data_30855 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30855 _Entry.Title ; Structure of the HIV-1 gp41 transmembrane domain and cytoplasmic tail ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-10 _Entry.Accession_date 2021-02-10 _Entry.Last_release_date 2021-03-08 _Entry.Original_release_date 2021-03-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Piai A. . . . 30855 2 Q. Fu Q. . . . 30855 3 A. Sharp A. K. . . 30855 4 B. Bighi B. . . . 30855 5 A. Brown A. M. . . 30855 6 J. Chou J. J. . . 30855 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CT . 30855 'Cytoplasmic tail' . 30855 'MEMBRANE PROTEIN' . 30855 MPER . 30855 'Membrane-proximal external region' . 30855 TMD . 30855 'Transmembrane domain' . 30855 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30855 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 30855 '15N chemical shifts' 147 30855 '1H chemical shifts' 147 30855 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-09-21 2021-02-10 update BMRB 'update entry citation' 30855 1 . . 2021-04-23 2021-02-10 original author 'original release' 30855 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7LOH 'BMRB Entry Tracking System' 30855 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30855 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33882664 _Citation.DOI 10.1021/jacs.1c01762 _Citation.Full_citation . _Citation.Title ; NMR Model of the Entire Membrane-Interacting Region of the HIV-1 Fusion Protein and Its Perturbation of Membrane Morphology ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 143 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 6609 _Citation.Page_last 6615 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Piai A. . . . 30855 1 2 Q. Fu Q. . . . 30855 1 3 A. Sharp A. K. . . 30855 1 4 B. Bighi B. . . . 30855 1 5 A. Brown A. M. . . 30855 1 6 J. Chou J. J. . . 30855 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30855 _Assembly.ID 1 _Assembly.Name 'Transmembrane protein gp41' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30855 1 2 unit_2 1 $entity_1 B B yes . . . . . . 30855 1 3 unit_3 1 $entity_1 C C yes . . . . . . 30855 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30855 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NWLWYIRIFIIIVGSLIGLR IVFAVLSLVNRVRQGYSPLS FQTHLPTPRGPDRPEGIEEE GGERDRDRSIRLVNGSLALI WDDLRSLSLFSYHRLRDLLL IVTRIVELLGRRGWEALKYW WNLLQYWSQELKNSAVSLLN ATAIAVGEGTDRVIEVVQGA SRAIRHIPRRIRQGLERILL ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'C764S, A823G, C837S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20846.182 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Glycoprotein 41' common 30855 1 TM common 30855 1 gp41 common 30855 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 1 677 ASN . 30855 1 2 678 TRP . 30855 1 3 679 LEU . 30855 1 4 680 TRP . 30855 1 5 681 TYR . 30855 1 6 682 ILE . 30855 1 7 683 ARG . 30855 1 8 684 ILE . 30855 1 9 685 PHE . 30855 1 10 686 ILE . 30855 1 11 687 ILE . 30855 1 12 688 ILE . 30855 1 13 689 VAL . 30855 1 14 690 GLY . 30855 1 15 691 SER . 30855 1 16 692 LEU . 30855 1 17 693 ILE . 30855 1 18 694 GLY . 30855 1 19 695 LEU . 30855 1 20 696 ARG . 30855 1 21 697 ILE . 30855 1 22 698 VAL . 30855 1 23 699 PHE . 30855 1 24 700 ALA . 30855 1 25 701 VAL . 30855 1 26 702 LEU . 30855 1 27 703 SER . 30855 1 28 704 LEU . 30855 1 29 705 VAL . 30855 1 30 706 ASN . 30855 1 31 707 ARG . 30855 1 32 708 VAL . 30855 1 33 709 ARG . 30855 1 34 710 GLN . 30855 1 35 711 GLY . 30855 1 36 712 TYR . 30855 1 37 713 SER . 30855 1 38 714 PRO . 30855 1 39 715 LEU . 30855 1 40 716 SER . 30855 1 41 717 PHE . 30855 1 42 718 GLN . 30855 1 43 719 THR . 30855 1 44 720 HIS . 30855 1 45 721 LEU . 30855 1 46 722 PRO . 30855 1 47 723 THR . 30855 1 48 724 PRO . 30855 1 49 725 ARG . 30855 1 50 726 GLY . 30855 1 51 727 PRO . 30855 1 52 728 ASP . 30855 1 53 729 ARG . 30855 1 54 730 PRO . 30855 1 55 731 GLU . 30855 1 56 732 GLY . 30855 1 57 733 ILE . 30855 1 58 734 GLU . 30855 1 59 735 GLU . 30855 1 60 736 GLU . 30855 1 61 737 GLY . 30855 1 62 738 GLY . 30855 1 63 739 GLU . 30855 1 64 740 ARG . 30855 1 65 741 ASP . 30855 1 66 742 ARG . 30855 1 67 743 ASP . 30855 1 68 744 ARG . 30855 1 69 745 SER . 30855 1 70 746 ILE . 30855 1 71 747 ARG . 30855 1 72 748 LEU . 30855 1 73 749 VAL . 30855 1 74 750 ASN . 30855 1 75 751 GLY . 30855 1 76 752 SER . 30855 1 77 753 LEU . 30855 1 78 754 ALA . 30855 1 79 755 LEU . 30855 1 80 756 ILE . 30855 1 81 757 TRP . 30855 1 82 758 ASP . 30855 1 83 759 ASP . 30855 1 84 760 LEU . 30855 1 85 761 ARG . 30855 1 86 762 SER . 30855 1 87 763 LEU . 30855 1 88 764 SER . 30855 1 89 765 LEU . 30855 1 90 766 PHE . 30855 1 91 767 SER . 30855 1 92 768 TYR . 30855 1 93 769 HIS . 30855 1 94 770 ARG . 30855 1 95 771 LEU . 30855 1 96 772 ARG . 30855 1 97 773 ASP . 30855 1 98 774 LEU . 30855 1 99 775 LEU . 30855 1 100 776 LEU . 30855 1 101 777 ILE . 30855 1 102 778 VAL . 30855 1 103 779 THR . 30855 1 104 780 ARG . 30855 1 105 781 ILE . 30855 1 106 782 VAL . 30855 1 107 783 GLU . 30855 1 108 784 LEU . 30855 1 109 785 LEU . 30855 1 110 786 GLY . 30855 1 111 787 ARG . 30855 1 112 788 ARG . 30855 1 113 789 GLY . 30855 1 114 790 TRP . 30855 1 115 791 GLU . 30855 1 116 792 ALA . 30855 1 117 793 LEU . 30855 1 118 794 LYS . 30855 1 119 795 TYR . 30855 1 120 796 TRP . 30855 1 121 797 TRP . 30855 1 122 798 ASN . 30855 1 123 799 LEU . 30855 1 124 800 LEU . 30855 1 125 801 GLN . 30855 1 126 802 TYR . 30855 1 127 803 TRP . 30855 1 128 804 SER . 30855 1 129 805 GLN . 30855 1 130 806 GLU . 30855 1 131 807 LEU . 30855 1 132 808 LYS . 30855 1 133 809 ASN . 30855 1 134 810 SER . 30855 1 135 811 ALA . 30855 1 136 812 VAL . 30855 1 137 813 SER . 30855 1 138 814 LEU . 30855 1 139 815 LEU . 30855 1 140 816 ASN . 30855 1 141 817 ALA . 30855 1 142 818 THR . 30855 1 143 819 ALA . 30855 1 144 820 ILE . 30855 1 145 821 ALA . 30855 1 146 822 VAL . 30855 1 147 823 GLY . 30855 1 148 824 GLU . 30855 1 149 825 GLY . 30855 1 150 826 THR . 30855 1 151 827 ASP . 30855 1 152 828 ARG . 30855 1 153 829 VAL . 30855 1 154 830 ILE . 30855 1 155 831 GLU . 30855 1 156 832 VAL . 30855 1 157 833 VAL . 30855 1 158 834 GLN . 30855 1 159 835 GLY . 30855 1 160 836 ALA . 30855 1 161 837 SER . 30855 1 162 838 ARG . 30855 1 163 839 ALA . 30855 1 164 840 ILE . 30855 1 165 841 ARG . 30855 1 166 842 HIS . 30855 1 167 843 ILE . 30855 1 168 844 PRO . 30855 1 169 845 ARG . 30855 1 170 846 ARG . 30855 1 171 847 ILE . 30855 1 172 848 ARG . 30855 1 173 849 GLN . 30855 1 174 850 GLY . 30855 1 175 851 LEU . 30855 1 176 852 GLU . 30855 1 177 853 ARG . 30855 1 178 854 ILE . 30855 1 179 855 LEU . 30855 1 180 856 LEU . 