 11036 1 . ASP 155 155 11036 1 . LYS 156 156 11036 1 . ALA 157 157 11036 1 . ASP 158 158 11036 1 . VAL 159 159 11036 1 . GLN 160 160 11036 1 . SER 161 161 11036 1 . ILE 162 162 11036 1 . ILE 163 163 11036 1 . GLY 164 164 11036 1 . LEU 165 165 11036 1 . GLN 166 166 11036 1 . ARG 167 167 11036 1 . PHE 168 168 11036 1 . PHE 169 169 11036 1 . GLU 170 170 11036 1 . THR 171 171 11036 1 . ARG 172 172 11036 1 . MET 173 173 11036 1 . ASN 174 174 11036 1 . GLU 175 175 11036 1 . ALA 176 176 11036 1 . PHE 177 177 11036 1 . GLY 178 178 11036 1 . ASP 179 179 11036 1 . THR 180 180 11036 1 . LYS 181 181 11036 1 . PHE 182 182 11036 1 . SER 183 183 11036 1 . ALA 184 184 11036 1 . VAL 185 185 11036 1 . LEU 186 186 11036 1 . VAL 187 187 11036 1 . GLU 188 188 11036 1 . PRO 189 189 11036 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11036 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 11036 2 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 11036 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11036 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 11036 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX4T3 . . . . . . 11036 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 11036 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 11036 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 11036 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 11036 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 11036 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 11036 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 11036 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11036 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '99.9% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KAP1 PHD Bromodomains' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . protein 0.5 . . mM . . . . 11036 1 2 NaCl 'natural abundance' . . . . . salt 200 . . mM . . . . 11036 1 3 D2O . . . . . . solvent 99.9 . . % . . . . 11036 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11036 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 11036 1 pH 6.5 . pH 11036 1 pressure 1 . atm 11036 1 temperature 303 . K 11036 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11036 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11036 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11036 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 11036 _Software.ID 2 _Software.Name ARIA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 11036 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11036 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11036 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11036 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11036 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11036 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 11036 1 2 spectrometer_2 Bruker DRX . 600 . . . 11036 1 3 spectrometer_3 Bruker Avance . 800 . . . 11036 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 11036 _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 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11036 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11036 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11036 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.00 . indirect 0.25144954 . . . . . . . . . 11036 1 H 1 water protons . . . . ppm 4.79 internal direct 1.0 . . . . . . . . . 11036 1 N 15 TMS 'methyl protons' . . . . ppm 0.00 . indirect 0.1013291444 . . . . . . . . . 11036 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11036 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 11036 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA CA C 13 52.969 0.4 . 1 . . . . 625 ALA CA . 11036 1 2 . 1 1 2 2 ALA HA H 1 4.493 0.04 . 1 . . . . 625 ALA HA . 11036 1 3 . 1 1 2 2 ALA CB C 13 19.272 0.4 . 1 . . . . 625 ALA CB . 11036 1 4 . 1 1 2 2 ALA HB1 H 1 1.417 0.04 . 1 . . . . 625 ALA HB1 . 11036 1 5 . 1 1 2 2 ALA HB2 H 1 1.417 0.04 . 1 . . . . 625 ALA HB1 . 11036 1 6 . 1 1 2 2 ALA HB3 H 1 1.417 0.04 . 1 . . . . 625 ALA HB1 . 11036 1 7 . 1 1 3 3 THR N N 15 113.570 0.4 . 1 . . . . 626 THR N . 11036 1 8 . 1 1 3 3 THR H H 1 8.176 0.04 . 1 . . . . 626 THR HN . 11036 1 9 . 1 1 3 3 THR CA C 13 61.314 0.4 . 1 . . . . 626 THR CA . 11036 1 10 . 1 1 3 3 THR HA H 1 4.298 0.04 . 1 . . . . 626 THR HA . 11036 1 11 . 1 1 3 3 THR CB C 13 69.270 0.4 . 1 . . . . 626 THR CB . 11036 1 12 . 1 1 3 3 THR HB H 1 4.187 0.04 . 1 . . . . 626 THR HB . 11036 1 13 . 1 1 3 3 THR CG2 C 13 22.240 0.4 . 1 . . . . 626 THR CG2 . 11036 1 14 . 1 1 3 3 THR HG21 H 1 1.188 0.04 . 1 . . . . 626 THR HG21 . 11036 1 15 . 1 1 3 3 THR HG22 H 1 1.188 0.04 . 1 . . . . 626 THR HG21 . 11036 1 16 . 1 1 3 3 THR HG23 H 1 1.188 0.04 . 1 . . . . 626 THR HG21 . 11036 1 17 . 1 1 4 4 ILE N N 15 115.272 0.4 . 1 . . . . 627 ILE N . 11036 1 18 . 1 1 4 4 ILE H H 1 7.549 0.04 . 1 . . . . 627 ILE HN . 11036 1 19 . 1 1 4 4 ILE CA C 13 58.731 0.4 . 1 . . . . 627 ILE CA . 11036 1 20 . 1 1 4 4 ILE HA H 1 4.258 0.04 . 1 . . . . 627 ILE HA . 11036 1 21 . 1 1 4 4 ILE CB C 13 42.246 0.4 . 1 . . . . 627 ILE CB . 11036 1 22 . 1 1 4 4 ILE HB H 1 1.266 0.04 . 1 . . . . 627 ILE HB . 11036 1 23 . 1 1 4 4 ILE CG1 C 13 24.883 0.4 . 1 . . . . 627 ILE CG1 . 11036 1 24 . 1 1 4 4 ILE HG13 H 1 0.942 0.04 . 1 . . . . 627 ILE HG12 . 11036 1 25 . 1 1 4 4 ILE HG12 H 1 1.067 0.04 . 1 . . . . 627 ILE HG11 . 11036 1 26 . 1 1 4 4 ILE CD1 C 13 13.018 0.4 . 1 . . . . 627 ILE CD1 . 11036 1 27 . 1 1 4 4 ILE HD11 H 1 0.675 0.04 . 1 . . . . 627 ILE HD11 . 11036 1 28 . 1 1 4 4 ILE HD12 H 1 0.675 0.04 . 1 . . . . 627 ILE HD11 . 11036 1 29 . 1 1 4 4 ILE HD13 H 1 0.675 0.04 . 1 . . . . 627 ILE HD11 . 11036 1 30 . 1 1 4 4 ILE CG2 C 13 18.219 0.4 . 1 . . . . 627 ILE CG2 . 11036 1 31 . 1 1 4 4 ILE HG21 H 1 0.617 0.04 . 1 . . . . 627 ILE HG21 . 11036 1 32 . 1 1 4 4 ILE HG22 H 1 0.617 0.04 . 1 . . . . 627 ILE HG21 . 11036 1 33 . 1 1 4 4 ILE HG23 H 1 0.617 0.04 . 1 . . . . 627 ILE HG21 . 11036 1 34 . 1 1 5 5 CYS N N 15 124.095 0.4 . 1 . . . . 628 CYS N . 11036 1 35 . 1 1 5 5 CYS H H 1 7.766 0.04 . 1 . . . . 628 CYS HN . 11036 1 36 . 1 1 5 5 CYS CA C 13 57.978 0.4 . 1 . . . . 628 CYS CA . 11036 1 37 . 1 1 5 5 CYS HA H 1 3.781 0.04 . 1 . . . . 628 CYS HA . 11036 1 38 . 1 1 5 5 CYS CB C 13 31.436 0.4 . 1 . . . . 628 CYS CB . 11036 1 39 . 1 1 5 5 CYS HB3 H 1 2.260 0.04 . 2 . . . . 628 CYS HB2 . 11036 1 40 . 1 1 5 5 CYS HB2 H 1 3.419 0.04 . 2 . . . . 628 CYS HB1 . 11036 1 41 . 1 1 6 6 ARG N N 15 129.928 0.4 . 1 . . . . 629 ARG N . 11036 1 42 . 1 1 6 6 ARG H H 1 9.040 0.04 . 1 . . . . 629 ARG HN . 11036 1 43 . 1 1 6 6 ARG CA C 13 57.514 0.4 . 1 . . . . 629 ARG CA . 11036 1 44 . 1 1 6 6 ARG HA H 1 3.900 0.04 . 1 . . . . 629 ARG HA . 11036 1 45 . 1 1 6 6 ARG CB C 13 30.251 0.4 . 1 . . . . 629 ARG CB . 11036 1 46 . 1 1 6 6 ARG HB3 H 1 1.488 0.04 . 2 . . . . 629 ARG HB2 . 11036 1 47 . 1 1 6 6 ARG HB2 H 1 1.729 0.04 . 2 . . . . 629 ARG HB1 . 11036 1 48 . 1 1 6 6 ARG CG C 13 26.766 0.4 . 1 . . . . 629 ARG CG . 11036 1 49 . 1 1 6 6 ARG HG3 H 1 1.304 0.04 . 2 . . . . 629 ARG HG2 . 11036 1 50 . 1 1 6 6 ARG HG2 H 1 1.423 0.04 . 2 . . . . 629 ARG HG1 . 11036 1 51 . 1 1 6 6 ARG CD C 13 42.458 0.4 . 1 . . . . 629 ARG CD . 11036 1 52 . 1 1 6 6 ARG HD3 H 1 2.598 0.04 . 2 . . . . 629 ARG HD2 . 11036 1 53 . 1 1 6 6 ARG HD2 H 1 2.646 0.04 . 2 . . . . 629 ARG HD1 . 11036 1 54 . 1 1 7 7 VAL N N 15 118.166 0.4 . 1 . . . . 630 VAL N . 11036 1 55 . 1 1 7 7 VAL H H 1 8.734 0.04 . 1 . . . . 630 VAL HN . 11036 1 56 . 1 1 7 7 VAL CA C 13 65.770 0.4 . 1 . . . . 630 VAL CA . 11036 1 57 . 1 1 7 7 VAL HA H 1 4.137 0.04 . 1 . . . . 630 VAL HA . 11036 1 58 . 1 1 7 7 VAL CB C 13 33.079 0.4 . 1 . . . . 630 VAL CB . 11036 1 59 . 1 1 7 7 VAL HB H 1 2.362 0.04 . 1 . . . . 630 VAL HB . 11036 1 60 . 1 1 7 7 VAL CG2 C 13 22.474 0.4 . 1 . . . . 630 VAL CG2 . 11036 1 61 . 1 1 7 7 VAL HG21 H 1 1.200 0.04 . 2 . . . . 630 VAL HG21 . 11036 1 62 . 1 1 7 7 VAL HG22 H 1 1.200 0.04 . 2 . . . . 630 VAL HG21 . 11036 1 63 . 1 1 7 7 VAL HG23 H 1 1.200 0.04 . 2 . . . . 630 VAL HG21 . 11036 1 64 . 1 1 7 7 VAL CG1 C 13 21.100 0.4 . 1 . . . . 630 VAL CG1 . 11036 1 65 . 1 1 7 7 VAL HG11 H 1 0.904 0.04 . 2 . . . . 630 VAL HG11 . 11036 1 66 . 1 1 7 7 VAL HG12 H 1 0.904 0.04 . 2 . . . . 630 VAL HG11 . 11036 1 67 . 1 1 7 7 VAL HG13 H 1 0.904 0.04 . 2 . . . . 630 VAL HG11 . 11036 1 68 . 1 1 8 8 CYS N N 15 116.148 0.4 . 1 . . . . 631 CYS N . 11036 1 69 . 1 1 8 8 CYS H H 1 8.143 0.04 . 1 . . . . 631 CYS HN . 11036 1 70 . 1 1 8 8 CYS CA C 13 59.154 0.4 . 1 . . . . 631 CYS CA . 11036 1 71 . 1 1 8 8 CYS HA H 1 5.105 0.04 . 1 . . . . 631 CYS HA . 11036 1 72 . 1 1 8 8 CYS CB C 13 31.184 0.4 . 1 . . . . 631 CYS CB . 11036 1 73 . 1 1 8 8 CYS HB3 H 1 2.946 0.04 . 2 . . . . 631 CYS HB2 . 11036 1 74 . 1 1 8 8 CYS HB2 H 1 3.373 0.04 . 2 . . . . 631 CYS HB1 . 11036 1 75 . 1 1 9 9 GLN N N 15 115.248 0.4 . 1 . . . . 632 GLN N . 11036 1 76 . 1 1 9 9 GLN H H 1 8.132 0.04 . 1 . . . . 632 GLN HN . 11036 1 77 . 1 1 9 9 GLN CA C 13 57.404 0.4 . 1 . . . . 632 GLN CA . 11036 1 78 . 1 1 9 9 GLN HA H 1 4.068 0.04 . 1 . . . . 632 GLN HA . 11036 1 79 . 1 1 9 9 GLN CB C 13 26.002 0.4 . 1 . . . . 632 GLN CB . 11036 1 80 . 1 1 9 9 GLN HB3 H 1 2.300 0.04 . 2 . . . . 632 GLN HB2 . 11036 1 81 . 1 1 9 9 GLN HB2 H 1 2.445 0.04 . 2 . . . . 632 GLN HB1 . 11036 1 82 . 1 1 9 9 GLN CG C 13 34.448 0.4 . 1 . . . . 632 GLN CG . 11036 1 83 . 1 1 9 9 GLN HG3 H 1 2.065 0.04 . 2 . . . . 632 GLN HG2 . 11036 1 84 . 1 1 9 9 GLN HG2 H 1 2.141 0.04 . 2 . . . . 632 GLN HG1 . 11036 1 85 . 1 1 9 9 GLN NE2 N 15 112.964 0.4 . 1 . . . . 632 GLN NE2 . 11036 1 86 . 1 1 9 9 GLN HE21 H 1 7.237 0.04 . 2 . . . . 632 GLN HE21 . 11036 1 87 . 1 1 9 9 GLN HE22 H 1 6.826 0.04 . 2 . . . . 632 GLN HE22 . 11036 1 88 . 1 1 10 10 LYS N N 15 118.420 0.4 . 1 . . . . 633 LYS N . 11036 1 89 . 1 1 10 10 LYS H H 1 8.091 0.04 . 1 . . . . 633 LYS HN . 11036 1 90 . 1 1 10 10 LYS CA C 13 53.835 0.4 . 1 . . . . 633 LYS CA . 11036 1 91 . 1 1 10 10 LYS HA H 1 5.046 0.04 . 1 . . . . 633 LYS HA . 11036 1 92 . 1 1 10 10 LYS CB C 13 33.312 0.4 . 1 . . . . 633 LYS CB . 11036 1 93 . 1 1 10 10 LYS HB3 H 1 2.097 0.04 . 2 . . . . 633 LYS HB2 . 11036 1 94 . 1 1 10 10 LYS HB2 H 1 2.252 0.04 . 2 . . . . 633 LYS HB1 . 11036 1 95 . 1 1 10 10 LYS CG C 13 25.049 0.4 . 1 . . . . 633 LYS CG . 11036 1 96 . 1 1 10 10 LYS HG3 H 1 1.558 0.04 . 2 . . . . 633 LYS HG2 . 11036 1 97 . 1 1 10 10 LYS HG2 H 1 1.684 0.04 . 2 . . . . 633 LYS HG1 . 11036 1 98 . 1 1 10 10 LYS CD C 13 28.824 0.4 . 1 . . . . 633 LYS CD . 11036 1 99 . 1 1 10 10 LYS HD2 H 1 1.757 0.04 . 2 . . . . 633 LYS HD1 . 11036 1 100 . 1 1 10 10 LYS CE C 13 42.012 0.4 . 1 . . . . 633 LYS CE . 11036 1 101 . 1 1 10 10 LYS HE2 H 1 3.068 0.04 . 2 . . . . 633 LYS HE1 . 11036 1 102 . 1 1 11 11 PRO CA C 13 62.136 0.4 . 1 . . . . 634 PRO CA . 11036 1 103 . 1 1 11 11 PRO HA H 1 5.056 0.04 . 1 . . . . 634 PRO HA . 11036 1 104 . 1 1 11 11 PRO CB C 13 33.061 0.4 . 1 . . . . 634 PRO CB . 11036 1 105 . 1 1 11 11 PRO HB3 H 1 2.265 0.04 . 2 . . . . 634 PRO HB2 . 11036 1 106 . 1 1 11 11 PRO HB2 H 1 2.332 0.04 . 2 . . . . 634 PRO HB1 . 11036 1 107 . 1 1 11 11 PRO CG C 13 26.237 0.4 . 1 . . . . 634 PRO CG . 11036 1 108 . 1 1 11 11 PRO HG3 H 1 1.916 0.04 . 2 . . . . 634 PRO HG2 . 11036 1 109 . 1 1 11 11 PRO HG2 H 1 2.114 0.04 . 2 . . . . 634 PRO HG1 . 11036 1 110 . 1 1 11 11 PRO CD C 13 49.774 0.4 . 1 . . . . 634 PRO CD . 11036 1 111 . 1 1 11 11 PRO HD2 H 1 3.756 0.04 . 2 . . . . 634 PRO HD1 . 11036 1 112 . 1 1 12 12 GLY N N 15 106.958 0.4 . 1 . . . . 635 GLY N . 11036 1 113 . 1 1 12 12 GLY H H 1 8.475 0.04 . 1 . . . . 635 GLY HN . 11036 1 114 . 1 1 12 12 GLY CA C 13 45.303 0.4 . 1 . . . . 635 GLY CA . 11036 1 115 . 1 1 12 12 GLY HA3 H 1 3.812 0.04 . 2 . . . . 635 GLY HA2 . 11036 1 116 . 1 1 12 12 GLY HA2 H 1 4.438 0.04 . 2 . . . . 635 GLY HA1 . 11036 1 117 . 1 1 13 13 ASP N N 15 124.001 0.4 . 1 . . . . 636 ASP N . 11036 1 118 . 1 1 13 13 ASP H H 1 8.729 0.04 . 1 . . . . 636 ASP HN . 11036 1 119 . 1 1 13 13 ASP CA C 13 54.239 0.4 . 1 . . . . 636 ASP CA . 11036 1 120 . 1 1 13 13 ASP HA H 1 4.656 0.04 . 1 . . . . 636 ASP HA . 11036 1 121 . 1 1 13 13 ASP CB C 13 39.425 0.4 . 1 . . . . 636 ASP CB . 11036 1 122 . 1 1 13 13 ASP HB3 H 1 2.668 0.04 . 2 . . . . 636 ASP HB2 . 11036 1 123 . 1 1 13 13 ASP HB2 H 1 2.742 0.04 . 2 . . . . 636 ASP HB1 . 11036 1 124 . 1 1 14 14 LEU N N 15 121.435 0.4 . 1 . . . . 637 LEU N . 11036 1 125 . 1 1 14 14 LEU H H 1 7.849 0.04 . 1 . . . . 637 LEU HN . 11036 1 126 . 1 1 14 14 LEU CA C 13 53.306 0.4 . 1 . . . . 637 LEU CA . 11036 1 127 . 1 1 14 14 LEU HA H 1 4.546 0.04 . 1 . . . . 637 LEU HA . 11036 1 128 . 1 1 14 14 LEU CB C 13 44.117 0.4 . 1 . . . . 637 LEU CB . 11036 1 129 . 1 1 14 14 LEU HB3 H 1 0.925 0.04 . 2 . . . . 637 LEU HB2 . 11036 1 130 . 1 1 14 14 LEU HB2 H 1 1.532 0.04 . 2 . . . . 637 LEU HB1 . 11036 1 131 . 1 1 14 14 LEU CG C 13 25.801 0.4 . 1 . . . . 637 LEU CG . 11036 1 132 . 1 1 14 14 LEU HG H 1 1.309 0.04 . 1 . . . . 637 LEU HG . 11036 1 133 . 1 1 14 14 LEU CD1 C 13 26.005 0.4 . 1 . . . . 637 LEU CD1 . 11036 1 134 . 1 1 14 14 LEU HD11 H 1 0.407 0.04 . 2 . . . . 637 LEU HD11 . 11036 1 135 . 1 1 14 14 LEU HD12 H 1 0.407 0.04 . 2 . . . . 637 LEU HD11 . 11036 1 136 . 1 1 14 14 LEU HD13 H 1 0.407 0.04 . 2 . . . . 637 LEU HD11 . 11036 1 137 . 1 1 14 14 LEU CD2 C 13 21.756 0.4 . 1 . . . . 637 LEU CD2 . 11036 1 138 . 1 1 14 14 LEU HD21 H 1 -0.179 0.04 . 2 . . . . 637 LEU HD21 . 11036 1 139 . 1 1 14 14 LEU HD22 H 1 -0.179 0.04 . 2 . . . . 637 LEU HD21 . 11036 1 140 . 1 1 14 14 LEU HD23 H 1 -0.179 0.04 . 2 . . . . 637 LEU HD21 . 11036 1 141 . 1 1 15 15 VAL N N 15 118.100 0.4 . 1 . . . . 638 VAL N . 11036 1 142 . 1 1 15 15 VAL H H 1 8.703 0.04 . 1 . . . . 638 VAL HN . 11036 1 143 . 1 1 15 15 VAL CA C 13 59.865 0.4 . 1 . . . . 638 VAL CA . 11036 1 144 . 1 1 15 15 VAL HA H 1 4.383 0.04 . 1 . . . . 638 VAL HA . 11036 1 145 . 1 1 15 15 VAL CB C 13 33.305 0.4 . 1 . . . . 638 VAL CB . 11036 1 146 . 1 1 15 15 VAL HB H 1 1.618 0.04 . 1 . . . . 638 VAL HB . 11036 1 147 . 1 1 15 15 VAL CG2 C 13 19.913 0.4 . 1 . . . . 638 VAL CG2 . 11036 1 148 . 1 1 15 15 VAL HG21 H 1 0.432 0.04 . 2 . . . . 638 VAL HG21 . 11036 1 149 . 1 1 15 15 VAL HG22 H 1 0.432 0.04 . 2 . . . . 638 VAL HG21 . 11036 1 150 . 1 1 15 15 VAL HG23 H 1 0.432 0.04 . 2 . . . . 638 VAL HG21 . 11036 1 151 . 1 1 15 15 VAL CG1 C 13 21.761 0.4 . 1 . . . . 638 VAL CG1 . 11036 1 152 . 1 1 15 15 VAL HG11 H 1 0.453 0.04 . 2 . . . . 638 VAL HG11 . 11036 1 153 . 1 1 15 15 VAL HG12 H 1 0.453 0.04 . 2 . . . . 638 VAL HG11 . 11036 1 154 . 1 1 15 15 VAL HG13 H 1 0.453 0.04 . 2 . . . . 638 VAL HG11 . 11036 1 155 . 1 1 16 16 MET N N 15 125.271 0.4 . 1 . . . . 639 MET N . 11036 1 156 . 1 1 16 16 MET H H 1 8.519 0.04 . 1 . . . . 639 MET HN . 11036 1 157 . 1 1 16 16 MET CA C 13 54.122 0.4 . 1 . . . . 639 MET CA . 11036 1 158 . 1 1 16 16 MET HA H 1 5.210 0.04 . 1 . . . . 639 MET HA . 11036 1 159 . 1 1 16 16 MET CB C 13 36.310 0.4 . 1 . . . . 639 MET CB . 11036 1 160 . 1 1 16 16 MET HB3 H 1 1.915 0.04 . 2 . . . . 639 MET HB2 . 11036 1 161 . 1 1 16 16 MET HB2 H 1 2.061 0.04 . 2 . . . . 639 MET HB1 . 11036 1 162 . 1 1 16 16 MET CG C 13 30.950 0.4 . 1 . . . . 639 MET CG . 11036 1 163 . 1 1 16 16 MET HG3 H 1 2.372 0.04 . 2 . . . . 639 MET HG2 . 11036 1 164 . 1 1 16 16 MET HG2 H 1 2.374 0.04 . 2 . . . . 639 MET HG1 . 11036 1 165 . 1 1 16 16 MET CE C 13 16.896 0.4 . 1 . . . . 639 MET CE . 11036 1 166 . 1 1 16 16 MET HE1 H 1 2.069 0.04 . 1 . . . . 639 MET HE1 . 11036 1 167 . 1 1 16 16 MET HE2 H 1 2.069 0.04 . 1 . . . . 639 MET HE1 . 11036 1 168 . 1 1 16 16 MET HE3 H 1 2.069 0.04 . 1 . . . . 639 MET HE1 . 11036 1 169 . 1 1 17 17 CYS N N 15 129.455 0.4 . 1 . . . . 640 CYS N . 11036 1 170 . 1 1 17 17 CYS H H 1 9.139 0.04 . 1 . . . . 640 CYS HN . 11036 1 171 . 1 1 17 17 CYS CA C 13 59.996 0.4 . 1 . . . . 640 CYS CA . 11036 1 172 . 1 1 17 17 CYS HA H 1 4.658 0.04 . 1 . . . . 640 CYS HA . 11036 1 173 . 1 1 17 17 CYS CB C 13 31.238 0.4 . 1 . . . . 640 CYS CB . 11036 1 174 . 1 1 17 17 CYS HB3 H 1 2.894 0.04 . 2 . . . . 640 CYS HB2 . 11036 1 175 . 1 1 17 17 CYS HB2 H 1 3.726 0.04 . 2 . . . . 640 CYS HB1 . 11036 1 176 . 1 1 18 18 ASN N N 15 128.271 0.4 . 1 . . . . 641 ASN N . 11036 1 177 . 1 1 18 18 ASN H H 1 8.914 0.04 . 1 . . . . 641 ASN HN . 11036 1 178 . 1 1 18 18 ASN CA C 13 55.658 0.4 . 1 . . . . 641 ASN CA . 11036 1 179 . 1 1 18 18 ASN HA H 1 4.584 0.04 . 1 . . . . 641 ASN HA . 11036 1 180 . 1 1 18 18 ASN CB C 13 38.955 0.4 . 1 . . . . 641 ASN CB . 11036 1 181 . 1 1 18 18 ASN HB3 H 1 2.849 0.04 . 2 . . . . 641 ASN HB2 . 11036 1 182 . 1 1 18 18 ASN HB2 H 1 3.050 0.04 . 2 . . . . 641 ASN HB1 . 11036 1 183 . 1 1 18 18 ASN ND2 N 15 112.216 0.4 . 1 . . . . 641 ASN ND2 . 11036 1 184 . 1 1 18 18 ASN HD21 H 1 7.812 0.04 . 2 . . . . 641 ASN HD21 . 11036 1 185 . 1 1 18 18 ASN HD22 H 1 6.844 0.04 . 2 . . . . 641 ASN HD22 . 11036 1 186 . 1 1 19 19 GLN N N 15 121.426 0.4 . 1 . . . . 642 GLN N . 11036 1 187 . 1 1 19 19 GLN H H 1 9.313 0.04 . 1 . . . . 642 GLN HN . 11036 1 188 . 1 1 19 19 GLN CA C 13 57.971 0.4 . 1 . . . . 642 GLN CA . 11036 1 189 . 1 1 19 19 GLN HA H 1 4.502 0.04 . 1 . . . . 642 GLN HA . 11036 1 190 . 1 1 19 19 GLN CB C 13 30.466 0.4 . 1 . . . . 642 GLN CB . 11036 1 191 . 1 1 19 19 GLN HB2 H 1 2.365 0.04 . 2 . . . . 642 GLN HB1 . 11036 1 192 . 1 1 19 19 GLN CG C 13 34.207 0.4 . 1 . . . . 642 GLN CG . 11036 1 193 . 1 1 19 19 GLN HG2 H 1 2.350 0.04 . 2 . . . . 642 GLN HG1 . 11036 1 194 . 1 1 19 19 GLN NE2 N 15 112.202 0.4 . 1 . . . . 642 GLN NE2 . 11036 1 195 . 1 1 19 19 GLN HE21 H 1 7.424 0.04 . 2 . . . . 642 GLN HE21 . 11036 1 196 . 1 1 19 19 GLN HE22 H 1 6.741 0.04 . 2 . . . . 642 GLN HE22 . 11036 1 197 . 1 1 20 20 CYS N N 15 120.207 0.4 . 1 . . . . 643 CYS N . 11036 1 198 . 1 1 20 20 CYS H H 1 8.542 0.04 . 1 . . . . 643 CYS HN . 11036 1 199 . 1 1 20 20 CYS CA C 13 59.473 0.4 . 1 . . . . 643 CYS CA . 11036 1 200 . 1 1 20 20 CYS HA H 1 4.663 0.04 . 1 . . . . 643 CYS HA . 11036 1 201 . 1 1 20 20 CYS CB C 13 31.889 0.4 . 1 . . . . 643 CYS CB . 11036 1 202 . 1 1 20 20 CYS HB3 H 1 2.653 0.04 . 2 . . . . 643 CYS HB2 . 11036 1 203 . 1 1 20 20 CYS HB2 H 1 2.911 0.04 . 2 . . . . 643 CYS HB1 . 11036 1 204 . 1 1 21 21 GLU N N 15 114.113 0.4 . 1 . . . . 644 GLU N . 11036 1 205 . 1 1 21 21 GLU H H 1 7.441 0.04 . 1 . . . . 644 GLU HN . 11036 1 206 . 1 1 21 21 GLU CA C 13 57.994 0.4 . 1 . . . . 644 GLU CA . 11036 1 207 . 1 1 21 21 GLU HA H 1 4.285 0.04 . 1 . . . . 644 GLU HA . 11036 1 208 . 1 1 21 21 GLU CB C 13 26.843 0.4 . 1 . . . . 644 GLU CB . 11036 1 209 . 1 1 21 21 GLU HB3 H 1 2.296 0.04 . 2 . . . . 644 GLU HB2 . 11036 1 210 . 1 1 21 21 GLU HB2 H 1 2.356 0.04 . 2 . . . . 644 GLU HB1 . 11036 1 211 . 1 1 21 21 GLU CG C 13 37.061 0.4 . 1 . . . . 644 GLU CG . 11036 1 212 . 1 1 21 21 GLU HG3 H 1 2.079 0.04 . 2 . . . . 644 GLU HG2 . 11036 1 213 . 1 1 21 21 GLU HG2 H 1 2.184 0.04 . 2 . . . . 644 GLU HG1 . 11036 1 214 . 1 1 22 22 PHE N N 15 120.911 0.4 . 1 . . . . 