data_19955 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19955 _Entry.Title ; solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-07 _Entry.Accession_date 2014-05-07 _Entry.Last_release_date 2014-05-27 _Entry.Original_release_date 2014-05-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Debiao Zhao . . . 19955 2 Chongyuan Wang . . . 19955 3 Jiahai Zhang . . . 19955 4 Jihui Wu . . . 19955 5 Yunyu Shi . . . 19955 6 Zhiyong Zhang . . . 19955 7 Qingguo Gong . . . 19955 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19955 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'focal adhesion' . 19955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 551 19955 '15N chemical shifts' 132 19955 '1H chemical shifts' 970 19955 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 . . 2014-05-27 2014-05-07 original author . 19955 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MOX 'BMRB Entry Tracking System' 19955 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19955 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural Investigation of the Interaction between the Tandem SH3 Domains of c-Cbl-Associated Protein and Vinculin' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Debiao Zhao . . . 19955 1 2 Xuejuan Wang . . . 19955 1 3 Junhui Peng . . . 19955 1 4 Chongyuan Wang . . . 19955 1 5 Fudong Li . . . 19955 1 6 Qianqian Sun . . . 19955 1 7 Yibo Zhang . . . 19955 1 8 Jiahai Zhang . . . 19955 1 9 Gang Cai . . . 19955 1 10 Xiaobing Zuo . . . 19955 1 11 Jihui Wu . . . 19955 1 12 Yunyu Shi . . . 19955 1 13 Zhiyong Zhang . . . 19955 1 14 Qingguo Gong . . . 19955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19955 _Assembly.ID 1 _Assembly.Name 'tandem SH3 domain of CAP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'tandem SH3 domain of CAP' 1 $entity A . yes native no no . . . 19955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19955 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; QHMSGSEMRPARAKFDFKAQ TLKELPLQKGDIVYIYKQID QNWYEGEHHGRVGIFPRTYI ELLPPAEKAQPKKLTPVQVL EYGEAIAKFNFNGDTQVEMS FRKGERITLLRQVDENWYEG RIPGTSRQGIFPITYVDVIK RPL ; _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 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16663.225 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MOX . "Solution Structure Of Tandem Sh3 Domain Of Sorbin And Sh3 Domain- Containing Protein 1" . . . . . 100.00 143 100.00 100.00 5.14e-100 . . . . 19955 1 2 no EMBL CAE45892 . "hypothetical protein [Homo sapiens]" . . . . . 97.90 548 100.00 100.00 4.98e-94 . . . . 19955 1 3 no EMBL CAJ97431 . "ponsin [Homo sapiens]" . . . . . 97.90 1266 100.00 100.00 9.32e-91 . . . . 19955 1 4 no GB AAI60134 . "Sorbin and SH3 domain containing 1 [synthetic construct]" . . . . . 97.90 1292 100.00 100.00 1.20e-90 . . . . 19955 1 5 no GB AAK37563 . "sorbin and SH3 domain containing 1 [Homo sapiens]" . . . . . 97.90 1292 100.00 100.00 1.11e-90 . . . . 19955 1 6 no GB AAK37564 . "sorbin and SH3 domain containing 1 [Homo sapiens]" . . . . . 