30855 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 . ASN 1 1 30855 1 . TRP 2 2 30855 1 . LEU 3 3 30855 1 . TRP 4 4 30855 1 . TYR 5 5 30855 1 . ILE 6 6 30855 1 . ARG 7 7 30855 1 . ILE 8 8 30855 1 . PHE 9 9 30855 1 . ILE 10 10 30855 1 . ILE 11 11 30855 1 . ILE 12 12 30855 1 . VAL 13 13 30855 1 . GLY 14 14 30855 1 . SER 15 15 30855 1 . LEU 16 16 30855 1 . ILE 17 17 30855 1 . GLY 18 18 30855 1 . LEU 19 19 30855 1 . ARG 20 20 30855 1 . ILE 21 21 30855 1 . VAL 22 22 30855 1 . PHE 23 23 30855 1 . ALA 24 24 30855 1 . VAL 25 25 30855 1 . LEU 26 26 30855 1 . SER 27 27 30855 1 . LEU 28 28 30855 1 . VAL 29 29 30855 1 . ASN 30 30 30855 1 . ARG 31 31 30855 1 . VAL 32 32 30855 1 . ARG 33 33 30855 1 . GLN 34 34 30855 1 . GLY 35 35 30855 1 . TYR 36 36 30855 1 . SER 37 37 30855 1 . PRO 38 38 30855 1 . LEU 39 39 30855 1 . SER 40 40 30855 1 . PHE 41 41 30855 1 . GLN 42 42 30855 1 . THR 43 43 30855 1 . HIS 44 44 30855 1 . LEU 45 45 30855 1 . PRO 46 46 30855 1 . THR 47 47 30855 1 . PRO 48 48 30855 1 . ARG 49 49 30855 1 . GLY 50 50 30855 1 . PRO 51 51 30855 1 . ASP 52 52 30855 1 . ARG 53 53 30855 1 . PRO 54 54 30855 1 . GLU 55 55 30855 1 . GLY 56 56 30855 1 . ILE 57 57 30855 1 . GLU 58 58 30855 1 . GLU 59 59 30855 1 . GLU 60 60 30855 1 . GLY 61 61 30855 1 . GLY 62 62 30855 1 . GLU 63 63 30855 1 . ARG 64 64 30855 1 . ASP 65 65 30855 1 . ARG 66 66 30855 1 . ASP 67 67 30855 1 . ARG 68 68 30855 1 . SER 69 69 30855 1 . ILE 70 70 30855 1 . ARG 71 71 30855 1 . LEU 72 72 30855 1 . VAL 73 73 30855 1 . ASN 74 74 30855 1 . GLY 75 75 30855 1 . SER 76 76 30855 1 . LEU 77 77 30855 1 . ALA 78 78 30855 1 . LEU 79 79 30855 1 . ILE 80 80 30855 1 . TRP 81 81 30855 1 . ASP 82 82 30855 1 . ASP 83 83 30855 1 . LEU 84 84 30855 1 . ARG 85 85 30855 1 . SER 86 86 30855 1 . LEU 87 87 30855 1 . SER 88 88 30855 1 . LEU 89 89 30855 1 . PHE 90 90 30855 1 . SER 91 91 30855 1 . TYR 92 92 30855 1 . HIS 93 93 30855 1 . ARG 94 94 30855 1 . LEU 95 95 30855 1 . ARG 96 96 30855 1 . ASP 97 97 30855 1 . LEU 98 98 30855 1 . LEU 99 99 30855 1 . LEU 100 100 30855 1 . ILE 101 101 30855 1 . VAL 102 102 30855 1 . THR 103 103 30855 1 . ARG 104 104 30855 1 . ILE 105 105 30855 1 . VAL 106 106 30855 1 . GLU 107 107 30855 1 . LEU 108 108 30855 1 . LEU 109 109 30855 1 . GLY 110 110 30855 1 . ARG 111 111 30855 1 . ARG 112 112 30855 1 . GLY 113 113 30855 1 . TRP 114 114 30855 1 . GLU 115 115 30855 1 . ALA 116 116 30855 1 . LEU 117 117 30855 1 . LYS 118 118 30855 1 . TYR 119 119 30855 1 . TRP 120 120 30855 1 . TRP 121 121 30855 1 . ASN 122 122 30855 1 . LEU 123 123 30855 1 . LEU 124 124 30855 1 . GLN 125 125 30855 1 . TYR 126 126 30855 1 . TRP 127 127 30855 1 . SER 128 128 30855 1 . GLN 129 129 30855 1 . GLU 130 130 30855 1 . LEU 131 131 30855 1 . LYS 132 132 30855 1 . ASN 133 133 30855 1 . SER 134 134 30855 1 . ALA 135 135 30855 1 . VAL 136 136 30855 1 . SER 137 137 30855 1 . LEU 138 138 30855 1 . LEU 139 139 30855 1 . ASN 140 140 30855 1 . ALA 141 141 30855 1 . THR 142 142 30855 1 . ALA 143 143 30855 1 . ILE 144 144 30855 1 . ALA 145 145 30855 1 . VAL 146 146 30855 1 . GLY 147 147 30855 1 . GLU 148 148 30855 1 . GLY 149 149 30855 1 . THR 150 150 30855 1 . ASP 151 151 30855 1 . ARG 152 152 30855 1 . VAL 153 153 30855 1 . ILE 154 154 30855 1 . GLU 155 155 30855 1 . VAL 156 156 30855 1 . VAL 157 157 30855 1 . GLN 158 158 30855 1 . GLY 159 159 30855 1 . ALA 160 160 30855 1 . SER 161 161 30855 1 . ARG 162 162 30855 1 . ALA 163 163 30855 1 . ILE 164 164 30855 1 . ARG 165 165 30855 1 . HIS 166 166 30855 1 . ILE 167 167 30855 1 . PRO 168 168 30855 1 . ARG 169 169 30855 1 . ARG 170 170 30855 1 . ILE 171 171 30855 1 . ARG 172 172 30855 1 . GLN 173 173 30855 1 . GLY 174 174 30855 1 . LEU 175 175 30855 1 . GLU 176 176 30855 1 . ARG 177 177 30855 1 . ILE 178 178 30855 1 . LEU 179 179 30855 1 . LEU 180 180 30855 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30855 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11676 organism . HIV-1 HIV-1 . . Viruses . Lentivirus HIV-1 . . . . . . . . . . . env . 30855 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 30855 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . pMM-LR6 . . . . . . 30855 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30855 _Sample.ID 1 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details '1.2 mM [U-100% 13C; U-100% 15N; U-85% 2H] HIV1 gp41 TMD-CT, 40 mM DMPC, 80 mM DHPC, 40 mM MES, 1 % sodium azide, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV1 gp41 TMD-CT' '[U-100% 13C; U-100% 15N; U-85% 2H]' . . 1 $entity_1 . . 1.2 . . mM . . . . 30855 1 2 DMPC 'natural abundance' . . . . . . 40 . . mM . . . . 30855 1 3 DHPC 'natural abundance' . . . . . . 80 . . mM . . . . 30855 1 4 MES 'natural abundance' . . . . . . 40 . . mM . . . . 30855 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 30855 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30855 _Sample.ID 2 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details '1 mM [ILV-100% 13C; U-100% 15N; U-85% 2H] HIV1 gp41 TMD-CT, 40 mM DMPC, 80 mM DHPC, 40 mM MES, 1 % sodium azide, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HIV1 gp41 TMD-CT' '[ILV-100% 13C; U-100% 15N; U-85% 2H]' . . 1 $entity_1 . . 1 . . mM . . . . 30855 2 2 DMPC 'natural abundance' . . . . . . 40 . . mM . . . . 30855 2 3 DHPC 'natural abundance' . . . . . . 80 . . mM . . . . 30855 2 4 MES 'natural abundance' . . . . . . 40 . . mM . . . . 30855 2 5 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 30855 2 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 30855 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 30855 1 pH 6.7 . pH 30855 1 pressure 1 . atm 30855 1 temperature 308 . K 30855 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30855 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30855 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30855 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30855 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30855 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30855 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30855 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30855 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30855 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30855 _Software.ID 4 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30855 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30855 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30855 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30855 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30855 5 'structure calculation' . 30855 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30855 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30855 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 900 . . . 30855 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 30855 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30855 1 2 '3D TROSY HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30855 1 3 '3D TROSY HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30855 1 4 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30855 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30855 1 6 '3D 15N-edited NOESY-TROSY-HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30855 1 7 '3D 13C-edited NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30855 1 8 '3D 15N-edited TROSY-NOESY-TROSY-HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30855 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30855 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30855 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30855 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30855 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30855 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY HSQC' . . . 30855 1 2 '3D TROSY HNCO' . . . 30855 1 3 '3D TROSY HNCA' . . . 30855 1 4 '2D 1H-15N TROSY HSQC' . . . 30855 1 5 '2D 1H-13C HSQC' . . . 30855 1 6 '3D 15N-edited NOESY-TROSY-HSQC' . . . 30855 1 7 '3D 13C-edited NOESY' . . . 30855 1 8 '3D 15N-edited TROSY-NOESY-TROSY-HSQC' . . . 30855 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 TRP C C 13 177.80 0.05 . 1 . . . . A 678 TRP C . 30855 1 2 . 1 . 1 2 2 TRP CA C 13 59.81 0.05 . 1 . . . . A 678 TRP CA . 30855 1 3 . 1 . 