645 PHE N . 11036 1 215 . 1 1 22 22 PHE H H 1 8.941 0.04 . 1 . . . . 645 PHE HN . 11036 1 216 . 1 1 22 22 PHE CA C 13 57.356 0.4 . 1 . . . . 645 PHE CA . 11036 1 217 . 1 1 22 22 PHE HA H 1 4.777 0.04 . 1 . . . . 645 PHE HA . 11036 1 218 . 1 1 22 22 PHE CB C 13 38.709 0.4 . 1 . . . . 645 PHE CB . 11036 1 219 . 1 1 22 22 PHE HB3 H 1 2.739 0.04 . 2 . . . . 645 PHE HB2 . 11036 1 220 . 1 1 22 22 PHE HB2 H 1 3.746 0.04 . 2 . . . . 645 PHE HB1 . 11036 1 221 . 1 1 22 22 PHE CD1 C 13 130.342 0.4 . 3 . . . . 645 PHE CD1 . 11036 1 222 . 1 1 22 22 PHE HD1 H 1 7.482 0.04 . 3 . . . . 645 PHE HD1 . 11036 1 223 . 1 1 22 22 PHE HE1 H 1 7.407 0.04 . 3 . . . . 645 PHE HE1 . 11036 1 224 . 1 1 22 22 PHE CZ C 13 129.382 0.4 . 1 . . . . 645 PHE CZ . 11036 1 225 . 1 1 22 22 PHE HZ H 1 7.843 0.04 . 1 . . . . 645 PHE HZ . 11036 1 226 . 1 1 23 23 CYS N N 15 115.830 0.4 . 1 . . . . 646 CYS N . 11036 1 227 . 1 1 23 23 CYS H H 1 8.137 0.04 . 1 . . . . 646 CYS HN . 11036 1 228 . 1 1 23 23 CYS CA C 13 56.600 0.4 . 1 . . . . 646 CYS CA . 11036 1 229 . 1 1 23 23 CYS HA H 1 5.813 0.04 . 1 . . . . 646 CYS HA . 11036 1 230 . 1 1 23 23 CYS CB C 13 30.951 0.4 . 1 . . . . 646 CYS CB . 11036 1 231 . 1 1 23 23 CYS HB3 H 1 2.369 0.04 . 2 . . . . 646 CYS HB2 . 11036 1 232 . 1 1 23 23 CYS HB2 H 1 2.749 0.04 . 2 . . . . 646 CYS HB1 . 11036 1 233 . 1 1 24 24 PHE N N 15 116.053 0.4 . 1 . . . . 647 PHE N . 11036 1 234 . 1 1 24 24 PHE H H 1 9.011 0.04 . 1 . . . . 647 PHE HN . 11036 1 235 . 1 1 24 24 PHE CA C 13 56.827 0.4 . 1 . . . . 647 PHE CA . 11036 1 236 . 1 1 24 24 PHE HA H 1 5.910 0.04 . 1 . . . . 647 PHE HA . 11036 1 237 . 1 1 24 24 PHE CB C 13 44.608 0.4 . 1 . . . . 647 PHE CB . 11036 1 238 . 1 1 24 24 PHE HB3 H 1 2.561 0.04 . 2 . . . . 647 PHE HB2 . 11036 1 239 . 1 1 24 24 PHE HB2 H 1 3.462 0.04 . 2 . . . . 647 PHE HB1 . 11036 1 240 . 1 1 24 24 PHE CD1 C 13 131.512 0.4 . 3 . . . . 647 PHE CD1 . 11036 1 241 . 1 1 24 24 PHE HD1 H 1 7.356 0.04 . 3 . . . . 647 PHE HD1 . 11036 1 242 . 1 1 24 24 PHE CE1 C 13 131.456 0.4 . 3 . . . . 647 PHE CE1 . 11036 1 243 . 1 1 24 24 PHE HE1 H 1 7.472 0.04 . 3 . . . . 647 PHE HE1 . 11036 1 244 . 1 1 24 24 PHE CZ C 13 129.263 0.4 . 1 . . . . 647 PHE CZ . 11036 1 245 . 1 1 24 24 PHE HZ H 1 7.854 0.04 . 1 . . . . 647 PHE HZ . 11036 1 246 . 1 1 25 25 HIS N N 15 120.957 0.4 . 1 . . . . 648 HIS N . 11036 1 247 . 1 1 25 25 HIS H H 1 8.427 0.04 . 1 . . . . 648 HIS HN . 11036 1 248 . 1 1 25 25 HIS CA C 13 58.971 0.4 . 1 . . . . 648 HIS CA . 11036 1 249 . 1 1 25 25 HIS HA H 1 4.929 0.04 . 1 . . . . 648 HIS HA . 11036 1 250 . 1 1 25 25 HIS CB C 13 31.178 0.4 . 1 . . . . 648 HIS CB . 11036 1 251 . 1 1 25 25 HIS HB3 H 1 3.670 0.04 . 2 . . . . 648 HIS HB2 . 11036 1 252 . 1 1 25 25 HIS HB2 H 1 3.696 0.04 . 2 . . . . 648 HIS HB1 . 11036 1 253 . 1 1 25 25 HIS CD2 C 13 118.267 0.4 . 1 . . . . 648 HIS CD2 . 11036 1 254 . 1 1 25 25 HIS HD2 H 1 7.384 0.04 . 1 . . . . 648 HIS HD2 . 11036 1 255 . 1 1 25 25 HIS CE1 C 13 138.592 0.4 . 1 . . . . 648 HIS CE1 . 11036 1 256 . 1 1 25 25 HIS HE1 H 1 7.480 0.04 . 1 . . . . 648 HIS HE1 . 11036 1 257 . 1 1 26 26 LEU N N 15 123.176 0.4 . 1 . . . . 649 LEU N . 11036 1 258 . 1 1 26 26 LEU H H 1 9.369 0.04 . 1 . . . . 649 LEU HN . 11036 1 259 . 1 1 26 26 LEU CA C 13 59.646 0.4 . 1 . . . . 649 LEU CA . 11036 1 260 . 1 1 26 26 LEU HA H 1 3.829 0.04 . 1 . . . . 649 LEU HA . 11036 1 261 . 1 1 26 26 LEU CB C 13 39.426 0.4 . 1 . . . . 649 LEU CB . 11036 1 262 . 1 1 26 26 LEU HB3 H 1 1.695 0.04 . 2 . . . . 649 LEU HB2 . 11036 1 263 . 1 1 26 26 LEU HB2 H 1 1.890 0.04 . 2 . . . . 649 LEU HB1 . 11036 1 264 . 1 1 26 26 LEU CG C 13 27.446 0.4 . 1 . . . . 649 LEU CG . 11036 1 265 . 1 1 26 26 LEU HG H 1 1.886 0.04 . 1 . . . . 649 LEU HG . 11036 1 266 . 1 1 26 26 LEU CD1 C 13 25.057 0.4 . 1 . . . . 649 LEU CD1 . 11036 1 267 . 1 1 26 26 LEU HD11 H 1 0.754 0.04 . 2 . . . . 649 LEU HD11 . 11036 1 268 . 1 1 26 26 LEU HD12 H 1 0.754 0.04 . 2 . . . . 649 LEU HD11 . 11036 1 269 . 1 1 26 26 LEU HD13 H 1 0.754 0.04 . 2 . . . . 649 LEU HD11 . 11036 1 270 . 1 1 26 26 LEU CD2 C 13 23.399 0.4 . 1 . . . . 649 LEU CD2 . 11036 1 271 . 1 1 26 26 LEU HD21 H 1 0.572 0.04 . 2 . . . . 649 LEU HD21 . 11036 1 272 . 1 1 26 26 LEU HD22 H 1 0.572 0.04 . 2 . . . . 649 LEU HD21 . 11036 1 273 . 1 1 26 26 LEU HD23 H 1 0.572 0.04 . 2 . . . . 649 LEU HD21 . 11036 1 274 . 1 1 27 27 ASP N N 15 109.058 0.4 . 1 . . . . 650 ASP N . 11036 1 275 . 1 1 27 27 ASP H H 1 8.326 0.04 . 1 . . . . 650 ASP HN . 11036 1 276 . 1 1 27 27 ASP CA C 13 53.998 0.4 . 1 . . . . 650 ASP CA . 11036 1 277 . 1 1 27 27 ASP HA H 1 4.739 0.04 . 1 . . . . 650 ASP HA . 11036 1 278 . 1 1 27 27 ASP CB C 13 40.331 0.4 . 1 . . . . 650 ASP CB . 11036 1 279 . 1 1 27 27 ASP HB2 H 1 2.722 0.04 . 2 . . . . 650 ASP HB1 . 11036 1 280 . 1 1 28 28 CYS N N 15 117.495 0.4 . 1 . . . . 651 CYS N . 11036 1 281 . 1 1 28 28 CYS H H 1 7.480 0.04 . 1 . . . . 651 CYS HN . 11036 1 282 . 1 1 28 28 CYS CA C 13 61.534 0.4 . 1 . . . . 651 CYS CA . 11036 1 283 . 1 1 28 28 CYS HA H 1 4.245 0.04 . 1 . . . . 651 CYS HA . 11036 1 284 . 1 1 28 28 CYS CB C 13 31.646 0.4 . 1 . . . . 651 CYS CB . 11036 1 285 . 1 1 28 28 CYS HB2 H 1 3.029 0.04 . 2 . . . . 651 CYS HB1 . 11036 1 286 . 1 1 29 29 HIS N N 15 116.384 0.4 . 1 . . . . 652 HIS N . 11036 1 287 . 1 1 29 29 HIS H H 1 6.894 0.04 . 1 . . . . 652 HIS HN . 11036 1 288 . 1 1 29 29 HIS CA C 13 59.713 0.4 . 1 . . . . 652 HIS CA . 11036 1 289 . 1 1 29 29 HIS HA H 1 3.644 0.04 . 1 . . . . 652 HIS HA . 11036 1 290 . 1 1 29 29 HIS CB C 13 27.909 0.4 . 1 . . . . 652 HIS CB . 11036 1 291 . 1 1 29 29 HIS HB3 H 1 2.657 0.04 . 2 . . . . 652 HIS HB2 . 11036 1 292 . 1 1 29 29 HIS HB2 H 1 2.749 0.04 . 2 . . . . 652 HIS HB1 . 11036 1 293 . 1 1 29 29 HIS HD2 H 1 7.341 0.04 . 1 . . . . 652 HIS HD2 . 11036 1 294 . 1 1 29 29 HIS CE1 C 13 139.028 0.4 . 1 . . . . 652 HIS CE1 . 11036 1 295 . 1 1 29 29 HIS HE1 H 1 7.869 0.04 . 1 . . . . 652 HIS HE1 . 11036 1 296 . 1 1 30 30 LEU N N 15 121.110 0.4 . 1 . . . . 653 LEU N . 11036 1 297 . 1 1 30 30 LEU H H 1 4.525 0.04 . 1 . . . . 653 LEU HN . 11036 1 298 . 1 1 30 30 LEU CA C 13 51.439 0.4 . 1 . . . . 653 LEU CA . 11036 1 299 . 1 1 30 30 LEU HA H 1 4.515 0.04 . 1 . . . . 653 LEU HA . 11036 1 300 . 1 1 30 30 LEU CB C 13 46.001 0.4 . 1 . . . . 653 LEU CB . 11036 1 301 . 1 1 30 30 LEU HB3 H 1 1.114 0.04 . 2 . . . . 653 LEU HB2 . 11036 1 302 . 1 1 30 30 LEU HB2 H 1 1.433 0.04 . 2 . . . . 653 LEU HB1 . 11036 1 303 . 1 1 30 30 LEU CG C 13 26.484 0.4 . 1 . . . . 653 LEU CG . 11036 1 304 . 1 1 30 30 LEU HG H 1 1.406 0.04 . 1 . . . . 653 LEU HG . 11036 1 305 . 1 1 30 30 LEU CD1 C 13 25.995 0.4 . 1 . . . . 653 LEU CD1 . 11036 1 306 . 1 1 30 30 LEU HD11 H 1 0.893 0.04 . 2 . . . . 653 LEU HD11 . 11036 1 307 . 1 1 30 30 LEU HD12 H 1 0.893 0.04 . 2 . . . . 653 LEU HD11 . 11036 1 308 . 1 1 30 30 LEU HD13 H 1 0.893 0.04 . 2 . . . . 653 LEU HD11 . 11036 1 309 . 1 1 30 30 LEU HD21 H 1 0.891 0.04 . 2 . . . . 653 LEU HD21 . 11036 1 310 . 1 1 30 30 LEU HD22 H 1 0.891 0.04 . 2 . . . . 653 LEU HD21 . 11036 1 311 . 1 1 30 30 LEU HD23 H 1 0.891 0.04 . 2 . . . . 653 LEU HD21 . 11036 1 312 . 1 1 31 31 PRO CA C 13 62.964 0.4 . 1 . . . . 654 PRO CA . 11036 1 313 . 1 1 31 31 PRO HA H 1 4.471 0.04 . 1 . . . . 654 PRO HA . 11036 1 314 . 1 1 31 31 PRO CB C 13 34.045 0.4 . 1 . . . . 654 PRO CB . 11036 1 315 . 1 1 31 31 PRO HB3 H 1 2.107 0.04 . 2 . . . . 654 PRO HB2 . 11036 1 316 . 1 1 31 31 PRO HB2 H 1 2.608 0.04 . 2 . . . . 654 PRO HB1 . 11036 1 317 . 1 1 31 31 PRO CG C 13 25.038 0.4 . 1 . . . . 654 PRO CG . 11036 1 318 . 1 1 31 31 PRO HG2 H 1 2.022 0.04 . 2 . . . . 654 PRO HG1 . 11036 1 319 . 1 1 31 31 PRO CD C 13 49.840 0.4 . 1 . . . . 654 PRO CD . 11036 1 320 . 1 1 31 31 PRO HD3 H 1 3.472 0.04 . 2 . . . . 654 PRO HD2 . 11036 1 321 . 1 1 31 31 PRO HD2 H 1 3.588 0.04 . 2 . . . . 654 PRO HD1 . 11036 1 322 . 1 1 32 32 ALA N N 15 125.871 0.4 . 1 . . . . 655 ALA N . 11036 1 323 . 1 1 32 32 ALA H H 1 8.766 0.04 . 1 . . . . 655 ALA HN . 11036 1 324 . 1 1 32 32 ALA CA C 13 52.771 0.4 . 1 . . . . 655 ALA CA . 11036 1 325 . 1 1 32 32 ALA HA H 1 4.349 0.04 . 1 . . . . 655 ALA HA . 11036 1 326 . 1 1 32 32 ALA CB C 13 18.177 0.4 . 1 . . . . 655 ALA CB . 11036 1 327 . 1 1 32 32 ALA HB1 H 1 1.382 0.04 . 1 . . . . 655 ALA HB1 . 11036 1 328 . 1 1 32 32 ALA HB2 H 1 1.382 0.04 . 1 . . . . 655 ALA HB1 . 11036 1 329 . 1 1 32 32 ALA HB3 H 1 1.382 0.04 . 1 . . . . 655 ALA HB1 . 11036 1 330 . 1 1 33 33 LEU N N 15 123.348 0.4 . 1 . . . . 656 LEU N . 11036 1 331 . 1 1 33 33 LEU H H 1 8.230 0.04 . 1 . . . . 656 LEU HN . 11036 1 332 . 1 1 33 33 LEU CA C 13 54.014 0.4 . 1 . . . . 656 LEU CA . 11036 1 333 . 1 1 33 33 LEU HA H 1 4.445 0.04 . 1 . . . . 656 LEU HA . 11036 1 334 . 1 1 33 33 LEU CB C 13 43.197 0.4 . 1 . . . . 656 LEU CB . 11036 1 335 . 1 1 33 33 LEU HB3 H 1 1.418 0.04 . 2 . . . . 656 LEU HB2 . 11036 1 336 . 1 1 33 33 LEU HB2 H 1 1.659 0.04 . 2 . . . . 656 LEU HB1 . 11036 1 337 . 1 1 33 33 LEU CG C 13 27.430 0.4 . 1 . . . . 656 LEU CG . 11036 1 338 . 1 1 33 33 LEU HG H 1 1.716 0.04 . 1 . . . . 656 LEU HG . 11036 1 339 . 1 1 33 33 LEU CD1 C 13 23.197 0.4 . 1 . . . . 656 LEU CD1 . 11036 1 340 . 1 1 33 33 LEU HD11 H 1 0.735 0.04 . 2 . . . . 656 LEU HD11 . 11036 1 341 . 1 1 33 33 LEU HD12 H 1 0.735 0.04 . 2 . . . . 656 LEU HD11 . 11036 1 342 . 1 1 33 33 LEU HD13 H 1 0.735 0.04 . 2 . . . . 656 LEU HD11 . 11036 1 343 . 1 1 33 33 LEU CD2 C 13 25.294 0.4 . 1 . . . . 656 LEU CD2 . 11036 1 344 . 1 1 33 33 LEU HD21 H 1 0.364 0.04 . 2 . . . . 656 LEU HD21 . 11036 1 345 . 1 1 33 33 LEU HD22 H 1 0.364 0.04 . 2 . . . . 656 LEU HD21 . 11036 1 346 . 1 1 33 33 LEU HD23 H 1 0.364 0.04 . 2 . . . . 656 LEU HD21 . 11036 1 347 . 1 1 34 34 GLN N N 15 119.992 0.4 . 1 . . . . 657 GLN N . 11036 1 348 . 1 1 34 34 GLN H H 1 8.679 0.04 . 1 . . . . 657 GLN HN . 11036 1 349 . 1 1 34 34 GLN CA C 13 56.354 0.4 . 1 . . . . 657 GLN CA . 11036 1 350 . 1 1 34 34 GLN HA H 1 4.159 0.04 . 1 . . . . 657 GLN HA . 11036 1 351 . 1 1 34 34 GLN CB C 13 29.555 0.4 . 1 . . . . 657 GLN CB . 11036 1 352 . 1 1 34 34 GLN HB3 H 1 1.933 0.04 . 2 . . . . 657 GLN HB2 . 11036 1 353 . 1 1 34 34 GLN HB2 H 1 2.129 0.04 . 2 . . . . 657 GLN HB1 . 11036 1 354 . 1 1 34 34 GLN CG C 13 34.193 0.4 . 1 . . . . 657 GLN CG . 11036 1 355 . 1 1 34 34 GLN HG2 H 1 2.345 0.04 . 2 . . . . 657 GLN HG1 . 11036 1 356 . 1 1 34 34 GLN NE2 N 15 111.810 0.4 . 1 . . . . 657 GLN NE2 . 11036 1 357 . 1 1 34 34 GLN HE21 H 1 7.581 0.04 . 2 . . . . 657 GLN HE21 . 11036 1 358 . 1 1 34 34 GLN HE22 H 1 6.809 0.04 . 2 . . . . 657 GLN HE22 . 11036 1 359 . 1 1 35 35 ASP N N 15 115.420 0.4 . 1 . . . . 658 ASP N . 11036 1 360 . 1 1 35 35 ASP H H 1 7.457 0.04 . 1 . . . . 658 ASP HN . 11036 1 361 . 1 1 35 35 ASP CA C 13 51.696 0.4 . 1 . . . . 658 ASP CA . 11036 1 362 . 1 1 35 35 ASP HA H 1 4.626 0.04 . 1 . . . . 658 ASP HA . 11036 1 363 . 1 1 35 35 ASP CB C 13 43.431 0.4 . 1 . . . . 658 ASP CB . 11036 1 364 . 1 1 35 35 ASP HB3 H 1 2.434 0.04 . 2 . . . . 658 ASP HB2 . 11036 1 365 . 1 1 35 35 ASP HB2 H 1 2.516 0.04 . 2 . . . . 658 ASP HB1 . 11036 1 366 . 1 1 36 36 VAL N N 15 122.099 0.4 . 1 . . . . 659 VAL N . 11036 1 367 . 1 1 36 36 VAL H H 1 8.624 0.04 . 1 . . . . 659 VAL HN . 11036 1 368 . 1 1 36 36 VAL CA C 13 60.994 0.4 . 1 . . . . 659 VAL CA . 11036 1 369 . 1 1 36 36 VAL HA H 1 3.752 0.04 . 1 . . . . 659 VAL HA . 11036 1 370 . 1 1 36 36 VAL CB C 13 32.087 0.4 . 1 . . . . 659 VAL CB . 11036 1 371 . 1 1 36 36 VAL HB H 1 1.929 0.04 . 1 . . . . 659 VAL HB . 11036 1 372 . 1 1 36 36 VAL CG2 C 13 21.610 0.4 . 1 . . . . 659 VAL CG2 . 11036 1 373 . 1 1 36 36 VAL HG21 H 1 0.961 0.04 . 2 . . . . 659 VAL HG21 . 11036 1 374 . 1 1 36 36 VAL HG22 H 1 0.961 0.04 . 2 . . . . 659 VAL HG21 . 11036 1 375 . 1 1 36 36 VAL HG23 H 1 0.961 0.04 . 2 . . . . 659 VAL HG21 . 11036 1 376 . 1 1 36 36 VAL CG1 C 13 21.023 0.4 . 1 . . . . 659 VAL CG1 . 11036 1 377 . 1 1 36 36 VAL HG11 H 1 0.949 0.04 . 2 . . . . 659 VAL HG11 . 11036 1 378 . 1 1 36 36 VAL HG12 H 1 0.949 0.04 . 2 . . . . 659 VAL HG11 . 11036 1 379 . 1 1 36 36 VAL HG13 H 1 0.949 0.04 . 2 . . . . 659 VAL HG11 . 11036 1 380 . 1 1 37 37 PRO CA C 13 62.728 0.4 . 1 . . . . 660 PRO CA . 11036 1 381 . 1 1 37 37 PRO HA H 1 4.454 0.04 . 1 . . . . 660 PRO HA . 11036 1 382 . 1 1 37 37 PRO CB C 13 32.835 0.4 . 1 . . . . 660 PRO CB . 11036 1 383 . 1 1 37 37 PRO HB3 H 1 1.960 0.04 . 2 . . . . 660 PRO HB2 . 11036 1 384 . 1 1 37 37 PRO HB2 H 1 1.956 0.04 . 2 . . . . 660 PRO HB1 . 11036 1 385 . 1 1 37 37 PRO CG C 13 26.251 0.4 . 1 . . . . 660 PRO CG . 11036 1 386 . 1 1 37 37 PRO HG3 H 1 0.753 0.04 . 2 . . . . 660 PRO HG2 . 11036 1 387 . 1 1 37 37 PRO HG2 H 1 1.168 0.04 . 2 . . . . 660 PRO HG1 . 11036 1 388 . 1 1 37 37 PRO CD C 13 50.508 0.4 . 1 . . . . 660 PRO CD . 11036 1 389 . 1 1 37 37 PRO HD3 H 1 3.282 0.04 . 2 . . . . 660 PRO HD2 . 11036 1 390 . 1 1 37 37 PRO HD2 H 1 3.510 0.04 . 2 . . . . 660 PRO HD1 . 11036 1 391 . 1 1 38 38 GLY N N 15 106.940 0.4 . 1 . . . . 661 GLY N . 11036 1 392 . 1 1 38 38 GLY H H 1 8.189 0.04 . 1 . . . . 661 GLY HN . 11036 1 393 . 1 1 38 38 GLY CA C 13 44.397 0.4 . 1 . . . . 661 GLY CA . 11036 1 394 . 1 1 38 38 GLY HA3 H 1 3.969 0.04 . 2 . . . . 661 GLY HA2 . 11036 1 395 . 1 1 38 38 GLY HA2 H 1 4.190 0.04 . 2 . . . . 661 GLY HA1 . 11036 1 396 . 1 1 39 39 GLU N N 15 117.365 0.4 . 1 . . . . 662 GLU N . 11036 1 397 . 1 1 39 39 GLU H H 1 8.281 0.04 . 1 . . . . 662 GLU HN . 11036 1 398 . 1 1 39 39 GLU CA C 13 57.520 0.4 . 1 . . . . 662 GLU CA . 11036 1 399 . 1 1 39 39 GLU HA H 1 4.281 0.04 . 1 . . . . 662 GLU HA . 11036 1 400 . 1 1 39 39 GLU CB C 13 30.013 0.4 . 1 . . . . 662 GLU CB . 11036 1 401 . 1 1 39 39 GLU HB3 H 1 2.082 0.04 . 2 . . . . 662 GLU HB2 . 11036 1 402 . 1 1 39 39 GLU HB2 H 1 2.171 0.04 . 2 . . . . 662 GLU HB1 . 11036 1 403 . 1 1 39 39 GLU CG C 13 36.160 0.4 . 1 . . . . 662 GLU CG . 11036 1 404 . 1 1 39 39 GLU HG2 H 1 2.361 0.04 . 2 . . . . 662 GLU HG1 . 11036 1 405 . 1 1 40 40 GLU N N 15 117.986 0.4 . 1 . . . . 663 GLU N . 11036 1 406 . 1 1 40 40 GLU H H 1 8.697 0.04 . 1 . . . . 663 GLU HN . 11036 1 407 . 1 1 40 40 GLU CA C 13 56.389 0.4 . 1 . . . . 663 GLU CA . 11036 1 408 . 1 1 40 40 GLU HA H 1 4.293 0.04 . 1 . . . . 663 GLU HA . 11036 1 409 . 1 1 40 40 GLU CB C 13 28.787 0.4 . 1 . . . . 663 GLU CB . 11036 1 410 . 1 1 40 40 GLU HB3 H 1 2.035 0.04 . 2 . . . . 663 GLU HB2 . 11036 1 411 . 1 1 40 40 GLU HB2 H 1 2.139 0.04 . 2 . . . . 663 GLU HB1 . 11036 1 412 . 1 1 40 40 GLU CG C 13 36.130 0.4 . 1 . . . . 663 GLU CG . 11036 1 413 . 1 1 40 40 GLU HG2 H 1 2.211 0.04 . 2 . . . . 663 GLU HG1 . 11036 1 414 . 1 1 41 41 TRP N N 15 124.391 0.4 . 1 . . . . 664 TRP N . 11036 1 415 . 1 1 41 41 TRP H H 1 7.967 0.04 . 1 . . . . 664 TRP HN . 11036 1 416 . 1 1 41 41 TRP CA C 13 59.934 0.4 . 1 . . . . 664 TRP CA . 11036 1 417 . 1 1 41 41 TRP HA H 1 4.312 0.04 . 1 . . . . 664 TRP HA . 11036 1 418 . 1 1 41 41 TRP CB C 13 29.998 0.4 . 1 . . . . 664 TRP CB . 11036 1 419 . 1 1 41 41 TRP HB2 H 1 3.201 0.04 . 2 . . . . 664 TRP HB1 . 11036 1 420 . 1 1 41 41 TRP CD1 C 13 125.786 0.4 . 1 . . . . 664 TRP CD1 . 11036 1 421 . 1 1 41 41 TRP HD1 H 1 7.225 0.04 . 1 . . . . 664 TRP HD1 . 11036 1 422 . 1 1 41 41 TRP NE1 N 15 129.603 0.4 . 1 . . . . 664 TRP NE1 . 11036 1 423 . 1 1 41 41 TRP HE1 H 1 9.655 0.04 . 1 . . . . 664 TRP HE1 . 11036 1 424 . 1 1 41 41 TRP CZ2 C 13 112.960 0.4 . 1 . . . . 664 TRP CZ2 . 11036 1 425 . 1 1 41 41 TRP HZ2 H 1 5.473 0.04 . 1 . . . . 664 TRP HZ2 . 11036 1 426 . 1 1 41 41 TRP CH2 C 13 122.789 0.4 . 1 . . . . 664 TRP CH2 . 11036 1 427 . 1 1 41 41 TRP HH2 H 1 6.282 0.04 . 1 . . . . 664 TRP HH2 . 11036 1 428 . 1 1 41 41 TRP CZ3 C 13 119.397 0.4 . 1 . . . . 664 TRP CZ3 . 11036 1 429 . 1 1 41 41 TRP HZ3 H 1 6.727 0.04 . 1 . . . . 664 TRP HZ3 . 11036 1 430 . 1 1 41 41 TRP CE3 C 13 120.317 0.4 . 1 . . . . 664 TRP CE3 . 11036 1 431 . 1 1 41 41 TRP HE3 H 1 7.383 0.04 . 1 . . . . 664 TRP HE3 . 11036 1 432 . 1 1 42 42 SER N N 15 120.355 0.4 . 1 . . . . 665 SER N . 11036 1 433 . 1 1 42 42 SER H H 1 6.873 0.04 . 1 . . . . 665 SER HN . 11036 1 434 . 1 1 42 42 SER CA C 13 55.166 0.4 . 1 . . . . 665 SER CA . 11036 1 435 . 1 1 42 42 SER HA H 1 5.259 0.04 . 1 . . . . 665 SER HA . 11036 1 436 . 1 1 42 42 SER CB C 13 65.990 0.4 . 1 . . . . 665 SER CB . 11036 1 437 . 1 1 42 42 SER HB3 H 1 3.311 0.04 . 2 . . . . 665 SER HB2 . 11036 1 438 . 1 1 42 42 SER HB2 H 1 3.566 0.04 . 2 . . . . 665 SER HB1 . 11036 1 439 . 1 1 43 43 CYS N N 15 125.642 0.4 . 1 . . . . 666 CYS N . 11036 1 440 . 1 1 43 43 CYS H H 1 9.271 0.04 . 1 . . . . 666 CYS HN . 11036 1 441 . 1 1 43 43 CYS CA C 13 57.325 0.4 . 1 . . . . 666 CYS CA . 11036 1 442 . 1 1 43 43 CYS HA H 1 3.952 0.04 . 1 . . . . 666 CYS HA . 11036 1 443 . 1 1 43 43 CYS CB C 13 34.022 0.4 . 1 . . . . 666 CYS CB . 11036 1 444 . 1 1 43 43 CYS HB3 H 1 2.531 0.04 . 2 . . . . 666 CYS HB2 . 11036 1 445 . 1 1 43 43 CYS HB2 H 1 3.404 0.04 . 2 . . . . 666 CYS HB1 . 11036 1 446 . 1 1 44 44 SER N N 15 117.158 0.4 . 1 . . . . 667 SER N . 11036 1 447 . 1 1 44 44 SER H H 1 7.068 0.04 . 1 . . . . 667 SER HN . 11036 1 448 . 1 1 44 44 SER CA C 13 61.353 0.4 . 1 . . . . 667 SER CA . 11036 1 449 . 1 1 44 44 SER HA H 1 4.225 0.04 . 1 . . . . 667 SER HA . 11036 1 450 . 1 1 44 44 SER CB C 13 63.693 0.4 . 1 . . . . 667 SER CB . 11036 1 451 . 1 1 44 44 SER HB3 H 1 3.831 0.04 . 2 . . . . 667 SER HB2 . 11036 1 452 . 1 1 44 44 SER HB2 H 1 3.916 0.04 . 2 . . . . 667 SER HB1 . 11036 1 453 . 1 1 45 45 LEU N N 15 120.667 0.4 . 1 . . . . 668 LEU N . 11036 1 454 . 1 1 45 45 LEU H H 1 8.965 0.04 . 1 . . . . 668 LEU HN . 11036 1 455 . 1 1 45 45 LEU CA C 13 57.416 0.4 . 1 . . . . 668 LEU CA . 11036 1 456 . 1 1 45 45 LEU HA H 1 4.178 0.04 . 1 . . . . 668 LEU HA . 11036 1 457 . 1 1 45 45 LEU CB C 13 40.611 0.4 . 1 . . . . 668 LEU CB . 11036 1 458 . 1 1 45 45 LEU HB3 H 1 1.529 0.04 . 2 . . . . 668 LEU HB2 . 11036 1 459 . 1 1 45 45 LEU HB2 H 1 2.284 0.04 . 2 . . . . 668 LEU HB1 . 11036 1 460 . 1 1 45 45 LEU CG C 13 26.975 0.4 . 1 . . . . 668 LEU CG . 11036 1 461 . 1 1 45 45 LEU HG H 1 1.906 0.04 . 1 . . . . 668 LEU HG . 11036 1 462 . 1 1 45 45 LEU CD1 C 13 25.839 0.4 . 1 . . . . 668 LEU CD1 . 11036 1 463 . 1 1 45 45 LEU HD11 H 1 1.246 0.04 . 2 . . . . 668 LEU HD11 . 11036 1 464 . 1 1 45 45 LEU HD12 H 1 1.246 0.04 . 2 . . . . 668 LEU HD11 . 11036 1 465 . 1 1 45 45 LEU HD13 H 1 1.246 0.04 . 2 . . . . 668 LEU HD11 . 11036 1 466 . 1 1 45 45 LEU CD2 C 13 22.469 0.4 . 1 . . . . 668 LEU CD2 . 11036 1 467 . 1 1 45 45 LEU HD21 H 1 0.964 0.04 . 2 . . . . 668 LEU HD21 . 11036 1 468 . 1 1 45 45 LEU HD22 H 1 0.964 0.04 . 2 . . . . 668 LEU HD21 . 11036 1 469 . 1 1 45 45 LEU HD23 H 1 0.964 0.04 . 2 . . . . 668 LEU HD21 . 11036 1 470 . 1 1 46 46 CYS N N 15 121.872 0.4 . 1 . . . . 669 CYS N . 11036 1 471 . 1 1 46 46 CYS H H 1 7.816 0.04 . 1 . . . . 669 CYS HN . 11036 1 472 . 1 1 46 46 CYS CA C 13 62.557 0.4 . 1 . . . . 669 CYS CA . 11036 1 473 . 1 1 46 46 CYS HA H 1 3.969 0.04 . 1 . . . . 669 CYS HA . 11036 1 474 . 1 1 46 46 CYS CB C 13 30.467 0.4 . 1 . . . . 669 CYS CB . 11036 1 475 . 1 1 46 46 CYS HB3 H 1 2.699 0.04 . 