97.90 1151 100.00 100.00 7.93e-91 . . . . 19955 1 7 no GB AAK37565 . "sorbin and SH3 domain containing 1 [Homo sapiens]" . . . . . 97.90 905 100.00 100.00 9.08e-92 . . . . 19955 1 8 no GB EHB15262 . "Sorbin and SH3 domain-containing protein 1 [Heterocephalus glaber]" . . . . . 97.90 1901 97.86 98.57 1.84e-84 . . . . 19955 1 9 no REF NP_001030126 . "sorbin and SH3 domain-containing protein 1 isoform 3 [Homo sapiens]" . . . . . 97.90 1292 100.00 100.00 1.20e-90 . . . . 19955 1 10 no REF NP_001030127 . "sorbin and SH3 domain-containing protein 1 isoform 4 [Homo sapiens]" . . . . . 97.90 1151 100.00 100.00 6.70e-91 . . . . 19955 1 11 no REF NP_001030128 . "sorbin and SH3 domain-containing protein 1 isoform 5 [Homo sapiens]" . . . . . 97.90 905 100.00 100.00 9.08e-92 . . . . 19955 1 12 no REF NP_001277223 . "sorbin and SH3 domain-containing protein 1 isoform 8 [Homo sapiens]" . . . . . 97.90 1266 100.00 100.00 8.45e-91 . . . . 19955 1 13 no REF XP_001501975 . "PREDICTED: sorbin and SH3 domain-containing protein 1 isoformX3 [Equus caballus]" . . . . . 97.90 1291 98.57 99.29 1.17e-89 . . . . 19955 1 14 no SP Q9BX66 . "RecName: Full=Sorbin and SH3 domain-containing protein 1; AltName: Full=Ponsin; AltName: Full=SH3 domain protein 5; AltName: Fu" . . . . . 97.90 1292 100.00 100.00 1.20e-90 . . . . 19955 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 1 788 GLN . 19955 1 2 789 HIS . 19955 1 3 790 MET . 19955 1 4 791 SER . 19955 1 5 792 GLY . 19955 1 6 793 SER . 19955 1 7 794 GLU . 19955 1 8 795 MET . 19955 1 9 796 ARG . 19955 1 10 797 PRO . 19955 1 11 798 ALA . 19955 1 12 799 ARG . 19955 1 13 800 ALA . 19955 1 14 801 LYS . 19955 1 15 802 PHE . 19955 1 16 803 ASP . 19955 1 17 804 PHE . 19955 1 18 805 LYS . 19955 1 19 806 ALA . 19955 1 20 807 GLN . 19955 1 21 808 THR . 19955 1 22 809 LEU . 19955 1 23 810 LYS . 19955 1 24 811 GLU . 19955 1 25 812 LEU . 19955 1 26 813 PRO . 19955 1 27 814 LEU . 19955 1 28 815 GLN . 19955 1 29 816 LYS . 19955 1 30 817 GLY . 19955 1 31 818 ASP . 19955 1 32 819 ILE . 19955 1 33 820 VAL . 19955 1 34 821 TYR . 19955 1 35 822 ILE . 19955 1 36 823 TYR . 19955 1 37 824 LYS . 19955 1 38 825 GLN . 19955 1 39 826 ILE . 19955 1 40 827 ASP . 19955 1 41 828 GLN . 19955 1 42 829 ASN . 19955 1 43 830 TRP . 19955 1 44 831 TYR . 19955 1 45 832 GLU . 19955 1 46 833 GLY . 19955 1 47 834 GLU . 19955 1 48 835 HIS . 19955 1 49 836 HIS . 19955 1 50 837 GLY . 19955 1 51 838 ARG . 19955 1 52 839 VAL . 19955 1 53 840 GLY . 19955 1 54 841 ILE . 19955 1 55 842 PHE . 19955 1 56 843 PRO . 19955 1 57 844 ARG . 19955 1 58 845 THR . 19955 1 59 846 TYR . 19955 1 60 847 ILE . 19955 1 61 848 GLU . 19955 1 62 849 LEU . 19955 1 63 850 LEU . 19955 1 64 851 PRO . 19955 1 65 852 PRO . 19955 1 66 853 ALA . 19955 1 67 854 GLU . 19955 1 68 855 LYS . 19955 1 69 856 ALA . 19955 1 70 857 GLN . 19955 1 71 858 PRO . 19955 1 72 859 LYS . 19955 1 73 860 LYS . 19955 1 74 861 LEU . 19955 1 75 862 THR . 19955 1 76 863 PRO . 19955 1 77 864 VAL . 19955 1 78 865 GLN . 