1 3 3 LEU H H 1 7.84 0.01 . 1 . . . . A 679 LEU H . 30855 1 4 . 1 . 1 3 3 LEU CA C 13 57.49 0.05 . 1 . . . . A 679 LEU CA . 30855 1 5 . 1 . 1 3 3 LEU N N 15 119.15 0.03 . 1 . . . . A 679 LEU N . 30855 1 6 . 1 . 1 4 4 TRP H H 1 7.89 0.01 . 1 . . . . A 680 TRP H . 30855 1 7 . 1 . 1 4 4 TRP C C 13 178.07 0.05 . 1 . . . . A 680 TRP C . 30855 1 8 . 1 . 1 4 4 TRP CA C 13 60.79 0.05 . 1 . . . . A 680 TRP CA . 30855 1 9 . 1 . 1 4 4 TRP N N 15 120.17 0.03 . 1 . . . . A 680 TRP N . 30855 1 10 . 1 . 1 5 5 TYR H H 1 7.78 0.01 . 1 . . . . A 681 TYR H . 30855 1 11 . 1 . 1 5 5 TYR C C 13 178.21 0.05 . 1 . . . . A 681 TYR C . 30855 1 12 . 1 . 1 5 5 TYR CA C 13 60.62 0.05 . 1 . . . . A 681 TYR CA . 30855 1 13 . 1 . 1 5 5 TYR N N 15 115.49 0.03 . 1 . . . . A 681 TYR N . 30855 1 14 . 1 . 1 6 6 ILE H H 1 8.13 0.01 . 1 . . . . A 682 ILE H . 30855 1 15 . 1 . 1 6 6 ILE C C 13 176.70 0.05 . 1 . . . . A 682 ILE C . 30855 1 16 . 1 . 1 6 6 ILE CA C 13 64.12 0.05 . 1 . . . . A 682 ILE CA . 30855 1 17 . 1 . 1 6 6 ILE N N 15 117.66 0.03 . 1 . . . . A 682 ILE N . 30855 1 18 . 1 . 1 7 7 ARG H H 1 8.15 0.01 . 1 . . . . A 683 ARG H . 30855 1 19 . 1 . 1 7 7 ARG C C 13 177.95 0.05 . 1 . . . . A 683 ARG C . 30855 1 20 . 1 . 1 7 7 ARG CA C 13 60.15 0.05 . 1 . . . . A 683 ARG CA . 30855 1 21 . 1 . 1 7 7 ARG N N 15 119.53 0.03 . 1 . . . . A 683 ARG N . 30855 1 22 . 1 . 1 8 8 ILE H H 1 7.92 0.01 . 1 . . . . A 684 ILE H . 30855 1 23 . 1 . 1 8 8 ILE C C 13 177.41 0.05 . 1 . . . . A 684 ILE C . 30855 1 24 . 1 . 1 8 8 ILE CA C 13 63.61 0.05 . 1 . . . . A 684 ILE CA . 30855 1 25 . 1 . 1 8 8 ILE N N 15 116.67 0.03 . 1 . . . . A 684 ILE N . 30855 1 26 . 1 . 1 9 9 PHE H H 1 8.29 0.01 . 1 . . . . A 685 PHE H . 30855 1 27 . 1 . 1 9 9 PHE C C 13 176.79 0.05 . 1 . . . . A 685 PHE C . 30855 1 28 . 1 . 1 9 9 PHE CA C 13 61.59 0.05 . 1 . . . . A 685 PHE CA . 30855 1 29 . 1 . 1 9 9 PHE N N 15 120.09 0.03 . 1 . . . . A 685 PHE N . 30855 1 30 . 1 . 1 10 10 ILE H H 1 8.41 0.01 . 1 . . . . A 686 ILE H . 30855 1 31 . 1 . 1 10 10 ILE C C 13 176.65 0.05 . 1 . . . . A 686 ILE C . 30855 1 32 . 1 . 1 10 10 ILE CA C 13 64.77 0.05 . 1 . . . . A 686 ILE CA . 30855 1 33 . 1 . 1 10 10 ILE N N 15 117.67 0.03 . 1 . . . . A 686 ILE N . 30855 1 34 . 1 . 1 11 11 ILE H H 1 8.11 0.01 . 1 . . . . A 687 ILE H . 30855 1 35 . 1 . 1 11 11 ILE C C 13 178.97 0.05 . 1 . . . . A 687 ILE C . 30855 1 36 . 1 . 1 11 11 ILE CA C 13 65.33 0.05 . 1 . . . . A 687 ILE CA . 30855 1 37 . 1 . 1 11 11 ILE N N 15 119.59 0.03 . 1 . . . . A 687 ILE N . 30855 1 38 . 1 . 1 12 12 ILE H H 1 8.55 0.01 . 1 . . . . A 688 ILE H . 30855 1 39 . 1 . 1 12 12 ILE C C 13 180.51 0.05 . 1 . . . . A 688 ILE C . 30855 1 40 . 1 . 1 12 12 ILE CA C 13 65.63 0.05 . 1 . . . . A 688 ILE CA . 30855 1 41 . 1 . 1 12 12 ILE N N 15 121.59 0.03 . 1 . . . . A 688 ILE N . 30855 1 42 . 1 . 1 13 13 VAL H H 1 8.43 0.01 . 1 . . . . A 689 VAL H . 30855 1 43 . 1 . 1 13 13 VAL C C 13 178.18 0.05 . 1 . . . . A 689 VAL C . 30855 1 44 . 1 . 1 13 13 VAL CA C 13 66.86 0.05 . 1 . . . . A 689 VAL CA . 30855 1 45 . 1 . 1 13 13 VAL N N 15 118.34 0.03 . 1 . . . . A 689 VAL N . 30855 1 46 . 1 . 1 14 14 GLY H H 1 8.90 0.01 . 1 . . . . A 690 GLY H . 30855 1 47 . 1 . 1 14 14 GLY C C 13 177.29 0.05 . 1 . . . . A 690 GLY C . 30855 1 48 . 1 . 1 14 14 GLY CA C 13 47.08 0.05 . 1 . . . . A 690 GLY CA . 30855 1 49 . 1 . 1 14 14 GLY N N 15 106.08 0.03 . 1 . . . . A 690 GLY N . 30855 1 50 . 1 . 1 15 15 SER H H 1 8.19 0.01 . 1 . . . . A 691 SER H . 30855 1 51 . 1 . 1 15 15 SER C C 13 175.00 0.05 . 1 . . . . A 691 SER C . 30855 1 52 . 1 . 1 15 15 SER CA C 13 62.99 0.05 . 1 . . . . A 691 SER CA . 30855 1 53 . 1 . 1 15 15 SER N N 15 117.58 0.03 . 1 . . . . A 691 SER N . 30855 1 54 . 1 . 1 16 16 LEU H H 1 7.98 0.01 . 1 . . . . A 692 LEU H . 30855 1 55 . 1 . 1 16 16 LEU C C 13 178.93 0.05 . 1 . . . . A 692 LEU C . 30855 1 56 . 1 . 1 16 16 LEU CA C 13 57.86 0.05 . 1 . . . . A 692 LEU CA . 30855 1 57 . 1 . 1 16 16 LEU N N 15 121.51 0.03 . 1 . . . . A 692 LEU N . 30855 1 58 . 1 . 1 17 17 ILE H H 1 8.18 0.01 . 1 . . . . A 693 ILE H . 30855 1 59 . 1 . 1 17 17 ILE C C 13 178.11 0.05 . 1 . . . . A 693 ILE C . 30855 1 60 . 1 . 1 17 17 ILE CA C 13 64.90 0.05 . 1 . . . . A 693 ILE CA . 30855 1 61 . 1 . 1 17 17 ILE N N 15 118.25 0.03 . 1 . . . . A 693 ILE N . 30855 1 62 . 1 . 1 18 18 GLY H H 1 8.60 0.01 . 1 . . . . A 694 GLY H . 30855 1 63 . 1 . 1 18 18 GLY C C 13 175.09 0.05 . 1 . . . . A 694 GLY C . 30855 1 64 . 1 . 1 18 18 GLY CA C 13 47.26 0.05 . 1 . . . . A 694 GLY CA . 30855 1 65 . 1 . 1 18 18 GLY N N 15 106.47 0.03 . 1 . . . . A 694 GLY N . 30855 1 66 . 1 . 1 19 19 LEU H H 1 8.55 0.01 . 1 . . . . A 695 LEU H . 30855 1 67 . 1 . 1 19 19 LEU C C 13 178.22 0.05 . 1 . . . . A 695 LEU C . 30855 1 68 . 1 . 1 19 19 LEU CA C 13 57.58 0.05 . 1 . . . . A 695 LEU CA . 30855 1 69 . 1 . 1 19 19 LEU N N 15 120.76 0.03 . 1 . . . . A 695 LEU N . 30855 1 70 . 1 . 1 20 20 ARG H H 1 8.07 0.01 . 1 . . . . A 696 ARG H . 30855 1 71 . 1 . 1 20 20 ARG C C 13 179.54 0.05 . 1 . . . . A 696 ARG C . 30855 1 72 . 1 . 1 20 20 ARG CA C 13 58.68 0.05 . 1 . . . . A 696 ARG CA . 30855 1 73 . 1 . 1 20 20 ARG N N 15 118.59 0.03 . 1 . . . . A 696 ARG N . 30855 1 74 . 1 . 1 21 21 ILE H H 1 8.23 0.01 . 1 . . . . A 697 ILE H . 30855 1 75 . 1 . 1 21 21 ILE C C 13 177.48 0.05 . 1 . . . . A 697 ILE C . 30855 1 76 . 1 . 1 21 21 ILE CA C 13 65.14 0.05 . 1 . . . . A 697 ILE CA . 30855 1 77 . 1 . 1 21 21 ILE N N 15 119.67 0.03 . 1 . . . . A 697 ILE N . 30855 1 78 . 1 . 1 22 22 VAL H H 1 8.34 0.01 . 1 . . . . A 698 VAL H . 30855 1 79 . 1 . 1 22 22 VAL C C 13 177.83 0.05 . 1 . . . . A 698 VAL C . 30855 1 80 . 1 . 1 22 22 VAL CA C 13 67.12 0.05 . 1 . . . . A 698 VAL CA . 30855 1 81 . 1 . 1 22 22 VAL N N 15 119.51 0.03 . 1 . . . . A 698 VAL N . 30855 1 82 . 1 . 1 23 23 PHE H H 1 8.59 0.01 . 1 . . . . A 699 PHE H . 30855 1 83 . 1 . 1 23 23 PHE C C 13 178.19 0.05 . 1 . . . . A 699 PHE C . 30855 1 84 . 1 . 1 23 23 PHE CA C 13 61.31 0.05 . 1 . . . . A 699 PHE CA . 30855 1 85 . 1 . 1 23 23 PHE N N 15 117.43 0.03 . 1 . . . . A 699 PHE N . 30855 1 86 . 1 . 1 24 24 ALA H H 1 8.23 0.01 . 1 . . . . A 700 ALA H . 30855 1 87 . 1 . 1 24 24 ALA C C 13 180.52 0.05 . 1 . . . . A 700 ALA C . 30855 1 88 . 1 . 1 24 24 ALA CA C 13 54.89 0.05 . 1 . . . . A 700 ALA CA . 30855 1 89 . 1 . 1 24 24 ALA N N 15 122.93 0.03 . 1 . . . . A 700 ALA N . 30855 1 90 . 1 . 1 25 25 VAL H H 1 8.42 0.01 . 1 . . . . A 701 VAL H . 30855 1 91 . 1 . 1 25 25 VAL C C 13 177.78 0.05 . 1 . . . . A 701 VAL C . 30855 1 92 . 1 . 1 25 25 VAL CA C 13 66.49 0.05 . 1 . . . . A 701 VAL CA . 30855 1 93 . 1 . 1 25 25 VAL N N 15 118.17 0.03 . 1 . . . . A 701 VAL N . 30855 1 94 . 1 . 1 26 26 LEU H H 1 8.47 0.01 . 1 . . . . A 702 LEU H . 30855 1 95 . 1 . 1 26 26 LEU C C 13 179.00 0.05 . 1 . . . . A 702 LEU C . 30855 1 96 . 1 . 1 26 26 LEU CA C 13 57.79 0.05 . 1 . . . . A 702 LEU CA . 30855 1 97 . 1 . 1 26 26 LEU N N 15 118.84 0.03 . 1 . . . . A 702 LEU N . 30855 1 98 . 1 . 1 27 27 SER H H 1 8.18 0.01 . 1 . . . . A 703 SER H . 30855 1 99 . 1 . 1 27 27 SER C C 13 176.89 0.05 . 1 . . . . A 703 SER C . 30855 1 100 . 1 . 1 27 27 SER CA C 13 61.38 0.05 . 1 . . . . A 703 SER CA . 30855 1 101 . 1 . 1 27 27 SER N N 15 113.83 0.03 . 1 . . . . A 703 SER N . 30855 1 102 . 1 . 1 28 28 LEU H H 1 7.76 0.01 . 1 . . . . A 704 LEU H . 30855 1 103 . 1 . 1 28 28 LEU C C 13 178.51 0.05 . 1 . . . . A 704 LEU C . 30855 1 104 . 1 . 1 28 28 LEU CA C 13 57.79 0.05 . 1 . . . . A 704 LEU CA . 30855 1 105 . 1 . 