2 . . . . 669 CYS HB2 . 11036 1 476 . 1 1 46 46 CYS HB2 H 1 2.789 0.04 . 2 . . . . 669 CYS HB1 . 11036 1 477 . 1 1 47 47 HIS N N 15 119.396 0.4 . 1 . . . . 670 HIS N . 11036 1 478 . 1 1 47 47 HIS H H 1 8.077 0.04 . 1 . . . . 670 HIS HN . 11036 1 479 . 1 1 47 47 HIS CA C 13 55.625 0.4 . 1 . . . . 670 HIS CA . 11036 1 480 . 1 1 47 47 HIS HA H 1 4.429 0.04 . 1 . . . . 670 HIS HA . 11036 1 481 . 1 1 47 47 HIS CB C 13 30.326 0.4 . 1 . . . . 670 HIS CB . 11036 1 482 . 1 1 47 47 HIS HB3 H 1 2.794 0.04 . 2 . . . . 670 HIS HB2 . 11036 1 483 . 1 1 47 47 HIS HB2 H 1 2.929 0.04 . 2 . . . . 670 HIS HB1 . 11036 1 484 . 1 1 47 47 HIS CD2 C 13 119.157 0.4 . 1 . . . . 670 HIS CD2 . 11036 1 485 . 1 1 47 47 HIS HD2 H 1 6.896 0.04 . 1 . . . . 670 HIS HD2 . 11036 1 486 . 1 1 47 47 HIS CE1 C 13 138.340 0.4 . 1 . . . . 670 HIS CE1 . 11036 1 487 . 1 1 47 47 HIS HE1 H 1 7.450 0.04 . 1 . . . . 670 HIS HE1 . 11036 1 488 . 1 1 48 48 VAL N N 15 123.528 0.4 . 1 . . . . 671 VAL N . 11036 1 489 . 1 1 48 48 VAL H H 1 7.978 0.04 . 1 . . . . 671 VAL HN . 11036 1 490 . 1 1 48 48 VAL CA C 13 62.120 0.4 . 1 . . . . 671 VAL CA . 11036 1 491 . 1 1 48 48 VAL HA H 1 3.925 0.04 . 1 . . . . 671 VAL HA . 11036 1 492 . 1 1 48 48 VAL CB C 13 32.396 0.4 . 1 . . . . 671 VAL CB . 11036 1 493 . 1 1 48 48 VAL HB H 1 1.908 0.04 . 1 . . . . 671 VAL HB . 11036 1 494 . 1 1 48 48 VAL CG2 C 13 20.144 0.4 . 1 . . . . 671 VAL CG2 . 11036 1 495 . 1 1 48 48 VAL HG21 H 1 0.812 0.04 . 2 . . . . 671 VAL HG21 . 11036 1 496 . 1 1 48 48 VAL HG22 H 1 0.812 0.04 . 2 . . . . 671 VAL HG21 . 11036 1 497 . 1 1 48 48 VAL HG23 H 1 0.812 0.04 . 2 . . . . 671 VAL HG21 . 11036 1 498 . 1 1 48 48 VAL CG1 C 13 20.756 0.4 . 1 . . . . 671 VAL CG1 . 11036 1 499 . 1 1 48 48 VAL HG11 H 1 0.797 0.04 . 2 . . . . 671 VAL HG11 . 11036 1 500 . 1 1 48 48 VAL HG12 H 1 0.797 0.04 . 2 . . . . 671 VAL HG11 . 11036 1 501 . 1 1 48 48 VAL HG13 H 1 0.797 0.04 . 2 . . . . 671 VAL HG11 . 11036 1 502 . 1 1 49 49 LEU N N 15 126.622 0.4 . 1 . . . . 672 LEU N . 11036 1 503 . 1 1 49 49 LEU H H 1 8.139 0.04 . 1 . . . . 672 LEU HN . 11036 1 504 . 1 1 49 49 LEU CA C 13 52.859 0.4 . 1 . . . . 672 LEU CA . 11036 1 505 . 1 1 49 49 LEU HA H 1 4.475 0.04 . 1 . . . . 672 LEU HA . 11036 1 506 . 1 1 49 49 LEU CB C 13 41.536 0.4 . 1 . . . . 672 LEU CB . 11036 1 507 . 1 1 49 49 LEU HB2 H 1 1.531 0.04 . 2 . . . . 672 LEU HB1 . 11036 1 508 . 1 1 49 49 LEU CG C 13 27.049 0.4 . 1 . . . . 672 LEU CG . 11036 1 509 . 1 1 49 49 LEU HG H 1 1.589 0.04 . 1 . . . . 672 LEU HG . 11036 1 510 . 1 1 49 49 LEU CD1 C 13 25.118 0.4 . 1 . . . . 672 LEU CD1 . 11036 1 511 . 1 1 49 49 LEU HD11 H 1 0.898 0.04 . 2 . . . . 672 LEU HD11 . 11036 1 512 . 1 1 49 49 LEU HD12 H 1 0.898 0.04 . 2 . . . . 672 LEU HD11 . 11036 1 513 . 1 1 49 49 LEU HD13 H 1 0.898 0.04 . 2 . . . . 672 LEU HD11 . 11036 1 514 . 1 1 49 49 LEU CD2 C 13 23.561 0.4 . 1 . . . . 672 LEU CD2 . 11036 1 515 . 1 1 49 49 LEU HD21 H 1 0.881 0.04 . 2 . . . . 672 LEU HD21 . 11036 1 516 . 1 1 49 49 LEU HD22 H 1 0.881 0.04 . 2 . . . . 672 LEU HD21 . 11036 1 517 . 1 1 49 49 LEU HD23 H 1 0.881 0.04 . 2 . . . . 672 LEU HD21 . 11036 1 518 . 1 1 50 50 PRO CA C 13 62.715 0.4 . 1 . . . . 673 PRO CA . 11036 1 519 . 1 1 50 50 PRO HA H 1 4.386 0.04 . 1 . . . . 673 PRO HA . 11036 1 520 . 1 1 50 50 PRO CB C 13 32.093 0.4 . 1 . . . . 673 PRO CB . 11036 1 521 . 1 1 50 50 PRO HB3 H 1 1.871 0.04 . 2 . . . . 673 PRO HB2 . 11036 1 522 . 1 1 50 50 PRO HB2 H 1 2.245 0.04 . 2 . . . . 673 PRO HB1 . 11036 1 523 . 1 1 50 50 PRO CG C 13 27.231 0.4 . 1 . . . . 673 PRO CG . 11036 1 524 . 1 1 50 50 PRO HG2 H 1 2.003 0.04 . 2 . . . . 673 PRO HG1 . 11036 1 525 . 1 1 50 50 PRO CD C 13 50.453 0.4 . 1 . . . . 673 PRO CD . 11036 1 526 . 1 1 50 50 PRO HD3 H 1 3.609 0.04 . 2 . . . . 673 PRO HD2 . 11036 1 527 . 1 1 50 50 PRO HD2 H 1 3.810 0.04 . 2 . . . . 673 PRO HD1 . 11036 1 528 . 1 1 51 51 ASP N N 15 120.540 0.4 . 1 . . . . 674 ASP N . 11036 1 529 . 1 1 51 51 ASP H H 1 8.307 0.04 . 1 . . . . 674 ASP HN . 11036 1 530 . 1 1 51 51 ASP CA C 13 54.202 0.4 . 1 . . . . 674 ASP CA . 11036 1 531 . 1 1 51 51 ASP HA H 1 4.564 0.04 . 1 . . . . 674 ASP HA . 11036 1 532 . 1 1 51 51 ASP CB C 13 41.030 0.4 . 1 . . . . 674 ASP CB . 11036 1 533 . 1 1 51 51 ASP HB3 H 1 2.554 0.04 . 2 . . . . 674 ASP HB2 . 11036 1 534 . 1 1 51 51 ASP HB2 H 1 2.667 0.04 . 2 . . . . 674 ASP HB1 . 11036 1 535 . 1 1 52 52 LEU N N 15 122.987 0.4 . 1 . . . . 675 LEU N . 11036 1 536 . 1 1 52 52 LEU H H 1 8.053 0.04 . 1 . . . . 675 LEU HN . 11036 1 537 . 1 1 52 52 LEU CA C 13 54.945 0.4 . 1 . . . . 675 LEU CA . 11036 1 538 . 1 1 52 52 LEU HA H 1 4.364 0.04 . 1 . . . . 675 LEU HA . 11036 1 539 . 1 1 52 52 LEU CB C 13 42.436 0.4 . 1 . . . . 675 LEU CB . 11036 1 540 . 1 1 52 52 LEU HB2 H 1 1.607 0.04 . 2 . . . . 675 LEU HB1 . 11036 1 541 . 1 1 52 52 LEU CG C 13 26.997 0.4 . 1 . . . . 675 LEU CG . 11036 1 542 . 1 1 52 52 LEU HG H 1 1.636 0.04 . 1 . . . . 675 LEU HG . 11036 1 543 . 1 1 52 52 LEU CD1 C 13 25.119 0.4 . 1 . . . . 675 LEU CD1 . 11036 1 544 . 1 1 52 52 LEU HD11 H 1 0.926 0.04 . 2 . . . . 675 LEU HD11 . 11036 1 545 . 1 1 52 52 LEU HD12 H 1 0.926 0.04 . 2 . . . . 675 LEU HD11 . 11036 1 546 . 1 1 52 52 LEU HD13 H 1 0.926 0.04 . 2 . . . . 675 LEU HD11 . 11036 1 547 . 1 1 52 52 LEU CD2 C 13 23.536 0.4 . 1 . . . . 675 LEU CD2 . 11036 1 548 . 1 1 52 52 LEU HD21 H 1 0.885 0.04 . 2 . . . . 675 LEU HD21 . 11036 1 549 . 1 1 52 52 LEU HD22 H 1 0.885 0.04 . 2 . . . . 675 LEU HD21 . 11036 1 550 . 1 1 52 52 LEU HD23 H 1 0.885 0.04 . 2 . . . . 675 LEU HD21 . 11036 1 551 . 1 1 53 53 LYS N N 15 122.061 0.4 . 1 . . . . 676 LYS N . 11036 1 552 . 1 1 53 53 LYS H H 1 8.340 0.04 . 1 . . . . 676 LYS HN . 11036 1 553 . 1 1 53 53 LYS CA C 13 56.060 0.4 . 1 . . . . 676 LYS CA . 11036 1 554 . 1 1 53 53 LYS HA H 1 4.331 0.04 . 1 . . . . 676 LYS HA . 11036 1 555 . 1 1 53 53 LYS CB C 13 32.363 0.4 . 1 . . . . 676 LYS CB . 11036 1 556 . 1 1 53 53 LYS HB3 H 1 1.421 0.04 . 2 . . . . 676 LYS HB2 . 11036 1 557 . 1 1 53 53 LYS HB2 H 1 1.820 0.04 . 2 . . . . 676 LYS HB1 . 11036 1 558 . 1 1 53 53 LYS CG C 13 24.185 0.4 . 1 . . . . 676 LYS CG . 11036 1 559 . 1 1 53 53 LYS HG2 H 1 1.601 0.04 . 2 . . . . 676 LYS HG1 . 11036 1 560 . 1 1 53 53 LYS CD C 13 28.500 0.4 . 1 . . . . 676 LYS CD . 11036 1 561 . 1 1 53 53 LYS HD2 H 1 1.432 0.04 . 2 . . . . 676 LYS HD1 . 11036 1 562 . 1 1 53 53 LYS CE C 13 41.892 0.4 . 1 . . . . 676 LYS CE . 11036 1 563 . 1 1 53 53 LYS HE2 H 1 2.691 0.04 . 2 . . . . 676 LYS HE1 . 11036 1 564 . 1 1 54 54 GLU N N 15 121.909 0.4 . 1 . . . . 677 GLU N . 11036 1 565 . 1 1 54 54 GLU H H 1 8.403 0.04 . 1 . . . . 677 GLU HN . 11036 1 566 . 1 1 54 54 GLU CA C 13 56.586 0.4 . 1 . . . . 677 GLU CA . 11036 1 567 . 1 1 54 54 GLU HA H 1 4.312 0.04 . 1 . . . . 677 GLU HA . 11036 1 568 . 1 1 54 54 GLU CB C 13 30.221 0.4 . 1 . . . . 677 GLU CB . 11036 1 569 . 1 1 54 54 GLU HB3 H 1 1.980 0.04 . 2 . . . . 677 GLU HB2 . 11036 1 570 . 1 1 54 54 GLU HB2 H 1 2.099 0.04 . 2 . . . . 677 GLU HB1 . 11036 1 571 . 1 1 54 54 GLU CG C 13 36.227 0.4 . 1 . . . . 677 GLU CG . 11036 1 572 . 1 1 54 54 GLU HG2 H 1 2.297 0.04 . 2 . . . . 677 GLU HG1 . 11036 1 573 . 1 1 55 55 GLU N N 15 121.528 0.4 . 1 . . . . 678 GLU N . 11036 1 574 . 1 1 55 55 GLU H H 1 8.486 0.04 . 1 . . . . 678 GLU HN . 11036 1 575 . 1 1 55 55 GLU CA C 13 56.368 0.4 . 1 . . . . 678 GLU CA . 11036 1 576 . 1 1 55 55 GLU HA H 1 4.315 0.04 . 1 . . . . 678 GLU HA . 11036 1 577 . 1 1 55 55 GLU CB C 13 28.896 0.4 . 1 . . . . 678 GLU CB . 11036 1 578 . 1 1 55 55 GLU HB3 H 1 1.972 0.04 . 2 . . . . 678 GLU HB2 . 11036 1 579 . 1 1 55 55 GLU HB2 H 1 2.091 0.04 . 2 . . . . 678 GLU HB1 . 11036 1 580 . 1 1 55 55 GLU CG C 13 35.963 0.4 . 1 . . . . 678 GLU CG . 11036 1 581 . 1 1 55 55 GLU HG2 H 1 2.276 0.04 . 2 . . . . 678 GLU HG1 . 11036 1 582 . 1 1 56 56 ASP N N 15 121.530 0.4 . 1 . . . . 679 ASP N . 11036 1 583 . 1 1 56 56 ASP H H 1 8.322 0.04 . 1 . . . . 679 ASP HN . 11036 1 584 . 1 1 56 56 ASP CA C 13 54.252 0.4 . 1 . . . . 679 ASP CA . 11036 1 585 . 1 1 56 56 ASP HA H 1 4.680 0.04 . 1 . . . . 679 ASP HA . 11036 1 586 . 1 1 56 56 ASP CB C 13 41.146 0.4 . 1 . . . . 679 ASP CB . 11036 1 587 . 1 1 56 56 ASP HB2 H 1 2.743 0.04 . 2 . . . . 679 ASP HB1 . 11036 1 588 . 1 1 57 57 GLY N N 15 109.997 0.4 . 1 . . . . 680 GLY N . 11036 1 589 . 1 1 57 57 GLY H H 1 8.412 0.04 . 1 . . . . 680 GLY HN . 11036 1 590 . 1 1 57 57 GLY CA C 13 45.247 0.4 . 1 . . . . 680 GLY CA . 11036 1 591 . 1 1 57 57 GLY HA2 H 1 4.020 0.04 . 2 . . . . 680 GLY HA1 . 11036 1 592 . 1 1 58 58 SER N N 15 115.994 0.4 . 1 . . . . 681 SER N . 11036 1 593 . 1 1 58 58 SER H H 1 8.280 0.04 . 1 . . . . 681 SER HN . 11036 1 594 . 1 1 58 58 SER CA C 13 58.239 0.4 . 1 . . . . 681 SER CA . 11036 1 595 . 1 1 58 58 SER HA H 1 3.996 0.04 . 1 . . . . 681 SER HA . 11036 1 596 . 1 1 58 58 SER CB C 13 63.789 0.4 . 1 . . . . 681 SER CB . 11036 1 597 . 1 1 58 58 SER HB2 H 1 4.531 0.04 . 2 . . . . 681 SER HB1 . 11036 1 598 . 1 1 59 59 LEU N N 15 123.362 0.4 . 1 . . . . 682 LEU N . 11036 1 599 . 1 1 59 59 LEU H H 1 8.164 0.04 . 1 . . . . 682 LEU HN . 11036 1 600 . 1 1 59 59 LEU CA C 13 55.160 0.4 . 1 . . . . 682 LEU CA . 11036 1 601 . 1 1 59 59 LEU HA H 1 4.427 0.04 . 1 . . . . 682 LEU HA . 11036 1 602 . 1 1 59 59 LEU CB C 13 42.473 0.4 . 1 . . . . 682 LEU CB . 11036 1 603 . 1 1 59 59 LEU HB2 H 1 1.666 0.04 . 2 . . . . 682 LEU HB1 . 11036 1 604 . 1 1 59 59 LEU CG C 13 26.716 0.4 . 1 . . . . 682 LEU CG . 11036 1 605 . 1 1 59 59 LEU HG H 1 1.656 0.04 . 1 . . . . 682 LEU HG . 11036 1 606 . 1 1 59 59 LEU CD1 C 13 25.060 0.4 . 1 . . . . 682 LEU CD1 . 11036 1 607 . 1 1 59 59 LEU HD11 H 1 0.926 0.04 . 2 . . . . 682 LEU HD11 . 11036 1 608 . 1 1 59 59 LEU HD12 H 1 0.926 0.04 . 2 . . . . 682 LEU HD11 . 11036 1 609 . 1 1 59 59 LEU HD13 H 1 0.926 0.04 . 2 . . . . 682 LEU HD11 . 11036 1 610 . 1 1 59 59 LEU CD2 C 13 23.484 0.4 . 1 . . . . 682 LEU CD2 . 11036 1 611 . 1 1 59 59 LEU HD21 H 1 0.898 0.04 . 2 . . . . 682 LEU HD21 . 11036 1 612 . 1 1 59 59 LEU HD22 H 1 0.898 0.04 . 2 . . . . 682 LEU HD21 . 11036 1 613 . 1 1 59 59 LEU HD23 H 1 0.898 0.04 . 2 . . . . 682 LEU HD21 . 11036 1 614 . 1 1 60 60 SER N N 15 116.385 0.4 . 1 . . . . 683 SER N . 11036 1 615 . 1 1 60 60 SER H H 1 8.226 0.04 . 1 . . . . 683 SER HN . 11036 1 616 . 1 1 60 60 SER CA C 13 58.004 0.4 . 1 . . . . 683 SER CA . 11036 1 617 . 1 1 60 60 SER HA H 1 4.517 0.04 . 1 . . . . 683 SER HA . 11036 1 618 . 1 1 60 60 SER CB C 13 63.651 0.4 . 1 . . . . 683 SER CB . 11036 1 619 . 1 1 60 60 SER HB2 H 1 3.951 0.04 . 2 . . . . 683 SER HB1 . 11036 1 620 . 1 1 61 61 LEU N N 15 124.466 0.4 . 1 . . . . 684 LEU N . 11036 1 621 . 1 1 61 61 LEU H H 1 8.303 0.04 . 1 . . . . 684 LEU HN . 11036 1 622 . 1 1 61 61 LEU CA C 13 54.959 0.4 . 1 . . . . 684 LEU CA . 11036 1 623 . 1 1 61 61 LEU HA H 1 4.412 0.04 . 1 . . . . 684 LEU HA . 11036 1 624 . 1 1 61 61 LEU CB C 13 41.713 0.4 . 1 . . . . 684 LEU CB . 11036 1 625 . 1 1 61 61 LEU HB2 H 1 1.659 0.04 . 2 . . . . 684 LEU HB1 . 11036 1 626 . 1 1 61 61 LEU CG C 13 26.609 0.4 . 1 . . . . 684 LEU CG . 11036 1 627 . 1 1 61 61 LEU CD1 C 13 24.495 0.4 . 2 . . . . 684 LEU CD1 . 11036 1 628 . 1 1 61 61 LEU HD11 H 1 0.960 0.04 . 2 . . . . 684 LEU HD11 . 11036 1 629 . 1 1 61 61 LEU HD12 H 1 0.960 0.04 . 2 . . . . 684 LEU HD11 . 11036 1 630 . 1 1 61 61 LEU HD13 H 1 0.960 0.04 . 2 . . . . 684 LEU HD11 . 11036 1 631 . 1 1 61 61 LEU CD2 C 13 22.885 0.4 . 2 . . . . 684 LEU CD2 . 11036 1 632 . 1 1 61 61 LEU HD21 H 1 0.910 0.04 . 2 . . . . 684 LEU HD21 . 11036 1 633 . 1 1 61 61 LEU HD22 H 1 0.910 0.04 . 2 . . . . 684 LEU HD21 . 11036 1 634 . 1 1 61 61 LEU HD23 H 1 0.910 0.04 . 2 . . . . 684 LEU HD21 . 11036 1 635 . 1 1 62 62 ASP N N 15 120.536 0.4 . 1 . . . . 685 ASP N . 11036 1 636 . 1 1 62 62 ASP H H 1 8.267 0.04 . 1 . . . . 685 ASP HN . 11036 1 637 . 1 1 62 62 ASP CA C 13 54.276 0.4 . 1 . . . . 685 ASP CA . 11036 1 638 . 1 1 62 62 ASP HA H 1 4.680 0.04 . 1 . . . . 685 ASP HA . 11036 1 639 . 1 1 62 62 ASP CB C 13 41.125 0.4 . 1 . . . . 685 ASP CB . 11036 1 640 . 1 1 62 62 ASP HB3 H 1 2.653 0.04 . 2 . . . . 685 ASP HB2 . 11036 1 641 . 1 1 62 62 ASP HB2 H 1 2.685 0.04 . 2 . . . . 685 ASP HB1 . 11036 1 642 . 1 1 63 63 GLY N N 15 109.373 0.4 . 1 . . . . 686 GLY N . 11036 1 643 . 1 1 63 63 GLY H H 1 8.277 0.04 . 1 . . . . 686 GLY HN . 11036 1 644 . 1 1 63 63 GLY CA C 13 45.297 0.4 . 1 . . . . 686 GLY CA . 11036 1 645 . 1 1 63 63 GLY HA2 H 1 3.992 0.04 . 2 . . . . 686 GLY HA1 . 11036 1 646 . 1 1 64 64 ALA N N 15 123.584 0.4 . 1 . . . . 687 ALA N . 11036 1 647 . 1 1 64 64 ALA H H 1 8.129 0.04 . 1 . . . . 687 ALA HN . 11036 1 648 . 1 1 64 64 ALA CA C 13 52.637 0.4 . 1 . . . . 687 ALA CA . 11036 1 649 . 1 1 64 64 ALA HA H 1 4.379 0.04 . 1 . . . . 687 ALA HA . 11036 1 650 . 1 1 64 64 ALA CB C 13 19.122 0.4 . 1 . . . . 687 ALA CB . 11036 1 651 . 1 1 64 64 ALA HB1 H 1 1.425 0.04 . 1 . . . . 687 ALA HB1 . 11036 1 652 . 1 1 64 64 ALA HB2 H 1 1.425 0.04 . 1 . . . . 687 ALA HB1 . 11036 1 653 . 1 1 64 64 ALA HB3 H 1 1.425 0.04 . 1 . . . . 687 ALA HB1 . 11036 1 654 . 1 1 65 65 ASP N N 15 118.924 0.4 . 1 . . . . 688 ASP N . 11036 1 655 . 1 1 65 65 ASP H H 1 8.326 0.04 . 1 . . . . 688 ASP HN . 11036 1 656 . 1 1 65 65 ASP CA C 13 53.972 0.4 . 1 . . . . 688 ASP CA . 11036 1 657 . 1 1 65 65 ASP HA H 1 4.682 0.04 . 1 . . . . 688 ASP HA . 11036 1 658 . 1 1 65 65 ASP CB C 13 41.061 0.4 . 1 . . . . 688 ASP CB . 11036 1 659 . 1 1 65 65 ASP HB2 H 1 2.762 0.04 . 2 . . . . 688 ASP HB1 . 11036 1 660 . 1 1 66 66 SER N N 15 116.036 0.4 . 1 . . . . 689 SER N . 11036 1 661 . 1 1 66 66 SER H H 1 8.285 0.04 . 1 . . . . 689 SER HN . 11036 1 662 . 1 1 66 66 SER CA C 13 58.352 0.4 . 1 . . . . 689 SER CA . 11036 1 663 . 1 1 66 66 SER HA H 1 4.443 0.04 . 1 . . . . 689 SER HA . 11036 1 664 . 1 1 66 66 SER CB C 13 63.665 0.4 . 1 . . . . 689 SER CB . 11036 1 665 . 1 1 66 66 SER HB2 H 1 3.936 0.04 . 2 . . . . 689 SER HB1 . 11036 1 666 . 1 1 67 67 THR N N 15 115.059 0.4 . 1 . . . . 690 THR N . 11036 1 667 . 1 1 67 67 THR H H 1 8.253 0.04 . 1 . . . . 690 THR HN . 11036 1 668 . 1 1 67 67 THR CA C 13 62.556 0.4 . 1 . . . . 690 THR CA . 11036 1 669 . 1 1 67 67 THR HA H 1 4.379 0.04 . 1 . . . . 690 THR HA . 11036 1 670 . 1 1 67 67 THR CB C 13 69.623 0.4 . 1 . . . . 690 THR CB . 11036 1 671 . 1 1 67 67 THR HB H 1 4.319 0.04 . 1 . . . . 690 THR HB . 11036 1 672 . 1 1 67 67 THR CG2 C 13 21.531 0.4 . 1 . . . . 690 THR CG2 . 11036 1 673 . 1 1 67 67 THR HG21 H 1 1.272 0.04 . 1 . . . . 690 THR HG21 . 11036 1 674 . 1 1 67 67 THR HG22 H 1 1.272 0.04 . 1 . . . . 690 THR HG21 . 11036 1 675 . 1 1 67 67 THR HG23 H 1 1.272 0.04 . 1 . . . . 690 THR HG21 . 11036 1 676 . 1 1 68 68 GLY N N 15 111.091 0.4 . 1 . . . . 691 GLY N . 11036 1 677 . 1 1 68 68 GLY H H 1 8.366 0.04 . 1 . . . . 691 GLY HN . 11036 1 678 . 1 1 68 68 GLY CA C 13 45.297 0.4 . 1 . . . . 691 GLY CA . 11036 1 679 . 1 1 68 68 GLY HA2 H 1 4.002 0.04 . 2 . . . . 691 GLY HA1 . 11036 1 680 . 1 1 69 69 VAL N N 15 119.280 0.4 . 1 . . . . 692 VAL N . 11036 1 681 . 1 1 69 69 VAL H H 1 7.876 0.04 . 1 . . . . 692 VAL HN . 11036 1 682 . 1 1 69 69 VAL CA C 13 62.068 0.4 . 1 . . . . 692 VAL CA . 11036 1 683 . 1 1 69 69 VAL HA H 1 4.176 0.04 . 1 . . . . 692 VAL HA . 11036 1 684 . 1 1 69 69 VAL CB C 13 32.322 0.4 . 1 . . . . 692 VAL CB . 11036 1 685 . 1 1 69 69 VAL HB H 1 2.092 0.04 . 1 . . . . 692 VAL HB . 11036 1 686 . 1 1 69 69 VAL CG1 C 13 20.330 0.4 . 2 . . . . 692 VAL CG1 . 11036 1 687 . 1 1 69 69 VAL HG11 H 1 0.952 0.04 . 2 . . . . 692 VAL HG11 . 11036 1 688 . 1 1 69 69 VAL HG12 H 1 0.952 0.04 . 2 . . . . 692 VAL HG11 . 11036 1 689 . 1 1 69 69 VAL HG13 H 1 0.952 0.04 . 2 . . . . 692 VAL HG11 . 11036 1 690 . 1 1 70 70 VAL N N 15 123.601 0.4 . 1 . . . . 693 VAL N . 11036 1 691 . 1 1 70 70 VAL H H 1 8.102 0.04 . 1 . . . . 693 VAL HN . 11036 1 692 . 1 1 70 70 VAL CA C 13 61.886 0.4 . 1 . . . . 693 VAL CA . 11036 1 693 . 1 1 70 70 VAL HA H 1 4.150 0.04 . 1 . . . . 693 VAL HA . 11036 1 694 . 1 1 70 70 VAL CB C 13 32.429 0.4 . 1 . . . . 693 VAL CB . 11036 1 695 . 1 1 70 70 VAL HB H 1 2.089 0.04 . 1 . . . . 693 VAL HB . 11036 1 696 . 1 1 70 70 VAL CG1 C 13 20.589 0.4 . 2 . . . . 693 VAL CG1 . 11036 1 697 . 1 1 70 70 VAL HG11 H 1 0.953 0.04 . 2 . . . . 693 VAL HG11 . 11036 1 698 . 1 1 70 70 VAL HG12 H 1 0.953 0.04 . 2 . . . . 693 VAL HG11 . 11036 1 699 . 1 1 70 70 VAL HG13 H 1 0.953 0.04 . 2 . . . . 693 VAL HG11 . 11036 1 700 . 1 1 71 71 ALA N N 15 129.048 0.4 . 1 . . . . 694 ALA N . 11036 1 701 . 1 1 71 71 ALA H H 1 8.374 0.04 . 1 . . . . 694 ALA HN . 11036 1 702 . 1 1 71 71 ALA CA C 13 52.125 0.4 . 1 . . . . 694 ALA CA . 11036 1 703 . 1 1 71 71 ALA HA H 1 4.454 0.04 . 1 . . . . 694 ALA HA . 11036 1 704 . 1 1 71 71 ALA CB C 13 19.203 0.4 . 1 . . . . 694 ALA CB . 11036 1 705 . 1 1 71 71 ALA HB1 H 1 1.423 0.04 . 1 . . . . 694 ALA HB1 . 11036 1 706 . 1 1 71 71 ALA HB2 H 1 1.423 0.04 . 1 . . . . 694 ALA HB1 . 11036 1 707 . 1 1 71 71 ALA HB3 H 1 1.423 0.04 . 1 . . . . 694 ALA HB1 . 11036 1 708 . 1 1 72 72 LYS N N 15 118.535 0.4 . 1 . . . . 695 LYS N . 11036 1 709 . 1 1 72 72 LYS H H 1 7.833 0.04 . 1 . . . . 695 LYS HN . 11036 1 710 . 1 1 72 72 LYS CA C 13 54.556 0.4 . 1 . . . . 695 LYS CA . 11036 1 711 . 1 1 72 72 LYS HA H 1 4.827 0.04 . 1 . . . . 695 LYS HA . 11036 1 712 . 1 1 72 72 LYS CB C 13 35.245 0.4 . 1 . . . . 695 LYS CB . 11036 1 713 . 1 1 72 72 LYS HB3 H 1 1.767 0.04 . 2 . . . . 695 LYS HB2 . 11036 1 714 . 1 1 72 72 LYS HB2 H 1 1.903 0.04 . 2 . . . . 695 LYS HB1 . 11036 1 715 . 1 1 72 72 LYS CG C 13 23.901 0.4 . 1 . . . . 695 LYS CG . 11036 1 716 . 1 1 72 72 LYS HG2 H 1 1.431 0.04 . 2 . . . . 695 LYS HG1 . 11036 1 717 . 1 1 72 72 LYS CD C 13 28.831 0.4 . 1 . . . . 695 LYS CD . 11036 1 718 . 1 1 72 72 LYS HD2 H 1 1.709 0.04 . 2 . . . . 695 LYS HD1 . 11036 1 719 . 1 1 72 72 LYS CE C 13 41.956 0.4 . 1 . . . . 695 LYS CE . 11036 1 720 . 1 1 72 72 LYS HE3 H 1 2.985 0.04 . 2 . . . . 695 LYS HE2 . 11036 1 721 . 1 1 72 72 LYS HE2 H 1 3.043 0.04 . 2 . . . . 695 LYS HE1 . 11036 1 722 . 1 1 73 73 LEU N N 15 121.834 0.4 . 1 . . . . 696 LEU N . 11036 1 723 . 1 1 73 73 LEU H H 1 8.772 0.04 . 1 . . . . 696 LEU HN . 11036 1 724 . 1 1 73 73 LEU CA C 13 54.973 0.4 . 1 . . . . 696 LEU CA . 11036 1 725 . 1 1 73 73 LEU HA H 1 4.268 0.04 . 1 . . . . 696 LEU HA . 11036 1 726 . 1 1 73 73 LEU CB C 13 42.467 0.4 . 1 . . . . 696 LEU CB . 11036 1 727 . 1 1 73 73 LEU HB3 H 1 1.273 0.04 . 2 . . . . 696 LEU HB2 . 11036 1 728 . 1 1 73 73 LEU HB2 H 1 1.939 0.04 . 2 . . . . 696 LEU HB1 . 11036 1 729 . 1 1 73 73 LEU CG C 13 26.266 0.4 . 1 . . . . 696 LEU CG . 11036 1 730 . 1 1 73 73 LEU HG H 1 1.793 0.04 . 1 . . . . 696 LEU HG . 11036 1 731 . 1 1 73 73 LEU CD1 C 13 26.534 0.4 . 1 . . . . 696 LEU CD1 . 11036 1 732 . 1 1 73 73 LEU HD11 H 1 0.793 0.04 . 2 . . . . 696 LEU HD11 . 11036 1 733 . 1 1 73 73 LEU HD12 H 1 0.793 0.04 . 2 . . . . 696 LEU HD11 . 11036 1 734 . 1 1 73 73 LEU HD13 H 1 0.793 0.04 . 2 . . . . 696 LEU HD11 . 11036 1 735 . 1 1 73 73 LEU CD2 C 13 23.435 0.4 . 1 . . . . 696 LEU CD2 . 11036 1 736 . 1 1 73 73 LEU HD21 H 1 0.574 0.04 . 