19955 1 79 866 VAL . 19955 1 80 867 LEU . 19955 1 81 868 GLU . 19955 1 82 869 TYR . 19955 1 83 870 GLY . 19955 1 84 871 GLU . 19955 1 85 872 ALA . 19955 1 86 873 ILE . 19955 1 87 874 ALA . 19955 1 88 875 LYS . 19955 1 89 876 PHE . 19955 1 90 877 ASN . 19955 1 91 878 PHE . 19955 1 92 879 ASN . 19955 1 93 880 GLY . 19955 1 94 881 ASP . 19955 1 95 882 THR . 19955 1 96 883 GLN . 19955 1 97 884 VAL . 19955 1 98 885 GLU . 19955 1 99 886 MET . 19955 1 100 887 SER . 19955 1 101 888 PHE . 19955 1 102 889 ARG . 19955 1 103 890 LYS . 19955 1 104 891 GLY . 19955 1 105 892 GLU . 19955 1 106 893 ARG . 19955 1 107 894 ILE . 19955 1 108 895 THR . 19955 1 109 896 LEU . 19955 1 110 897 LEU . 19955 1 111 898 ARG . 19955 1 112 899 GLN . 19955 1 113 900 VAL . 19955 1 114 901 ASP . 19955 1 115 902 GLU . 19955 1 116 903 ASN . 19955 1 117 904 TRP . 19955 1 118 905 TYR . 19955 1 119 906 GLU . 19955 1 120 907 GLY . 19955 1 121 908 ARG . 19955 1 122 909 ILE . 19955 1 123 910 PRO . 19955 1 124 911 GLY . 19955 1 125 912 THR . 19955 1 126 913 SER . 19955 1 127 914 ARG . 19955 1 128 915 GLN . 19955 1 129 916 GLY . 19955 1 130 917 ILE . 19955 1 131 918 PHE . 19955 1 132 919 PRO . 19955 1 133 920 ILE . 19955 1 134 921 THR . 19955 1 135 922 TYR . 19955 1 136 923 VAL . 19955 1 137 924 ASP . 19955 1 138 925 VAL . 19955 1 139 926 ILE . 19955 1 140 927 LYS . 19955 1 141 928 ARG . 19955 1 142 929 PRO . 19955 1 143 930 LEU . 19955 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 . GLN 1 1 19955 1 . HIS 2 2 19955 1 . MET 3 3 19955 1 . SER 4 4 19955 1 . GLY 5 5 19955 1 . SER 6 6 19955 1 . GLU 7 7 19955 1 . MET 8 8 19955 1 . ARG 9 9 19955 1 . PRO 10 10 19955 1 . ALA 11 11 19955 1 . ARG 12 12 19955 1 . ALA 13 13 19955 1 . LYS 14 14 19955 1 . PHE 15 15 19955 1 . ASP 16 16 19955 1 . PHE 17 17 19955 1 . LYS 18 18 19955 1 . ALA 19 19 19955 1 . GLN 20 20 19955 1 . THR 21 21 19955 1 . LEU 22 22 19955 1 . LYS 23 23 19955 1 . GLU 24 24 19955 1 . LEU 25 25 19955 1 . PRO 26 26 19955 1 . LEU 27 27 19955 1 . GLN 28 28 19955 1 . LYS 29 29 19955 1 . GLY 30 30 19955 1 . ASP 31 31 19955 1 . ILE 32 32 19955 1 . VAL 33 33 19955 1 . TYR 34 34 19955 1 . ILE 35 35 19955 1 . TYR 36 36 19955 1 . LYS 37 37 19955 1 . GLN 38 38 19955 1 . ILE 39 39 19955 1 . ASP 40 40 19955 1 . GLN 41 41 19955 1 . ASN 42 42 19955 1 . TRP 43 43 19955 1 . TYR 44 44 19955 1 . GLU 45 45 19955 1 . GLY 46 46 19955 1 . GLU 47 47 19955 1 . HIS 48 48 19955 1 . HIS 49 49 19955 1 . GLY 50 50 19955 1 . ARG 51 51 19955 1 . VAL 52 52 19955 1 . GLY 53 53 19955 1 . ILE 54 54 19955 1 . PHE 55 55 19955 1 . PRO 56 56 19955 1 . ARG 57 57 19955 1 . THR 58 58 19955 1 . TYR 59 59 19955 1 . ILE 60 60 19955 1 . GLU 61 61 19955 1 . LEU 62 62 19955 1 . LEU 63 63 19955 1 . PRO 64 64 19955 1 . PRO 65 65 19955 1 . ALA 66 66 19955 1 . GLU 67 67 19955 1 . LYS 68 68 19955 1 . ALA 69 69 19955 1 . GLN 70 70 19955 1 . PRO 71 71 19955 1 . LYS 72 72 19955 1 . LYS 73 73 19955 1 . LEU 74 74 19955 1 . THR 75 75 19955 1 . PRO 76 76 19955 1 . VAL 77 77 19955 1 . GLN 78 78 19955 1 . VAL 79 79 19955 1 . LEU 80 80 19955 1 . GLU 81 81 19955 1 . TYR 82 82 19955 1 . GLY 83 83 19955 1 . GLU 84 84 19955 1 . ALA 85 85 19955 1 . ILE 86 86 19955 1 . ALA 87 87 19955 1 . LYS 88 88 19955 1 . PHE 89 89 19955 1 . ASN 90 90 19955 1 . PHE 91 91 19955 1 . ASN 92 92 19955 1 . GLY 93 93 19955 1 . ASP 94 94 19955 1 . THR 95 95 19955 1 . GLN 96 96 19955 1 . VAL 97 97 19955 1 . GLU 98 98 19955 1 . MET 99 99 19955 1 . SER 100 100 19955 1 . PHE 101 101 19955 1 . ARG 102 102 19955 1 . LYS 103 103 19955 1 . GLY 104 104 19955 1 . GLU 105 105 19955 1 . ARG 106 106 19955 1 . ILE 107 107 19955 1 . THR 108 108 19955 1 . LEU 109 109 19955 1 . LEU 110 110 19955 1 . ARG 111 111 19955 1 . GLN 112 112 19955 1 . VAL 113 113 19955 1 . ASP 114 114 19955 1 . GLU 115 115 19955 1 . ASN 116 116 19955 1 . TRP 117 117 19955 1 . TYR 118 118 19955 1 . GLU 119 119 19955 1 . GLY 120 120 19955 1 . ARG 121 121 19955 1 . ILE 122 122 19955 1 . PRO 123 123 19955 1 . GLY 124 124 19955 1 . THR 125 125 19955 1 . SER 126 126 19955 1 . ARG 127 127 19955 1 . GLN 128 128 19955 1 . GLY 129 129 19955 1 . ILE 130 130 19955 1 . PHE 131 131 19955 1 . PRO 132 132 19955 1 . ILE 133 133 19955 1 . THR 134 134 19955 1 . TYR 135 135 19955 1 . VAL 136 136 19955 1 . ASP 137 137 19955 1 . VAL 138 138 19955 1 . ILE 139 139 19955 1 . LYS 140 140 19955 1 . ARG 141 141 19955 1 . PRO 142 142 19955 1 . LEU 143 143 19955 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 19955 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19955 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 19955 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 19955 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19955 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19955 1 2 protein '[U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 19955 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19955 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19955 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19955 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19955 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19955 2 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19955 2 3 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 19955 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19955 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19955 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19955 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19955 3 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19955 3 3 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 19955 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19955 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19955 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19955 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' '[U-100% 15N]' . . . . . . 50 . . mM . . . . 19955 4 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19955 4 3 C12E5 'natural abundance' . . . . . . 4.5 . . % . . . . 