1 28 28 LEU N N 15 122.43 0.03 . 1 . . . . A 704 LEU N . 30855 1 106 . 1 . 1 29 29 VAL H H 1 8.33 0.01 . 1 . . . . A 705 VAL H . 30855 1 107 . 1 . 1 29 29 VAL C C 13 177.60 0.05 . 1 . . . . A 705 VAL C . 30855 1 108 . 1 . 1 29 29 VAL CA C 13 66.09 0.05 . 1 . . . . A 705 VAL CA . 30855 1 109 . 1 . 1 29 29 VAL N N 15 117.68 0.03 . 1 . . . . A 705 VAL N . 30855 1 110 . 1 . 1 30 30 ASN H H 1 8.18 0.01 . 1 . . . . A 706 ASN H . 30855 1 111 . 1 . 1 30 30 ASN C C 13 177.11 0.05 . 1 . . . . A 706 ASN C . 30855 1 112 . 1 . 1 30 30 ASN CA C 13 55.93 0.05 . 1 . . . . A 706 ASN CA . 30855 1 113 . 1 . 1 30 30 ASN N N 15 116.92 0.03 . 1 . . . . A 706 ASN N . 30855 1 114 . 1 . 1 31 31 ARG H H 1 7.94 0.01 . 1 . . . . A 707 ARG H . 30855 1 115 . 1 . 1 31 31 ARG C C 13 179.05 0.05 . 1 . . . . A 707 ARG C . 30855 1 116 . 1 . 1 31 31 ARG CA C 13 58.47 0.05 . 1 . . . . A 707 ARG CA . 30855 1 117 . 1 . 1 31 31 ARG N N 15 118.59 0.03 . 1 . . . . A 707 ARG N . 30855 1 118 . 1 . 1 32 32 VAL H H 1 8.15 0.01 . 1 . . . . A 708 VAL H . 30855 1 119 . 1 . 1 32 32 VAL C C 13 178.30 0.05 . 1 . . . . A 708 VAL C . 30855 1 120 . 1 . 1 32 32 VAL CA C 13 64.74 0.05 . 1 . . . . A 708 VAL CA . 30855 1 121 . 1 . 1 32 32 VAL N N 15 118.75 0.03 . 1 . . . . A 708 VAL N . 30855 1 122 . 1 . 1 33 33 ARG H H 1 8.20 0.01 . 1 . . . . A 709 ARG H . 30855 1 123 . 1 . 1 33 33 ARG C C 13 177.51 0.05 . 1 . . . . A 709 ARG C . 30855 1 124 . 1 . 1 33 33 ARG CA C 13 57.95 0.05 . 1 . . . . A 709 ARG CA . 30855 1 125 . 1 . 1 33 33 ARG N N 15 119.73 0.03 . 1 . . . . A 709 ARG N . 30855 1 126 . 1 . 1 34 34 GLN H H 1 7.85 0.01 . 1 . . . . A 710 GLN H . 30855 1 127 . 1 . 1 34 34 GLN C C 13 176.86 0.05 . 1 . . . . A 710 GLN C . 30855 1 128 . 1 . 1 34 34 GLN CA C 13 56.42 0.05 . 1 . . . . A 710 GLN CA . 30855 1 129 . 1 . 1 34 34 GLN N N 15 116.75 0.03 . 1 . . . . A 710 GLN N . 30855 1 130 . 1 . 1 35 35 GLY H H 1 7.93 0.01 . 1 . . . . A 711 GLY H . 30855 1 131 . 1 . 1 35 35 GLY C C 13 173.88 0.05 . 1 . . . . A 711 GLY C . 30855 1 132 . 1 . 1 35 35 GLY CA C 13 45.03 0.05 . 1 . . . . A 711 GLY CA . 30855 1 133 . 1 . 1 35 35 GLY N N 15 106.81 0.03 . 1 . . . . A 711 GLY N . 30855 1 134 . 1 . 1 36 36 TYR H H 1 7.91 0.01 . 1 . . . . A 712 TYR H . 30855 1 135 . 1 . 1 36 36 TYR C C 13 175.21 0.05 . 1 . . . . A 712 TYR C . 30855 1 136 . 1 . 1 36 36 TYR CA C 13 57.58 0.05 . 1 . . . . A 712 TYR CA . 30855 1 137 . 1 . 1 36 36 TYR N N 15 120.01 0.03 . 1 . . . . A 712 TYR N . 30855 1 138 . 1 . 1 37 37 SER H H 1 8.02 0.01 . 1 . . . . A 713 SER H . 30855 1 139 . 1 . 1 37 37 SER CA C 13 55.50 0.05 . 1 . . . . A 713 SER CA . 30855 1 140 . 1 . 1 37 37 SER N N 15 118.08 0.03 . 1 . . . . A 713 SER N . 30855 1 141 . 1 . 1 38 38 PRO C C 13 176.84 0.05 . 1 . . . . A 714 PRO C . 30855 1 142 . 1 . 1 38 38 PRO CA C 13 63.27 0.05 . 1 . . . . A 714 PRO CA . 30855 1 143 . 1 . 1 39 39 LEU H H 1 8.00 0.01 . 1 . . . . A 715 LEU H . 30855 1 144 . 1 . 1 39 39 LEU C C 13 177.32 0.05 . 1 . . . . A 715 LEU C . 30855 1 145 . 1 . 1 39 39 LEU CA C 13 54.86 0.05 . 1 . . . . A 715 LEU CA . 30855 1 146 . 1 . 1 39 39 LEU N N 15 119.03 0.03 . 1 . . . . A 715 LEU N . 30855 1 147 . 1 . 1 40 40 SER H H 1 7.93 0.01 . 1 . . . . A 716 SER H . 30855 1 148 . 1 . 1 40 40 SER C C 13 174.35 0.05 . 1 . . . . A 716 SER C . 30855 1 149 . 1 . 1 40 40 SER CA C 13 58.22 0.05 . 1 . . . . A 716 SER CA . 30855 1 150 . 1 . 1 40 40 SER N N 15 114.81 0.03 . 1 . . . . A 716 SER N . 30855 1 151 . 1 . 1 41 41 PHE H H 1 8.05 0.01 . 1 . . . . A 717 PHE H . 30855 1 152 . 1 . 1 41 41 PHE C C 13 175.43 0.05 . 1 . . . . A 717 PHE C . 30855 1 153 . 1 . 1 41 41 PHE CA C 13 57.49 0.05 . 1 . . . . A 717 PHE CA . 30855 1 154 . 1 . 1 41 41 PHE N N 15 120.86 0.03 . 1 . . . . A 717 PHE N . 30855 1 155 . 1 . 1 42 42 GLN H H 1 8.13 0.01 . 1 . . . . A 718 GLN H . 30855 1 156 . 1 . 1 42 42 GLN C C 13 175.94 0.05 . 1 . . . . A 718 GLN C . 30855 1 157 . 1 . 1 42 42 GLN CA C 13 55.56 0.05 . 1 . . . . A 718 GLN CA . 30855 1 158 . 1 . 1 42 42 GLN N N 15 120.21 0.03 . 1 . . . . A 718 GLN N . 30855 1 159 . 1 . 1 43 43 THR H H 1 8.03 0.01 . 1 . . . . A 719 THR H . 30855 1 160 . 1 . 1 43 43 THR CA C 13 61.81 0.05 . 1 . . . . A 719 THR CA . 30855 1 161 . 1 . 1 43 43 THR N N 15 114.20 0.03 . 1 . . . . A 719 THR N . 30855 1 162 . 1 . 1 44 44 HIS C C 13 174.75 0.05 . 1 . . . . A 720 HIS C . 30855 1 163 . 1 . 1 44 44 HIS CA C 13 55.70 0.05 . 1 . . . . A 720 HIS CA . 30855 1 164 . 1 . 1 45 45 LEU H H 1 8.02 0.01 . 1 . . . . A 721 LEU H . 30855 1 165 . 1 . 1 45 45 LEU CA C 13 52.47 0.05 . 1 . . . . A 721 LEU CA . 30855 1 166 . 1 . 1 45 45 LEU N N 15 123.97 0.03 . 1 . . . . A 721 LEU N . 30855 1 167 . 1 . 1 46 46 PRO C C 13 176.74 0.05 . 1 . . . . A 722 PRO C . 30855 1 168 . 1 . 1 46 46 PRO CA C 13 62.54 0.05 . 1 . . . . A 722 PRO CA . 30855 1 169 . 1 . 1 47 47 THR H H 1 8.15 0.01 . 1 . . . . A 723 THR H . 30855 1 170 . 1 . 1 47 47 THR CA C 13 59.45 0.05 . 1 . . . . A 723 THR CA . 30855 1 171 . 1 . 1 47 47 THR N N 15 116.61 0.03 . 1 . . . . A 723 THR N . 30855 1 172 . 1 . 1 48 48 PRO C C 13 177.10 0.05 . 1 . . . . A 724 PRO C . 30855 1 173 . 1 . 1 48 48 PRO CA C 13 62.91 0.05 . 1 . . . . A 724 PRO CA . 30855 1 174 . 1 . 1 49 49 ARG H H 1 8.45 0.01 . 1 . . . . A 725 ARG H . 30855 1 175 . 1 . 1 49 49 ARG C C 13 177.14 0.05 . 1 . . . . A 725 ARG C . 30855 1 176 . 1 . 1 49 49 ARG CA C 13 55.87 0.05 . 1 . . . . A 725 ARG CA . 30855 1 177 . 1 . 1 49 49 ARG N N 15 121.18 0.03 . 1 . . . . A 725 ARG N . 30855 1 178 . 1 . 1 61 61 GLY H H 1 8.48 0.01 . 1 . . . . A 737 GLY H . 30855 1 179 . 1 . 1 61 61 GLY C C 13 174.84 0.05 . 1 . . . . A 737 GLY C . 30855 1 180 . 1 . 1 61 61 GLY CA C 13 45.06 0.05 . 1 . . . . A 737 GLY CA . 30855 1 181 . 1 . 1 61 61 GLY N N 15 110.12 0.03 . 1 . . . . A 737 GLY N . 30855 1 182 . 1 . 1 62 62 GLY H H 1 8.32 0.01 . 1 . . . . A 738 GLY H . 30855 1 183 . 1 . 1 62 62 GLY C C 13 174.61 0.05 . 1 . . . . A 738 GLY C . 30855 1 184 . 1 . 1 62 62 GLY CA C 13 44.88 0.05 . 1 . . . . A 738 GLY CA . 30855 1 185 . 1 . 1 62 62 GLY N N 15 108.90 0.03 . 1 . . . . A 738 GLY N . 30855 1 186 . 1 . 1 63 63 GLU H H 1 8.43 0.01 . 1 . . . . A 739 GLU H . 30855 1 187 . 1 . 1 63 63 GLU C C 13 177.15 0.05 . 1 . . . . A 739 GLU C . 30855 1 188 . 1 . 1 63 63 GLU CA C 13 56.88 0.05 . 1 . . . . A 739 GLU CA . 30855 1 189 . 1 . 1 63 63 GLU N N 15 120.64 0.03 . 1 . . . . A 739 GLU N . 30855 1 190 . 1 . 1 64 64 ARG H H 1 8.40 0.01 . 1 . . . . A 740 ARG H . 30855 1 191 . 1 . 1 64 64 ARG C C 13 176.71 0.05 . 1 . . . . A 740 ARG C . 30855 1 192 . 1 . 1 64 64 ARG CA C 13 56.20 0.05 . 1 . . . . A 740 ARG CA . 30855 1 193 . 1 . 1 64 64 ARG N N 15 120.76 0.03 . 1 . . . . A 740 ARG N . 30855 1 194 . 1 . 1 65 65 ASP H H 1 8.22 0.01 . 1 . . . . A 741 ASP H . 30855 1 195 . 1 . 1 65 65 ASP C C 13 176.47 0.05 . 1 . . . . A 741 ASP C . 30855 1 196 . 1 . 1 65 65 ASP CA C 13 54.86 0.05 . 1 . . . . A 741 ASP CA . 30855 1 197 . 1 . 1 65 65 ASP N N 15 120.37 0.03 . 1 . . . . A 741 ASP N . 30855 1 198 . 1 . 1 66 66 ARG H H 1 8.18 0.01 . 1 . . . . A 742 ARG H . 30855 1 199 . 1 . 1 66 66 ARG CA C 13 56.85 0.05 . 1 . . . . A 742 ARG CA . 30855 1 200 . 1 . 1 66 66 ARG N N 15 120.56 0.03 . 1 . . . . A 742 ARG N . 30855 1 201 . 1 . 1 67 67 ASP C C 13 177.07 0.05 . 1 . . . . A 743 ASP C . 30855 1 202 . 1 . 1 67 67 ASP CA C 13 54.89 0.05 . 1 . . . . A 743 ASP CA . 30855 1 203 . 1 . 1 68 68 ARG H H 1 8.12 0.01 . 1 . . . . A 744 ARG H . 30855 1 204 . 1 . 1 68 68 ARG C C 13 177.10 0.05 . 1 . . . . A 744 ARG C . 