2 . . . . 696 LEU HD21 . 11036 1 737 . 1 1 73 73 LEU HD22 H 1 0.574 0.04 . 2 . . . . 696 LEU HD21 . 11036 1 738 . 1 1 73 73 LEU HD23 H 1 0.574 0.04 . 2 . . . . 696 LEU HD21 . 11036 1 739 . 1 1 74 74 SER N N 15 121.120 0.4 . 1 . . . . 697 SER N . 11036 1 740 . 1 1 74 74 SER H H 1 8.890 0.04 . 1 . . . . 697 SER HN . 11036 1 741 . 1 1 74 74 SER CA C 13 56.165 0.4 . 1 . . . . 697 SER CA . 11036 1 742 . 1 1 74 74 SER HA H 1 4.710 0.04 . 1 . . . . 697 SER HA . 11036 1 743 . 1 1 74 74 SER CB C 13 62.177 0.4 . 1 . . . . 697 SER CB . 11036 1 744 . 1 1 74 74 SER HB2 H 1 4.166 0.04 . 2 . . . . 697 SER HB1 . 11036 1 745 . 1 1 75 75 PRO CA C 13 66.251 0.4 . 1 . . . . 698 PRO CA . 11036 1 746 . 1 1 75 75 PRO HA H 1 4.350 0.04 . 1 . . . . 698 PRO HA . 11036 1 747 . 1 1 75 75 PRO CB C 13 31.661 0.4 . 1 . . . . 698 PRO CB . 11036 1 748 . 1 1 75 75 PRO HB3 H 1 2.014 0.04 . 2 . . . . 698 PRO HB2 . 11036 1 749 . 1 1 75 75 PRO HB2 H 1 2.429 0.04 . 2 . . . . 698 PRO HB1 . 11036 1 750 . 1 1 75 75 PRO CG C 13 28.119 0.4 . 1 . . . . 698 PRO CG . 11036 1 751 . 1 1 75 75 PRO HG3 H 1 2.126 0.04 . 2 . . . . 698 PRO HG2 . 11036 1 752 . 1 1 75 75 PRO HG2 H 1 2.282 0.04 . 2 . . . . 698 PRO HG1 . 11036 1 753 . 1 1 75 75 PRO CD C 13 49.768 0.4 . 1 . . . . 698 PRO CD . 11036 1 754 . 1 1 75 75 PRO HD2 H 1 3.978 0.04 . 2 . . . . 698 PRO HD1 . 11036 1 755 . 1 1 76 76 ALA N N 15 117.914 0.4 . 1 . . . . 699 ALA N . 11036 1 756 . 1 1 76 76 ALA H H 1 8.458 0.04 . 1 . . . . 699 ALA HN . 11036 1 757 . 1 1 76 76 ALA CA C 13 55.000 0.4 . 1 . . . . 699 ALA CA . 11036 1 758 . 1 1 76 76 ALA HA H 1 4.132 0.04 . 1 . . . . 699 ALA HA . 11036 1 759 . 1 1 76 76 ALA CB C 13 18.785 0.4 . 1 . . . . 699 ALA CB . 11036 1 760 . 1 1 76 76 ALA HB1 H 1 1.391 0.04 . 1 . . . . 699 ALA HB1 . 11036 1 761 . 1 1 76 76 ALA HB2 H 1 1.391 0.04 . 1 . . . . 699 ALA HB1 . 11036 1 762 . 1 1 76 76 ALA HB3 H 1 1.391 0.04 . 1 . . . . 699 ALA HB1 . 11036 1 763 . 1 1 77 77 ASN N N 15 116.945 0.4 . 1 . . . . 700 ASN N . 11036 1 764 . 1 1 77 77 ASN H H 1 7.760 0.04 . 1 . . . . 700 ASN HN . 11036 1 765 . 1 1 77 77 ASN CA C 13 55.210 0.4 . 1 . . . . 700 ASN CA . 11036 1 766 . 1 1 77 77 ASN HA H 1 4.763 0.04 . 1 . . . . 700 ASN HA . 11036 1 767 . 1 1 77 77 ASN CB C 13 38.005 0.4 . 1 . . . . 700 ASN CB . 11036 1 768 . 1 1 77 77 ASN HB3 H 1 2.479 0.04 . 2 . . . . 700 ASN HB2 . 11036 1 769 . 1 1 77 77 ASN HB2 H 1 3.092 0.04 . 2 . . . . 700 ASN HB1 . 11036 1 770 . 1 1 78 78 GLN N N 15 124.719 0.4 . 1 . . . . 701 GLN N . 11036 1 771 . 1 1 78 78 GLN H H 1 9.480 0.04 . 1 . . . . 701 GLN HN . 11036 1 772 . 1 1 78 78 GLN CA C 13 59.634 0.4 . 1 . . . . 701 GLN CA . 11036 1 773 . 1 1 78 78 GLN HA H 1 3.673 0.04 . 1 . . . . 701 GLN HA . 11036 1 774 . 1 1 78 78 GLN CB C 13 27.114 0.4 . 1 . . . . 701 GLN CB . 11036 1 775 . 1 1 78 78 GLN HB3 H 1 2.103 0.04 . 2 . . . . 701 GLN HB2 . 11036 1 776 . 1 1 78 78 GLN HB2 H 1 2.221 0.04 . 2 . . . . 701 GLN HB1 . 11036 1 777 . 1 1 78 78 GLN CG C 13 31.406 0.4 . 1 . . . . 701 GLN CG . 11036 1 778 . 1 1 78 78 GLN HG2 H 1 2.439 0.04 . 2 . . . . 701 GLN HG1 . 11036 1 779 . 1 1 78 78 GLN NE2 N 15 112.158 0.4 . 1 . . . . 701 GLN NE2 . 11036 1 780 . 1 1 78 78 GLN HE21 H 1 7.964 0.04 . 2 . . . . 701 GLN HE21 . 11036 1 781 . 1 1 78 78 GLN HE22 H 1 6.882 0.04 . 2 . . . . 701 GLN HE22 . 11036 1 782 . 1 1 79 79 ARG N N 15 117.069 0.4 . 1 . . . . 702 ARG N . 11036 1 783 . 1 1 79 79 ARG H H 1 7.654 0.04 . 1 . . . . 702 ARG HN . 11036 1 784 . 1 1 79 79 ARG CA C 13 57.561 0.4 . 1 . . . . 702 ARG CA . 11036 1 785 . 1 1 79 79 ARG HA H 1 4.487 0.04 . 1 . . . . 702 ARG HA . 11036 1 786 . 1 1 79 79 ARG CB C 13 29.680 0.4 . 1 . . . . 702 ARG CB . 11036 1 787 . 1 1 79 79 ARG HB3 H 1 1.899 0.04 . 2 . . . . 702 ARG HB2 . 11036 1 788 . 1 1 79 79 ARG HB2 H 1 1.963 0.04 . 2 . . . . 702 ARG HB1 . 11036 1 789 . 1 1 79 79 ARG CG C 13 27.079 0.4 . 1 . . . . 702 ARG CG . 11036 1 790 . 1 1 79 79 ARG HG2 H 1 1.752 0.04 . 2 . . . . 702 ARG HG1 . 11036 1 791 . 1 1 79 79 ARG CD C 13 42.452 0.4 . 1 . . . . 702 ARG CD . 11036 1 792 . 1 1 79 79 ARG HD3 H 1 3.306 0.04 . 2 . . . . 702 ARG HD2 . 11036 1 793 . 1 1 79 79 ARG HD2 H 1 3.376 0.04 . 2 . . . . 702 ARG HD1 . 11036 1 794 . 1 1 80 80 LYS N N 15 119.251 0.4 . 1 . . . . 703 LYS N . 11036 1 795 . 1 1 80 80 LYS H H 1 7.636 0.04 . 1 . . . . 703 LYS HN . 11036 1 796 . 1 1 80 80 LYS CA C 13 60.735 0.4 . 1 . . . . 703 LYS CA . 11036 1 797 . 1 1 80 80 LYS HA H 1 3.702 0.04 . 1 . . . . 703 LYS HA . 11036 1 798 . 1 1 80 80 LYS CB C 13 34.002 0.4 . 1 . . . . 703 LYS CB . 11036 1 799 . 1 1 80 80 LYS HB2 H 1 1.606 0.04 . 2 . . . . 703 LYS HB1 . 11036 1 800 . 1 1 80 80 LYS CG C 13 26.953 0.4 . 1 . . . . 703 LYS CG . 11036 1 801 . 1 1 80 80 LYS HG3 H 1 1.041 0.04 . 2 . . . . 703 LYS HG2 . 11036 1 802 . 1 1 80 80 LYS HG2 H 1 1.578 0.04 . 2 . . . . 703 LYS HG1 . 11036 1 803 . 1 1 80 80 LYS CD C 13 29.563 0.4 . 1 . . . . 703 LYS CD . 11036 1 804 . 1 1 80 80 LYS HD3 H 1 0.848 0.04 . 2 . . . . 703 LYS HD2 . 11036 1 805 . 1 1 80 80 LYS HD2 H 1 1.308 0.04 . 2 . . . . 703 LYS HD1 . 11036 1 806 . 1 1 80 80 LYS CE C 13 42.310 0.4 . 1 . . . . 703 LYS CE . 11036 1 807 . 1 1 80 80 LYS HE2 H 1 2.797 0.04 . 2 . . . . 703 LYS HE1 . 11036 1 808 . 1 1 81 81 CYS N N 15 115.848 0.4 . 1 . . . . 704 CYS N . 11036 1 809 . 1 1 81 81 CYS H H 1 8.031 0.04 . 1 . . . . 704 CYS HN . 11036 1 810 . 1 1 81 81 CYS CA C 13 64.823 0.4 . 1 . . . . 704 CYS CA . 11036 1 811 . 1 1 81 81 CYS HA H 1 3.687 0.04 . 1 . . . . 704 CYS HA . 11036 1 812 . 1 1 81 81 CYS CB C 13 26.491 0.4 . 1 . . . . 704 CYS CB . 11036 1 813 . 1 1 81 81 CYS HB3 H 1 1.257 0.04 . 2 . . . . 704 CYS HB2 . 11036 1 814 . 1 1 81 81 CYS HB2 H 1 2.675 0.04 . 2 . . . . 704 CYS HB1 . 11036 1 815 . 1 1 82 82 GLU N N 15 118.931 0.4 . 1 . . . . 705 GLU N . 11036 1 816 . 1 1 82 82 GLU H H 1 8.286 0.04 . 1 . . . . 705 GLU HN . 11036 1 817 . 1 1 82 82 GLU CA C 13 59.887 0.4 . 1 . . . . 705 GLU CA . 11036 1 818 . 1 1 82 82 GLU HA H 1 3.589 0.04 . 1 . . . . 705 GLU HA . 11036 1 819 . 1 1 82 82 GLU CB C 13 29.067 0.4 . 1 . . . . 705 GLU CB . 11036 1 820 . 1 1 82 82 GLU HB3 H 1 1.504 0.04 . 2 . . . . 705 GLU HB2 . 11036 1 821 . 1 1 82 82 GLU HB2 H 1 2.465 0.04 . 2 . . . . 705 GLU HB1 . 11036 1 822 . 1 1 82 82 GLU CG C 13 37.761 0.4 . 1 . . . . 705 GLU CG . 11036 1 823 . 1 1 82 82 GLU HG3 H 1 1.931 0.04 . 2 . . . . 705 GLU HG2 . 11036 1 824 . 1 1 82 82 GLU HG2 H 1 2.503 0.04 . 2 . . . . 705 GLU HG1 . 11036 1 825 . 1 1 83 83 ARG N N 15 119.029 0.4 . 1 . . . . 706 ARG N . 11036 1 826 . 1 1 83 83 ARG H H 1 7.931 0.04 . 1 . . . . 706 ARG HN . 11036 1 827 . 1 1 83 83 ARG CA C 13 60.133 0.4 . 1 . . . . 706 ARG CA . 11036 1 828 . 1 1 83 83 ARG HA H 1 3.748 0.04 . 1 . . . . 706 ARG HA . 11036 1 829 . 1 1 83 83 ARG CB C 13 30.197 0.4 . 1 . . . . 706 ARG CB . 11036 1 830 . 1 1 83 83 ARG HB3 H 1 1.936 0.04 . 2 . . . . 706 ARG HB2 . 11036 1 831 . 1 1 83 83 ARG HB2 H 1 1.956 0.04 . 2 . . . . 706 ARG HB1 . 11036 1 832 . 1 1 83 83 ARG CG C 13 28.140 0.4 . 1 . . . . 706 ARG CG . 11036 1 833 . 1 1 83 83 ARG HG3 H 1 1.605 0.04 . 2 . . . . 706 ARG HG2 . 11036 1 834 . 1 1 83 83 ARG HG2 H 1 1.746 0.04 . 2 . . . . 706 ARG HG1 . 11036 1 835 . 1 1 83 83 ARG CD C 13 44.592 0.4 . 1 . . . . 706 ARG CD . 11036 1 836 . 1 1 83 83 ARG HD3 H 1 3.091 0.04 . 2 . . . . 706 ARG HD2 . 11036 1 837 . 1 1 83 83 ARG HD2 H 1 3.216 0.04 . 2 . . . . 706 ARG HD1 . 11036 1 838 . 1 1 84 84 VAL N N 15 119.247 0.4 . 1 . . . . 707 VAL N . 11036 1 839 . 1 1 84 84 VAL H H 1 7.762 0.04 . 1 . . . . 707 VAL HN . 11036 1 840 . 1 1 84 84 VAL CA C 13 67.133 0.4 . 1 . . . . 707 VAL CA . 11036 1 841 . 1 1 84 84 VAL HA H 1 3.562 0.04 . 1 . . . . 707 VAL HA . 11036 1 842 . 1 1 84 84 VAL CB C 13 31.857 0.4 . 1 . . . . 707 VAL CB . 11036 1 843 . 1 1 84 84 VAL HB H 1 2.360 0.04 . 1 . . . . 707 VAL HB . 11036 1 844 . 1 1 84 84 VAL CG2 C 13 23.183 0.4 . 1 . . . . 707 VAL CG2 . 11036 1 845 . 1 1 84 84 VAL HG21 H 1 1.146 0.04 . 2 . . . . 707 VAL HG21 . 11036 1 846 . 1 1 84 84 VAL HG22 H 1 1.146 0.04 . 2 . . . . 707 VAL HG21 . 11036 1 847 . 1 1 84 84 VAL HG23 H 1 1.146 0.04 . 2 . . . . 707 VAL HG21 . 11036 1 848 . 1 1 84 84 VAL CG1 C 13 22.229 0.4 . 1 . . . . 707 VAL CG1 . 11036 1 849 . 1 1 84 84 VAL HG11 H 1 1.202 0.04 . 2 . . . . 707 VAL HG11 . 11036 1 850 . 1 1 84 84 VAL HG12 H 1 1.202 0.04 . 2 . . . . 707 VAL HG11 . 11036 1 851 . 1 1 84 84 VAL HG13 H 1 1.202 0.04 . 2 . . . . 707 VAL HG11 . 11036 1 852 . 1 1 85 85 LEU N N 15 119.414 0.4 . 1 . . . . 708 LEU N . 11036 1 853 . 1 1 85 85 LEU H H 1 8.844 0.04 . 1 . . . . 708 LEU HN . 11036 1 854 . 1 1 85 85 LEU CA C 13 57.561 0.4 . 1 . . . . 708 LEU CA . 11036 1 855 . 1 1 85 85 LEU HA H 1 4.366 0.04 . 1 . . . . 708 LEU HA . 11036 1 856 . 1 1 85 85 LEU CB C 13 41.320 0.4 . 1 . . . . 708 LEU CB . 11036 1 857 . 1 1 85 85 LEU HB3 H 1 1.701 0.04 . 2 . . . . 708 LEU HB2 . 11036 1 858 . 1 1 85 85 LEU HB2 H 1 2.145 0.04 . 2 . . . . 708 LEU HB1 . 11036 1 859 . 1 1 85 85 LEU CG C 13 26.925 0.4 . 1 . . . . 708 LEU CG . 11036 1 860 . 1 1 85 85 LEU HG H 1 1.966 0.04 . 1 . . . . 708 LEU HG . 11036 1 861 . 1 1 85 85 LEU CD1 C 13 27.433 0.4 . 1 . . . . 708 LEU CD1 . 11036 1 862 . 1 1 85 85 LEU HD11 H 1 1.197 0.04 . 2 . . . . 708 LEU HD11 . 11036 1 863 . 1 1 85 85 LEU HD12 H 1 1.197 0.04 . 2 . . . . 708 LEU HD11 . 11036 1 864 . 1 1 85 85 LEU HD13 H 1 1.197 0.04 . 2 . . . . 708 LEU HD11 . 11036 1 865 . 1 1 85 85 LEU CD2 C 13 24.167 0.4 . 1 . . . . 708 LEU CD2 . 11036 1 866 . 1 1 85 85 LEU HD21 H 1 1.135 0.04 . 2 . . . . 708 LEU HD21 . 11036 1 867 . 1 1 85 85 LEU HD22 H 1 1.135 0.04 . 2 . . . . 708 LEU HD21 . 11036 1 868 . 1 1 85 85 LEU HD23 H 1 1.135 0.04 . 2 . . . . 708 LEU HD21 . 11036 1 869 . 1 1 86 86 LEU N N 15 120.156 0.4 . 1 . . . . 709 LEU N . 11036 1 870 . 1 1 86 86 LEU H H 1 9.044 0.04 . 1 . . . . 709 LEU HN . 11036 1 871 . 1 1 86 86 LEU CA C 13 57.977 0.4 . 1 . . . . 709 LEU CA . 11036 1 872 . 1 1 86 86 LEU HA H 1 4.382 0.04 . 1 . . . . 709 LEU HA . 11036 1 873 . 1 1 86 86 LEU CB C 13 41.069 0.4 . 1 . . . . 709 LEU CB . 11036 1 874 . 1 1 86 86 LEU HB3 H 1 1.671 0.04 . 2 . . . . 709 LEU HB2 . 11036 1 875 . 1 1 86 86 LEU HB2 H 1 2.159 0.04 . 2 . . . . 709 LEU HB1 . 11036 1 876 . 1 1 86 86 LEU CG C 13 26.912 0.4 . 1 . . . . 709 LEU CG . 11036 1 877 . 1 1 86 86 LEU HG H 1 1.875 0.04 . 1 . . . . 709 LEU HG . 11036 1 878 . 1 1 86 86 LEU CD1 C 13 27.637 0.4 . 1 . . . . 709 LEU CD1 . 11036 1 879 . 1 1 86 86 LEU HD11 H 1 0.883 0.04 . 2 . . . . 709 LEU HD11 . 11036 1 880 . 1 1 86 86 LEU HD12 H 1 0.883 0.04 . 2 . . . . 709 LEU HD11 . 11036 1 881 . 1 1 86 86 LEU HD13 H 1 0.883 0.04 . 2 . . . . 709 LEU HD11 . 11036 1 882 . 1 1 86 86 LEU CD2 C 13 23.181 0.4 . 1 . . . . 709 LEU CD2 . 11036 1 883 . 1 1 86 86 LEU HD21 H 1 1.028 0.04 . 2 . . . . 709 LEU HD21 . 11036 1 884 . 1 1 86 86 LEU HD22 H 1 1.028 0.04 . 2 . . . . 709 LEU HD21 . 11036 1 885 . 1 1 86 86 LEU HD23 H 1 1.028 0.04 . 2 . . . . 709 LEU HD21 . 11036 1 886 . 1 1 87 87 ALA N N 15 121.264 0.4 . 1 . . . . 710 ALA N . 11036 1 887 . 1 1 87 87 ALA H H 1 8.136 0.04 . 1 . . . . 710 ALA HN . 11036 1 888 . 1 1 87 87 ALA CA C 13 55.439 0.4 . 1 . . . . 710 ALA CA . 11036 1 889 . 1 1 87 87 ALA HA H 1 4.217 0.04 . 1 . . . . 710 ALA HA . 11036 1 890 . 1 1 87 87 ALA CB C 13 17.525 0.4 . 1 . . . . 710 ALA CB . 11036 1 891 . 1 1 87 87 ALA HB1 H 1 1.760 0.04 . 1 . . . . 710 ALA HB1 . 11036 1 892 . 1 1 87 87 ALA HB2 H 1 1.760 0.04 . 1 . . . . 710 ALA HB1 . 11036 1 893 . 1 1 87 87 ALA HB3 H 1 1.760 0.04 . 1 . . . . 710 ALA HB1 . 11036 1 894 . 1 1 88 88 LEU N N 15 117.148 0.4 . 1 . . . . 711 LEU N . 11036 1 895 . 1 1 88 88 LEU H H 1 8.158 0.04 . 1 . . . . 711 LEU HN . 11036 1 896 . 1 1 88 88 LEU CA C 13 58.688 0.4 . 1 . . . . 711 LEU CA . 11036 1 897 . 1 1 88 88 LEU HA H 1 4.401 0.04 . 1 . . . . 711 LEU HA . 11036 1 898 . 1 1 88 88 LEU CB C 13 41.534 0.4 . 1 . . . . 711 LEU CB . 11036 1 899 . 1 1 88 88 LEU HB3 H 1 1.601 0.04 . 2 . . . . 711 LEU HB2 . 11036 1 900 . 1 1 88 88 LEU HB2 H 1 2.449 0.04 . 2 . . . . 711 LEU HB1 . 11036 1 901 . 1 1 88 88 LEU CG C 13 27.225 0.4 . 1 . . . . 711 LEU CG . 11036 1 902 . 1 1 88 88 LEU HG H 1 2.394 0.04 . 1 . . . . 711 LEU HG . 11036 1 903 . 1 1 88 88 LEU CD1 C 13 26.018 0.4 . 1 . . . . 711 LEU CD1 . 11036 1 904 . 1 1 88 88 LEU HD11 H 1 0.986 0.04 . 2 . . . . 711 LEU HD11 . 11036 1 905 . 1 1 88 88 LEU HD12 H 1 0.986 0.04 . 2 . . . . 711 LEU HD11 . 11036 1 906 . 1 1 88 88 LEU HD13 H 1 0.986 0.04 . 2 . . . . 711 LEU HD11 . 11036 1 907 . 1 1 88 88 LEU CD2 C 13 23.454 0.4 . 1 . . . . 711 LEU CD2 . 11036 1 908 . 1 1 88 88 LEU HD21 H 1 1.265 0.04 . 2 . . . . 711 LEU HD21 . 11036 1 909 . 1 1 88 88 LEU HD22 H 1 1.265 0.04 . 2 . . . . 711 LEU HD21 . 11036 1 910 . 1 1 88 88 LEU HD23 H 1 1.265 0.04 . 2 . . . . 711 LEU HD21 . 11036 1 911 . 1 1 89 89 PHE N N 15 117.048 0.4 . 1 . . . . 712 PHE N . 11036 1 912 . 1 1 89 89 PHE H H 1 8.536 0.04 . 1 . . . . 712 PHE HN . 11036 1 913 . 1 1 89 89 PHE CA C 13 62.732 0.4 . 1 . . . . 712 PHE CA . 11036 1 914 . 1 1 89 89 PHE HA H 1 3.971 0.04 . 1 . . . . 712 PHE HA . 11036 1 915 . 1 1 89 89 PHE CB C 13 40.351 0.4 . 1 . . . . 712 PHE CB . 11036 1 916 . 1 1 89 89 PHE HB3 H 1 3.274 0.04 . 2 . . . . 712 PHE HB2 . 11036 1 917 . 1 1 89 89 PHE HB2 H 1 3.392 0.04 . 2 . . . . 712 PHE HB1 . 11036 1 918 . 1 1 89 89 PHE CD1 C 13 130.773 0.4 . 3 . . . . 712 PHE CD1 . 11036 1 919 . 1 1 89 89 PHE HD1 H 1 6.836 0.04 . 3 . . . . 712 PHE HD1 . 11036 1 920 . 1 1 89 89 PHE CE1 C 13 129.891 0.4 . 3 . . . . 712 PHE CE1 . 11036 1 921 . 1 1 89 89 PHE HE1 H 1 6.887 0.04 . 3 . . . . 712 PHE HE1 . 11036 1 922 . 1 1 90 90 CYS N N 15 111.682 0.4 . 1 . . . . 713 CYS N . 11036 1 923 . 1 1 90 90 CYS H H 1 7.689 0.04 . 1 . . . . 713 CYS HN . 11036 1 924 . 1 1 90 90 CYS CA C 13 60.573 0.4 . 1 . . . . 713 CYS CA . 11036 1 925 . 1 1 90 90 CYS HA H 1 4.614 0.04 . 1 . . . . 713 CYS HA . 11036 1 926 . 1 1 90 90 CYS CB C 13 28.820 0.4 . 1 . . . . 713 CYS CB . 11036 1 927 . 1 1 90 90 CYS HB3 H 1 2.997 0.04 . 2 . . . . 713 CYS HB2 . 11036 1 928 . 1 1 90 90 CYS HB2 H 1 3.203 0.04 . 2 . . . . 713 CYS HB1 . 11036 1 929 . 1 1 91 91 HIS N N 15 123.036 0.4 . 1 . . . . 714 HIS N . 11036 1 930 . 1 1 91 91 HIS H H 1 7.517 0.04 . 1 . . . . 714 HIS HN . 11036 1 931 . 1 1 91 91 HIS CA C 13 54.945 0.4 . 1 . . . . 714 HIS CA . 11036 1 932 . 1 1 91 91 HIS HA H 1 4.939 0.04 . 1 . . . . 714 HIS HA . 11036 1 933 . 1 1 91 91 HIS CB C 13 31.433 0.4 . 1 . . . . 714 HIS CB . 11036 1 934 . 1 1 91 91 HIS HB3 H 1 2.997 0.04 . 2 . . . . 714 HIS HB2 . 11036 1 935 . 1 1 91 91 HIS HB2 H 1 3.141 0.04 . 2 . . . . 714 HIS HB1 . 11036 1 936 . 1 1 91 91 HIS CD2 C 13 118.014 0.4 . 1 . . . . 714 HIS CD2 . 11036 1 937 . 1 1 91 91 HIS HD2 H 1 6.232 0.04 . 1 . . . . 714 HIS HD2 . 11036 1 938 . 1 1 91 91 HIS CE1 C 13 138.360 0.4 . 1 . . . . 714 HIS CE1 . 11036 1 939 . 1 1 91 91 HIS HE1 H 1 6.958 0.04 . 1 . . . . 714 HIS HE1 . 11036 1 940 . 1 1 92 92 GLU CA C 13 61.506 0.4 . 1 . . . . 715 GLU CA . 11036 1 941 . 1 1 92 92 GLU HA H 1 4.052 0.04 . 1 . . . . 715 GLU HA . 11036 1 942 . 1 1 92 92 GLU CB C 13 26.765 0.4 . 1 . . . . 715 GLU CB . 11036 1 943 . 1 1 92 92 GLU HB3 H 1 1.986 0.04 . 2 . . . . 715 GLU HB2 . 11036 1 944 . 1 1 92 92 GLU HB2 H 1 2.021 0.04 . 2 . . . . 715 GLU HB1 . 11036 1 945 . 1 1 92 92 GLU CG C 13 35.652 0.4 . 1 . . . . 715 GLU CG . 11036 1 946 . 1 1 92 92 GLU HG2 H 1 2.294 0.04 . 2 . . . . 715 GLU HG1 . 11036 1 947 . 1 1 93 93 PRO CA C 13 65.272 0.4 . 1 . . . . 716 PRO CA . 11036 1 948 . 1 1 93 93 PRO HA H 1 4.294 0.04 . 1 . . . . 716 PRO HA . 11036 1 949 . 1 1 93 93 PRO CB C 13 31.486 0.4 . 1 . . . . 716 PRO CB . 11036 1 950 . 1 1 93 93 PRO HB3 H 1 1.387 0.04 . 2 . . . . 716 PRO HB2 . 11036 1 951 . 1 1 93 93 PRO HB2 H 1 2.300 0.04 . 2 . . . . 716 PRO HB1 . 11036 1 952 . 1 1 93 93 PRO CG C 13 28.367 0.4 . 1 . . . . 716 PRO CG . 11036 1 953 . 1 1 93 93 PRO HG3 H 1 1.506 0.04 . 2 . . . . 716 PRO HG2 . 11036 1 954 . 1 1 93 93 PRO HG2 H 1 1.685 0.04 . 2 . . . . 716 PRO HG1 . 11036 1 955 . 1 1 93 93 PRO CD C 13 49.067 0.4 . 1 . . . . 716 PRO CD . 11036 1 956 . 1 1 93 93 PRO HD3 H 1 1.186 0.04 . 2 . . . . 716 PRO HD2 . 11036 1 957 . 1 1 93 93 PRO HD2 H 1 3.200 0.04 . 2 . . . . 716 PRO HD1 . 11036 1 958 . 1 1 94 94 CYS N N 15 110.309 0.4 . 1 . . . . 717 CYS N . 11036 1 959 . 1 1 94 94 CYS H H 1 7.667 0.04 . 1 . . . . 717 CYS HN . 11036 1 960 . 1 1 94 94 CYS CA C 13 58.484 0.4 . 1 . . . . 717 CYS CA . 11036 1 961 . 1 1 94 94 CYS HA H 1 4.406 0.04 . 1 . . . . 717 CYS HA . 11036 1 962 . 1 1 94 94 CYS CB C 13 28.612 0.4 . 1 . . . . 717 CYS CB . 11036 1 963 . 1 1 94 94 CYS HB3 H 1 3.316 0.04 . 2 . . . . 717 CYS HB2 . 11036 1 964 . 1 1 94 94 CYS HB2 H 1 3.471 0.04 . 2 . . . . 717 CYS HB1 . 11036 1 965 . 1 1 95 95 ARG N N 15 122.655 0.4 . 1 . . . . 718 ARG N . 11036 1 966 . 1 1 95 95 ARG H H 1 7.928 0.04 . 1 . . . . 718 ARG HN . 11036 1 967 . 1 1 95 95 ARG CA C 13 60.829 0.4 . 1 . . . . 718 ARG CA . 11036 1 968 . 1 1 95 95 ARG HA H 1 3.740 0.04 . 1 . . . . 718 ARG HA . 11036 1 969 . 1 1 95 95 ARG CB C 13 28.131 0.4 . 1 . . . . 718 ARG CB . 11036 1 970 . 1 1 95 95 ARG HB3 H 1 1.577 0.04 . 2 . . . . 718 ARG HB2 . 11036 1 971 . 1 1 95 95 ARG HB2 H 1 1.702 0.04 . 2 . . . . 718 ARG HB1 . 11036 1 972 . 1 1 95 95 ARG CG C 13 26.955 0.4 . 1 . . . . 718 ARG CG . 11036 1 973 . 1 1 95 95 ARG HG3 H 1 1.569 0.04 . 2 . . . . 718 ARG HG2 . 11036 1 974 . 1 1 95 95 ARG HG2 H 1 1.892 0.04 . 2 . . . . 718 ARG HG1 . 11036 1 975 . 1 1 95 95 ARG CD C 13 42.454 0.4 . 1 . . . . 718 ARG CD . 11036 1 976 . 1 1 95 95 ARG HD2 H 1 3.065 0.04 . 2 . . . . 718 ARG HD1 . 11036 1 977 . 1 1 96 96 PRO CA C 13 65.328 0.4 . 1 . . . . 719 PRO CA . 11036 1 978 . 1 1 96 96 PRO HA H 1 4.456 0.04 . 1 . . . . 719 PRO HA . 11036 1 979 . 1 1 96 96 PRO CB C 13 31.665 0.4 . 1 . . . . 719 PRO CB . 11036 1 980 . 1 1 96 96 PRO HB3 H 1 1.597 0.04 . 2 . . . . 719 PRO HB2 . 11036 1 981 . 1 1 96 96 PRO HB2 H 1 2.567 0.04 . 2 . . . . 719 PRO HB1 . 11036 1 982 . 1 1 96 96 PRO CG C 13 28.138 0.4 . 1 . . . . 719 PRO CG . 11036 1 983 . 1 1 96 96 PRO HG2 H 1 2.017 0.04 . 2 . . . . 719 PRO HG1 . 11036 1 984 . 1 1 96 96 PRO CD C 13 50.951 0.4 . 1 . . . . 719 PRO CD . 11036 1 985 . 1 1 96 96 PRO HD3 H 1 3.449 0.04 . 2 . . . . 719 PRO HD2 . 11036 1 986 . 1 1 96 96 PRO HD2 H 1 3.591 0.04 . 2 . . . . 719 PRO HD1 . 11036 1 987 . 1 1 97 97 LEU N N 15 112.429 0.4 . 1 . . . . 720 LEU N . 11036 1 988 . 1 1 97 97 LEU H H 1 7.720 0.04 . 1 . . . . 720 LEU HN . 11036 1 989 . 1 1 97 97 LEU CA C 13 54.707 0.4 . 1 . . . . 720 LEU CA . 11036 1 990 . 1 1 97 97 LEU HA H 1 4.228 0.04 . 1 . . . . 720 LEU HA . 11036 1 991 . 1 1 97 97 LEU CB C 13 40.391 0.4 . 1 . . . . 720 LEU CB . 11036 1 992 . 1 1 97 97 LEU HB3 H 1 1.751 0.04 . 2 . . . . 720 LEU HB2 . 11036 1 993 . 1 1 97 97 LEU HB2 H 1 2.020 0.04 . 2 . . . . 720 LEU HB1 . 11036 1 994 . 1 1 97 97 LEU CG C 13 28.108 0.4 . 1 . . . . 720 LEU CG . 11036 1 995 . 1 1 97 97 LEU HG H 1 1.037 0.04 . 1 . . . . 720 LEU HG . 11036 1 996 . 1 1 97 97 LEU CD1 C 13 26.047 0.4 . 1 . . . . 720 LEU CD1 . 11036 1 997 . 