19955 4 4 protein '[U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 19955 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19955 4 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19955 4 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 19955 _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' 50 . mM 19955 1 pH 6.5 . pH 19955 1 pressure 1 . atm 19955 1 temperature 303 . K 19955 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19955 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19955 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19955 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19955 _Software.ID 2 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19955 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19955 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19955 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19955 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19955 3 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 19955 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 19955 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19955 _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 DMX . 500 . . . 19955 1 2 spectrometer_2 Bruker DMX . 600 . . . 19955 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 19955 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 1 10 'IPAP scheme' no . . . . . . . . . . 4 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19955 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 19955 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19955 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19955 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19955 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 19955 _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 '2D 1H-15N HSQC' . . . 19955 1 2 '3D CBCA(CO)NH' . . . 19955 1 3 '3D HNCO' . . . 19955 1 5 '3D HBHA(CO)NH' . . . 19955 1 6 '3D HN(CO)CA' . . . 19955 1 7 '3D H(CCO)NH' . . . 19955 1 8 '3D 1H-15N NOESY' . . . 19955 1 9 '3D 1H-13C NOESY' . . . 19955 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET HA H 1 4.396 0.006 5 1 . . . A 790 MET HA . 19955 1 2 . 1 1 3 3 MET HB2 H 1 1.845 0.034 4 2 . . . A 790 MET HB2 . 19955 1 3 . 1 1 3 3 MET HB3 H 1 1.845 0.034 4 2 . . . A 790 MET HB3 . 19955 1 4 . 1 1 3 3 MET HG2 H 1 2.372 0.002 2 2 . . . A 790 MET HG2 . 19955 1 5 . 1 1 3 3 MET HG3 H 1 2.372 0.002 2 2 . . . A 790 MET HG3 . 19955 1 6 . 1 1 3 3 MET HE1 H 1 1.027 0.000 1 2 . . . A 790 MET HE1 . 19955 1 7 . 1 1 3 3 MET HE2 H 1 1.027 0.000 1 2 . . . A 790 MET HE2 . 19955 1 8 . 1 1 3 3 MET HE3 H 1 1.027 0.000 1 2 . . . A 790 MET HE3 . 19955 1 9 . 1 1 3 3 MET CA C 13 55.378 0.074 3 1 . . . A 790 MET CA . 19955 1 10 . 1 1 3 3 MET CB C 13 32.960 0.024 2 1 . . . A 790 MET CB . 19955 1 11 . 1 1 4 4 SER H H 1 8.657 0.004 9 1 . . . A 791 SER H . 19955 1 12 . 1 1 4 4 SER HA H 1 4.362 0.002 4 1 . . . A 791 SER HA . 19955 1 13 . 1 1 4 4 SER HB2 H 1 3.809 0.005 3 2 . . . A 791 SER HB2 . 