30855 1 205 . 1 . 1 68 68 ARG CA C 13 56.94 0.05 . 1 . . . . A 744 ARG CA . 30855 1 206 . 1 . 1 68 68 ARG N N 15 120.94 0.03 . 1 . . . . A 744 ARG N . 30855 1 207 . 1 . 1 69 69 SER H H 1 8.25 0.01 . 1 . . . . A 745 SER H . 30855 1 208 . 1 . 1 69 69 SER C C 13 175.04 0.05 . 1 . . . . A 745 SER C . 30855 1 209 . 1 . 1 69 69 SER CA C 13 59.69 0.05 . 1 . . . . A 745 SER CA . 30855 1 210 . 1 . 1 69 69 SER N N 15 115.64 0.03 . 1 . . . . A 745 SER N . 30855 1 211 . 1 . 1 70 70 ILE H H 1 7.97 0.01 . 1 . . . . A 746 ILE H . 30855 1 212 . 1 . 1 70 70 ILE C C 13 176.47 0.05 . 1 . . . . A 746 ILE C . 30855 1 213 . 1 . 1 70 70 ILE CA C 13 61.87 0.05 . 1 . . . . A 746 ILE CA . 30855 1 214 . 1 . 1 70 70 ILE N N 15 121.43 0.03 . 1 . . . . A 746 ILE N . 30855 1 215 . 1 . 1 71 71 ARG H H 1 8.11 0.01 . 1 . . . . A 747 ARG H . 30855 1 216 . 1 . 1 71 71 ARG C C 13 177.20 0.05 . 1 . . . . A 747 ARG C . 30855 1 217 . 1 . 1 71 71 ARG CA C 13 56.63 0.05 . 1 . . . . A 747 ARG CA . 30855 1 218 . 1 . 1 71 71 ARG N N 15 122.51 0.03 . 1 . . . . A 747 ARG N . 30855 1 219 . 1 . 1 72 72 LEU H H 1 8.17 0.01 . 1 . . . . A 748 LEU H . 30855 1 220 . 1 . 1 72 72 LEU CA C 13 55.83 0.05 . 1 . . . . A 748 LEU CA . 30855 1 221 . 1 . 1 72 72 LEU N N 15 121.56 0.03 . 1 . . . . A 748 LEU N . 30855 1 222 . 1 . 1 73 73 VAL C C 13 176.28 0.05 . 1 . . . . A 749 VAL C . 30855 1 223 . 1 . 1 74 74 ASN H H 1 8.44 0.01 . 1 . . . . A 750 ASN H . 30855 1 224 . 1 . 1 74 74 ASN C C 13 176.67 0.05 . 1 . . . . A 750 ASN C . 30855 1 225 . 1 . 1 74 74 ASN CA C 13 54.08 0.05 . 1 . . . . A 750 ASN CA . 30855 1 226 . 1 . 1 74 74 ASN N N 15 120.25 0.03 . 1 . . . . A 750 ASN N . 30855 1 227 . 1 . 1 75 75 GLY H H 1 8.36 0.01 . 1 . . . . A 751 GLY H . 30855 1 228 . 1 . 1 75 75 GLY C C 13 175.04 0.05 . 1 . . . . A 751 GLY C . 30855 1 229 . 1 . 1 75 75 GLY CA C 13 45.62 0.05 . 1 . . . . A 751 GLY CA . 30855 1 230 . 1 . 1 75 75 GLY N N 15 107.90 0.03 . 1 . . . . A 751 GLY N . 30855 1 231 . 1 . 1 76 76 SER H H 1 8.10 0.01 . 1 . . . . A 752 SER H . 30855 1 232 . 1 . 1 76 76 SER C C 13 175.67 0.05 . 1 . . . . A 752 SER C . 30855 1 233 . 1 . 1 76 76 SER CA C 13 60.06 0.05 . 1 . . . . A 752 SER CA . 30855 1 234 . 1 . 1 76 76 SER N N 15 116.47 0.03 . 1 . . . . A 752 SER N . 30855 1 235 . 1 . 1 77 77 LEU H H 1 8.34 0.01 . 1 . . . . A 753 LEU H . 30855 1 236 . 1 . 1 77 77 LEU C C 13 177.77 0.05 . 1 . . . . A 753 LEU C . 30855 1 237 . 1 . 1 77 77 LEU CA C 13 56.66 0.05 . 1 . . . . A 753 LEU CA . 30855 1 238 . 1 . 1 77 77 LEU N N 15 122.12 0.03 . 1 . . . . A 753 LEU N . 30855 1 239 . 1 . 1 78 78 ALA H H 1 8.00 0.01 . 1 . . . . A 754 ALA H . 30855 1 240 . 1 . 1 78 78 ALA C C 13 179.26 0.05 . 1 . . . . A 754 ALA C . 30855 1 241 . 1 . 1 78 78 ALA CA C 13 54.24 0.05 . 1 . . . . A 754 ALA CA . 30855 1 242 . 1 . 1 78 78 ALA N N 15 120.43 0.03 . 1 . . . . A 754 ALA N . 30855 1 243 . 1 . 1 79 79 LEU H H 1 7.62 0.01 . 1 . . . . A 755 LEU H . 30855 1 244 . 1 . 1 79 79 LEU C C 13 178.82 0.05 . 1 . . . . A 755 LEU C . 30855 1 245 . 1 . 1 79 79 LEU CA C 13 56.60 0.05 . 1 . . . . A 755 LEU CA . 30855 1 246 . 1 . 1 79 79 LEU N N 15 117.75 0.03 . 1 . . . . A 755 LEU N . 30855 1 247 . 1 . 1 80 80 ILE H H 1 7.75 0.01 . 1 . . . . A 756 ILE H . 30855 1 248 . 1 . 1 80 80 ILE C C 13 177.45 0.05 . 1 . . . . A 756 ILE C . 30855 1 249 . 1 . 1 80 80 ILE CA C 13 62.85 0.05 . 1 . . . . A 756 ILE CA . 30855 1 250 . 1 . 1 80 80 ILE N N 15 117.67 0.03 . 1 . . . . A 756 ILE N . 30855 1 251 . 1 . 1 81 81 TRP H H 1 8.16 0.01 . 1 . . . . A 757 TRP H . 30855 1 252 . 1 . 1 81 81 TRP C C 13 177.40 0.05 . 1 . . . . A 757 TRP C . 30855 1 253 . 1 . 1 81 81 TRP CA C 13 59.23 0.05 . 1 . . . . A 757 TRP CA . 30855 1 254 . 1 . 1 81 81 TRP N N 15 120.88 0.03 . 1 . . . . A 757 TRP N . 30855 1 255 . 1 . 1 82 82 ASP H H 1 8.16 0.01 . 1 . . . . A 758 ASP H . 30855 1 256 . 1 . 1 82 82 ASP C C 13 178.64 0.05 . 1 . . . . A 758 ASP C . 30855 1 257 . 1 . 1 82 82 ASP CA C 13 57.09 0.05 . 1 . . . . A 758 ASP CA . 30855 1 258 . 1 . 1 82 82 ASP N N 15 117.75 0.03 . 1 . . . . A 758 ASP N . 30855 1 259 . 1 . 1 83 83 ASP H H 1 7.97 0.01 . 1 . . . . A 759 ASP H . 30855 1 260 . 1 . 1 83 83 ASP CA C 13 56.72 0.05 . 1 . . . . A 759 ASP CA . 30855 1 261 . 1 . 1 83 83 ASP N N 15 119.76 0.03 . 1 . . . . A 759 ASP N . 30855 1 262 . 1 . 1 85 85 ARG C C 13 176.05 0.05 . 1 . . . . A 761 ARG C . 30855 1 263 . 1 . 1 86 86 SER H H 1 7.90 0.01 . 1 . . . . A 762 SER H . 30855 1 264 . 1 . 1 86 86 SER C C 13 176.92 0.05 . 1 . . . . A 762 SER C . 30855 1 265 . 1 . 1 86 86 SER CA C 13 58.97 0.05 . 1 . . . . A 762 SER CA . 30855 1 266 . 1 . 1 86 86 SER N N 15 114.35 0.03 . 1 . . . . A 762 SER N . 30855 1 267 . 1 . 1 87 87 LEU H H 1 7.92 0.01 . 1 . . . . A 763 LEU H . 30855 1 268 . 1 . 1 87 87 LEU CA C 13 56.59 0.05 . 1 . . . . A 763 LEU CA . 30855 1 269 . 1 . 1 87 87 LEU N N 15 121.58 0.03 . 1 . . . . A 763 LEU N . 30855 1 270 . 1 . 1 93 93 HIS C C 13 177.38 0.05 . 1 . . . . A 769 HIS C . 30855 1 271 . 1 . 1 93 93 HIS CA C 13 59.00 0.05 . 1 . . . . A 769 HIS CA . 30855 1 272 . 1 . 1 94 94 ARG H H 1 7.67 0.01 . 1 . . . . A 770 ARG H . 30855 1 273 . 1 . 1 94 94 ARG C C 13 177.99 0.05 . 1 . . . . A 770 ARG C . 30855 1 274 . 1 . 1 94 94 ARG CA C 13 57.04 0.05 . 1 . . . . A 770 ARG CA . 30855 1 275 . 1 . 1 94 94 ARG N N 15 117.50 0.03 . 1 . . . . A 770 ARG N . 30855 1 276 . 1 . 1 95 95 LEU H H 1 7.97 0.01 . 1 . . . . A 771 LEU H . 30855 1 277 . 1 . 1 95 95 LEU C C 13 178.31 0.05 . 1 . . . . A 771 LEU C . 30855 1 278 . 1 . 1 95 95 LEU CA C 13 57.35 0.05 . 1 . . . . A 771 LEU CA . 30855 1 279 . 1 . 1 95 95 LEU N N 15 119.47 0.03 . 1 . . . . A 771 LEU N . 30855 1 280 . 1 . 1 96 96 ARG H H 1 8.24 0.01 . 1 . . . . A 772 ARG H . 30855 1 281 . 1 . 1 96 96 ARG C C 13 178.16 0.05 . 1 . . . . A 772 ARG C . 30855 1 282 . 1 . 1 96 96 ARG CA C 13 59.54 0.05 . 1 . . . . A 772 ARG CA . 30855 1 283 . 1 . 1 96 96 ARG N N 15 118.67 0.03 . 1 . . . . A 772 ARG N . 30855 1 284 . 1 . 1 97 97 ASP H H 1 7.89 0.01 . 1 . . . . A 773 ASP H . 30855 1 285 . 1 . 1 97 97 ASP C C 13 178.72 0.05 . 1 . . . . A 773 ASP C . 30855 1 286 . 1 . 1 97 97 ASP CA C 13 57.38 0.05 . 1 . . . . A 773 ASP CA . 30855 1 287 . 1 . 1 97 97 ASP N N 15 118.84 0.03 . 1 . . . . A 773 ASP N . 30855 1 288 . 1 . 1 98 98 LEU H H 1 7.99 0.01 . 1 . . . . A 774 LEU H . 30855 1 289 . 1 . 1 98 98 LEU C C 13 178.55 0.05 . 1 . . . . A 774 LEU C . 30855 1 290 . 1 . 1 98 98 LEU CA C 13 57.56 0.05 . 1 . . . . A 774 LEU CA . 30855 1 291 . 1 . 1 98 98 LEU N N 15 119.59 0.03 . 1 . . . . A 774 LEU N . 30855 1 292 . 1 . 1 99 99 LEU H H 1 8.37 0.01 . 1 . . . . A 775 LEU H . 30855 1 293 . 1 . 1 99 99 LEU C C 13 179.87 0.05 . 1 . . . . A 775 LEU C . 30855 1 294 . 1 . 1 99 99 LEU CA C 13 57.69 0.05 . 1 . . . . A 775 LEU CA . 30855 1 295 . 1 . 1 99 99 LEU N N 15 118.26 0.03 . 1 . . . . A 775 LEU N . 30855 1 296 . 1 . 1 100 100 LEU H H 1 8.24 0.01 . 1 . . . . A 776 LEU H . 30855 1 297 . 1 . 1 100 100 LEU C C 13 179.50 0.05 . 1 . . . . A 776 LEU C . 30855 1 298 . 1 . 1 100 100 LEU CA C 13 57.87 0.05 . 1 . . . . A 776 LEU CA . 30855 1 299 . 1 . 1 100 100 LEU N N 15 121.43 0.03 . 1 . . . . A 776 LEU N . 30855 1 300 . 1 . 1 101 101 ILE H H 1 7.91 0.01 . 1 . . . . A 777 ILE H . 30855 1 301 . 1 . 1 101 101 ILE C C 13 177.90 0.05 . 1 . . . . A 777 ILE C . 30855 1 302 . 1 . 1 101 101 ILE CA C 13 64.83 0.05 . 1 . . . . A 777 ILE CA . 30855 1 303 . 1 . 1 101 101 ILE N N 15 119.76 0.03 . 1 . . . . A 777 ILE N . 30855 1 304 . 1 . 1 102 102 VAL H H 1 8.29 0.01 . 