1 1 97 97 LEU HD11 H 1 0.717 0.04 . 2 . . . . 720 LEU HD11 . 11036 1 998 . 1 1 97 97 LEU HD12 H 1 0.717 0.04 . 2 . . . . 720 LEU HD11 . 11036 1 999 . 1 1 97 97 LEU HD13 H 1 0.717 0.04 . 2 . . . . 720 LEU HD11 . 11036 1 1000 . 1 1 97 97 LEU CD2 C 13 24.076 0.4 . 1 . . . . 720 LEU CD2 . 11036 1 1001 . 1 1 97 97 LEU HD21 H 1 0.502 0.04 . 2 . . . . 720 LEU HD21 . 11036 1 1002 . 1 1 97 97 LEU HD22 H 1 0.502 0.04 . 2 . . . . 720 LEU HD21 . 11036 1 1003 . 1 1 97 97 LEU HD23 H 1 0.502 0.04 . 2 . . . . 720 LEU HD21 . 11036 1 1004 . 1 1 98 98 HIS N N 15 118.891 0.4 . 1 . . . . 721 HIS N . 11036 1 1005 . 1 1 98 98 HIS H H 1 7.964 0.04 . 1 . . . . 721 HIS HN . 11036 1 1006 . 1 1 98 98 HIS CA C 13 60.901 0.4 . 1 . . . . 721 HIS CA . 11036 1 1007 . 1 1 98 98 HIS HA H 1 4.190 0.04 . 1 . . . . 721 HIS HA . 11036 1 1008 . 1 1 98 98 HIS CB C 13 31.678 0.4 . 1 . . . . 721 HIS CB . 11036 1 1009 . 1 1 98 98 HIS HB3 H 1 3.163 0.04 . 2 . . . . 721 HIS HB2 . 11036 1 1010 . 1 1 98 98 HIS HB2 H 1 3.383 0.04 . 2 . . . . 721 HIS HB1 . 11036 1 1011 . 1 1 98 98 HIS CD2 C 13 116.170 0.4 . 1 . . . . 721 HIS CD2 . 11036 1 1012 . 1 1 98 98 HIS HD2 H 1 6.956 0.04 . 1 . . . . 721 HIS HD2 . 11036 1 1013 . 1 1 98 98 HIS CE1 C 13 138.569 0.4 . 1 . . . . 721 HIS CE1 . 11036 1 1014 . 1 1 98 98 HIS HE1 H 1 8.508 0.04 . 1 . . . . 721 HIS HE1 . 11036 1 1015 . 1 1 99 99 GLN N N 15 116.787 0.4 . 1 . . . . 722 GLN N . 11036 1 1016 . 1 1 99 99 GLN H H 1 8.090 0.04 . 1 . . . . 722 GLN HN . 11036 1 1017 . 1 1 99 99 GLN CA C 13 55.180 0.4 . 1 . . . . 722 GLN CA . 11036 1 1018 . 1 1 99 99 GLN HA H 1 4.808 0.04 . 1 . . . . 722 GLN HA . 11036 1 1019 . 1 1 99 99 GLN CB C 13 30.690 0.4 . 1 . . . . 722 GLN CB . 11036 1 1020 . 1 1 99 99 GLN HB3 H 1 1.932 0.04 . 2 . . . . 722 GLN HB2 . 11036 1 1021 . 1 1 99 99 GLN HB2 H 1 2.115 0.04 . 2 . . . . 722 GLN HB1 . 11036 1 1022 . 1 1 99 99 GLN CG C 13 34.208 0.4 . 1 . . . . 722 GLN CG . 11036 1 1023 . 1 1 99 99 GLN HG2 H 1 2.335 0.04 . 2 . . . . 722 GLN HG1 . 11036 1 1024 . 1 1 100 100 LEU H H 1 9.277 0.04 . 1 . . . . 723 LEU HN . 11036 1 1025 . 1 1 100 100 LEU CA C 13 55.397 0.4 . 1 . . . . 723 LEU CA . 11036 1 1026 . 1 1 100 100 LEU HA H 1 4.566 0.04 . 1 . . . . 723 LEU HA . 11036 1 1027 . 1 1 100 100 LEU CB C 13 43.862 0.4 . 1 . . . . 723 LEU CB . 11036 1 1028 . 1 1 100 100 LEU HB3 H 1 1.637 0.04 . 2 . . . . 723 LEU HB2 . 11036 1 1029 . 1 1 100 100 LEU HB2 H 1 1.711 0.04 . 2 . . . . 723 LEU HB1 . 11036 1 1030 . 1 1 100 100 LEU CG C 13 27.159 0.4 . 1 . . . . 723 LEU CG . 11036 1 1031 . 1 1 100 100 LEU HG H 1 1.692 0.04 . 1 . . . . 723 LEU HG . 11036 1 1032 . 1 1 100 100 LEU CD1 C 13 25.054 0.4 . 1 . . . . 723 LEU CD1 . 11036 1 1033 . 1 1 100 100 LEU HD11 H 1 1.057 0.04 . 2 . . . . 723 LEU HD11 . 11036 1 1034 . 1 1 100 100 LEU HD12 H 1 1.057 0.04 . 2 . . . . 723 LEU HD11 . 11036 1 1035 . 1 1 100 100 LEU HD13 H 1 1.057 0.04 . 2 . . . . 723 LEU HD11 . 11036 1 1036 . 1 1 100 100 LEU CD2 C 13 24.578 0.4 . 1 . . . . 723 LEU CD2 . 11036 1 1037 . 1 1 100 100 LEU HD21 H 1 1.077 0.04 . 2 . . . . 723 LEU HD21 . 11036 1 1038 . 1 1 100 100 LEU HD22 H 1 1.077 0.04 . 2 . . . . 723 LEU HD21 . 11036 1 1039 . 1 1 100 100 LEU HD23 H 1 1.077 0.04 . 2 . . . . 723 LEU HD21 . 11036 1 1040 . 1 1 101 101 ALA N N 15 123.211 0.4 . 1 . . . . 724 ALA N . 11036 1 1041 . 1 1 101 101 ALA H H 1 8.577 0.04 . 1 . . . . 724 ALA HN . 11036 1 1042 . 1 1 101 101 ALA CA C 13 52.591 0.4 . 1 . . . . 724 ALA CA . 11036 1 1043 . 1 1 101 101 ALA HA H 1 4.392 0.04 . 1 . . . . 724 ALA HA . 11036 1 1044 . 1 1 101 101 ALA CB C 13 19.262 0.4 . 1 . . . . 724 ALA CB . 11036 1 1045 . 1 1 101 101 ALA HB1 H 1 1.413 0.04 . 1 . . . . 724 ALA HB1 . 11036 1 1046 . 1 1 101 101 ALA HB2 H 1 1.413 0.04 . 1 . . . . 724 ALA HB1 . 11036 1 1047 . 1 1 101 101 ALA HB3 H 1 1.413 0.04 . 1 . . . . 724 ALA HB1 . 11036 1 1048 . 1 1 102 102 THR N N 15 112.189 0.4 . 1 . . . . 725 THR N . 11036 1 1049 . 1 1 102 102 THR H H 1 8.069 0.04 . 1 . . . . 725 THR HN . 11036 1 1050 . 1 1 102 102 THR CA C 13 61.802 0.4 . 1 . . . . 725 THR CA . 11036 1 1051 . 1 1 102 102 THR HA H 1 4.366 0.04 . 1 . . . . 725 THR HA . 11036 1 1052 . 1 1 102 102 THR CB C 13 69.684 0.4 . 1 . . . . 725 THR CB . 11036 1 1053 . 1 1 102 102 THR HB H 1 4.318 0.04 . 1 . . . . 725 THR HB . 11036 1 1054 . 1 1 102 102 THR CG2 C 13 21.572 0.4 . 1 . . . . 725 THR CG2 . 11036 1 1055 . 1 1 102 102 THR HG21 H 1 1.219 0.04 . 1 . . . . 725 THR HG21 . 11036 1 1056 . 1 1 102 102 THR HG22 H 1 1.219 0.04 . 1 . . . . 725 THR HG21 . 11036 1 1057 . 1 1 102 102 THR HG23 H 1 1.219 0.04 . 1 . . . . 725 THR HG21 . 11036 1 1058 . 1 1 103 103 ASP N N 15 121.846 0.4 . 1 . . . . 726 ASP N . 11036 1 1059 . 1 1 103 103 ASP H H 1 8.195 0.04 . 1 . . . . 726 ASP HN . 11036 1 1060 . 1 1 103 103 ASP CA C 13 54.057 0.4 . 1 . . . . 726 ASP CA . 11036 1 1061 . 1 1 103 103 ASP HA H 1 4.681 0.04 . 1 . . . . 726 ASP HA . 11036 1 1062 . 1 1 103 103 ASP CB C 13 41.228 0.4 . 1 . . . . 726 ASP CB . 11036 1 1063 . 1 1 103 103 ASP HB2 H 1 2.749 0.04 . 2 . . . . 726 ASP HB1 . 11036 1 1064 . 1 1 104 104 SER N N 15 116.230 0.4 . 1 . . . . 727 SER N . 11036 1 1065 . 1 1 104 104 SER H H 1 8.260 0.04 . 1 . . . . 727 SER HN . 11036 1 1066 . 1 1 104 104 SER CA C 13 58.945 0.4 . 1 . . . . 727 SER CA . 11036 1 1067 . 1 1 104 104 SER HA H 1 4.468 0.04 . 1 . . . . 727 SER HA . 11036 1 1068 . 1 1 104 104 SER CB C 13 63.856 0.4 . 1 . . . . 727 SER CB . 11036 1 1069 . 1 1 104 104 SER HB2 H 1 3.897 0.04 . 2 . . . . 727 SER HB1 . 11036 1 1070 . 1 1 105 105 THR N N 15 115.362 0.4 . 1 . . . . 728 THR N . 11036 1 1071 . 1 1 105 105 THR H H 1 8.205 0.04 . 1 . . . . 728 THR HN . 11036 1 1072 . 1 1 105 105 THR CA C 13 62.744 0.4 . 1 . . . . 728 THR CA . 11036 1 1073 . 1 1 105 105 THR HA H 1 4.238 0.04 . 1 . . . . 728 THR HA . 11036 1 1074 . 1 1 105 105 THR CB C 13 69.490 0.4 . 1 . . . . 728 THR CB . 11036 1 1075 . 1 1 105 105 THR HB H 1 4.138 0.04 . 1 . . . . 728 THR HB . 11036 1 1076 . 1 1 105 105 THR CG2 C 13 21.430 0.4 . 1 . . . . 728 THR CG2 . 11036 1 1077 . 1 1 105 105 THR HG21 H 1 1.116 0.04 . 1 . . . . 728 THR HG21 . 11036 1 1078 . 1 1 105 105 THR HG22 H 1 1.116 0.04 . 1 . . . . 728 THR HG21 . 11036 1 1079 . 1 1 105 105 THR HG23 H 1 1.116 0.04 . 1 . . . . 728 THR HG21 . 11036 1 1080 . 1 1 106 106 PHE N N 15 121.735 0.4 . 1 . . . . 729 PHE N . 11036 1 1081 . 1 1 106 106 PHE H H 1 8.047 0.04 . 1 . . . . 729 PHE HN . 11036 1 1082 . 1 1 106 106 PHE CA C 13 57.966 0.4 . 1 . . . . 729 PHE CA . 11036 1 1083 . 1 1 106 106 PHE HA H 1 4.626 0.04 . 1 . . . . 729 PHE HA . 11036 1 1084 . 1 1 106 106 PHE CB C 13 39.633 0.4 . 1 . . . . 729 PHE CB . 11036 1 1085 . 1 1 106 106 PHE HB3 H 1 3.065 0.04 . 2 . . . . 729 PHE HB2 . 11036 1 1086 . 1 1 106 106 PHE HB2 H 1 3.156 0.04 . 2 . . . . 729 PHE HB1 . 11036 1 1087 . 1 1 106 106 PHE CD1 C 13 131.297 0.4 . 3 . . . . 729 PHE CD1 . 11036 1 1088 . 1 1 106 106 PHE HD1 H 1 7.263 0.04 . 3 . . . . 729 PHE HD1 . 11036 1 1089 . 1 1 106 106 PHE HE1 H 1 7.313 0.04 . 3 . . . . 729 PHE HE1 . 11036 1 1090 . 1 1 107 107 SER N N 15 116.751 0.4 . 1 . . . . 730 SER N . 11036 1 1091 . 1 1 107 107 SER H H 1 7.962 0.04 . 1 . . . . 730 SER HN . 11036 1 1092 . 1 1 107 107 SER CA C 13 57.921 0.4 . 1 . . . . 730 SER CA . 11036 1 1093 . 1 1 107 107 SER HA H 1 4.413 0.04 . 1 . . . . 730 SER HA . 11036 1 1094 . 1 1 107 107 SER CB C 13 63.659 0.4 . 1 . . . . 730 SER CB . 11036 1 1095 . 1 1 107 107 SER HB3 H 1 3.796 0.04 . 2 . . . . 730 SER HB2 . 11036 1 1096 . 1 1 107 107 SER HB2 H 1 3.890 0.04 . 2 . . . . 730 SER HB1 . 11036 1 1097 . 1 1 108 108 LEU N N 15 123.373 0.4 . 1 . . . . 731 LEU N . 11036 1 1098 . 1 1 108 108 LEU H H 1 8.212 0.04 . 1 . . . . 731 LEU HN . 11036 1 1099 . 1 1 108 108 LEU CA C 13 55.650 0.4 . 1 . . . . 731 LEU CA . 11036 1 1100 . 1 1 108 108 LEU HA H 1 4.265 0.04 . 1 . . . . 731 LEU HA . 11036 1 1101 . 1 1 108 108 LEU CB C 13 42.257 0.4 . 1 . . . . 731 LEU CB . 11036 1 1102 . 1 1 108 108 LEU HB2 H 1 1.650 0.04 . 2 . . . . 731 LEU HB1 . 11036 1 1103 . 1 1 108 108 LEU CG C 13 26.786 0.4 . 1 . . . . 731 LEU CG . 11036 1 1104 . 1 1 108 108 LEU HG H 1 1.381 0.04 . 1 . . . . 731 LEU HG . 11036 1 1105 . 1 1 108 108 LEU CD1 C 13 24.825 0.4 . 1 . . . . 731 LEU CD1 . 11036 1 1106 . 1 1 108 108 LEU HD11 H 1 0.930 0.04 . 2 . . . . 731 LEU HD11 . 11036 1 1107 . 1 1 108 108 LEU HD12 H 1 0.930 0.04 . 2 . . . . 731 LEU HD11 . 11036 1 1108 . 1 1 108 108 LEU HD13 H 1 0.930 0.04 . 2 . . . . 731 LEU HD11 . 11036 1 1109 . 1 1 108 108 LEU CD2 C 13 23.462 0.4 . 1 . . . . 731 LEU CD2 . 11036 1 1110 . 1 1 108 108 LEU HD21 H 1 0.906 0.04 . 2 . . . . 731 LEU HD21 . 11036 1 1111 . 1 1 108 108 LEU HD22 H 1 0.906 0.04 . 2 . . . . 731 LEU HD21 . 11036 1 1112 . 1 1 108 108 LEU HD23 H 1 0.906 0.04 . 2 . . . . 731 LEU HD21 . 11036 1 1113 . 1 1 109 109 ASP N N 15 118.496 0.4 . 1 . . . . 732 ASP N . 11036 1 1114 . 1 1 109 109 ASP H H 1 8.172 0.04 . 1 . . . . 732 ASP HN . 11036 1 1115 . 1 1 109 109 ASP CA C 13 54.239 0.4 . 1 . . . . 732 ASP CA . 11036 1 1116 . 1 1 109 109 ASP HA H 1 4.566 0.04 . 1 . . . . 732 ASP HA . 11036 1 1117 . 1 1 109 109 ASP CB C 13 41.124 0.4 . 1 . . . . 732 ASP CB . 11036 1 1118 . 1 1 109 109 ASP HB3 H 1 2.601 0.04 . 2 . . . . 732 ASP HB2 . 11036 1 1119 . 1 1 109 109 ASP HB2 H 1 2.700 0.04 . 2 . . . . 732 ASP HB1 . 11036 1 1120 . 1 1 110 110 GLN N N 15 119.403 0.4 . 1 . . . . 733 GLN N . 11036 1 1121 . 1 1 110 110 GLN H H 1 7.707 0.04 . 1 . . . . 733 GLN HN . 11036 1 1122 . 1 1 110 110 GLN CA C 13 53.251 0.4 . 1 . . . . 733 GLN CA . 11036 1 1123 . 1 1 110 110 GLN HA H 1 4.675 0.04 . 1 . . . . 733 GLN HA . 11036 1 1124 . 1 1 110 110 GLN CB C 13 29.061 0.4 . 1 . . . . 733 GLN CB . 11036 1 1125 . 1 1 110 110 GLN HB3 H 1 1.894 0.04 . 2 . . . . 733 GLN HB2 . 11036 1 1126 . 1 1 110 110 GLN HB2 H 1 2.069 0.04 . 2 . . . . 733 GLN HB1 . 11036 1 1127 . 1 1 110 110 GLN CG C 13 33.060 0.4 . 1 . . . . 733 GLN CG . 11036 1 1128 . 1 1 110 110 GLN HG2 H 1 2.287 0.04 . 2 . . . . 733 GLN HG1 . 11036 1 1129 . 1 1 111 111 PRO CA C 13 63.869 0.4 . 1 . . . . 734 PRO CA . 11036 1 1130 . 1 1 111 111 PRO HA H 1 4.435 0.04 . 1 . . . . 734 PRO HA . 11036 1 1131 . 1 1 111 111 PRO CB C 13 31.900 0.4 . 1 . . . . 734 PRO CB . 11036 1 1132 . 1 1 111 111 PRO HB3 H 1 1.968 0.04 . 2 . . . . 734 PRO HB2 . 11036 1 1133 . 1 1 111 111 PRO HB2 H 1 2.302 0.04 . 2 . . . . 734 PRO HB1 . 11036 1 1134 . 1 1 111 111 PRO CG C 13 27.176 0.4 . 1 . . . . 734 PRO CG . 11036 1 1135 . 1 1 111 111 PRO HG2 H 1 2.055 0.04 . 2 . . . . 734 PRO HG1 . 11036 1 1136 . 1 1 111 111 PRO CD C 13 50.576 0.4 . 1 . . . . 734 PRO CD . 11036 1 1137 . 1 1 111 111 PRO HD3 H 1 3.671 0.04 . 2 . . . . 734 PRO HD2 . 11036 1 1138 . 1 1 111 111 PRO HD2 H 1 3.737 0.04 . 2 . . . . 734 PRO HD1 . 11036 1 1139 . 1 1 112 112 GLY N N 15 109.783 0.4 . 1 . . . . 735 GLY N . 11036 1 1140 . 1 1 112 112 GLY H H 1 8.510 0.04 . 1 . . . . 735 GLY HN . 11036 1 1141 . 1 1 112 112 GLY CA C 13 44.954 0.4 . 1 . . . . 735 GLY CA . 11036 1 1142 . 1 1 112 112 GLY HA3 H 1 3.903 0.04 . 2 . . . . 735 GLY HA2 . 11036 1 1143 . 1 1 112 112 GLY HA2 H 1 3.994 0.04 . 2 . . . . 735 GLY HA1 . 11036 1 1144 . 1 1 113 113 GLY N N 15 108.485 0.4 . 1 . . . . 736 GLY N . 11036 1 1145 . 1 1 113 113 GLY H H 1 8.138 0.04 . 1 . . . . 736 GLY HN . 11036 1 1146 . 1 1 113 113 GLY CA C 13 44.755 0.4 . 1 . . . . 736 GLY CA . 11036 1 1147 . 1 1 113 113 GLY HA3 H 1 3.899 0.04 . 2 . . . . 736 GLY HA2 . 11036 1 1148 . 1 1 113 113 GLY HA2 H 1 3.964 0.04 . 2 . . . . 736 GLY HA1 . 11036 1 1149 . 1 1 114 114 THR N N 15 116.361 0.4 . 1 . . . . 737 THR N . 11036 1 1150 . 1 1 114 114 THR H H 1 7.951 0.04 . 1 . . . . 737 THR HN . 11036 1 1151 . 1 1 114 114 THR CA C 13 62.508 0.4 . 1 . . . . 737 THR CA . 11036 1 1152 . 1 1 114 114 THR HA H 1 4.189 0.04 . 1 . . . . 737 THR HA . 11036 1 1153 . 1 1 114 114 THR CB C 13 69.780 0.4 . 1 . . . . 737 THR CB . 11036 1 1154 . 1 1 114 114 THR HB H 1 3.978 0.04 . 1 . . . . 737 THR HB . 11036 1 1155 . 1 1 114 114 THR CG2 C 13 22.021 0.4 . 1 . . . . 737 THR CG2 . 11036 1 1156 . 1 1 114 114 THR HG21 H 1 1.165 0.04 . 1 . . . . 737 THR HG21 . 11036 1 1157 . 1 1 114 114 THR HG22 H 1 1.165 0.04 . 1 . . . . 737 THR HG21 . 11036 1 1158 . 1 1 114 114 THR HG23 H 1 1.165 0.04 . 1 . . . . 737 THR HG21 . 11036 1 1159 . 1 1 115 115 LEU N N 15 125.899 0.4 . 1 . . . . 738 LEU N . 11036 1 1160 . 1 1 115 115 LEU H H 1 8.575 0.04 . 1 . . . . 738 LEU HN . 11036 1 1161 . 1 1 115 115 LEU CA C 13 54.534 0.4 . 1 . . . . 738 LEU CA . 11036 1 1162 . 1 1 115 115 LEU HA H 1 4.452 0.04 . 1 . . . . 738 LEU HA . 11036 1 1163 . 1 1 115 115 LEU CB C 13 45.506 0.4 . 1 . . . . 738 LEU CB . 11036 1 1164 . 1 1 115 115 LEU HB3 H 1 1.291 0.04 . 2 . . . . 738 LEU HB2 . 11036 1 1165 . 1 1 115 115 LEU HB2 H 1 1.472 0.04 . 2 . . . . 738 LEU HB1 . 11036 1 1166 . 1 1 115 115 LEU CG C 13 27.236 0.4 . 1 . . . . 738 LEU CG . 11036 1 1167 . 1 1 115 115 LEU HG H 1 1.541 0.04 . 1 . . . . 738 LEU HG . 11036 1 1168 . 1 1 115 115 LEU CD1 C 13 25.960 0.4 . 1 . . . . 738 LEU CD1 . 11036 1 1169 . 1 1 115 115 LEU HD11 H 1 0.859 0.04 . 2 . . . . 738 LEU HD11 . 11036 1 1170 . 1 1 115 115 LEU HD12 H 1 0.859 0.04 . 2 . . . . 738 LEU HD11 . 11036 1 1171 . 1 1 115 115 LEU HD13 H 1 0.859 0.04 . 2 . . . . 738 LEU HD11 . 11036 1 1172 . 1 1 115 115 LEU CD2 C 13 24.354 0.4 . 1 . . . . 738 LEU CD2 . 11036 1 1173 . 1 1 115 115 LEU HD21 H 1 0.805 0.04 . 2 . . . . 738 LEU HD21 . 11036 1 1174 . 1 1 115 115 LEU HD22 H 1 0.805 0.04 . 2 . . . . 738 LEU HD21 . 11036 1 1175 . 1 1 115 115 LEU HD23 H 1 0.805 0.04 . 2 . . . . 738 LEU HD21 . 11036 1 1176 . 1 1 116 116 ASP N N 15 115.416 0.4 . 1 . . . . 739 ASP N . 11036 1 1177 . 1 1 116 116 ASP H H 1 6.819 0.04 . 1 . . . . 739 ASP HN . 11036 1 1178 . 1 1 116 116 ASP CA C 13 52.606 0.4 . 1 . . . . 739 ASP CA . 11036 1 1179 . 1 1 116 116 ASP HA H 1 4.472 0.04 . 1 . . . . 739 ASP HA . 11036 1 1180 . 1 1 116 116 ASP CB C 13 42.811 0.4 . 1 . . . . 739 ASP CB . 11036 1 1181 . 1 1 116 116 ASP HB3 H 1 2.778 0.04 . 2 . . . . 739 ASP HB2 . 11036 1 1182 . 1 1 116 116 ASP HB2 H 1 3.161 0.04 . 2 . . . . 739 ASP HB1 . 11036 1 1183 . 1 1 117 117 LEU N N 15 115.281 0.4 . 1 . . . . 740 LEU N . 11036 1 1184 . 1 1 117 117 LEU H H 1 8.213 0.04 . 1 . . . . 740 LEU HN . 11036 1 1185 . 1 1 117 117 LEU CA C 13 57.750 0.4 . 1 . . . . 740 LEU CA . 11036 1 1186 . 1 1 117 117 LEU HA H 1 3.841 0.04 . 1 . . . . 740 LEU HA . 11036 1 1187 . 1 1 117 117 LEU CB C 13 42.005 0.4 . 1 . . . . 740 LEU CB . 11036 1 1188 . 1 1 117 117 LEU HB3 H 1 0.639 0.04 . 2 . . . . 740 LEU HB2 . 11036 1 1189 . 1 1 117 117 LEU HB2 H 1 1.235 0.04 . 2 . . . . 740 LEU HB1 . 11036 1 1190 . 1 1 117 117 LEU CG C 13 26.019 0.4 . 1 . . . . 740 LEU CG . 11036 1 1191 . 1 1 117 117 LEU HG H 1 1.361 0.04 . 1 . . . . 740 LEU HG . 11036 1 1192 . 1 1 117 117 LEU CD1 C 13 25.760 0.4 . 1 . . . . 740 LEU CD1 . 11036 1 1193 . 1 1 117 117 LEU HD11 H 1 0.172 0.04 . 2 . . . . 740 LEU HD11 . 11036 1 1194 . 1 1 117 117 LEU HD12 H 1 0.172 0.04 . 2 . . . . 740 LEU HD11 . 11036 1 1195 . 1 1 117 117 LEU HD13 H 1 0.172 0.04 . 2 . . . . 740 LEU HD11 . 11036 1 1196 . 1 1 117 117 LEU CD2 C 13 23.891 0.4 . 1 . . . . 740 LEU CD2 . 11036 1 1197 . 1 1 117 117 LEU HD21 H 1 0.408 0.04 . 2 . . . . 740 LEU HD21 . 11036 1 1198 . 1 1 117 117 LEU HD22 H 1 0.408 0.04 . 2 . . . . 740 LEU HD21 . 11036 1 1199 . 1 1 117 117 LEU HD23 H 1 0.408 0.04 . 2 . . . . 740 LEU HD21 . 11036 1 1200 . 1 1 118 118 THR N N 15 116.995 0.4 . 1 . . . . 741 THR N . 11036 1 1201 . 1 1 118 118 THR H H 1 8.152 0.04 . 1 . . . . 741 THR HN . 11036 1 1202 . 1 1 118 118 THR CA C 13 68.068 0.4 . 1 . . . . 741 THR CA . 11036 1 1203 . 1 1 118 118 THR HA H 1 4.054 0.04 . 1 . . . . 741 THR HA . 11036 1 1204 . 1 1 118 118 THR CB C 13 68.392 0.4 . 1 . . . . 741 THR CB . 11036 1 1205 . 1 1 118 118 THR HB H 1 4.634 0.04 . 1 . . . . 741 THR HB . 11036 1 1206 . 1 1 118 118 THR CG2 C 13 21.313 0.4 . 1 . . . . 741 THR CG2 . 11036 1 1207 . 1 1 118 118 THR HG21 H 1 1.363 0.04 . 1 . . . . 741 THR HG21 . 11036 1 1208 . 1 1 118 118 THR HG22 H 1 1.363 0.04 . 1 . . . . 741 THR HG21 . 11036 1 1209 . 1 1 118 118 THR HG23 H 1 1.363 0.04 . 1 . . . . 741 THR HG21 . 11036 1 1210 . 1 1 119 119 LEU N N 15 127.180 0.4 . 1 . . . . 742 LEU N . 11036 1 1211 . 1 1 119 119 LEU H H 1 8.804 0.04 . 1 . . . . 742 LEU HN . 11036 1 1212 . 1 1 119 119 LEU CA C 13 58.460 0.4 . 1 . . . . 742 LEU CA . 11036 1 1213 . 1 1 119 119 LEU HA H 1 4.214 0.04 . 1 . . . . 742 LEU HA . 11036 1 1214 . 1 1 119 119 LEU CB C 13 42.491 0.4 . 1 . . . . 742 LEU CB . 11036 1 1215 . 1 1 119 119 LEU HB3 H 1 1.595 0.04 . 2 . . . . 742 LEU HB2 . 11036 1 1216 . 1 1 119 119 LEU HB2 H 1 1.853 0.04 . 2 . . . . 742 LEU HB1 . 11036 1 1217 . 1 1 119 119 LEU CG C 13 27.447 0.4 . 1 . . . . 742 LEU CG . 11036 1 1218 . 1 1 119 119 LEU HG H 1 1.858 0.04 . 1 . . . . 742 LEU HG . 11036 1 1219 . 1 1 119 119 LEU CD1 C 13 26.021 0.4 . 1 . . . . 742 LEU CD1 . 11036 1 1220 . 1 1 119 119 LEU HD11 H 1 0.971 0.04 . 2 . . . . 742 LEU HD11 . 11036 1 1221 . 1 1 119 119 LEU HD12 H 1 0.971 0.04 . 2 . . . . 742 LEU HD11 . 11036 1 1222 . 1 1 119 119 LEU HD13 H 1 0.971 0.04 . 2 . . . . 742 LEU HD11 . 11036 1 1223 . 1 1 119 119 LEU CD2 C 13 23.612 0.4 . 1 . . . . 742 LEU CD2 . 11036 1 1224 . 1 1 119 119 LEU HD21 H 1 0.882 0.04 . 2 . . . . 742 LEU HD21 . 11036 1 1225 . 1 1 119 119 LEU HD22 H 1 0.882 0.04 . 2 . . . . 742 LEU HD21 . 11036 1 1226 . 1 1 119 119 LEU HD23 H 1 0.882 0.04 . 2 . . . . 742 LEU HD21 . 11036 1 1227 . 1 1 120 120 ILE N N 15 120.880 0.4 . 1 . . . . 743 ILE N . 11036 1 1228 . 1 1 120 120 ILE H H 1 7.884 0.04 . 1 . . . . 743 ILE HN . 11036 1 1229 . 1 1 120 120 ILE CA C 13 65.546 0.4 . 1 . . . . 743 ILE CA . 11036 1 1230 . 1 1 120 120 ILE HA H 1 4.101 0.04 . 1 . . . . 743 ILE HA . 11036 1 1231 . 1 1 120 120 ILE CB C 13 38.693 0.4 . 1 . . . . 743 ILE CB . 11036 1 1232 . 1 1 120 120 ILE HB H 1 1.840 0.04 . 1 . . . . 743 ILE HB . 11036 1 1233 . 1 1 120 120 ILE CG1 C 13 29.056 0.4 . 1 . . . . 743 ILE CG1 . 11036 1 1234 . 1 1 120 120 ILE HG13 H 1 1.172 0.04 . 1 . . . . 743 ILE HG12 . 11036 1 1235 . 1 1 120 120 ILE HG12 H 1 1.881 0.04 . 1 . . . . 743 ILE HG11 . 11036 1 1236 . 1 1 120 120 ILE CD1 C 13 14.017 0.4 . 1 . . . . 743 ILE CD1 . 11036 1 1237 . 1 1 120 120 ILE HD11 H 1 0.548 0.04 . 1 . . . . 743 ILE HD11 . 11036 1 1238 . 1 1 120 120 ILE HD12 H 1 0.548 0.04 . 1 . . . . 743 ILE HD11 . 11036 1 1239 . 1 1 120 120 ILE HD13 H 1 0.548 0.04 . 1 . . . . 743 ILE HD11 . 11036 1 1240 . 1 1 120 120 ILE CG2 C 13 17.283 0.4 . 1 . . . . 743 ILE CG2 . 11036 1 1241 . 1 1 120 120 ILE HG21 H 1 1.241 0.04 . 1 . . . . 743 ILE HG21 . 11036 1 1242 . 1 1 120 120 ILE HG22 H 1 1.241 0.04 . 1 . . . . 743 ILE HG21 . 11036 1 1243 . 1 1 120 120 ILE HG23 H 1 1.241 0.04 . 1 . . . . 743 ILE HG21 . 11036 1 1244 . 1 1 121 121 ARG N N 15 119.772 0.4 . 1 . . . . 744 ARG N . 11036 1 1245 . 1 1 121 121 ARG H H 1 8.792 0.04 . 1 . . . . 744 ARG HN . 11036 1 1246 . 1 1 121 121 ARG CA C 13 60.369 0.4 . 1 . . . . 744 ARG CA . 11036 1 1247 . 1 1 121 121 ARG HA H 1 3.896 0.04 . 1 . . . . 744 ARG HA . 