19955 1 14 . 1 1 4 4 SER HB3 H 1 3.809 0.005 3 2 . . . A 791 SER HB3 . 19955 1 15 . 1 1 4 4 SER C C 13 175.043 0.000 1 1 . . . A 791 SER C . 19955 1 16 . 1 1 4 4 SER CA C 13 58.532 0.036 4 1 . . . A 791 SER CA . 19955 1 17 . 1 1 4 4 SER CB C 13 63.749 0.084 3 1 . . . A 791 SER CB . 19955 1 18 . 1 1 4 4 SER N N 15 118.373 0.046 9 1 . . . A 791 SER N . 19955 1 19 . 1 1 5 5 GLY H H 1 8.560 0.006 13 1 . . . A 792 GLY H . 19955 1 20 . 1 1 5 5 GLY HA2 H 1 3.955 0.017 5 2 . . . A 792 GLY HA2 . 19955 1 21 . 1 1 5 5 GLY HA3 H 1 3.955 0.017 5 2 . . . A 792 GLY HA3 . 19955 1 22 . 1 1 5 5 GLY C C 13 174.362 0.005 2 1 . . . A 792 GLY C . 19955 1 23 . 1 1 5 5 GLY CA C 13 45.539 0.130 4 1 . . . A 792 GLY CA . 19955 1 24 . 1 1 5 5 GLY N N 15 111.254 0.039 12 1 . . . A 792 GLY N . 19955 1 25 . 1 1 6 6 SER H H 1 8.102 0.006 13 1 . . . A 793 SER H . 19955 1 26 . 1 1 6 6 SER HA H 1 4.409 0.020 6 1 . . . A 793 SER HA . 19955 1 27 . 1 1 6 6 SER HB2 H 1 3.768 0.013 6 2 . . . A 793 SER HB2 . 19955 1 28 . 1 1 6 6 SER HB3 H 1 3.768 0.013 6 2 . . . A 793 SER HB3 . 19955 1 29 . 1 1 6 6 SER C C 13 174.396 0.015 2 1 . . . A 793 SER C . 19955 1 30 . 1 1 6 6 SER CA C 13 58.485 0.072 4 1 . . . A 793 SER CA . 19955 1 31 . 1 1 6 6 SER CB C 13 63.845 0.117 3 1 . . . A 793 SER CB . 19955 1 32 . 1 1 6 6 SER N N 15 115.369 0.024 12 1 . . . A 793 SER N . 19955 1 33 . 1 1 7 7 GLU H H 1 8.565 0.007 20 1 . . . A 794 GLU H . 19955 1 34 . 1 1 7 7 GLU HA H 1 4.210 0.011 6 1 . . . A 794 GLU HA . 19955 1 35 . 1 1 7 7 GLU HB2 H 1 1.914 0.027 4 1 . . . A 794 GLU HB2 . 19955 1 36 . 1 1 7 7 GLU HB3 H 1 1.914 0.027 4 1 . . . A 794 GLU HB3 . 19955 1 37 . 1 1 7 7 GLU HG2 H 1 2.200 0.003 2 1 . . . A 794 GLU HG2 . 19955 1 38 . 1 1 7 7 GLU HG3 H 1 2.200 0.003 2 1 . . . A 794 GLU HG3 . 19955 1 39 . 1 1 7 7 GLU C C 13 175.970 0.021 3 1 . . . A 794 GLU C . 19955 1 40 . 1 1 7 7 GLU CA C 13 56.849 0.067 4 1 . . . A 794 GLU CA . 19955 1 41 . 1 1 7 7 GLU CB C 13 30.261 0.045 3 1 . . . A 794 GLU CB . 19955 1 42 . 1 1 7 7 GLU CG C 13 36.213 0.000 1 1 . . . A 794 GLU CG . 19955 1 43 . 1 1 7 7 GLU N N 15 122.660 0.039 18 1 . . . A 794 GLU N . 19955 1 44 . 1 1 8 8 MET H H 1 8.156 0.005 22 1 . . . A 795 MET H . 19955 1 45 . 1 1 8 8 MET HA H 1 4.653 0.012 6 1 . . . A 795 MET HA . 19955 1 46 . 1 1 8 8 MET HB2 H 1 1.996 0.004 6 2 . . . A 795 MET HB2 . 19955 1 47 . 1 1 8 8 MET HB3 H 1 1.996 0.004 6 2 . . . A 795 MET HB3 . 19955 1 48 . 1 1 8 8 MET HG2 H 1 2.309 0.109 2 2 . . . A 795 MET HG2 . 19955 1 49 . 1 1 8 8 MET HG3 H 1 2.309 0.109 2 2 . . . A 795 MET HG3 . 19955 1 50 . 1 1 8 8 MET C C 13 175.590 0.009 2 1 . . . A 795 MET C . 19955 1 51 . 1 1 8 8 MET CA C 13 55.135 0.082 4 1 . . . A 795 MET CA . 19955 1 52 . 1 1 8 8 MET CB C 13 32.378 0.227 3 1 . . . A 795 MET CB . 19955 1 53 . 1 1 8 8 MET N N 15 119.544 0.044 21 1 . . . A 795 MET N . 19955 1 54 . 1 1 9 9 ARG H H 1 8.358 0.012 27 1 . . . A 796 ARG H . 19955 1 55 . 1 1 9 9 ARG HA H 1 4.911 0.003 5 1 . . . A 796 ARG HA . 19955 1 56 . 1 1 9 9 ARG HB2 H 1 1.783 0.006 7 2 . . . A 796 ARG HB2 . 