1 . . . . A 778 VAL H . 30855 1 305 . 1 . 1 102 102 VAL C C 13 177.63 0.05 . 1 . . . . A 778 VAL C . 30855 1 306 . 1 . 1 102 102 VAL CA C 13 66.95 0.05 . 1 . . . . A 778 VAL CA . 30855 1 307 . 1 . 1 102 102 VAL N N 15 118.17 0.03 . 1 . . . . A 778 VAL N . 30855 1 308 . 1 . 1 103 103 THR H H 1 8.31 0.01 . 1 . . . . A 779 THR H . 30855 1 309 . 1 . 1 103 103 THR C C 13 176.35 0.05 . 1 . . . . A 779 THR C . 30855 1 310 . 1 . 1 103 103 THR CA C 13 67.16 0.05 . 1 . . . . A 779 THR CA . 30855 1 311 . 1 . 1 103 103 THR N N 15 113.79 0.03 . 1 . . . . A 779 THR N . 30855 1 312 . 1 . 1 104 104 ARG H H 1 7.90 0.01 . 1 . . . . A 780 ARG H . 30855 1 313 . 1 . 1 104 104 ARG C C 13 179.12 0.05 . 1 . . . . A 780 ARG C . 30855 1 314 . 1 . 1 104 104 ARG CA C 13 58.19 0.05 . 1 . . . . A 780 ARG CA . 30855 1 315 . 1 . 1 104 104 ARG N N 15 120.76 0.03 . 1 . . . . A 780 ARG N . 30855 1 316 . 1 . 1 105 105 ILE H H 1 8.15 0.01 . 1 . . . . A 781 ILE H . 30855 1 317 . 1 . 1 105 105 ILE C C 13 177.47 0.05 . 1 . . . . A 781 ILE C . 30855 1 318 . 1 . 1 105 105 ILE CA C 13 65.14 0.05 . 1 . . . . A 781 ILE CA . 30855 1 319 . 1 . 1 105 105 ILE N N 15 119.34 0.03 . 1 . . . . A 781 ILE N . 30855 1 320 . 1 . 1 106 106 VAL H H 1 8.31 0.01 . 1 . . . . A 782 VAL H . 30855 1 321 . 1 . 1 106 106 VAL C C 13 179.12 0.05 . 1 . . . . A 782 VAL C . 30855 1 322 . 1 . 1 106 106 VAL CA C 13 66.82 0.05 . 1 . . . . A 782 VAL CA . 30855 1 323 . 1 . 1 106 106 VAL N N 15 118.92 0.03 . 1 . . . . A 782 VAL N . 30855 1 324 . 1 . 1 107 107 GLU H H 1 8.19 0.01 . 1 . . . . A 783 GLU H . 30855 1 325 . 1 . 1 107 107 GLU C C 13 177.39 0.05 . 1 . . . . A 783 GLU C . 30855 1 326 . 1 . 1 107 107 GLU N N 15 119.34 0.03 . 1 . . . . A 783 GLU N . 30855 1 327 . 1 . 1 108 108 LEU H H 1 8.09 0.01 . 1 . . . . A 784 LEU H . 30855 1 328 . 1 . 1 108 108 LEU C C 13 178.97 0.05 . 1 . . . . A 784 LEU C . 30855 1 329 . 1 . 1 108 108 LEU CA C 13 60.09 0.05 . 1 . . . . A 784 LEU CA . 30855 1 330 . 1 . 1 108 108 LEU N N 15 119.42 0.03 . 1 . . . . A 784 LEU N . 30855 1 331 . 1 . 1 109 109 LEU H H 1 8.21 0.01 . 1 . . . . A 785 LEU H . 30855 1 332 . 1 . 1 109 109 LEU CA C 13 56.60 0.05 . 1 . . . . A 785 LEU CA . 30855 1 333 . 1 . 1 109 109 LEU N N 15 117.42 0.03 . 1 . . . . A 785 LEU N . 30855 1 334 . 1 . 1 110 110 GLY H H 1 8.20 0.01 . 1 . . . . A 786 GLY H . 30855 1 335 . 1 . 1 110 110 GLY CA C 13 45.73 0.05 . 1 . . . . A 786 GLY CA . 30855 1 336 . 1 . 1 110 110 GLY N N 15 105.39 0.03 . 1 . . . . A 786 GLY N . 30855 1 337 . 1 . 1 111 111 ARG C C 13 178.46 0.05 . 1 . . . . A 787 ARG C . 30855 1 338 . 1 . 1 112 112 ARG H H 1 8.44 0.01 . 1 . . . . A 788 ARG H . 30855 1 339 . 1 . 1 112 112 ARG C C 13 178.78 0.05 . 1 . . . . A 788 ARG C . 30855 1 340 . 1 . 1 112 112 ARG CA C 13 57.26 0.05 . 1 . . . . A 788 ARG CA . 30855 1 341 . 1 . 1 112 112 ARG N N 15 117.19 0.03 . 1 . . . . A 788 ARG N . 30855 1 342 . 1 . 1 113 113 GLY H H 1 8.21 0.01 . 1 . . . . A 789 GLY H . 30855 1 343 . 1 . 1 113 113 GLY C C 13 174.73 0.05 . 1 . . . . A 789 GLY C . 30855 1 344 . 1 . 1 113 113 GLY CA C 13 46.62 0.05 . 1 . . . . A 789 GLY CA . 30855 1 345 . 1 . 1 113 113 GLY N N 15 107.65 0.03 . 1 . . . . A 789 GLY N . 30855 1 346 . 1 . 1 114 114 TRP H H 1 8.27 0.01 . 1 . . . . A 790 TRP H . 30855 1 347 . 1 . 1 114 114 TRP C C 13 177.80 0.05 . 1 . . . . A 790 TRP C . 30855 1 348 . 1 . 1 114 114 TRP CA C 13 59.29 0.05 . 1 . . . . A 790 TRP CA . 30855 1 349 . 1 . 1 114 114 TRP N N 15 121.59 0.03 . 1 . . . . A 790 TRP N . 30855 1 350 . 1 . 1 115 115 GLU H H 1 8.34 0.01 . 1 . . . . A 791 GLU H . 30855 1 351 . 1 . 1 115 115 GLU C C 13 175.18 0.05 . 1 . . . . A 791 GLU C . 30855 1 352 . 1 . 1 115 115 GLU CA C 13 58.93 0.05 . 1 . . . . A 791 GLU CA . 30855 1 353 . 1 . 1 115 115 GLU N N 15 117.09 0.03 . 1 . . . . A 791 GLU N . 30855 1 354 . 1 . 1 116 116 ALA H H 1 7.90 0.01 . 1 . . . . A 792 ALA H . 30855 1 355 . 1 . 1 116 116 ALA C C 13 178.82 0.05 . 1 . . . . A 792 ALA C . 30855 1 356 . 1 . 1 116 116 ALA CA C 13 54.64 0.05 . 1 . . . . A 792 ALA CA . 30855 1 357 . 1 . 1 116 116 ALA N N 15 121.51 0.03 . 1 . . . . A 792 ALA N . 30855 1 358 . 1 . 1 117 117 LEU H H 1 7.93 0.01 . 1 . . . . A 793 LEU H . 30855 1 359 . 1 . 1 117 117 LEU C C 13 178.53 0.05 . 1 . . . . A 793 LEU C . 30855 1 360 . 1 . 1 117 117 LEU CA C 13 57.83 0.05 . 1 . . . . A 793 LEU CA . 30855 1 361 . 1 . 1 117 117 LEU N N 15 117.50 0.03 . 1 . . . . A 793 LEU N . 30855 1 362 . 1 . 1 118 118 LYS H H 1 8.01 0.01 . 1 . . . . A 794 LYS H . 30855 1 363 . 1 . 1 118 118 LYS C C 13 178.46 0.05 . 1 . . . . A 794 LYS C . 30855 1 364 . 1 . 1 118 118 LYS CA C 13 59.66 0.05 . 1 . . . . A 794 LYS CA . 30855 1 365 . 1 . 1 118 118 LYS N N 15 117.75 0.03 . 1 . . . . A 794 LYS N . 30855 1 366 . 1 . 1 119 119 TYR H H 1 7.85 0.01 . 1 . . . . A 795 TYR H . 30855 1 367 . 1 . 1 119 119 TYR C C 13 178.05 0.05 . 1 . . . . A 795 TYR C . 30855 1 368 . 1 . 1 119 119 TYR CA C 13 60.85 0.05 . 1 . . . . A 795 TYR CA . 30855 1 369 . 1 . 1 119 119 TYR N N 15 119.59 0.03 . 1 . . . . A 795 TYR N . 30855 1 370 . 1 . 1 120 120 TRP H H 1 8.27 0.01 . 1 . . . . A 796 TRP H . 30855 1 371 . 1 . 1 120 120 TRP C C 13 178.08 0.05 . 1 . . . . A 796 TRP C . 30855 1 372 . 1 . 1 120 120 TRP CA C 13 59.97 0.05 . 1 . . . . A 796 TRP CA . 30855 1 373 . 1 . 1 120 120 TRP N N 15 119.59 0.03 . 1 . . . . A 796 TRP N . 30855 1 374 . 1 . 1 121 121 TRP H H 1 8.81 0.01 . 1 . . . . A 797 TRP H . 30855 1 375 . 1 . 1 121 121 TRP C C 13 177.93 0.05 . 1 . . . . A 797 TRP C . 30855 1 376 . 1 . 1 121 121 TRP CA C 13 59.76 0.05 . 1 . . . . A 797 TRP CA . 30855 1 377 . 1 . 1 121 121 TRP N N 15 119.87 0.03 . 1 . . . . A 797 TRP N . 30855 1 378 . 1 . 1 122 122 ASN H H 1 8.28 0.01 . 1 . . . . A 798 ASN H . 30855 1 379 . 1 . 1 122 122 ASN C C 13 178.28 0.05 . 1 . . . . A 798 ASN C . 30855 1 380 . 1 . 1 122 122 ASN CA C 13 56.05 0.05 . 1 . . . . A 798 ASN CA . 30855 1 381 . 1 . 1 122 122 ASN N N 15 116.33 0.03 . 1 . . . . A 798 ASN N . 30855 1 382 . 1 . 1 123 123 LEU H H 1 7.90 0.01 . 1 . . . . A 799 LEU H . 30855 1 383 . 1 . 1 123 123 LEU C C 13 178.49 0.05 . 1 . . . . A 799 LEU C . 30855 1 384 . 1 . 1 123 123 LEU CA C 13 57.61 0.05 . 1 . . . . A 799 LEU CA . 30855 1 385 . 1 . 1 123 123 LEU N N 15 121.85 0.03 . 1 . . . . A 799 LEU N . 30855 1 386 . 1 . 1 124 124 LEU H H 1 8.17 0.01 . 1 . . . . A 800 LEU H . 30855 1 387 . 1 . 1 124 124 LEU C C 13 179.67 0.05 . 1 . . . . A 800 LEU C . 30855 1 388 . 1 . 1 124 124 LEU CA C 13 57.83 0.05 . 1 . . . . A 800 LEU CA . 30855 1 389 . 1 . 1 124 124 LEU N N 15 118.67 0.03 . 1 . . . . A 800 LEU N . 30855 1 390 . 1 . 1 125 125 GLN H H 1 8.04 0.01 . 1 . . . . A 801 GLN H . 30855 1 391 . 1 . 1 125 125 GLN C C 13 178.18 0.05 . 1 . . . . A 801 GLN C . 30855 1 392 . 1 . 1 125 125 GLN CA C 13 58.69 0.05 . 1 . . . . A 801 GLN CA . 30855 1 393 . 1 . 1 125 125 GLN N N 15 118.00 0.03 . 1 . . . . A 801 GLN N . 30855 1 394 . 1 . 1 126 126 TYR H H 1 7.91 0.01 . 1 . . . . A 802 TYR H . 30855 1 395 . 1 . 1 126 126 TYR C C 13 177.85 0.05 . 1 . . . . A 802 TYR C . 30855 1 396 . 1 . 1 126 126 TYR CA C 13 60.67 0.05 . 1 . . . . A 802 TYR CA . 30855 1 397 . 1 . 1 126 126 TYR N N 15 120.84 0.03 . 1 . . . . A 802 TYR N . 30855 1 398 . 1 . 1 127 127 TRP H H 1 8.54 0.01 . 1 . . . . A 803 TRP H . 30855 1 399 . 1 . 1 127 127 TRP C C 13 178.15 0.05 . 1 . . . . A 803 TRP C . 30855 1 400 . 1 . 1 127 127 TRP CA C 13 59.20 0.05 . 1 . . . . A 803 TRP CA . 30855 1 401 . 1 . 1 127 127 TRP N N 15 119.23 0.03 . 