11036 1 1248 . 1 1 121 121 ARG CB C 13 30.241 0.4 . 1 . . . . 744 ARG CB . 11036 1 1249 . 1 1 121 121 ARG HB3 H 1 2.140 0.04 . 2 . . . . 744 ARG HB2 . 11036 1 1250 . 1 1 121 121 ARG HB2 H 1 2.555 0.04 . 2 . . . . 744 ARG HB1 . 11036 1 1251 . 1 1 121 121 ARG CG C 13 26.491 0.4 . 1 . . . . 744 ARG CG . 11036 1 1252 . 1 1 121 121 ARG HG3 H 1 1.562 0.04 . 2 . . . . 744 ARG HG2 . 11036 1 1253 . 1 1 121 121 ARG HG2 H 1 1.679 0.04 . 2 . . . . 744 ARG HG1 . 11036 1 1254 . 1 1 121 121 ARG CD C 13 43.675 0.4 . 1 . . . . 744 ARG CD . 11036 1 1255 . 1 1 121 121 ARG HD3 H 1 2.931 0.04 . 2 . . . . 744 ARG HD2 . 11036 1 1256 . 1 1 121 121 ARG HD2 H 1 3.187 0.04 . 2 . . . . 744 ARG HD1 . 11036 1 1257 . 1 1 122 122 ALA N N 15 120.978 0.4 . 1 . . . . 745 ALA N . 11036 1 1258 . 1 1 122 122 ALA H H 1 8.303 0.04 . 1 . . . . 745 ALA HN . 11036 1 1259 . 1 1 122 122 ALA CA C 13 55.203 0.4 . 1 . . . . 745 ALA CA . 11036 1 1260 . 1 1 122 122 ALA HA H 1 4.246 0.04 . 1 . . . . 745 ALA HA . 11036 1 1261 . 1 1 122 122 ALA CB C 13 18.005 0.4 . 1 . . . . 745 ALA CB . 11036 1 1262 . 1 1 122 122 ALA HB1 H 1 1.583 0.04 . 1 . . . . 745 ALA HB1 . 11036 1 1263 . 1 1 122 122 ALA HB2 H 1 1.583 0.04 . 1 . . . . 745 ALA HB1 . 11036 1 1264 . 1 1 122 122 ALA HB3 H 1 1.583 0.04 . 1 . . . . 745 ALA HB1 . 11036 1 1265 . 1 1 123 123 ARG N N 15 119.408 0.4 . 1 . . . . 746 ARG N . 11036 1 1266 . 1 1 123 123 ARG H H 1 8.224 0.04 . 1 . . . . 746 ARG HN . 11036 1 1267 . 1 1 123 123 ARG CA C 13 59.895 0.4 . 1 . . . . 746 ARG CA . 11036 1 1268 . 1 1 123 123 ARG HA H 1 4.335 0.04 . 1 . . . . 746 ARG HA . 11036 1 1269 . 1 1 123 123 ARG CB C 13 29.768 0.4 . 1 . . . . 746 ARG CB . 11036 1 1270 . 1 1 123 123 ARG HB3 H 1 1.744 0.04 . 2 . . . . 746 ARG HB2 . 11036 1 1271 . 1 1 123 123 ARG HB2 H 1 1.877 0.04 . 2 . . . . 746 ARG HB1 . 11036 1 1272 . 1 1 123 123 ARG CG C 13 27.619 0.4 . 1 . . . . 746 ARG CG . 11036 1 1273 . 1 1 123 123 ARG HG2 H 1 0.993 0.04 . 2 . . . . 746 ARG HG1 . 11036 1 1274 . 1 1 123 123 ARG CD C 13 42.754 0.4 . 1 . . . . 746 ARG CD . 11036 1 1275 . 1 1 123 123 ARG HD3 H 1 2.650 0.04 . 2 . . . . 746 ARG HD2 . 11036 1 1276 . 1 1 123 123 ARG HD2 H 1 2.806 0.04 . 2 . . . . 746 ARG HD1 . 11036 1 1277 . 1 1 123 123 ARG NH1 N 15 83.946 0.4 . 2 . . . . 746 ARG NH1 . 11036 1 1278 . 1 1 123 123 ARG HH11 H 1 6.709 0.04 . 1 . . . . 746 ARG HH11 . 11036 1 1279 . 1 1 124 124 LEU N N 15 125.115 0.4 . 1 . . . . 747 LEU N . 11036 1 1280 . 1 1 124 124 LEU H H 1 9.029 0.04 . 1 . . . . 747 LEU HN . 11036 1 1281 . 1 1 124 124 LEU CA C 13 57.559 0.4 . 1 . . . . 747 LEU CA . 11036 1 1282 . 1 1 124 124 LEU HA H 1 4.925 0.04 . 1 . . . . 747 LEU HA . 11036 1 1283 . 1 1 124 124 LEU CB C 13 42.721 0.4 . 1 . . . . 747 LEU CB . 11036 1 1284 . 1 1 124 124 LEU HB3 H 1 1.860 0.04 . 2 . . . . 747 LEU HB2 . 11036 1 1285 . 1 1 124 124 LEU HB2 H 1 2.192 0.04 . 2 . . . . 747 LEU HB1 . 11036 1 1286 . 1 1 124 124 LEU CG C 13 27.190 0.4 . 1 . . . . 747 LEU CG . 11036 1 1287 . 1 1 124 124 LEU HG H 1 1.855 0.04 . 1 . . . . 747 LEU HG . 11036 1 1288 . 1 1 124 124 LEU CD1 C 13 26.959 0.4 . 1 . . . . 747 LEU CD1 . 11036 1 1289 . 1 1 124 124 LEU HD11 H 1 0.796 0.04 . 2 . . . . 747 LEU HD11 . 11036 1 1290 . 1 1 124 124 LEU HD12 H 1 0.796 0.04 . 2 . . . . 747 LEU HD11 . 11036 1 1291 . 1 1 124 124 LEU HD13 H 1 0.796 0.04 . 2 . . . . 747 LEU HD11 . 11036 1 1292 . 1 1 124 124 LEU CD2 C 13 24.349 0.4 . 1 . . . . 747 LEU CD2 . 11036 1 1293 . 1 1 124 124 LEU HD21 H 1 0.966 0.04 . 2 . . . . 747 LEU HD21 . 11036 1 1294 . 1 1 124 124 LEU HD22 H 1 0.966 0.04 . 2 . . . . 747 LEU HD21 . 11036 1 1295 . 1 1 124 124 LEU HD23 H 1 0.966 0.04 . 2 . . . . 747 LEU HD21 . 11036 1 1296 . 1 1 125 125 GLN N N 15 114.117 0.4 . 1 . . . . 748 GLN N . 11036 1 1297 . 1 1 125 125 GLN H H 1 8.418 0.04 . 1 . . . . 748 GLN HN . 11036 1 1298 . 1 1 125 125 GLN CA C 13 55.664 0.4 . 1 . . . . 748 GLN CA . 11036 1 1299 . 1 1 125 125 GLN HA H 1 4.444 0.04 . 1 . . . . 748 GLN HA . 11036 1 1300 . 1 1 125 125 GLN CB C 13 29.301 0.4 . 1 . . . . 748 GLN CB . 11036 1 1301 . 1 1 125 125 GLN HB3 H 1 2.160 0.04 . 2 . . . . 748 GLN HB2 . 11036 1 1302 . 1 1 125 125 GLN HB2 H 1 2.250 0.04 . 2 . . . . 748 GLN HB1 . 11036 1 1303 . 1 1 125 125 GLN CG C 13 34.733 0.4 . 1 . . . . 748 GLN CG . 11036 1 1304 . 1 1 125 125 GLN HG3 H 1 2.465 0.04 . 2 . . . . 748 GLN HG2 . 11036 1 1305 . 1 1 125 125 GLN HG2 H 1 2.597 0.04 . 2 . . . . 748 GLN HG1 . 11036 1 1306 . 1 1 125 125 GLN NE2 N 15 112.097 0.4 . 1 . . . . 748 GLN NE2 . 11036 1 1307 . 1 1 125 125 GLN HE21 H 1 7.363 0.04 . 2 . . . . 748 GLN HE21 . 11036 1 1308 . 1 1 125 125 GLN HE22 H 1 7.108 0.04 . 2 . . . . 748 GLN HE22 . 11036 1 1309 . 1 1 126 126 GLU N N 15 113.381 0.4 . 1 . . . . 749 GLU N . 11036 1 1310 . 1 1 126 126 GLU H H 1 7.978 0.04 . 1 . . . . 749 GLU HN . 11036 1 1311 . 1 1 126 126 GLU CA C 13 57.789 0.4 . 1 . . . . 749 GLU CA . 11036 1 1312 . 1 1 126 126 GLU HA H 1 4.156 0.04 . 1 . . . . 749 GLU HA . 11036 1 1313 . 1 1 126 126 GLU CB C 13 25.906 0.4 . 1 . . . . 749 GLU CB . 11036 1 1314 . 1 1 126 126 GLU HB2 H 1 2.309 0.04 . 2 . . . . 749 GLU HB1 . 11036 1 1315 . 1 1 126 126 GLU CG C 13 37.277 0.4 . 1 . . . . 749 GLU CG . 11036 1 1316 . 1 1 126 126 GLU HG3 H 1 2.220 0.04 . 2 . . . . 749 GLU HG2 . 11036 1 1317 . 1 1 126 126 GLU HG2 H 1 2.298 0.04 . 2 . . . . 749 GLU HG1 . 11036 1 1318 . 1 1 127 127 LYS N N 15 116.557 0.4 . 1 . . . . 750 LYS N . 11036 1 1319 . 1 1 127 127 LYS H H 1 8.538 0.04 . 1 . . . . 750 LYS HN . 11036 1 1320 . 1 1 127 127 LYS CA C 13 56.417 0.4 . 1 . . . . 750 LYS CA . 11036 1 1321 . 1 1 127 127 LYS HA H 1 4.344 0.04 . 1 . . . . 750 LYS HA . 11036 1 1322 . 1 1 127 127 LYS CB C 13 33.029 0.4 . 1 . . . . 750 LYS CB . 11036 1 1323 . 1 1 127 127 LYS HB3 H 1 1.698 0.04 . 2 . . . . 750 LYS HB2 . 11036 1 1324 . 1 1 127 127 LYS HB2 H 1 2.013 0.04 . 2 . . . . 750 LYS HB1 . 11036 1 1325 . 1 1 127 127 LYS CG C 13 25.305 0.4 . 1 . . . . 750 LYS CG . 11036 1 1326 . 1 1 127 127 LYS HG3 H 1 1.406 0.04 . 2 . . . . 750 LYS HG2 . 11036 1 1327 . 1 1 127 127 LYS HG2 H 1 1.483 0.04 . 2 . . . . 750 LYS HG1 . 11036 1 1328 . 1 1 127 127 LYS CD C 13 28.249 0.4 . 1 . . . . 750 LYS CD . 11036 1 1329 . 1 1 127 127 LYS HD2 H 1 1.554 0.04 . 2 . . . . 750 LYS HD1 . 11036 1 1330 . 1 1 127 127 LYS CE C 13 42.003 0.4 . 1 . . . . 750 LYS CE . 11036 1 1331 . 1 1 127 127 LYS HE2 H 1 2.966 0.04 . 2 . . . . 750 LYS HE1 . 11036 1 1332 . 1 1 128 128 LEU N N 15 119.986 0.4 . 1 . . . . 751 LEU N . 11036 1 1333 . 1 1 128 128 LEU H H 1 6.949 0.04 . 1 . . . . 751 LEU HN . 11036 1 1334 . 1 1 128 128 LEU CA C 13 53.476 0.4 . 1 . . . . 751 LEU CA . 11036 1 1335 . 1 1 128 128 LEU HA H 1 4.532 0.04 . 1 . . . . 751 LEU HA . 11036 1 1336 . 1 1 128 128 LEU CB C 13 45.503 0.4 . 1 . . . . 751 LEU CB . 11036 1 1337 . 1 1 128 128 LEU HB3 H 1 1.186 0.04 . 2 . . . . 751 LEU HB2 . 11036 1 1338 . 1 1 128 128 LEU HB2 H 1 1.408 0.04 . 2 . . . . 751 LEU HB1 . 11036 1 1339 . 1 1 128 128 LEU CG C 13 26.947 0.4 . 1 . . . . 751 LEU CG . 11036 1 1340 . 1 1 128 128 LEU HG H 1 1.422 0.04 . 1 . . . . 751 LEU HG . 11036 1 1341 . 1 1 128 128 LEU CD1 C 13 24.694 0.4 . 1 . . . . 751 LEU CD1 . 11036 1 1342 . 1 1 128 128 LEU HD11 H 1 0.919 0.04 . 2 . . . . 751 LEU HD11 . 11036 1 1343 . 1 1 128 128 LEU HD12 H 1 0.919 0.04 . 2 . . . . 751 LEU HD11 . 11036 1 1344 . 1 1 128 128 LEU HD13 H 1 0.919 0.04 . 2 . . . . 751 LEU HD11 . 11036 1 1345 . 1 1 128 128 LEU CD2 C 13 25.099 0.4 . 1 . . . . 751 LEU CD2 . 11036 1 1346 . 1 1 128 128 LEU HD21 H 1 0.914 0.04 . 2 . . . . 751 LEU HD21 . 11036 1 1347 . 1 1 128 128 LEU HD22 H 1 0.914 0.04 . 2 . . . . 751 LEU HD21 . 11036 1 1348 . 1 1 128 128 LEU HD23 H 1 0.914 0.04 . 2 . . . . 751 LEU HD21 . 11036 1 1349 . 1 1 129 129 SER N N 15 118.455 0.4 . 1 . . . . 752 SER N . 11036 1 1350 . 1 1 129 129 SER H H 1 8.225 0.04 . 1 . . . . 752 SER HN . 11036 1 1351 . 1 1 129 129 SER CA C 13 56.129 0.4 . 1 . . . . 752 SER CA . 11036 1 1352 . 1 1 129 129 SER HA H 1 4.434 0.04 . 1 . . . . 752 SER HA . 11036 1 1353 . 1 1 129 129 SER CB C 13 63.911 0.4 . 1 . . . . 752 SER CB . 11036 1 1354 . 1 1 129 129 SER HB3 H 1 3.760 0.04 . 2 . . . . 752 SER HB2 . 11036 1 1355 . 1 1 129 129 SER HB2 H 1 3.795 0.04 . 2 . . . . 752 SER HB1 . 11036 1 1356 . 1 1 130 130 PRO CA C 13 61.355 0.4 . 1 . . . . 753 PRO CA . 11036 1 1357 . 1 1 130 130 PRO HA H 1 5.026 0.04 . 1 . . . . 753 PRO HA . 11036 1 1358 . 1 1 130 130 PRO CB C 13 32.831 0.4 . 1 . . . . 753 PRO CB . 11036 1 1359 . 1 1 130 130 PRO HB3 H 1 2.190 0.04 . 2 . . . . 753 PRO HB2 . 11036 1 1360 . 1 1 130 130 PRO HB2 H 1 2.420 0.04 . 2 . . . . 753 PRO HB1 . 11036 1 1361 . 1 1 130 130 PRO CG C 13 24.134 0.4 . 1 . . . . 753 PRO CG . 11036 1 1362 . 1 1 130 130 PRO HG3 H 1 1.864 0.04 . 2 . . . . 753 PRO HG2 . 11036 1 1363 . 1 1 130 130 PRO HG2 H 1 1.980 0.04 . 2 . . . . 753 PRO HG1 . 11036 1 1364 . 1 1 130 130 PRO CD C 13 50.003 0.4 . 1 . . . . 753 PRO CD . 11036 1 1365 . 1 1 130 130 PRO HD2 H 1 3.623 0.04 . 2 . . . . 753 PRO HD1 . 11036 1 1366 . 1 1 131 131 PRO CA C 13 62.470 0.4 . 1 . . . . 754 PRO CA . 11036 1 1367 . 1 1 131 131 PRO HA H 1 4.651 0.04 . 1 . . . . 754 PRO HA . 11036 1 1368 . 1 1 131 131 PRO CB C 13 32.403 0.4 . 1 . . . . 754 PRO CB . 11036 1 1369 . 1 1 131 131 PRO HB3 H 1 2.151 0.04 . 2 . . . . 754 PRO HB2 . 11036 1 1370 . 1 1 131 131 PRO HB2 H 1 2.390 0.04 . 2 . . . . 754 PRO HB1 . 11036 1 1371 . 1 1 131 131 PRO CG C 13 27.151 0.4 . 1 . . . . 754 PRO CG . 11036 1 1372 . 1 1 131 131 PRO HG3 H 1 1.972 0.04 . 2 . . . . 754 PRO HG2 . 11036 1 1373 . 1 1 131 131 PRO HG2 H 1 2.000 0.04 . 2 . . . . 754 PRO HG1 . 11036 1 1374 . 1 1 131 131 PRO CD C 13 50.194 0.4 . 1 . . . . 754 PRO CD . 11036 1 1375 . 1 1 131 131 PRO HD3 H 1 3.436 0.04 . 2 . . . . 754 PRO HD2 . 11036 1 1376 . 1 1 131 131 PRO HD2 H 1 3.547 0.04 . 2 . . . . 754 PRO HD1 . 11036 1 1377 . 1 1 132 132 TYR N N 15 121.321 0.4 . 1 . . . . 755 TYR N . 11036 1 1378 . 1 1 132 132 TYR H H 1 9.635 0.04 . 1 . . . . 755 TYR HN . 11036 1 1379 . 1 1 132 132 TYR CA C 13 60.382 0.4 . 1 . . . . 755 TYR CA . 11036 1 1380 . 1 1 132 132 TYR HA H 1 4.433 0.04 . 1 . . . . 755 TYR HA . 11036 1 1381 . 1 1 132 132 TYR CB C 13 38.713 0.4 . 1 . . . . 755 TYR CB . 11036 1 1382 . 1 1 132 132 TYR HB3 H 1 2.858 0.04 . 2 . . . . 755 TYR HB2 . 11036 1 1383 . 1 1 132 132 TYR HB2 H 1 2.964 0.04 . 2 . . . . 755 TYR HB1 . 11036 1 1384 . 1 1 132 132 TYR CD1 C 13 131.243 0.4 . 3 . . . . 755 TYR CD1 . 11036 1 1385 . 1 1 132 132 TYR HD1 H 1 7.140 0.04 . 3 . . . . 755 TYR HD1 . 11036 1 1386 . 1 1 132 132 TYR CE1 C 13 117.778 0.4 . 3 . . . . 755 TYR CE1 . 11036 1 1387 . 1 1 132 132 TYR HE1 H 1 7.030 0.04 . 3 . . . . 755 TYR HE1 . 11036 1 1388 . 1 1 133 133 SER N N 15 114.917 0.4 . 1 . . . . 756 SER N . 11036 1 1389 . 1 1 133 133 SER H H 1 9.343 0.04 . 1 . . . . 756 SER HN . 11036 1 1390 . 1 1 133 133 SER CA C 13 58.776 0.4 . 1 . . . . 756 SER CA . 11036 1 1391 . 1 1 133 133 SER HA H 1 4.430 0.04 . 1 . . . . 756 SER HA . 11036 1 1392 . 1 1 133 133 SER CB C 13 64.839 0.4 . 1 . . . . 756 SER CB . 11036 1 1393 . 1 1 133 133 SER HB2 H 1 3.960 0.04 . 2 . . . . 756 SER HB1 . 11036 1 1394 . 1 1 134 134 SER N N 15 112.021 0.4 . 1 . . . . 757 SER N . 11036 1 1395 . 1 1 134 134 SER H H 1 7.500 0.04 . 1 . . . . 757 SER HN . 11036 1 1396 . 1 1 134 134 SER CA C 13 56.158 0.4 . 1 . . . . 757 SER CA . 11036 1 1397 . 1 1 134 134 SER HA H 1 4.950 0.04 . 1 . . . . 757 SER HA . 11036 1 1398 . 1 1 134 134 SER CB C 13 63.906 0.4 . 1 . . . . 757 SER CB . 11036 1 1399 . 1 1 134 134 SER HB3 H 1 3.993 0.04 . 2 . . . . 757 SER HB2 . 11036 1 1400 . 1 1 134 134 SER HB2 H 1 4.258 0.04 . 2 . . . . 757 SER HB1 . 11036 1 1401 . 1 1 135 135 PRO CA C 13 64.159 0.4 . 1 . . . . 758 PRO CA . 11036 1 1402 . 1 1 135 135 PRO HA H 1 4.132 0.04 . 1 . . . . 758 PRO HA . 11036 1 1403 . 1 1 135 135 PRO CB C 13 31.649 0.4 . 1 . . . . 758 PRO CB . 11036 1 1404 . 1 1 135 135 PRO HB3 H 1 1.313 0.04 . 2 . . . . 758 PRO HB2 . 11036 1 1405 . 1 1 135 135 PRO HB2 H 1 1.638 0.04 . 2 . . . . 758 PRO HB1 . 11036 1 1406 . 1 1 135 135 PRO CG C 13 28.485 0.4 . 1 . . . . 758 PRO CG . 11036 1 1407 . 1 1 135 135 PRO HG3 H 1 1.500 0.04 . 2 . . . . 758 PRO HG2 . 11036 1 1408 . 1 1 135 135 PRO HG2 H 1 2.023 0.04 . 2 . . . . 758 PRO HG1 . 11036 1 1409 . 1 1 135 135 PRO CD C 13 50.728 0.4 . 1 . . . . 758 PRO CD . 11036 1 1410 . 1 1 135 135 PRO HD3 H 1 3.668 0.04 . 2 . . . . 758 PRO HD2 . 11036 1 1411 . 1 1 135 135 PRO HD2 H 1 3.928 0.04 . 2 . . . . 758 PRO HD1 . 11036 1 1412 . 1 1 136 136 GLN N N 15 116.382 0.4 . 1 . . . . 759 GLN N . 11036 1 1413 . 1 1 136 136 GLN H H 1 8.067 0.04 . 1 . . . . 759 GLN HN . 11036 1 1414 . 1 1 136 136 GLN CA C 13 59.483 0.4 . 1 . . . . 759 GLN CA . 11036 1 1415 . 1 1 136 136 GLN HA H 1 3.963 0.04 . 1 . . . . 759 GLN HA . 11036 1 1416 . 1 1 136 136 GLN CB C 13 27.414 0.4 . 1 . . . . 759 GLN CB . 11036 1 1417 . 1 1 136 136 GLN HB3 H 1 1.969 0.04 . 2 . . . . 759 GLN HB2 . 11036 1 1418 . 1 1 136 136 GLN HB2 H 1 2.113 0.04 . 2 . . . . 759 GLN HB1 . 11036 1 1419 . 1 1 136 136 GLN CG C 13 34.201 0.4 . 1 . . . . 759 GLN CG . 11036 1 1420 . 1 1 136 136 GLN HG3 H 1 2.276 0.04 . 2 . . . . 759 GLN HG2 . 11036 1 1421 . 1 1 136 136 GLN HG2 H 1 2.476 0.04 . 2 . . . . 759 GLN HG1 . 11036 1 1422 . 1 1 136 136 GLN NE2 N 15 111.513 0.4 . 1 . . . . 759 GLN NE2 . 11036 1 1423 . 1 1 136 136 GLN HE21 H 1 7.363 0.04 . 2 . . . . 759 GLN HE21 . 11036 1 1424 . 1 1 136 136 GLN HE22 H 1 6.783 0.04 . 2 . . . . 759 GLN HE22 . 11036 1 1425 . 1 1 137 137 GLU N N 15 121.764 0.4 . 1 . . . . 760 GLU N . 11036 1 1426 . 1 1 137 137 GLU H H 1 7.826 0.04 . 1 . . . . 760 GLU HN . 11036 1 1427 . 1 1 137 137 GLU CA C 13 59.184 0.4 . 1 . . . . 760 GLU CA . 11036 1 1428 . 1 1 137 137 GLU HA H 1 4.063 0.04 . 1 . . . . 760 GLU HA . 11036 1 1429 . 1 1 137 137 GLU CB C 13 30.403 0.4 . 1 . . . . 760 GLU CB . 11036 1 1430 . 1 1 137 137 GLU HB3 H 1 2.277 0.04 . 2 . . . . 760 GLU HB2 . 11036 1 1431 . 1 1 137 137 GLU HB2 H 1 2.404 0.04 . 2 . . . . 760 GLU HB1 . 11036 1 1432 . 1 1 137 137 GLU CG C 13 36.855 0.4 . 1 . . . . 760 GLU CG . 11036 1 1433 . 1 1 137 137 GLU HG3 H 1 2.503 0.04 . 2 . . . . 760 GLU HG2 . 11036 1 1434 . 1 1 137 137 GLU HG2 H 1 2.625 0.04 . 2 . . . . 760 GLU HG1 . 11036 1 1435 . 1 1 138 138 PHE N N 15 120.582 0.4 . 1 . . . . 761 PHE N . 11036 1 1436 . 1 1 138 138 PHE H H 1 6.900 0.04 . 1 . . . . 761 PHE HN . 11036 1 1437 . 1 1 138 138 PHE CA C 13 60.105 0.4 . 1 . . . . 761 PHE CA . 11036 1 1438 . 1 1 138 138 PHE HA H 1 3.604 0.04 . 1 . . . . 761 PHE HA . 11036 1 1439 . 1 1 138 138 PHE CB C 13 38.271 0.4 . 1 . . . . 761 PHE CB . 11036 1 1440 . 1 1 138 138 PHE HB3 H 1 2.218 0.04 . 2 . . . . 761 PHE HB2 . 11036 1 1441 . 1 1 138 138 PHE HB2 H 1 3.030 0.04 . 2 . . . . 761 PHE HB1 . 11036 1 1442 . 1 1 138 138 PHE CD1 C 13 131.684 0.4 . 3 . . . . 761 PHE CD1 . 11036 1 1443 . 1 1 138 138 PHE HD1 H 1 6.964 0.04 . 3 . . . . 761 PHE HD1 . 11036 1 1444 . 1 1 138 138 PHE CE1 C 13 129.602 0.4 . 3 . . . . 761 PHE CE1 . 11036 1 1445 . 1 1 138 138 PHE HE1 H 1 7.288 0.04 . 3 . . . . 761 PHE HE1 . 11036 1 1446 . 1 1 138 138 PHE CZ C 13 128.265 0.4 . 1 . . . . 761 PHE CZ . 11036 1 1447 . 1 1 138 138 PHE HZ H 1 7.077 0.04 . 1 . . . . 761 PHE HZ . 11036 1 1448 . 1 1 139 139 ALA N N 15 120.917 0.4 . 1 . . . . 762 ALA N . 11036 1 1449 . 1 1 139 139 ALA H H 1 8.399 0.04 . 1 . . . . 762 ALA HN . 11036 1 1450 . 1 1 139 139 ALA CA C 13 54.940 0.4 . 1 . . . . 762 ALA CA . 11036 1 1451 . 1 1 139 139 ALA HA H 1 3.804 0.04 . 1 . . . . 762 ALA HA . 11036 1 1452 . 1 1 139 139 ALA CB C 13 18.001 0.4 . 1 . . . . 762 ALA CB . 11036 1 1453 . 1 1 139 139 ALA HB1 H 1 1.606 0.04 . 1 . . . . 762 ALA HB1 . 11036 1 1454 . 1 1 139 139 ALA HB2 H 1 1.606 0.04 . 1 . . . . 762 ALA HB1 . 11036 1 1455 . 1 1 139 139 ALA HB3 H 1 1.606 0.04 . 1 . . . . 762 ALA HB1 . 11036 1 1456 . 1 1 140 140 GLN N N 15 119.041 0.4 . 1 . . . . 763 GLN N . 11036 1 1457 . 1 1 140 140 GLN H H 1 8.436 0.04 . 1 . . . . 763 GLN HN . 11036 1 1458 . 1 1 140 140 GLN CA C 13 58.474 0.4 . 1 . . . . 763 GLN CA . 11036 1 1459 . 1 1 140 140 GLN HA H 1 4.056 0.04 . 1 . . . . 763 GLN HA . 11036 1 1460 . 1 1 140 140 GLN CB C 13 28.345 0.4 . 1 . . . . 763 GLN CB . 11036 1 1461 . 1 1 140 140 GLN HB3 H 1 2.184 0.04 . 2 . . . . 763 GLN HB2 . 11036 1 1462 . 1 1 140 140 GLN HB2 H 1 2.322 0.04 . 2 . . . . 763 GLN HB1 . 11036 1 1463 . 1 1 140 140 GLN CG C 13 34.481 0.4 . 1 . . . . 763 GLN CG . 11036 1 1464 . 1 1 140 140 GLN HG3 H 1 2.460 0.04 . 2 . . . . 763 GLN HG2 . 11036 1 1465 . 1 1 140 140 GLN HG2 H 1 2.581 0.04 . 2 . . . . 763 GLN HG1 . 11036 1 1466 . 1 1 140 140 GLN NE2 N 15 111.278 0.4 . 1 . . . . 763 GLN NE2 . 11036 1 1467 . 1 1 140 140 GLN HE21 H 1 7.472 0.04 . 2 . . . . 763 GLN HE21 . 11036 1 1468 . 1 1 140 140 GLN HE22 H 1 6.855 0.04 . 2 . . . . 763 GLN HE22 . 11036 1 1469 . 1 1 141 141 ASP N N 15 122.985 0.4 . 1 . . . . 764 ASP N . 11036 1 1470 . 1 1 141 141 ASP H H 1 7.694 0.04 . 1 . . . . 764 ASP HN . 11036 1 1471 . 1 1 141 141 ASP CA C 13 57.087 0.4 . 1 . . . . 764 ASP CA . 11036 1 1472 . 1 1 141 141 ASP HA H 1 4.517 0.04 . 1 . . . . 764 ASP HA . 11036 1 1473 . 1 1 141 141 ASP CB C 13 39.897 0.4 . 1 . . . . 764 ASP CB . 11036 1 1474 . 1 1 141 141 ASP HB3 H 1 2.461 0.04 . 2 . . . . 764 ASP HB2 . 11036 1 1475 . 1 1 141 141 ASP HB2 H 1 3.004 0.04 . 2 . . . . 764 ASP HB1 . 11036 1 1476 . 1 1 142 142 VAL N N 15 119.630 0.4 . 1 . . . . 765 VAL N . 11036 1 1477 . 1 1 142 142 VAL H H 1 7.431 0.04 . 1 . . . . 765 VAL HN . 11036 1 1478 . 1 1 142 142 VAL CA C 13 66.489 0.4 . 1 . . . . 765 VAL CA . 11036 1 1479 . 1 1 142 142 VAL HA H 1 2.740 0.04 . 1 . . . . 765 VAL HA . 11036 1 1480 . 1 1 142 142 VAL CB C 13 30.729 0.4 . 1 . . . . 765 VAL CB . 11036 1 1481 . 1 1 142 142 VAL HB H 1 1.009 0.04 . 1 . . . . 765 VAL HB . 11036 1 1482 . 1 1 142 142 VAL CG2 C 13 20.616 0.4 . 1 . . . . 765 VAL CG2 . 11036 1 1483 . 1 1 142 142 VAL HG21 H 1 -0.795 0.04 . 2 . . . . 765 VAL HG21 . 11036 1 1484 . 1 1 142 142 VAL HG22 H 1 -0.795 0.04 . 2 . . . . 765 VAL HG21 . 11036 1 1485 . 1 1 142 142 VAL HG23 H 1 -0.795 0.04 . 2 . . . . 765 VAL HG21 . 11036 1 1486 . 1 1 142 142 VAL CG1 C 13 21.248 0.4 . 1 . . . . 765 VAL CG1 . 11036 1 1487 . 1 1 142 142 VAL HG11 H 1 -0.078 0.04 . 2 . . . . 765 VAL HG11 . 11036 1 1488 . 1 1 142 142 VAL HG12 H 1 -0.078 0.04 . 2 . . . . 765 VAL HG11 . 11036 1 1489 . 1 1 142 142 VAL HG13 H 1 -0.078 0.04 . 2 . . . . 765 VAL HG11 . 11036 1 1490 . 1 1 143 143 GLY N N 15 104.089 0.4 . 1 . . . . 766 GLY N . 11036 1 1491 . 1 1 143 143 GLY H H 1 8.089 0.04 . 1 . . . . 766 GLY HN . 11036 1 1492 . 1 1 143 143 GLY CA C 13 47.271 0.4 . 1 . . . . 766 GLY CA . 11036 1 1493 . 1 1 143 143 GLY HA3 H 1 3.783 0.04 . 2 . . . . 766 GLY HA2 . 11036 1 1494 . 1 1 143 143 GLY HA2 H 1 3.870 0.04 . 2 . . . . 766 GLY HA1 . 11036 1 1495 . 1 1 144 144 ARG N N 15 123.406 0.4 . 1 . . . . 767 ARG N . 11036 1 1496 . 1 1 144 144 ARG H H 1 8.270 0.04 . 1 . . . . 767 ARG HN . 11036 1 1497 . 1 1 144 144 ARG CA C 13 59.627 0.4 . 1 . . . . 767 ARG CA . 11036 1 1498 . 1 1 144 144 ARG HA H 1 4.026 0.04 . 1 . . . . 767 ARG HA . 11036 1 1499 . 1 1 144 144 ARG CB C 13 30.003 0.4 . 1 . . . . 767 ARG CB . 11036 1 1500 . 1 1 144 144 ARG HB3 H 1 1.928 0.04 . 2 . . . . 767 ARG HB2 . 11036 1 1501 . 1 1 144 144 ARG HB2 H 1 1.990 0.04 . 2 . . . . 767 ARG HB1 . 11036 1 1502 . 1 1 144 144 ARG CG C 13 28.310 0.4 . 1 . . . . 767 ARG CG . 11036 1 1503 . 1 1 144 144 ARG HG3 H 1 1.602 0.04 . 2 . . . . 767 ARG HG2 . 11036 1 1504 . 1 1 144 144 ARG HG2 H 1 1.816 0.04 . 2 . . . . 767 ARG HG1 . 11036 1 1505 . 1 1 144 144 ARG CD C 13 43.671 0.4 . 1 . . . . 767 ARG CD . 11036 1 1506 . 1 1 144 144 ARG HD2 H 1 3.249 0.04 . 2 . . . . 767 ARG HD1 . 11036 1 1507 . 1 1 145 145 MET N N 15 121.310 0.4 . 1 . . . . 768 MET N . 11036 1 1508 . 1 1 145 145 MET H H 1 8.053 0.04 . 1 . . . . 768 MET HN . 11036 1 1509 . 1 1 145 145 MET CA C 13 58.727 0.4 . 1 . . . . 768 MET CA . 11036 1 1510 . 1 1 145 145 MET HA H 1 3.932 0.04 . 1 . . . . 768 MET HA . 11036 1 1511 . 1 1 145 145 MET CB C 13 31.536 0.4 . 1 . . . . 768 MET CB . 11036 1 1512 . 1 1 145 145 MET HB3 H 1 1.601 0.04 . 2 . . . . 768 MET HB2 . 11036 1 1513 . 1 1 145 145 MET HB2 H 1 2.342 0.04 . 2 . . . . 768 MET HB1 . 11036 1 1514 . 1 1 145 145 MET CG C 13 30.454 0.4 . 1 . . . . 768 MET CG . 11036 1 1515 . 1 1 145 145 MET HG3 H 1 1.910 0.04 . 2 . . . . 768 MET HG2 . 11036 1 1516 . 1 1 145 145 MET HG2 H 1 2.360 0.04 . 2 . . . . 768 MET HG1 . 11036 1 1517 . 1 1 145 145 MET CE C 13 17.051 0.4 . 1 . . . . 768 MET CE . 11036 1 1518 . 1 1 145 145 MET HE1 H 1 1.309 0.04 . 1 . . . . 768 MET HE1 . 11036 1 1519 . 1 1 145 145 MET HE2 H 1 1.309 0.04 . 1 . . . . 768 MET HE1 . 11036 1 1520 . 1 1 145 145 MET HE3 H 1 1.309 0.04 . 1 . . . . 768 MET HE1 . 11036 1 1521 . 1 1 146 146 PHE N N 15 117.125 0.4 . 1 . . . . 769 PHE N . 11036 1 1522 . 1 1 146 146 PHE H H 1 8.005 0.04 . 1 . . . . 769 PHE HN . 11036 1 1523 . 1 1 146 146 PHE CA C 13 59.441 0.4 . 1 . . . . 769 PHE CA . 11036 1 1524 . 1 1 146 146 PHE HA H 1 4.582 0.04 . 1 . . . . 769 PHE HA . 11036 1 1525 . 1 1 146 146 PHE CB C 13 37.558 0.4 . 1 . . . . 769 PHE CB . 11036 1 1526 . 1 1 146 146 PHE HB3 H 1 3.208 0.04 . 2 . . . . 769 PHE HB2 . 11036 1 1527 . 1 1 146 146 PHE HB2 H 1 3.278 0.04 . 2 . . . . 769 PHE HB1 . 11036 1 1528 . 1 1 146 146 PHE CD1 C 13 129.514 0.4 . 3 . . . . 769 PHE CD1 . 11036 1 1529 . 1 1 146 146 PHE HD1 H 1 7.130 0.04 . 3 . . . . 769 PHE HD1 . 11036 1 1530 . 1 1 146 146 PHE CE1 C 13 130.326 0.4 . 3 . . . . 769 PHE CE1 . 11036 1 1531 . 1 1 146 146 PHE HE1 H 1 6.950 0.04 . 3 . . . . 769 PHE HE1 . 11036 1 1532 . 1 1 146 146 PHE CZ C 13 127.564 0.4 . 1 . . . . 769 PHE CZ . 11036 1 1533 . 1 1 146 146 PHE HZ H 1 6.786 0.04 . 1 . . . . 769 PHE HZ . 11036 1 1534 . 1 1 147 147 LYS N N 15 119.226 0.4 . 1 . . . . 770 LYS N . 11036 1 1535 . 1 1 147 147 LYS H H 1 8.078 0.04 . 1 . . . . 770 LYS HN . 11036 1 1536 . 1 1 147 147 LYS CA C 13 59.479 0.4 . 1 . . . . 770 LYS CA . 11036 1 1537 . 1 1 147 147 LYS HA H 1 4.153 0.04 . 1 . . . . 770 LYS HA . 11036 1 1538 . 1 1 147 147 LYS CB C 13 32.336 0.4 . 1 . . . . 770 LYS CB . 11036 1 1539 . 1 1 147 147 LYS HB2 H 1 2.037 0.04 . 2 . . . . 770 LYS HB1 . 11036 1 1540 . 1 1 147 147 LYS CG C 13 25.526 0.4 . 1 . . . . 770 LYS CG . 11036 1 1541 . 1 1 147 147 LYS HG3 H 1 1.536 0.04 . 2 . . . . 770 LYS HG2 . 11036 1 1542 . 1 1 147 147 LYS HG2 H 1 1.708 0.04 . 2 . . . . 770 LYS HG1 . 11036 1 1543 . 1 1 147 147 LYS CD C 13 29.048 0.4 . 1 . . . . 770 LYS CD . 11036 1 1544 . 1 1 147 147 LYS HD2 H 1 1.735 0.04 . 2 . . . . 770 LYS HD1 . 11036 1 1545 . 1 1 147 147 LYS CE C 13 41.960 0.4 . 1 . . . . 770 LYS CE . 11036 1 1546 . 1 1 147 147 LYS HE2 H 1 3.013 0.04 . 2 . . . . 770 LYS HE1 . 11036 1 1547 . 1 1 148 148 GLN N N 15 118.870 0.4 . 1 . . . . 771 GLN N . 11036 1 1548 . 1 1 148 148 GLN H H 1 8.338 0.04 . 1 . . . . 771 GLN HN . 11036 1 1549 . 1 1 148 148 GLN CA C 13 58.440 0.4 . 1 . . . . 771 GLN CA . 11036 1 1550 . 1 1 148 148 GLN HA H 1 4.140 0.04 . 1 . . . . 771 GLN HA . 11036 1 1551 . 1 1 148 148 GLN CB C 13 28.382 0.4 . 1 . . . . 771 GLN CB . 11036 1 1552 . 1 1 148 148 GLN HB3 H 1 2.132 0.04 . 2 . . . . 771 GLN HB2 . 11036 1 1553 . 1 1 148 148 GLN HB2 H 1 2.382 0.04 . 2 . . . . 771 GLN HB1 . 11036 1 1554 . 1 1 148 148 GLN CG C 13 34.101 0.4 . 1 . . . . 771 GLN CG . 11036 1 1555 . 1 1 148 148 GLN HG3 H 1 2.406 0.04 . 2 . . . . 771 GLN HG2 . 11036 1 1556 . 1 1 148 148 GLN HG2 H 1 2.677 0.04 . 2 . . . . 771 GLN HG1 . 11036 1 1557 . 1 1 148 148 GLN NE2 N 15 109.214 0.4 . 1 . . . . 771 GLN NE2 . 11036 1 1558 . 1 1 148 148 GLN HE21 H 1 7.152 0.04 . 2 . . . . 771 GLN HE21 . 11036 1 1559 . 1 1 148 148 GLN HE22 H 1 6.994 0.04 . 2 . . . . 771 GLN HE22 . 11036 1 1560 . 1 1 149 149 PHE N N 15 120.162 0.4 . 1 . . . . 772 PHE N . 11036 1 1561 . 1 1 149 149 PHE H H 1 8.411 0.04 . 1 . . . . 772 PHE HN . 11036 1 1562 . 1 1 149 149 PHE CA C 13 60.460 0.4 . 1 . . . . 772 PHE CA . 11036 1 1563 . 1 1 149 149 PHE HA H 1 4.433 0.04 . 1 . . . . 772 PHE HA . 11036 1 1564 . 1 1 149 149 PHE CB C 13 39.428 0.4 . 1 . . . . 772 PHE CB . 11036 1 1565 . 1 1 149 149 PHE HB3 H 1 3.281 0.04 . 2 . . . . 772 PHE HB2 . 11036 1 1566 . 1 1 149 149 PHE HB2 H 1 3.309 0.04 . 2 . . . . 772 PHE HB1 . 11036 1 1567 . 1 1 149 149 PHE CD1 C 13 131.027 0.4 . 3 . . . . 772 PHE CD1 . 11036 1 1568 . 1 1 149 149 PHE HD1 H 1 7.271 0.04 . 3 . . . . 772 PHE HD1 . 11036 1 1569 . 1 1 149 149 PHE CE1 C 13 130.819 0.4 . 3 . . . . 772 PHE CE1 . 11036 1 1570 . 1 1 149 149 PHE HE1 H 1 6.950 0.04 . 3 . . . . 772 PHE HE1 . 11036 1 1571 . 1 1 149 149 PHE CZ C 13 130.244 0.4 . 1 . . . . 772 PHE CZ . 11036 1 1572 . 1 1 149 149 PHE HZ H 1 6.940 0.04 . 1 . . . . 772 PHE HZ . 11036 1 1573 . 1 1 150 150 ASN N N 15 117.836 0.4 . 1 . . . . 773 ASN N . 11036 1 1574 . 1 1 150 150 ASN H H 1 8.279 0.04 . 1 . . . . 773 ASN HN . 11036 1 1575 . 1 1 150 150 ASN HA H 1 4.375 0.04 . 1 . . . . 773 ASN HA . 11036 1 1576 . 1 1 150 150 ASN CB C 13 38.977 0.4 . 1 . . . . 773 ASN CB . 11036 1 1577 . 1 1 150 150 ASN HB3 H 1 2.877 0.04 . 2 . . . . 773 ASN HB2 . 11036 1 1578 . 1 1 150 150 ASN HB2 H 1 2.993 0.04 . 2 . . . . 773 ASN HB1 . 11036 1 1579 . 1 1 150 150 ASN ND2 N 15 111.924 0.4 . 1 . . . . 773 ASN ND2 . 11036 1 1580 . 1 1 150 150 ASN HD21 H 1 7.611 0.04 . 2 . . . . 773 ASN HD21 . 11036 1 1581 . 1 1 150 150 ASN HD22 H 1 6.844 0.04 . 2 . . . . 773 ASN HD22 . 11036 1 1582 . 1 1 151 151 LYS N N 15 118.045 0.4 . 1 . . . . 774 LYS N . 11036 1 1583 . 1 1 151 151 LYS H H 1 7.648 0.04 . 1 . . . . 774 LYS HN . 11036 1 1584 . 1 1 151 151 LYS CA C 13 57.563 0.4 . 1 . . . . 774 LYS CA . 11036 1 1585 . 1 1 151 151 LYS HA H 1 4.225 0.04 . 1 . . . . 774 LYS HA . 11036 1 1586 . 1 1 151 151 LYS CB C 13 32.333 0.4 . 1 . . . . 774 LYS CB . 11036 1 1587 . 1 1 151 151 LYS HB3 H 1 1.935 0.04 . 2 . . . . 774 LYS HB2 . 11036 1 1588 . 1 1 151 151 LYS HB2 H 1 2.013 0.04 . 2 . . . . 774 LYS HB1 . 11036 1 1589 . 1 1 151 151 LYS CG C 13 24.785 0.4 . 1 . . . . 774 LYS CG . 11036 1 1590 . 1 1 151 151 LYS HG2 H 1 1.545 0.04 . 2 . . . . 774 LYS HG1 . 11036 1 1591 . 1 1 151 151 LYS CD C 13 28.776 0.4 . 1 . . . . 774 LYS CD . 11036 1 1592 . 1 1 151 151 LYS HD2 H 1 1.734 0.04 . 2 . . . . 774 LYS HD1 . 11036 1 1593 . 1 1 151 151 LYS CE C 13 41.989 0.4 . 1 . . . . 774 LYS CE . 11036 1 1594 . 1 1 151 151 LYS HE2 H 1 3.018 0.04 . 2 . . . . 774 LYS HE1 . 11036 1 1595 . 1 1 152 152 LEU N N 15 119.031 0.4 . 1 . . . . 775 LEU N . 11036 1 1596 . 1 1 152 152 LEU H H 1 7.825 0.04 . 1 . . . . 775 LEU HN . 11036 1 1597 . 1 1 152 152 LEU CA C 13 55.990 0.4 . 1 . . . . 775 LEU CA . 11036 1 1598 . 1 1 152 152 LEU HA H 1 4.270 0.04 . 1 . . . . 775 LEU HA . 11036 1 1599 . 1 1 152 152 LEU CB C 13 42.487 0.4 . 1 . . . . 775 LEU CB . 11036 1 1600 . 1 1 152 152 LEU HB3 H 1 1.610 0.04 . 2 . . . . 775 LEU HB2 . 11036 1 1601 . 1 1 152 152 LEU HB2 H 1 1.788 0.04 . 2 . . . . 775 LEU HB1 . 11036 1 1602 . 1 1 152 152 LEU CG C 13 27.050 0.4 . 1 . . . . 775 LEU CG . 11036 1 1603 . 1 1 152 152 LEU HG H 1 1.650 0.04 . 1 . . . . 775 LEU HG . 11036 1 1604 . 1 1 152 152 LEU CD1 C 13 25.261 0.4 . 1 . . . . 775 LEU CD1 . 11036 1 1605 . 1 1 152 152 LEU HD11 H 1 0.945 0.04 . 2 . . . . 775 LEU HD11 . 11036 1 1606 . 1 1 152 152 LEU HD12 H 1 0.945 0.04 . 2 . . . . 775 LEU HD11 . 11036 1 1607 . 1 1 152 152 LEU HD13 H 1 0.945 0.04 . 2 . . . . 775 LEU HD11 . 11036 1 1608 . 1 1 152 152 LEU CD2 C 13 23.357 0.4 . 1 . . . . 775 LEU CD2 . 11036 1 1609 . 1 1 152 152 LEU HD21 H 1 0.903 0.04 . 2 . . . . 775 LEU HD21 . 11036 1 1610 . 1 1 152 152 LEU HD22 H 1 0.903 0.04 . 2 . . . . 775 LEU HD21 . 11036 1 1611 . 1 1 152 152 LEU HD23 H 1 0.903 0.04 . 2 . . . . 775 LEU HD21 . 11036 1 1612 . 1 1 153 153 THR N N 15 110.107 0.4 . 1 . . . . 776 THR N . 11036 1 1613 . 1 1 153 153 THR H H 1 7.525 0.04 . 1 . . . . 776 THR HN . 11036 1 1614 . 1 1 153 153 THR CA C 13 61.535 0.4 . 1 . . . . 776 THR CA . 11036 1 1615 . 1 1 153 153 THR HA H 1 4.332 0.04 . 1 . . . . 776 THR HA . 11036 1 1616 . 1 1 153 153 THR CB C 13 69.570 0.4 . 1 . . . . 776 THR CB . 11036 1 1617 . 1 1 153 153 THR HB H 1 4.217 0.04 . 1 . . . . 776 THR HB . 11036 1 1618 . 1 1 153 153 THR CG2 C 13 21.209 0.4 . 1 . . . . 776 THR CG2 . 11036 1 1619 . 1 1 153 153 THR HG21 H 1 0.983 0.04 . 1 . . . . 776 THR HG21 . 11036 1 1620 . 1 1 153 153 THR HG22 H 1 0.983 0.04 . 1 . . . . 776 THR HG21 . 11036 1 1621 . 1 1 153 153 THR HG23 H 1 0.983 0.04 . 1 . . . . 776 THR HG21 . 11036 1 1622 . 1 1 154 154 GLU N N 15 122.427 0.4 . 1 . . . . 777 GLU N . 11036 1 1623 . 1 1 154 154 GLU H H 1 8.027 0.04 . 1 . . . . 777 GLU HN . 11036 1 1624 . 1 1 154 154 GLU CA C 13 57.720 0.4 . 1 . . . . 777 GLU CA . 11036 1 1625 . 1 1 154 154 GLU HA H 1 4.216 0.04 . 1 . . . . 777 GLU HA . 11036 1 1626 . 1 1 154 154 GLU CB C 13 29.977 0.4 . 1 . . . . 777 GLU CB . 11036 1 1627 . 1 1 154 154 GLU HB3 H 1 2.013 0.04 . 2 . . . . 777 GLU HB2 . 11036 1 1628 . 1 1 154 154 GLU HB2 H 1 2.105 0.04 . 2 . . . . 777 GLU HB1 . 11036 1 1629 . 1 1 154 154 GLU CG C 13 36.135 0.4 . 1 . . . . 777 GLU CG . 11036 1 1630 . 1 1 154 154 GLU HG2 H 1 2.296 0.04 . 2 . . . . 777 GLU HG1 . 11036 1 1631 . 1 1 155 155 ASP N N 15 119.283 0.4 . 1 . . . . 778 ASP N . 11036 1 1632 . 1 1 155 155 ASP H H 1 8.372 0.04 . 1 . . . . 778 ASP HN . 11036 1 1633 . 1 1 155 155 ASP CA C 13 54.709 0.4 . 1 . . . . 778 ASP CA . 11036 1 1634 . 1 1 155 155 ASP HA H 1 4.602 0.04 . 1 . . . . 778 ASP HA . 11036 1 1635 . 1 1 155 155 ASP CB C 13 40.600 0.4 . 1 . . . . 778 ASP CB . 11036 1 1636 . 1 1 155 155 ASP HB3 H 1 2.707 0.04 . 2 . . . . 778 ASP HB2 . 11036 1 1637 . 1 1 155 155 ASP HB2 H 1 2.784 0.04 . 2 . . . . 778 ASP HB1 . 11036 1 1638 . 1 1 156 156 LYS N N 15 120.684 0.4 . 1 . . . . 779 LYS N . 11036 1 1639 . 1 1 156 156 LYS H H 1 8.068 0.04 . 1 . . . . 779 LYS HN . 11036 1 1640 . 1 1 156 156 LYS CA C 13 56.388 0.4 . 1 . . . . 779 LYS CA . 11036 1 1641 . 1 1 156 156 LYS HA H 1 4.333 0.04 . 1 . . . . 779 LYS HA . 11036 1 1642 . 1 1 156 156 LYS CB C 13 32.814 0.4 . 1 . . . . 779 LYS CB . 11036 1 1643 . 1 1 156 156 LYS HB3 H 1 1.824 0.04 . 2 . . . . 779 LYS HB2 . 11036 1 1644 . 1 1 156 156 LYS HB2 H 1 1.935 0.04 . 2 . . . . 779 LYS HB1 . 11036 1 1645 . 1 1 156 156 LYS CG C 13 24.735 0.4 . 1 . . . . 779 LYS CG . 11036 1 1646 . 1 1 156 156 LYS HG2 H 1 1.449 0.04 . 2 . . . . 779 LYS HG1 . 11036 1 1647 . 1 1 156 156 LYS CD C 13 28.793 0.4 . 1 . . . . 779 LYS CD . 11036 1 1648 . 1 1 156 156 LYS HD2 H 1 1.700 0.04 . 2 . . . . 779 LYS HD1 . 11036 1 1649 . 1 1 156 156 LYS CE C 13 41.952 0.4 . 1 . . . . 779 LYS CE . 11036 1 1650 . 1 1 156 156 LYS HE2 H 1 3.025 0.04 . 2 . . . . 779 LYS HE1 . 11036 1 1651 . 1 1 157 157 ALA N N 15 123.182 0.4 . 1 . . . . 780 ALA N . 11036 1 1652 . 1 1 157 157 ALA H H 1 8.197 0.04 . 1 . . . . 780 ALA HN . 11036 1 1653 . 1 1 157 157 ALA CA C 13 52.591 0.4 . 1 . . . . 780 ALA CA . 11036 1 1654 . 1 1 157 157 ALA HA H 1 4.337 0.04 . 1 . . . . 780 ALA HA . 11036 1 1655 . 1 1 157 157 ALA CB C 13 19.186 0.4 . 1 . . . . 780 ALA CB . 11036 1 1656 . 1 1 157 157 ALA HB1 H 1 1.410 0.04 . 1 . . . . 780 ALA HB1 . 11036 1 1657 . 1 1 157 157 ALA HB2 H 1 1.410 0.04 . 1 . . . . 780 ALA HB1 . 11036 1 1658 . 1 1 157 157 ALA HB3 H 1 1.410 0.04 . 1 . . . . 780 ALA HB1 . 11036 1 1659 . 1 1 158 158 ASP N N 15 118.794 0.4 . 1 . . . . 781 ASP N . 11036 1 1660 . 1 1 158 158 ASP H H 1 8.222 0.04 . 1 . . . . 781 ASP HN . 11036 1 1661 . 1 1 158 158 ASP CA C 13 54.003 0.4 . 1 . . . . 781 ASP CA . 11036 1 1662 . 1 1 158 158 ASP HA H 1 4.673 0.04 . 1 . . . . 781 ASP HA . 11036 1 1663 . 1 1 158 158 ASP CB C 13 41.075 0.4 . 1 . . . . 781 ASP CB . 11036 1 1664 . 1 1 158 158 ASP HB3 H 1 2.734 0.04 . 2 . . . . 781 ASP HB2 . 11036 1 1665 . 1 1 158 158 ASP HB2 H 1 2.787 0.04 . 2 . . . . 781 ASP HB1 . 11036 1 1666 . 1 1 159 159 VAL N N 15 120.713 0.4 . 1 . . . . 782 VAL N . 11036 1 1667 . 1 1 159 159 VAL H H 1 8.039 0.04 . 1 . . . . 782 VAL HN . 11036 1 1668 . 1 1 159 159 VAL CA C 13 63.898 0.4 . 1 . . . . 782 VAL CA . 11036 1 1669 . 1 1 159 159 VAL HA H 1 4.028 0.04 . 1 . . . . 782 VAL HA . 11036 1 1670 . 1 1 159 159 VAL CB C 13 32.181 0.4 . 1 . . . . 782 VAL CB . 11036 1 1671 . 1 1 159 159 VAL HB H 1 2.205 0.04 . 1 . . . . 782 VAL HB . 11036 1 1672 . 1 1 159 159 VAL CG2 C 13 20.900 0.4 . 1 . . . . 782 VAL CG2 . 11036 1 1673 . 1 1 159 159 VAL HG21 H 1 1.010 0.04 . 2 . . . . 782 VAL HG21 . 11036 1 1674 . 1 1 159 159 VAL HG22 H 1 1.010 0.04 . 2 . . . . 782 VAL HG21 . 11036 1 1675 . 1 1 159 159 VAL HG23 H 1 1.010 0.04 . 2 . . . . 782 VAL HG21 . 11036 1 1676 . 1 1 159 159 VAL CG1 C 13 21.119 0.4 . 1 . . . . 782 VAL CG1 . 11036 1 1677 . 1 1 159 159 VAL HG11 H 1 1.003 0.04 . 2 . . . . 782 VAL HG11 . 11036 1 1678 . 1 1 159 159 VAL HG12 H 1 1.003 0.04 . 2 . . . . 782 VAL HG11 . 11036 1 1679 . 1 1 159 159 VAL HG13 H 1 1.003 0.04 . 2 . . . . 782 VAL HG11 . 11036 1 1680 . 1 1 160 160 GLN N N 15 120.756 0.4 . 1 . . . . 783 GLN N . 11036 1 1681 . 1 1 160 160 GLN H H 1 8.370 0.04 . 1 . . . . 783 GLN HN . 11036 1 1682 . 1 1 160 160 GLN CA C 13 57.563 0.4 . 1 . . . . 783 GLN CA . 11036 1 1683 . 1 1 160 160 GLN HA H 1 4.219 0.04 . 1 . . . . 783 GLN HA . 11036 1 1684 . 1 1 160 160 GLN CB C 13 28.410 0.4 . 1 . . . . 783 GLN CB . 11036 1 1685 . 1 1 160 160 GLN HB2 H 1 2.149 0.04 . 2 . . . . 783 GLN HB1 . 11036 1 1686 . 1 1 160 160 GLN CG C 13 33.995 0.4 . 1 . . . . 783 GLN CG . 11036 1 1687 . 1 1 160 160 GLN HG2 H 1 2.467 0.04 . 2 . . . . 783 GLN HG1 . 11036 1 1688 . 1 1 160 160 GLN NE2 N 15 112.214 0.4 . 1 . . . . 783 GLN NE2 . 11036 1 1689 . 1 1 160 160 GLN HE21 H 1 7.551 0.04 . 2 . . . . 783 GLN HE21 . 11036 1 1690 . 1 1 160 160 GLN HE22 H 1 6.826 0.04 . 2 . . . . 783 GLN HE22 . 11036 1 1691 . 1 1 161 161 SER N N 15 116.111 0.4 . 1 . . . . 784 SER N . 11036 1 1692 . 1 1 161 161 SER H H 1 8.190 0.04 . 1 . . . . 784 SER HN . 11036 1 1693 . 1 1 161 161 SER CA C 13 60.089 0.4 . 1 . . . . 784 SER CA . 11036 1 1694 . 1 1 161 161 SER HA H 1 4.361 0.04 . 1 . . . . 784 SER HA . 11036 1 1695 . 1 1 161 161 SER CB C 13 62.955 0.4 . 1 . . . . 784 SER CB . 11036 1 1696 . 1 1 161 161 SER HB3 H 1 3.958 0.04 . 2 . . . . 784 SER HB2 . 11036 1 1697 . 1 1 161 161 SER HB2 H 1 4.027 0.04 . 2 . . . . 784 SER HB1 . 11036 1 1698 . 1 1 162 162 ILE N N 15 122.105 0.4 . 1 . . . . 785 ILE N . 11036 1 1699 . 1 1 162 162 ILE H H 1 8.014 0.04 . 1 . . . . 785 ILE HN . 11036 1 1700 . 1 1 162 162 ILE CA C 13 62.963 0.4 . 1 . . . . 785 ILE CA . 11036 1 1701 . 1 1 162 162 ILE HA H 1 3.986 0.04 . 1 . . . . 785 ILE HA . 11036 1 1702 . 1 1 162 162 ILE CB C 13 37.568 0.4 . 1 . . . . 785 ILE CB . 11036 1 1703 . 1 1 162 162 ILE HB H 1 2.055 0.04 . 1 . . . . 785 ILE HB . 11036 1 1704 . 1 1 162 162 ILE CG1 C 13 28.282 0.4 . 1 . . . . 785 ILE CG1 . 11036 1 1705 . 1 1 162 162 ILE HG13 H 1 1.371 0.04 . 1 . . . . 785 ILE HG12 . 11036 1 1706 . 1 1 162 162 ILE HG12 H 1 1.553 0.04 . 1 . . . . 785 ILE HG11 . 11036 1 1707 . 1 1 162 162 ILE CD1 C 13 13.056 0.4 . 1 . . . . 785 ILE CD1 . 11036 1 1708 . 1 1 162 162 ILE HD11 H 1 0.886 0.04 . 1 . . . . 785 ILE HD11 . 11036 1 1709 . 1 1 162 162 ILE HD12 H 1 0.886 0.04 . 1 . . . . 785 ILE HD11 . 11036 1 1710 . 1 1 162 162 ILE HD13 H 1 0.886 0.04 . 1 . . . . 785 ILE HD11 . 11036 1 1711 . 1 1 162 162 ILE CG2 C 13 17.825 0.4 . 1 . . . . 785 ILE CG2 . 11036 1 1712 . 1 1 162 162 ILE HG21 H 1 0.994 0.04 . 1 . . . . 785 ILE HG21 . 11036 1 1713 . 1 1 162 162 ILE HG22 H 1 0.994 0.04 . 1 . . . . 785 ILE HG21 . 11036 1 1714 . 1 1 162 162 ILE HG23 H 1 0.994 0.04 . 1 . . . . 785 ILE HG21 . 11036 1 1715 . 1 1 163 163 ILE N N 15 122.150 0.4 . 1 . . . . 786 ILE N . 11036 1 1716 . 1 1 163 163 ILE H H 1 7.913 0.04 . 1 . . . . 786 ILE HN . 11036 1 1717 . 1 1 163 163 ILE CA C 13 64.074 0.4 . 1 . . . . 786 ILE CA . 11036 1 1718 . 1 1 163 163 ILE HA H 1 3.947 0.04 . 1 . . . . 786 ILE HA . 11036 1 1719 . 1 1 163 163 ILE CB C 13 37.561 0.4 . 1 . . . . 786 ILE CB . 11036 1 1720 . 1 1 163 163 ILE HB H 1 1.908 0.04 . 1 . . . . 786 ILE HB . 11036 1 1721 . 1 1 163 163 ILE CG1 C 13 28.621 0.4 . 1 . . . . 786 ILE CG1 . 11036 1 1722 . 1 1 163 163 ILE HG13 H 1 1.272 0.04 . 1 . . . . 786 ILE HG12 . 11036 1 1723 . 1 1 163 163 ILE HG12 H 1 1.629 0.04 . 1 . . . . 786 ILE HG11 . 11036 1 1724 . 1 1 163 163 ILE CD1 C 13 12.789 0.4 . 1 . . . . 786 ILE CD1 . 11036 1 1725 . 1 1 163 163 ILE HD11 H 1 0.894 0.04 . 1 . . . . 786 ILE HD11 . 11036 1 1726 . 1 1 163 163 ILE HD12 H 1 0.894 0.04 . 1 . . . . 786 ILE HD11 . 11036 1 1727 . 1 1 163 163 ILE HD13 H 1 0.894 0.04 . 1 . . . . 786 ILE HD11 . 11036 1 1728 . 1 1 163 163 ILE CG2 C 13 17.091 0.4 . 1 . . . . 786 ILE CG2 . 11036 1 1729 . 1 1 163 163 ILE HG21 H 1 0.950 0.04 . 1 . . . . 786 ILE HG21 . 11036 1 1730 . 1 1 163 163 ILE HG22 H 1 0.950 0.04 . 1 . . . . 786 ILE HG21 . 11036 1 1731 . 1 1 163 163 ILE HG23 H 1 0.950 0.04 . 1 . . . . 786 ILE HG21 . 11036 1 1732 . 1 1 164 164 GLY N N 15 107.177 0.4 . 1 . . . . 787 GLY N . 11036 1 1733 . 1 1 164 164 GLY H H 1 8.057 0.04 . 1 . . . . 787 GLY HN . 11036 1 1734 . 1 1 164 164 GLY CA C 13 46.938 0.4 . 1 . . . . 787 GLY CA . 11036 1 1735 . 1 1 164 164 GLY HA3 H 1 3.907 0.04 . 2 . . . . 787 GLY HA2 . 11036 1 1736 . 1 1 164 164 GLY HA2 H 1 4.007 0.04 . 2 . . . . 787 GLY HA1 . 11036 1 1737 . 1 1 165 165 LEU N N 15 123.590 0.4 . 1 . . . . 788 LEU N . 11036 1 1738 . 1 1 165 165 LEU H H 1 7.676 0.04 . 1 . . . . 788 LEU HN . 11036 1 1739 . 1 1 165 165 LEU CA C 13 57.738 0.4 . 1 . . . . 788 LEU CA . 11036 1 1740 . 1 1 165 165 LEU HA H 1 4.052 0.04 . 1 . . . . 788 LEU HA . 11036 1 1741 . 1 1 165 165 LEU CB C 13 40.833 0.4 . 1 . . . . 788 LEU CB . 11036 1 1742 . 1 1 165 165 LEU HB2 H 1 1.533 0.04 . 2 . . . . 788 LEU HB1 . 11036 1 1743 . 1 1 165 165 LEU CG C 13 26.470 0.4 . 1 . . . . 788 LEU CG . 11036 1 1744 . 1 1 165 165 LEU HG H 1 1.805 0.04 . 1 . . . . 788 LEU HG . 11036 1 1745 . 1 1 165 165 LEU CD1 C 13 25.579 0.4 . 1 . . . . 788 LEU CD1 . 11036 1 1746 . 1 1 165 165 LEU HD11 H 1 0.864 0.04 . 2 . . . . 788 LEU HD11 . 11036 1 1747 . 1 1 165 165 LEU HD12 H 1 0.864 0.04 . 2 . . . . 788 LEU HD11 . 11036 1 1748 . 1 1 165 165 LEU HD13 H 1 0.864 0.04 . 