1 . . . . A 803 TRP N . 30855 1 402 . 1 . 1 128 128 SER H H 1 8.24 0.01 . 1 . . . . A 804 SER H . 30855 1 403 . 1 . 1 128 128 SER C C 13 175.85 0.05 . 1 . . . . A 804 SER C . 30855 1 404 . 1 . 1 128 128 SER CA C 13 61.95 0.05 . 1 . . . . A 804 SER CA . 30855 1 405 . 1 . 1 128 128 SER N N 15 114.16 0.03 . 1 . . . . A 804 SER N . 30855 1 406 . 1 . 1 129 129 GLN H H 1 7.77 0.01 . 1 . . . . A 805 GLN H . 30855 1 407 . 1 . 1 129 129 GLN C C 13 178.16 0.05 . 1 . . . . A 805 GLN C . 30855 1 408 . 1 . 1 129 129 GLN CA C 13 58.13 0.05 . 1 . . . . A 805 GLN CA . 30855 1 409 . 1 . 1 129 129 GLN N N 15 120.59 0.03 . 1 . . . . A 805 GLN N . 30855 1 410 . 1 . 1 130 130 GLU H H 1 8.04 0.01 . 1 . . . . A 806 GLU H . 30855 1 411 . 1 . 1 130 130 GLU C C 13 179.66 0.05 . 1 . . . . A 806 GLU C . 30855 1 412 . 1 . 1 130 130 GLU CA C 13 58.28 0.05 . 1 . . . . A 806 GLU CA . 30855 1 413 . 1 . 1 130 130 GLU N N 15 118.92 0.03 . 1 . . . . A 806 GLU N . 30855 1 414 . 1 . 1 131 131 LEU H H 1 8.30 0.01 . 1 . . . . A 807 LEU H . 30855 1 415 . 1 . 1 131 131 LEU C C 13 178.60 0.05 . 1 . . . . A 807 LEU C . 30855 1 416 . 1 . 1 131 131 LEU CA C 13 57.29 0.05 . 1 . . . . A 807 LEU CA . 30855 1 417 . 1 . 1 131 131 LEU N N 15 120.43 0.03 . 1 . . . . A 807 LEU N . 30855 1 418 . 1 . 1 132 132 LYS H H 1 7.94 0.01 . 1 . . . . A 808 LYS H . 30855 1 419 . 1 . 1 132 132 LYS C C 13 177.92 0.05 . 1 . . . . A 808 LYS C . 30855 1 420 . 1 . 1 132 132 LYS CA C 13 59.57 0.05 . 1 . . . . A 808 LYS CA . 30855 1 421 . 1 . 1 132 132 LYS N N 15 118.92 0.03 . 1 . . . . A 808 LYS N . 30855 1 422 . 1 . 1 133 133 ASN H H 1 8.29 0.01 . 1 . . . . A 809 ASN H . 30855 1 423 . 1 . 1 133 133 ASN C C 13 178.28 0.05 . 1 . . . . A 809 ASN C . 30855 1 424 . 1 . 1 133 133 ASN CA C 13 55.00 0.05 . 1 . . . . A 809 ASN CA . 30855 1 425 . 1 . 1 133 133 ASN N N 15 116.58 0.03 . 1 . . . . A 809 ASN N . 30855 1 426 . 1 . 1 134 134 SER H H 1 8.26 0.01 . 1 . . . . A 810 SER H . 30855 1 427 . 1 . 1 134 134 SER C C 13 175.64 0.05 . 1 . . . . A 810 SER C . 30855 1 428 . 1 . 1 134 134 SER CA C 13 61.16 0.05 . 1 . . . . A 810 SER CA . 30855 1 429 . 1 . 1 134 134 SER N N 15 116.75 0.03 . 1 . . . . A 810 SER N . 30855 1 430 . 1 . 1 135 135 ALA H H 1 8.33 0.01 . 1 . . . . A 811 ALA H . 30855 1 431 . 1 . 1 135 135 ALA C C 13 178.78 0.05 . 1 . . . . A 811 ALA C . 30855 1 432 . 1 . 1 135 135 ALA CA C 13 54.83 0.05 . 1 . . . . A 811 ALA CA . 30855 1 433 . 1 . 1 135 135 ALA N N 15 124.32 0.03 . 1 . . . . A 811 ALA N . 30855 1 434 . 1 . 1 136 136 VAL H H 1 8.21 0.01 . 1 . . . . A 812 VAL H . 30855 1 435 . 1 . 1 136 136 VAL C C 13 178.07 0.05 . 1 . . . . A 812 VAL C . 30855 1 436 . 1 . 1 136 136 VAL CA C 13 65.91 0.05 . 1 . . . . A 812 VAL CA . 30855 1 437 . 1 . 1 136 136 VAL N N 15 116.83 0.03 . 1 . . . . A 812 VAL N . 30855 1 438 . 1 . 1 137 137 SER H H 1 7.99 0.01 . 1 . . . . A 813 SER H . 30855 1 439 . 1 . 1 137 137 SER C C 13 177.04 0.05 . 1 . . . . A 813 SER C . 30855 1 440 . 1 . 1 137 137 SER CA C 13 61.04 0.05 . 1 . . . . A 813 SER CA . 30855 1 441 . 1 . 1 137 137 SER N N 15 115.58 0.03 . 1 . . . . A 813 SER N . 30855 1 442 . 1 . 1 138 138 LEU H H 1 8.08 0.01 . 1 . . . . A 814 LEU H . 30855 1 443 . 1 . 1 138 138 LEU C C 13 179.31 0.05 . 1 . . . . A 814 LEU C . 30855 1 444 . 1 . 1 138 138 LEU CA C 13 57.24 0.05 . 1 . . . . A 814 LEU CA . 30855 1 445 . 1 . 1 138 138 LEU N N 15 122.35 0.03 . 1 . . . . A 814 LEU N . 30855 1 446 . 1 . 1 139 139 LEU H H 1 8.31 0.01 . 1 . . . . A 815 LEU H . 30855 1 447 . 1 . 1 139 139 LEU C C 13 178.49 0.05 . 1 . . . . A 815 LEU C . 30855 1 448 . 1 . 1 139 139 LEU CA C 13 57.35 0.05 . 1 . . . . A 815 LEU CA . 30855 1 449 . 1 . 1 139 139 LEU N N 15 120.81 0.03 . 1 . . . . A 815 LEU N . 30855 1 450 . 1 . 1 140 140 ASN H H 1 8.33 0.01 . 1 . . . . A 816 ASN H . 30855 1 451 . 1 . 1 140 140 ASN C C 13 176.83 0.05 . 1 . . . . A 816 ASN C . 30855 1 452 . 1 . 1 140 140 ASN CA C 13 55.19 0.05 . 1 . . . . A 816 ASN CA . 30855 1 453 . 1 . 1 140 140 ASN N N 15 117.58 0.03 . 1 . . . . A 816 ASN N . 30855 1 454 . 1 . 1 141 141 ALA H H 1 8.09 0.01 . 1 . . . . A 817 ALA H . 30855 1 455 . 1 . 1 141 141 ALA C C 13 179.61 0.05 . 1 . . . . A 817 ALA C . 30855 1 456 . 1 . 1 141 141 ALA CA C 13 54.00 0.05 . 1 . . . . A 817 ALA CA . 30855 1 457 . 1 . 1 141 141 ALA N N 15 121.09 0.03 . 1 . . . . A 817 ALA N . 30855 1 458 . 1 . 1 142 142 THR H H 1 8.04 0.01 . 1 . . . . A 818 THR H . 30855 1 459 . 1 . 1 142 142 THR C C 13 175.05 0.05 . 1 . . . . A 818 THR C . 30855 1 460 . 1 . 1 142 142 THR CA C 13 65.05 0.05 . 1 . . . . A 818 THR CA . 30855 1 461 . 1 . 1 142 142 THR N N 15 113.49 0.03 . 1 . . . . A 818 THR N . 30855 1 462 . 1 . 1 143 143 ALA H H 1 8.10 0.01 . 1 . . . . A 819 ALA H . 30855 1 463 . 1 . 1 143 143 ALA C C 13 179.21 0.05 . 1 . . . . A 819 ALA C . 30855 1 464 . 1 . 1 143 143 ALA CA C 13 54.06 0.05 . 1 . . . . A 819 ALA CA . 30855 1 465 . 1 . 1 143 143 ALA N N 15 123.51 0.03 . 1 . . . . A 819 ALA N . 30855 1 466 . 1 . 1 144 144 ILE H H 1 7.81 0.01 . 1 . . . . A 820 ILE H . 30855 1 467 . 1 . 1 144 144 ILE C C 13 177.34 0.05 . 1 . . . . A 820 ILE C . 30855 1 468 . 1 . 1 144 144 ILE CA C 13 62.54 0.05 . 1 . . . . A 820 ILE CA . 30855 1 469 . 1 . 1 144 144 ILE N N 15 117.58 0.03 . 1 . . . . A 820 ILE N . 30855 1 470 . 1 . 1 145 145 ALA H H 1 7.93 0.01 . 1 . . . . A 821 ALA H . 30855 1 471 . 1 . 1 145 145 ALA C C 13 178.80 0.05 . 1 . . . . A 821 ALA C . 30855 1 472 . 1 . 1 145 145 ALA CA C 13 53.48 0.05 . 1 . . . . A 821 ALA CA . 30855 1 473 . 1 . 1 145 145 ALA N N 15 123.76 0.03 . 1 . . . . A 821 ALA N . 30855 1 474 . 1 . 1 146 146 VAL H H 1 8.12 0.01 . 1 . . . . A 822 VAL H . 30855 1 475 . 1 . 1 146 146 VAL C C 13 177.37 0.05 . 1 . . . . A 822 VAL C . 30855 1 476 . 1 . 1 146 146 VAL CA C 13 63.15 0.05 . 1 . . . . A 822 VAL CA . 30855 1 477 . 1 . 1 146 146 VAL N N 15 115.34 0.03 . 1 . . . . A 822 VAL N . 30855 1 478 . 1 . 1 147 147 GLY H H 1 8.11 0.01 . 1 . . . . A 823 GLY H . 30855 1 479 . 1 . 1 147 147 GLY C C 13 174.68 0.05 . 1 . . . . A 823 GLY C . 30855 1 480 . 1 . 1 147 147 GLY CA C 13 45.61 0.05 . 1 . . . . A 823 GLY CA . 30855 1 481 . 1 . 1 147 147 GLY N N 15 109.49 0.03 . 1 . . . . A 823 GLY N . 30855 1 482 . 1 . 1 148 148 GLU H H 1 8.23 0.01 . 1 . . . . A 824 GLU H . 30855 1 483 . 1 . 1 148 148 GLU C C 13 177.68 0.05 . 1 . . . . A 824 GLU C . 30855 1 484 . 1 . 1 148 148 GLU CA C 13 56.75 0.05 . 1 . . . . A 824 GLU CA . 30855 1 485 . 1 . 1 148 148 GLU N N 15 120.37 0.03 . 1 . . . . A 824 GLU N . 30855 1 486 . 1 . 1 149 149 GLY H H 1 8.37 0.01 . 1 . . . . A 825 GLY H . 30855 1 487 . 1 . 1 149 149 GLY C C 13 175.01 0.05 . 1 . . . . A 825 GLY C . 30855 1 488 . 1 . 1 149 149 GLY CA C 13 45.58 0.05 . 1 . . . . A 825 GLY CA . 30855 1 489 . 1 . 1 149 149 GLY N N 15 108.01 0.03 . 1 . . . . A 825 GLY N . 30855 1 490 . 1 . 1 150 150 THR H H 1 8.14 0.01 . 1 . . . . A 826 THR H . 30855 1 491 . 1 . 1 150 150 THR C C 13 175.50 0.05 . 1 . . . . A 826 THR C . 30855 1 492 . 1 . 1 150 150 THR CA C 13 64.31 0.05 . 1 . . . . A 826 THR CA . 30855 1 493 . 1 . 1 150 150 THR N N 15 114.33 0.03 . 1 . . . . A 826 THR N . 30855 1 494 . 1 . 1 151 151 ASP H H 1 8.40 0.01 . 1 . . . . A 827 ASP H . 30855 1 495 . 1 . 1 151 151 ASP CA C 13 56.20 0.05 . 1 . . . . A 827 ASP CA . 30855 1 496 . 1 . 1 151 151 ASP N N 15 120.90 0.03 . 1 . . . . A 827 ASP N . 30855 1 497 . 1 . 1 152 152 ARG C C 13 178.01 0.05 . 1 . . . . A 828 ARG C . 30855 1 498 . 1 . 1 152 152 ARG CA C 13 57.24 0.05 . 1 . . . . A 828 ARG CA . 30855 1 499 . 1 . 1 153 153 VAL H H 1 7.86 0.01 . 1 . . . . A 829 VAL H . 30855 1 500 . 1 . 1 153 153 VAL C C 13 177.33 0.05 . 1 . . . . A 829 VAL C . 30855 1 501 . 1 . 1 153 153 VAL CA C 13 65.44 0.05 . 1 . . . . A 829 VAL CA . 30855 1 502 . 1 . 1 153 153 VAL N N 15 118.92 0.03 . 1 . . . . A 829 VAL N . 30855 1 503 . 1 . 1 154 154 ILE H H 1 8.10 0.01 . 1 . . . . A 830 ILE H . 30855 1 504 . 1 . 1 154 154 ILE C C 13 177.54 0.05 . 1 . . . . A 830 ILE C . 30855 1 505 . 1 . 1 154 154 ILE CA C 13 63.89 0.05 . 1 . . . . A 830 ILE CA . 30855 1 506 . 1 . 1 154 154 ILE N N 15 119.84 0.03 . 1 . . . . A 830 ILE N . 30855 1 507 . 1 . 1 155 155 GLU H H 1 7.93 0.01 . 1 . . . . A 831 GLU H . 30855 1 508 . 1 . 1 155 155 GLU C C 13 179.61 0.05 . 1 . . . . A 831 GLU C . 30855 1 509 . 1 . 1 155 155 GLU CA C 13 58.62 0.05 . 1 . . . . A 831 GLU CA . 30855 1 510 . 1 . 1 155 155 GLU N N 15 119.92 0.03 . 1 . . . . A 831 GLU N . 30855 1 511 . 1 . 1 156 156 VAL H H 1 8.02 0.01 . 1 . . . . A 832 VAL H . 30855 1 512 . 1 . 1 156 156 VAL C C 13 177.93 0.05 . 1 . . . . A 832 VAL C . 30855 1 513 . 1 . 1 156 156 VAL CA C 13 65.23 0.05 . 1 . . . . A 832 VAL CA . 30855 1 514 . 1 . 1 156 156 VAL N N 15 120.09 0.03 . 1 . . . . A 832 VAL N . 30855 1 515 . 1 . 1 157 157 VAL H H 1 8.25 0.01 . 1 . . . . A 833 VAL H . 30855 1 516 . 1 . 1 157 157 VAL C C 13 178.14 0.05 . 1 . . . . A 833 VAL C . 30855 1 517 . 1 . 1 157 157 VAL CA C 13 65.69 0.05 . 1 . . . . A 833 VAL CA . 30855 1 518 . 1 . 1 157 157 VAL N N 15 120.17 0.03 . 1 . . . . A 833 VAL N . 30855 1 519 . 1 . 1 158 158 GLN H H 1 8.74 0.01 . 1 . . . . A 834 GLN H . 30855 1 520 . 1 . 1 158 158 GLN C C 13 179.05 0.05 . 1 . . . . A 834 GLN C . 30855 1 521 . 1 . 1 158 158 GLN CA C 13 58.25 0.05 . 1 . . . . A 834 GLN CA . 30855 1 522 . 1 . 1 158 158 GLN N N 15 119.82 0.03 . 1 . . . . A 834 GLN N . 30855 1 523 . 1 . 1 159 159 GLY H H 1 8.32 0.01 . 1 . . . . A 835 GLY H . 30855 1 524 . 1 . 1 159 159 GLY C C 13 176.01 0.05 . 1 . . . . A 835 GLY C . 30855 1 525 . 1 . 1 159 159 GLY CA C 13 46.41 0.05 . 1 . . . . A 835 GLY CA . 30855 1 526 . 1 . 1 159 159 GLY N N 15 108.15 0.03 . 1 . . . . A 835 GLY N . 30855 1 527 . 1 . 1 160 160 ALA H H 1 8.39 0.01 . 1 . . . . A 836 ALA H . 30855 1 528 . 1 . 1 160 160 ALA C C 13 178.70 0.05 . 1 . . . . A 836 ALA C . 30855 1 529 . 1 . 1 160 160 ALA CA C 13 54.15 0.05 . 1 . . . . A 836 ALA CA . 30855 1 530 . 1 . 1 160 160 ALA N N 15 124.27 0.03 . 1 . . . . A 836 ALA N . 30855 1 531 . 1 . 1 161 161 SER H H 1 8.21 0.01 . 1 . . . . A 837 SER H . 30855 1 532 . 1 . 1 161 161 SER C C 13 176.21 0.05 . 1 . . . . A 837 SER C . 30855 1 533 . 1 . 1 161 161 SER CA C 13 60.89 0.05 . 1 . . . . A 837 SER CA . 30855 1 534 . 1 . 1 161 161 SER N N 15 112.41 0.03 . 1 . . . . A 837 SER N . 30855 1 535 . 1 . 1 162 162 ARG H H 1 7.87 0.01 . 1 . . . . A 838 ARG H . 30855 1 536 . 1 . 1 162 162 ARG C C 13 177.95 0.05 . 1 . . . . A 838 ARG C . 30855 1 537 . 1 . 1 162 162 ARG CA C 13 58.19 0.05 . 1 . . . . A 838 ARG CA . 30855 1 538 . 1 . 1 162 162 ARG N N 15 120.09 0.03 . 1 . . . . A 838 ARG N . 30855 1 539 . 1 . 1 163 163 ALA H H 1 7.88 0.01 . 1 . . . . A 839 ALA H . 30855 1 540 . 1 . 1 163 163 ALA C C 13 179.49 0.05 . 1 . . . . A 839 ALA C . 30855 1 541 . 1 . 1 163 163 ALA CA C 13 53.88 0.05 . 1 . . . . A 839 ALA CA . 30855 1 542 . 1 . 1 163 163 ALA N N 15 120.68 0.03 . 1 . . . . A 839 ALA N . 30855 1 543 . 1 . 1 164 164 ILE H H 1 7.89 0.01 . 1 . . . . A 840 ILE H . 30855 1 544 . 1 . 1 164 164 ILE C C 13 177.03 0.05 . 1 . . . . A 840 ILE C . 30855 1 545 . 1 . 1 164 164 ILE CA C 13 62.78 0.05 . 1 . . . . A 840 ILE CA . 30855 1 546 . 1 . 1 164 164 ILE N N 15 115.33 0.03 . 1 . . . . A 840 ILE N . 30855 1 547 . 1 . 1 165 165 ARG H H 1 7.67 0.01 . 1 . . . . A 841 ARG H . 30855 1 548 . 1 . 1 165 165 ARG C C 13 174.50 0.05 . 1 . . . . A 841 ARG C . 30855 1 549 . 1 . 1 165 165 ARG CA C 13 57.43 0.05 . 1 . . . . A 841 ARG CA . 30855 1 550 . 1 . 1 165 165 ARG N N 15 118.42 0.03 . 1 . . . . A 841 ARG N . 30855 1 551 . 1 . 1 166 166 HIS H H 1 7.66 0.01 . 1 . . . . A 842 HIS H . 30855 1 552 . 1 . 1 166 166 HIS CA C 13 55.87 0.05 . 1 . . . . A 842 HIS CA . 30855 1 553 . 1 . 1 166 166 HIS N N 15 115.75 0.03 . 1 . . . . A 842 HIS N . 30855 1 554 . 1 . 1 169 169 ARG C C 13 176.87 0.05 . 1 . . . . A 845 ARG C . 30855 1 555 . 1 . 1 169 169 ARG CA C 13 57.33 0.05 . 1 . . . . A 845 ARG CA . 30855 1 556 . 1 . 1 170 170 ARG H H 1 7.76 0.01 . 1 . . . . A 846 ARG H . 30855 1 557 . 1 . 1 170 170 ARG CA C 13 56.23 0.05 . 1 . . . . A 846 ARG CA . 30855 1 558 . 1 . 1 170 170 ARG N N 15 116.48 0.03 . 1 . . . . A 846 ARG N . 30855 1 559 . 1 . 1 171 171 ILE C C 13 177.09 0.05 . 1 . . . . A 847 ILE C . 30855 1 560 . 1 . 1 171 171 ILE CA C 13 63.27 0.05 . 1 . . . . A 847 ILE CA . 30855 1 561 . 1 . 1 172 172 ARG H H 1 8.08 0.01 . 1 . . . . A 848 ARG H . 30855 1 562 . 1 . 1 172 172 ARG C C 13 177.93 0.05 . 1 . . . . A 848 ARG C . 30855 1 563 . 1 . 1 172 172 ARG CA C 13 59.39 0.05 . 1 . . . . A 848 ARG CA . 30855 1 564 . 1 . 1 172 172 ARG N N 15 120.34 0.03 . 1 . . . . A 848 ARG N . 30855 1 565 . 1 . 1 173 173 GLN H H 1 8.44 0.01 . 1 . . . . A 849 GLN H . 30855 1 566 . 1 . 1 173 173 GLN C C 13 178.69 0.05 . 1 . . . . A 849 GLN C . 30855 1 567 . 1 . 1 173 173 GLN CA C 13 58.07 0.05 . 1 . . . . A 849 GLN CA . 30855 1 568 . 1 . 1 173 173 GLN N N 15 116.80 0.03 . 1 . . . . A 849 GLN N . 30855 1 569 . 1 . 1 174 174 GLY H H 1 7.94 0.01 . 1 . . . . A 850 GLY H . 30855 1 570 . 1 . 1 174 174 GLY C C 13 175.41 0.05 . 1 . . . . A 850 GLY C . 30855 1 571 . 1 . 1 174 174 GLY CA C 13 46.50 0.05 . 1 . . . . A 850 GLY CA . 30855 1 572 . 1 . 1 174 174 GLY N N 15 107.06 0.03 . 1 . . . . A 850 GLY N . 30855 1 573 . 1 . 1 175 175 LEU H H 1 8.12 0.01 . 1 . . . . A 851 LEU H . 30855 1 574 . 1 . 1 175 175 LEU C C 13 178.51 0.05 . 1 . . . . A 851 LEU C . 30855 1 575 . 1 . 1 175 175 LEU CA C 13 56.60 0.05 . 1 . . . . A 851 LEU CA . 30855 1 576 . 1 . 1 175 175 LEU N N 15 120.26 0.03 . 1 . . . . A 851 LEU N . 30855 1 577 . 1 . 1 176 176 GLU H H 1 8.26 0.01 . 1 . . . . A 852 GLU H . 30855 1 578 . 1 . 1 176 176 GLU C C 13 178.04 0.05 . 1 . . . . A 852 GLU C . 30855 1 579 . 1 . 1 176 176 GLU CA C 13 58.81 0.05 . 1 . . . . A 852 GLU CA . 30855 1 580 . 1 . 1 176 176 GLU N N 15 118.17 0.03 . 1 . . . . A 852 GLU N . 30855 1 581 . 1 . 1 177 177 ARG H H 1 7.62 0.01 . 1 . . . . A 853 ARG H . 30855 1 582 . 1 . 1 177 177 ARG C C 13 177.46 0.05 . 1 . . . . A 853 ARG C . 30855 1 583 . 1 . 1 177 177 ARG CA C 13 57.15 0.05 . 1 . . . . A 853 ARG CA . 30855 1 584 . 1 . 1 177 177 ARG N N 15 115.92 0.03 . 1 . . . . A 853 ARG N . 30855 1 585 . 1 . 1 178 178 ILE H H 1 7.51 0.01 . 1 . . . . A 854 ILE H . 30855 1 586 . 1 . 1 178 178 ILE C C 13 175.87 0.05 . 1 . . . . A 854 ILE C . 30855 1 587 . 1 . 1 178 178 ILE CA C 13 62.01 0.05 . 1 . . . . A 854 ILE CA . 30855 1 588 . 1 . 1 178 178 ILE N N 15 115.41 0.03 . 1 . . . . A 854 ILE N . 30855 1 589 . 1 . 1 179 179 LEU H H 1 7.74 0.01 . 1 . . . . A 855 LEU H . 30855 1 590 . 1 . 1 179 179 LEU C C 13 175.92 0.05 . 1 . . . . A 855 LEU C . 30855 1 591 . 1 . 1 179 179 LEU CA C 13 55.00 0.05 . 1 . . . . A 855 LEU CA . 30855 1 592 . 1 . 1 179 179 LEU N N 15 119.17 0.03 . 1 . . . . A 855 LEU N . 30855 1 593 . 1 . 1 180 180 LEU H H 1 7.41 0.01 . 1 . . . . A 856 LEU H . 30855 1 594 . 1 . 1 180 180 LEU CA C 13 56.20 0.05 . 1 . . . . A 856 LEU CA . 30855 1 595 . 1 . 1 180 180 LEU N N 15 124.77 0.03 . 1 . . . . A 856 LEU N . 30855 1 stop_ save_