2 . . . . 788 LEU HD11 . 11036 1 1749 . 1 1 165 165 LEU CD2 C 13 23.651 0.4 . 1 . . . . 788 LEU CD2 . 11036 1 1750 . 1 1 165 165 LEU HD21 H 1 0.804 0.04 . 2 . . . . 788 LEU HD21 . 11036 1 1751 . 1 1 165 165 LEU HD22 H 1 0.804 0.04 . 2 . . . . 788 LEU HD21 . 11036 1 1752 . 1 1 165 165 LEU HD23 H 1 0.804 0.04 . 2 . . . . 788 LEU HD21 . 11036 1 1753 . 1 1 166 166 GLN N N 15 119.114 0.4 . 1 . . . . 789 GLN N . 11036 1 1754 . 1 1 166 166 GLN H H 1 7.956 0.04 . 1 . . . . 789 GLN HN . 11036 1 1755 . 1 1 166 166 GLN CA C 13 59.445 0.4 . 1 . . . . 789 GLN CA . 11036 1 1756 . 1 1 166 166 GLN HA H 1 3.844 0.04 . 1 . . . . 789 GLN HA . 11036 1 1757 . 1 1 166 166 GLN CB C 13 27.826 0.4 . 1 . . . . 789 GLN CB . 11036 1 1758 . 1 1 166 166 GLN HB3 H 1 2.106 0.04 . 2 . . . . 789 GLN HB2 . 11036 1 1759 . 1 1 166 166 GLN HB2 H 1 2.197 0.04 . 2 . . . . 789 GLN HB1 . 11036 1 1760 . 1 1 166 166 GLN CG C 13 33.990 0.4 . 1 . . . . 789 GLN CG . 11036 1 1761 . 1 1 166 166 GLN HG2 H 1 2.277 0.04 . 2 . . . . 789 GLN HG1 . 11036 1 1762 . 1 1 166 166 GLN NE2 N 15 110.017 0.4 . 1 . . . . 789 GLN NE2 . 11036 1 1763 . 1 1 166 166 GLN HE21 H 1 7.598 0.04 . 2 . . . . 789 GLN HE21 . 11036 1 1764 . 1 1 166 166 GLN HE22 H 1 6.724 0.04 . 2 . . . . 789 GLN HE22 . 11036 1 1765 . 1 1 167 167 ARG N N 15 118.851 0.4 . 1 . . . . 790 ARG N . 11036 1 1766 . 1 1 167 167 ARG H H 1 8.387 0.04 . 1 . . . . 790 ARG HN . 11036 1 1767 . 1 1 167 167 ARG CA C 13 58.942 0.4 . 1 . . . . 790 ARG CA . 11036 1 1768 . 1 1 167 167 ARG HA H 1 4.191 0.04 . 1 . . . . 790 ARG HA . 11036 1 1769 . 1 1 167 167 ARG CB C 13 29.829 0.4 . 1 . . . . 790 ARG CB . 11036 1 1770 . 1 1 167 167 ARG HB2 H 1 1.998 0.04 . 2 . . . . 790 ARG HB1 . 11036 1 1771 . 1 1 167 167 ARG CG C 13 27.374 0.4 . 1 . . . . 790 ARG CG . 11036 1 1772 . 1 1 167 167 ARG HG3 H 1 1.765 0.04 . 2 . . . . 790 ARG HG2 . 11036 1 1773 . 1 1 167 167 ARG HG2 H 1 1.821 0.04 . 2 . . . . 790 ARG HG1 . 11036 1 1774 . 1 1 167 167 ARG CD C 13 42.962 0.4 . 1 . . . . 790 ARG CD . 11036 1 1775 . 1 1 167 167 ARG HD2 H 1 3.254 0.04 . 2 . . . . 790 ARG HD1 . 11036 1 1776 . 1 1 168 168 PHE N N 15 122.408 0.4 . 1 . . . . 791 PHE N . 11036 1 1777 . 1 1 168 168 PHE H H 1 8.127 0.04 . 1 . . . . 791 PHE HN . 11036 1 1778 . 1 1 168 168 PHE CA C 13 61.976 0.4 . 1 . . . . 791 PHE CA . 11036 1 1779 . 1 1 168 168 PHE HA H 1 4.164 0.04 . 1 . . . . 791 PHE HA . 11036 1 1780 . 1 1 168 168 PHE CB C 13 38.894 0.4 . 1 . . . . 791 PHE CB . 11036 1 1781 . 1 1 168 168 PHE HB2 H 1 3.226 0.04 . 2 . . . . 791 PHE HB1 . 11036 1 1782 . 1 1 168 168 PHE CD1 C 13 130.635 0.4 . 3 . . . . 791 PHE CD1 . 11036 1 1783 . 1 1 168 168 PHE HD1 H 1 6.962 0.04 . 3 . . . . 791 PHE HD1 . 11036 1 1784 . 1 1 168 168 PHE CE1 C 13 130.651 0.4 . 3 . . . . 791 PHE CE1 . 11036 1 1785 . 1 1 168 168 PHE HE1 H 1 7.143 0.04 . 3 . . . . 791 PHE HE1 . 11036 1 1786 . 1 1 168 168 PHE CZ C 13 128.678 0.4 . 1 . . . . 791 PHE CZ . 11036 1 1787 . 1 1 168 168 PHE HZ H 1 6.907 0.04 . 1 . . . . 791 PHE HZ . 11036 1 1788 . 1 1 169 169 PHE N N 15 119.223 0.4 . 1 . . . . 792 PHE N . 11036 1 1789 . 1 1 169 169 PHE H H 1 8.500 0.04 . 1 . . . . 792 PHE HN . 11036 1 1790 . 1 1 169 169 PHE CA C 13 61.093 0.4 . 1 . . . . 792 PHE CA . 11036 1 1791 . 1 1 169 169 PHE HA H 1 4.053 0.04 . 1 . . . . 792 PHE HA . 11036 1 1792 . 1 1 169 169 PHE CB C 13 39.182 0.4 . 1 . . . . 792 PHE CB . 11036 1 1793 . 1 1 169 169 PHE HB2 H 1 3.471 0.04 . 2 . . . . 792 PHE HB1 . 11036 1 1794 . 1 1 169 169 PHE CD1 C 13 130.873 0.4 . 3 . . . . 792 PHE CD1 . 11036 1 1795 . 1 1 169 169 PHE HD1 H 1 7.261 0.04 . 3 . . . . 792 PHE HD1 . 11036 1 1796 . 1 1 169 169 PHE CE1 C 13 130.685 0.4 . 3 . . . . 792 PHE CE1 . 11036 1 1797 . 1 1 169 169 PHE HE1 H 1 6.957 0.04 . 3 . . . . 792 PHE HE1 . 11036 1 1798 . 1 1 169 169 PHE CZ C 13 129.208 0.4 . 1 . . . . 792 PHE CZ . 11036 1 1799 . 1 1 169 169 PHE HZ H 1 6.965 0.04 . 1 . . . . 792 PHE HZ . 11036 1 1800 . 1 1 170 170 GLU N N 15 119.089 0.4 . 1 . . . . 793 GLU N . 11036 1 1801 . 1 1 170 170 GLU H H 1 8.718 0.04 . 1 . . . . 793 GLU HN . 11036 1 1802 . 1 1 170 170 GLU CA C 13 59.843 0.4 . 1 . . . . 793 GLU CA . 11036 1 1803 . 1 1 170 170 GLU HA H 1 3.483 0.04 . 1 . . . . 793 GLU HA . 11036 1 1804 . 1 1 170 170 GLU CB C 13 29.372 0.4 . 1 . . . . 793 GLU CB . 11036 1 1805 . 1 1 170 170 GLU HB3 H 1 2.073 0.04 . 2 . . . . 793 GLU HB2 . 11036 1 1806 . 1 1 170 170 GLU HB2 H 1 2.206 0.04 . 2 . . . . 793 GLU HB1 . 11036 1 1807 . 1 1 170 170 GLU CG C 13 36.586 0.4 . 1 . . . . 793 GLU CG . 11036 1 1808 . 1 1 170 170 GLU HG3 H 1 2.247 0.04 . 2 . . . . 793 GLU HG2 . 11036 1 1809 . 1 1 170 170 GLU HG2 H 1 2.582 0.04 . 2 . . . . 793 GLU HG1 . 11036 1 1810 . 1 1 171 171 THR N N 15 115.081 0.4 . 1 . . . . 794 THR N . 11036 1 1811 . 1 1 171 171 THR H H 1 8.205 0.04 . 1 . . . . 794 THR HN . 11036 1 1812 . 1 1 171 171 THR CA C 13 66.661 0.4 . 1 . . . . 794 THR CA . 11036 1 1813 . 1 1 171 171 THR HA H 1 3.935 0.04 . 1 . . . . 794 THR HA . 11036 1 1814 . 1 1 171 171 THR CB C 13 68.604 0.4 . 1 . . . . 794 THR CB . 11036 1 1815 . 1 1 171 171 THR HB H 1 4.161 0.04 . 1 . . . . 794 THR HB . 11036 1 1816 . 1 1 171 171 THR CG2 C 13 21.527 0.4 . 1 . . . . 794 THR CG2 . 11036 1 1817 . 1 1 171 171 THR HG21 H 1 1.185 0.04 . 1 . . . . 794 THR HG21 . 11036 1 1818 . 1 1 171 171 THR HG22 H 1 1.185 0.04 . 1 . . . . 794 THR HG21 . 11036 1 1819 . 1 1 171 171 THR HG23 H 1 1.185 0.04 . 1 . . . . 794 THR HG21 . 11036 1 1820 . 1 1 172 172 ARG N N 15 120.165 0.4 . 1 . . . . 795 ARG N . 11036 1 1821 . 1 1 172 172 ARG H H 1 7.776 0.04 . 1 . . . . 795 ARG HN . 11036 1 1822 . 1 1 172 172 ARG CA C 13 57.535 0.4 . 1 . . . . 795 ARG CA . 11036 1 1823 . 1 1 172 172 ARG HA H 1 4.030 0.04 . 1 . . . . 795 ARG HA . 11036 1 1824 . 1 1 172 172 ARG CB C 13 29.886 0.4 . 1 . . . . 795 ARG CB . 11036 1 1825 . 1 1 172 172 ARG HB2 H 1 1.907 0.04 . 2 . . . . 795 ARG HB1 . 11036 1 1826 . 1 1 172 172 ARG HG2 H 1 0.906 0.04 . 2 . . . . 795 ARG HG1 . 11036 1 1827 . 1 1 172 172 ARG HD2 H 1 3.212 0.04 . 2 . . . . 795 ARG HD1 . 11036 1 1828 . 1 1 173 173 MET N N 15 120.347 0.4 . 1 . . . . 796 MET N . 11036 1 1829 . 1 1 173 173 MET H H 1 8.503 0.04 . 1 . . . . 796 MET HN . 11036 1 1830 . 1 1 173 173 MET CA C 13 57.453 0.4 . 1 . . . . 796 MET CA . 11036 1 1831 . 1 1 173 173 MET HA H 1 4.383 0.04 . 1 . . . . 796 MET HA . 11036 1 1832 . 1 1 173 173 MET CB C 13 30.469 0.4 . 1 . . . . 796 MET CB . 11036 1 1833 . 1 1 173 173 MET HB3 H 1 1.715 0.04 . 2 . . . . 796 MET HB2 . 11036 1 1834 . 1 1 173 173 MET HB2 H 1 1.857 0.04 . 2 . . . . 796 MET HB1 . 11036 1 1835 . 1 1 173 173 MET HG2 H 1 1.637 0.04 . 2 . . . . 796 MET HG1 . 11036 1 1836 . 1 1 173 173 MET CE C 13 17.805 0.4 . 1 . . . . 796 MET CE . 11036 1 1837 . 1 1 173 173 MET HE1 H 1 1.608 0.04 . 1 . . . . 796 MET HE1 . 11036 1 1838 . 1 1 173 173 MET HE2 H 1 1.608 0.04 . 1 . . . . 796 MET HE1 . 11036 1 1839 . 1 1 173 173 MET HE3 H 1 1.608 0.04 . 1 . . . . 796 MET HE1 . 11036 1 1840 . 1 1 174 174 ASN N N 15 119.200 0.4 . 1 . . . . 797 ASN N . 11036 1 1841 . 1 1 174 174 ASN H H 1 8.351 0.04 . 1 . . . . 797 ASN HN . 11036 1 1842 . 1 1 174 174 ASN CA C 13 55.851 0.4 . 1 . . . . 797 ASN CA . 11036 1 1843 . 1 1 174 174 ASN HA H 1 4.510 0.04 . 1 . . . . 797 ASN HA . 11036 1 1844 . 1 1 174 174 ASN CB C 13 38.213 0.4 . 1 . . . . 797 ASN CB . 11036 1 1845 . 1 1 174 174 ASN HB3 H 1 2.813 0.04 . 2 . . . . 797 ASN HB2 . 11036 1 1846 . 1 1 174 174 ASN HB2 H 1 2.893 0.04 . 2 . . . . 797 ASN HB1 . 11036 1 1847 . 1 1 174 174 ASN ND2 N 15 111.077 0.4 . 1 . . . . 797 ASN ND2 . 11036 1 1848 . 1 1 174 174 ASN HD21 H 1 7.442 0.04 . 2 . . . . 797 ASN HD21 . 11036 1 1849 . 1 1 174 174 ASN HD22 H 1 6.907 0.04 . 2 . . . . 797 ASN HD22 . 11036 1 1850 . 1 1 175 175 GLU N N 15 119.589 0.4 . 1 . . . . 798 GLU N . 11036 1 1851 . 1 1 175 175 GLU H H 1 7.896 0.04 . 1 . . . . 798 GLU HN . 11036 1 1852 . 1 1 175 175 GLU CA C 13 59.033 0.4 . 1 . . . . 798 GLU CA . 11036 1 1853 . 1 1 175 175 GLU HA H 1 3.967 0.04 . 1 . . . . 798 GLU HA . 11036 1 1854 . 1 1 175 175 GLU CB C 13 29.296 0.4 . 1 . . . . 798 GLU CB . 11036 1 1855 . 1 1 175 175 GLU HB3 H 1 2.050 0.04 . 2 . . . . 798 GLU HB2 . 11036 1 1856 . 1 1 175 175 GLU HB2 H 1 2.133 0.04 . 2 . . . . 798 GLU HB1 . 11036 1 1857 . 1 1 175 175 GLU CG C 13 36.136 0.4 . 1 . . . . 798 GLU CG . 11036 1 1858 . 1 1 175 175 GLU HG3 H 1 2.229 0.04 . 2 . . . . 798 GLU HG2 . 11036 1 1859 . 1 1 175 175 GLU HG2 H 1 2.464 0.04 . 2 . . . . 798 GLU HG1 . 11036 1 1860 . 1 1 176 176 ALA N N 15 116.937 0.4 . 1 . . . . 799 ALA N . 11036 1 1861 . 1 1 176 176 ALA H H 1 8.030 0.04 . 1 . . . . 799 ALA HN . 11036 1 1862 . 1 1 176 176 ALA CA C 13 54.179 0.4 . 1 . . . . 799 ALA CA . 11036 1 1863 . 1 1 176 176 ALA HA H 1 4.085 0.04 . 1 . . . . 799 ALA HA . 11036 1 1864 . 1 1 176 176 ALA CB C 13 19.432 0.4 . 1 . . . . 799 ALA CB . 11036 1 1865 . 1 1 176 176 ALA HB1 H 1 1.179 0.04 . 1 . . . . 799 ALA HB1 . 11036 1 1866 . 1 1 176 176 ALA HB2 H 1 1.179 0.04 . 1 . . . . 799 ALA HB1 . 11036 1 1867 . 1 1 176 176 ALA HB3 H 1 1.179 0.04 . 1 . . . . 799 ALA HB1 . 11036 1 1868 . 1 1 177 177 PHE N N 15 112.840 0.4 . 1 . . . . 800 PHE N . 11036 1 1869 . 1 1 177 177 PHE H H 1 8.544 0.04 . 1 . . . . 800 PHE HN . 11036 1 1870 . 1 1 177 177 PHE CA C 13 59.182 0.4 . 1 . . . . 800 PHE CA . 11036 1 1871 . 1 1 177 177 PHE HA H 1 4.515 0.04 . 1 . . . . 800 PHE HA . 11036 1 1872 . 1 1 177 177 PHE CB C 13 39.642 0.4 . 1 . . . . 800 PHE CB . 11036 1 1873 . 1 1 177 177 PHE HB3 H 1 3.086 0.04 . 2 . . . . 800 PHE HB2 . 11036 1 1874 . 1 1 177 177 PHE HB2 H 1 3.292 0.04 . 2 . . . . 800 PHE HB1 . 11036 1 1875 . 1 1 177 177 PHE CD1 C 13 131.906 0.4 . 3 . . . . 800 PHE CD1 . 11036 1 1876 . 1 1 177 177 PHE HD1 H 1 7.622 0.04 . 3 . . . . 800 PHE HD1 . 11036 1 1877 . 1 1 177 177 PHE CE1 C 13 129.996 0.4 . 3 . . . . 800 PHE CE1 . 11036 1 1878 . 1 1 177 177 PHE HE1 H 1 7.331 0.04 . 3 . . . . 800 PHE HE1 . 11036 1 1879 . 1 1 177 177 PHE CZ C 13 130.276 0.4 . 1 . . . . 800 PHE CZ . 11036 1 1880 . 1 1 177 177 PHE HZ H 1 7.131 0.04 . 1 . . . . 800 PHE HZ . 11036 1 1881 . 1 1 178 178 GLY N N 15 110.339 0.4 . 1 . . . . 801 GLY N . 11036 1 1882 . 1 1 178 178 GLY H H 1 7.974 0.04 . 1 . . . . 801 GLY HN . 11036 1 1883 . 1 1 178 178 GLY CA C 13 45.607 0.4 . 1 . . . . 801 GLY CA . 11036 1 1884 . 1 1 178 178 GLY HA3 H 1 3.988 0.04 . 2 . . . . 801 GLY HA2 . 11036 1 1885 . 1 1 178 178 GLY HA2 H 1 4.031 0.04 . 2 . . . . 801 GLY HA1 . 11036 1 1886 . 1 1 179 179 ASP N N 15 119.627 0.4 . 1 . . . . 802 ASP N . 11036 1 1887 . 1 1 179 179 ASP H H 1 8.185 0.04 . 1 . . . . 802 ASP HN . 11036 1 1888 . 1 1 179 179 ASP CA C 13 53.949 0.4 . 1 . . . . 802 ASP CA . 11036 1 1889 . 1 1 179 179 ASP HA H 1 4.679 0.04 . 1 . . . . 802 ASP HA . 11036 1 1890 . 1 1 179 179 ASP CB C 13 41.070 0.4 . 1 . . . . 802 ASP CB . 11036 1 1891 . 1 1 179 179 ASP HB2 H 1 2.753 0.04 . 2 . . . . 802 ASP HB1 . 11036 1 1892 . 1 1 180 180 THR N N 15 113.769 0.4 . 1 . . . . 803 THR N . 11036 1 1893 . 1 1 180 180 THR H H 1 8.037 0.04 . 1 . . . . 803 THR HN . 11036 1 1894 . 1 1 180 180 THR CA C 13 61.885 0.4 . 1 . . . . 803 THR CA . 11036 1 1895 . 1 1 180 180 THR HA H 1 4.331 0.04 . 1 . . . . 803 THR HA . 11036 1 1896 . 1 1 180 180 THR CB C 13 70.002 0.4 . 1 . . . . 803 THR CB . 11036 1 1897 . 1 1 180 180 THR HB H 1 4.177 0.04 . 1 . . . . 803 THR HB . 11036 1 1898 . 1 1 180 180 THR CG2 C 13 21.295 0.4 . 1 . . . . 803 THR CG2 . 11036 1 1899 . 1 1 180 180 THR HG21 H 1 1.082 0.04 . 1 . . . . 803 THR HG21 . 11036 1 1900 . 1 1 180 180 THR HG22 H 1 1.082 0.04 . 1 . . . . 803 THR HG21 . 11036 1 1901 . 1 1 180 180 THR HG23 H 1 1.082 0.04 . 1 . . . . 803 THR HG21 . 11036 1 1902 . 1 1 181 181 LYS N N 15 122.277 0.4 . 1 . . . . 804 LYS N . 11036 1 1903 . 1 1 181 181 LYS H H 1 8.198 0.04 . 1 . . . . 804 LYS HN . 11036 1 1904 . 1 1 181 181 LYS CA C 13 56.652 0.4 . 1 . . . . 804 LYS CA . 11036 1 1905 . 1 1 181 181 LYS HA H 1 4.151 0.04 . 1 . . . . 804 LYS HA . 11036 1 1906 . 1 1 181 181 LYS CB C 13 32.377 0.4 . 1 . . . . 804 LYS CB . 11036 1 1907 . 1 1 181 181 LYS HB2 H 1 1.673 0.04 . 2 . . . . 804 LYS HB1 . 11036 1 1908 . 1 1 181 181 LYS CG C 13 24.507 0.4 . 1 . . . . 804 LYS CG . 11036 1 1909 . 1 1 181 181 LYS HG2 H 1 1.246 0.04 . 2 . . . . 804 LYS HG1 . 11036 1 1910 . 1 1 181 181 LYS CD C 13 28.728 0.4 . 1 . . . . 804 LYS CD . 11036 1 1911 . 1 1 181 181 LYS HD2 H 1 1.607 0.04 . 2 . . . . 804 LYS HD1 . 11036 1 1912 . 1 1 181 181 LYS CE C 13 41.819 0.4 . 1 . . . . 804 LYS CE . 11036 1 1913 . 1 1 181 181 LYS HE2 H 1 2.929 0.04 . 2 . . . . 804 LYS HE1 . 11036 1 1914 . 1 1 182 182 PHE N N 15 119.784 0.4 . 1 . . . . 805 PHE N . 11036 1 1915 . 1 1 182 182 PHE H H 1 8.206 0.04 . 1 . . . . 805 PHE HN . 11036 1 1916 . 1 1 182 182 PHE CA C 13 57.256 0.4 . 1 . . . . 805 PHE CA . 11036 1 1917 . 1 1 182 182 PHE HA H 1 4.664 0.04 . 1 . . . . 805 PHE HA . 11036 1 1918 . 1 1 182 182 PHE CB C 13 38.774 0.4 . 1 . . . . 805 PHE CB . 11036 1 1919 . 1 1 182 182 PHE HB3 H 1 2.862 0.04 . 2 . . . . 805 PHE HB2 . 11036 1 1920 . 1 1 182 182 PHE HB2 H 1 2.930 0.04 . 2 . . . . 805 PHE HB1 . 11036 1 1921 . 1 1 182 182 PHE CD1 C 13 131.033 0.4 . 3 . . . . 805 PHE CD1 . 11036 1 1922 . 1 1 182 182 PHE HD1 H 1 7.127 0.04 . 3 . . . . 805 PHE HD1 . 11036 1 1923 . 1 1 182 182 PHE CE1 C 13 129.591 0.4 . 3 . . . . 805 PHE CE1 . 11036 1 1924 . 1 1 182 182 PHE HE1 H 1 6.977 0.04 . 3 . . . . 805 PHE HE1 . 11036 1 1925 . 1 1 182 182 PHE CZ C 13 128.678 0.4 . 1 . . . . 805 PHE CZ . 11036 1 1926 . 1 1 182 182 PHE HZ H 1 7.146 0.04 . 1 . . . . 805 PHE HZ . 11036 1 1927 . 1 1 183 183 SER N N 15 123.742 0.4 . 1 . . . . 806 SER N . 11036 1 1928 . 1 1 183 183 SER H H 1 8.121 0.04 . 1 . . . . 806 SER HN . 11036 1 1929 . 1 1 183 183 SER CA C 13 58.203 0.4 . 1 . . . . 806 SER CA . 11036 1 1930 . 1 1 183 183 SER HA H 1 4.361 0.04 . 1 . . . . 806 SER HA . 11036 1 1931 . 1 1 183 183 SER CB C 13 63.764 0.4 . 1 . . . . 806 SER CB . 11036 1 1932 . 1 1 183 183 SER HB3 H 1 3.793 0.04 . 2 . . . . 806 SER HB2 . 11036 1 1933 . 1 1 183 183 SER HB2 H 1 3.839 0.04 . 2 . . . . 806 SER HB1 . 11036 1 1934 . 1 1 184 184 ALA N N 15 125.704 0.4 . 1 . . . . 807 ALA N . 11036 1 1935 . 1 1 184 184 ALA H H 1 8.286 0.04 . 1 . . . . 807 ALA HN . 11036 1 1936 . 1 1 184 184 ALA CA C 13 52.574 0.4 . 1 . . . . 807 ALA CA . 11036 1 1937 . 1 1 184 184 ALA HA H 1 4.360 0.04 . 1 . . . . 807 ALA HA . 11036 1 1938 . 1 1 184 184 ALA CB C 13 18.947 0.4 . 1 . . . . 807 ALA CB . 11036 1 1939 . 1 1 184 184 ALA HB1 H 1 1.379 0.04 . 1 . . . . 807 ALA HB1 . 11036 1 1940 . 1 1 184 184 ALA HB2 H 1 1.379 0.04 . 1 . . . . 807 ALA HB1 . 11036 1 1941 . 1 1 184 184 ALA HB3 H 1 1.379 0.04 . 1 . . . . 807 ALA HB1 . 11036 1 1942 . 1 1 185 185 VAL N N 15 118.271 0.4 . 1 . . . . 808 VAL N . 11036 1 1943 . 1 1 185 185 VAL H H 1 7.958 0.04 . 1 . . . . 808 VAL HN . 11036 1 1944 . 1 1 185 185 VAL CA C 13 62.216 0.4 . 1 . . . . 808 VAL CA . 11036 1 1945 . 1 1 185 185 VAL HA H 1 4.151 0.04 . 1 . . . . 808 VAL HA . 11036 1 1946 . 1 1 185 185 VAL CB C 13 32.178 0.4 . 1 . . . . 808 VAL CB . 11036 1 1947 . 1 1 185 185 VAL HB H 1 2.095 0.04 . 1 . . . . 808 VAL HB . 11036 1 1948 . 1 1 185 185 VAL CG1 C 13 20.589 0.4 . 2 . . . . 808 VAL CG1 . 11036 1 1949 . 1 1 185 185 VAL HG11 H 1 0.948 0.04 . 2 . . . . 808 VAL HG11 . 11036 1 1950 . 1 1 185 185 VAL HG12 H 1 0.948 0.04 . 2 . . . . 808 VAL HG11 . 11036 1 1951 . 1 1 185 185 VAL HG13 H 1 0.948 0.04 . 2 . . . . 808 VAL HG11 . 11036 1 1952 . 1 1 186 186 LEU N N 15 125.280 0.4 . 1 . . . . 809 LEU N . 11036 1 1953 . 1 1 186 186 LEU H H 1 8.195 0.04 . 1 . . . . 809 LEU HN . 11036 1 1954 . 1 1 186 186 LEU CA C 13 54.474 0.4 . 1 . . . . 809 LEU CA . 11036 1 1955 . 1 1 186 186 LEU HA H 1 4.430 0.04 . 1 . . . . 809 LEU HA . 11036 1 1956 . 1 1 186 186 LEU CB C 13 42.303 0.4 . 1 . . . . 809 LEU CB . 11036 1 1957 . 1 1 186 186 LEU HB2 H 1 1.653 0.04 . 2 . . . . 809 LEU HB1 . 11036 1 1958 . 1 1 186 186 LEU CG C 13 27.229 0.4 . 1 . . . . 809 LEU CG . 11036 1 1959 . 1 1 186 186 LEU HG H 1 1.594 0.04 . 1 . . . . 809 LEU HG . 11036 1 1960 . 1 1 186 186 LEU CD1 C 13 25.219 0.4 . 1 . . . . 809 LEU CD1 . 11036 1 1961 . 1 1 186 186 LEU HD11 H 1 0.947 0.04 . 2 . . . . 809 LEU HD11 . 11036 1 1962 . 1 1 186 186 LEU HD12 H 1 0.947 0.04 . 2 . . . . 809 LEU HD11 . 11036 1 1963 . 1 1 186 186 LEU HD13 H 1 0.947 0.04 . 2 . . . . 809 LEU HD11 . 11036 1 1964 . 1 1 186 186 LEU CD2 C 13 23.588 0.4 . 1 . . . . 809 LEU CD2 . 11036 1 1965 . 1 1 186 186 LEU HD21 H 1 0.900 0.04 . 2 . . . . 809 LEU HD21 . 11036 1 1966 . 1 1 186 186 LEU HD22 H 1 0.900 0.04 . 2 . . . . 809 LEU HD21 . 11036 1 1967 . 1 1 186 186 LEU HD23 H 1 0.900 0.04 . 2 . . . . 809 LEU HD21 . 11036 1 1968 . 1 1 187 187 VAL N N 15 120.937 0.4 . 1 . . . . 810 VAL N . 11036 1 1969 . 1 1 187 187 VAL H H 1 7.985 0.04 . 1 . . . . 810 VAL HN . 11036 1 1970 . 1 1 187 187 VAL CA C 13 62.004 0.4 . 1 . . . . 810 VAL CA . 11036 1 1971 . 1 1 187 187 VAL HA H 1 4.155 0.04 . 1 . . . . 810 VAL HA . 11036 1 1972 . 1 1 187 187 VAL CB C 13 32.602 0.4 . 1 . . . . 810 VAL CB . 11036 1 1973 . 1 1 187 187 VAL HB H 1 2.084 0.04 . 1 . . . . 810 VAL HB . 11036 1 1974 . 1 1 187 187 VAL CG2 C 13 18.312 0.4 . 2 . . . . 810 VAL CG2 . 11036 1 1975 . 1 1 187 187 VAL CG1 C 13 20.883 0.4 . 1 . . . . 810 VAL CG1 . 11036 1 1976 . 1 1 187 187 VAL HG11 H 1 0.954 0.04 . 2 . . . . 810 VAL HG11 . 11036 1 1977 . 1 1 187 187 VAL HG12 H 1 0.954 0.04 . 2 . . . . 810 VAL HG11 . 11036 1 1978 . 1 1 187 187 VAL HG13 H 1 0.954 0.04 . 2 . . . . 810 VAL HG11 . 11036 1 1979 . 1 1 188 188 GLU N N 15 126.353 0.4 . 1 . . . . 811 GLU N . 11036 1 1980 . 1 1 188 188 GLU H H 1 8.292 0.04 . 1 . . . . 811 GLU HN . 11036 1 1981 . 1 1 188 188 GLU CA C 13 54.162 0.4 . 1 . . . . 811 GLU CA . 11036 1 1982 . 1 1 188 188 GLU HA H 1 4.609 0.04 . 1 . . . . 811 GLU HA . 11036 1 1983 . 1 1 188 188 GLU CB C 13 29.775 0.4 . 1 . . . . 811 GLU CB . 11036 1 1984 . 1 1 188 188 GLU HB3 H 1 1.909 0.04 . 2 . . . . 811 GLU HB2 . 11036 1 1985 . 1 1 188 188 GLU HB2 H 1 2.079 0.04 . 2 . . . . 811 GLU HB1 . 11036 1 1986 . 1 1 188 188 GLU CG C 13 33.296 0.4 . 1 . . . . 811 GLU CG . 11036 1 1987 . 1 1 188 188 GLU HG2 H 1 2.288 0.04 . 2 . . . . 811 GLU HG1 . 11036 1 1988 . 1 1 189 189 PRO CA C 13 64.791 0.4 . 1 . . . . 812 PRO CA . 11036 1 1989 . 1 1 189 189 PRO HA H 1 4.241 0.04 . 1 . . . . 812 PRO HA . 11036 1 1990 . 1 1 189 189 PRO CB C 13 32.105 0.4 . 1 . . . . 812 PRO CB . 11036 1 1991 . 1 1 189 189 PRO HB3 H 1 1.928 0.04 . 2 . . . . 812 PRO HB2 . 11036 1 1992 . 1 1 189 189 PRO HB2 H 1 2.230 0.04 . 2 . . . . 812 PRO HB1 . 11036 1 1993 . 1 1 189 189 PRO CG C 13 26.943 0.4 . 1 . . . . 812 PRO CG . 11036 1 1994 . 1 1 189 189 PRO HG3 H 1 2.004 0.04 . 2 . . . . 812 PRO HG2 . 11036 1 1995 . 1 1 189 189 PRO HG2 H 1 2.010 0.04 . 2 . . . . 812 PRO HG1 . 11036 1 1996 . 1 1 189 189 PRO CD C 13 50.424 0.4 . 1 . . . . 812 PRO CD . 11036 1 1997 . 1 1 189 189 PRO HD3 H 1 3.689 0.04 . 2 . . . . 812 PRO HD2 . 11036 1 1998 . 1 1 189 189 PRO HD2 H 1 3.771 0.04 . 2 . . . . 812 PRO HD1 . 11036 1 stop_ save_