19955 1 57 . 1 1 9 9 ARG HB3 H 1 1.783 0.006 7 2 . . . A 796 ARG HB3 . 19955 1 58 . 1 1 9 9 ARG HG2 H 1 1.640 0.000 1 2 . . . A 796 ARG HG2 . 19955 1 59 . 1 1 9 9 ARG HG3 H 1 1.640 0.000 1 2 . . . A 796 ARG HG3 . 19955 1 60 . 1 1 9 9 ARG HD2 H 1 3.141 0.002 3 2 . . . A 796 ARG HD2 . 19955 1 61 . 1 1 9 9 ARG HD3 H 1 3.141 0.002 3 2 . . . A 796 ARG HD3 . 19955 1 62 . 1 1 9 9 ARG C C 13 173.378 0.000 1 1 . . . A 796 ARG C . 19955 1 63 . 1 1 9 9 ARG CA C 13 52.935 0.429 4 1 . . . A 796 ARG CA . 19955 1 64 . 1 1 9 9 ARG CB C 13 32.172 0.022 2 1 . . . A 796 ARG CB . 19955 1 65 . 1 1 9 9 ARG N N 15 122.177 0.097 25 1 . . . A 796 ARG N . 19955 1 66 . 1 1 10 10 PRO HA H 1 4.696 0.006 10 1 . . . A 797 PRO HA . 19955 1 67 . 1 1 10 10 PRO HB2 H 1 1.949 0.007 7 1 . . . A 797 PRO HB2 . 19955 1 68 . 1 1 10 10 PRO HB3 H 1 1.689 0.006 5 1 . . . A 797 PRO HB3 . 19955 1 69 . 1 1 10 10 PRO HG2 H 1 1.992 0.000 1 2 . . . A 797 PRO HG2 . 19955 1 70 . 1 1 10 10 PRO HG3 H 1 1.992 0.000 1 3 . . . A 797 PRO HG3 . 19955 1 71 . 1 1 10 10 PRO HD2 H 1 3.731 0.001 3 1 . . . A 797 PRO HD2 . 19955 1 72 . 1 1 10 10 PRO HD3 H 1 3.509 0.004 3 1 . . . A 797 PRO HD3 . 19955 1 73 . 1 1 10 10 PRO C C 13 175.805 0.001 2 1 . . . A 797 PRO C . 19955 1 74 . 1 1 10 10 PRO CA C 13 62.157 0.030 6 1 . . . A 797 PRO CA . 19955 1 75 . 1 1 10 10 PRO CB C 13 32.377 0.037 5 1 . . . A 797 PRO CB . 19955 1 76 . 1 1 10 10 PRO CG C 13 27.306 0.000 1 1 . . . A 797 PRO CG . 19955 1 77 . 1 1 10 10 PRO CD C 13 50.802 0.000 1 1 . . . A 797 PRO CD . 19955 1 78 . 1 1 11 11 ALA H H 1 8.820 0.006 36 1 . . . A 798 ALA H . 19955 1 79 . 1 1 11 11 ALA HA H 1 4.699 0.008 14 1 . . . A 798 ALA HA . 19955 1 80 . 1 1 11 11 ALA HB1 H 1 1.045 0.004 18 2 . . . A 798 ALA HB1 . 19955 1 81 . 1 1 11 11 ALA HB2 H 1 1.045 0.004 18 2 . . . A 798 ALA HB2 . 19955 1 82 . 1 1 11 11 ALA HB3 H 1 1.045 0.004 18 2 . . . A 798 ALA HB3 . 19955 1 83 . 1 1 11 11 ALA C C 13 173.534 0.016 3 1 . . . A 798 ALA C . 19955 1 84 . 1 1 11 11 ALA CA C 13 50.823 0.043 6 1 . . . A 798 ALA CA . 19955 1 85 . 1 1 11 11 ALA CB C 13 23.723 0.064 8 1 . . . A 798 ALA CB . 19955 1 86 . 1 1 11 11 ALA N N 15 123.383 0.057 35 1 . . . A 798 ALA N . 19955 1 87 . 1 1 12 12 ARG H H 1 8.803 0.006 36 1 . . . A 799 ARG H . 19955 1 88 . 1 1 12 12 ARG HA H 1 5.341 0.004 19 1 . . . A 799 ARG HA . 19955 1 89 . 1 1 12 12 ARG HB2 H 1 1.600 0.012 6 1 . . . A 799 ARG HB2 . 19955 1 90 . 1 1 12 12 ARG HB3 H 1 1.352 0.010 3 1 . . . A 799 ARG HB3 . 19955 1 91 . 1 1 12 12 ARG HG2 H 1 1.292 0.011 7 2 . . . A 799 ARG HG2 . 19955 1 92 . 1 1 12 12 ARG HG3 H 1 1.292 0.011 7 2 . . . A 799 ARG HG3 . 19955 1 93 . 1 1 12 12 ARG HD2 H 1 3.058 0.008 8 2 . . . A 799 ARG HD2 . 19955 1 94 . 1 1 12 12 ARG HD3 H 1 3.058 0.008 8 2 . . . A 799 ARG HD3 . 19955 1 95 . 1 1 12 12 ARG C C 13 176.215 0.012 3 1 . . . A 799 ARG C . 19955 1 96 . 1 1 12 12 ARG CA C 13 53.122 0.056 12 1 . . . A 799 ARG CA . 19955 1 97 . 1 1 12 12 ARG CB C 13 34.439 0.088 5 1 . . . A 799 ARG CB . 19955 1 98 . 1 1 12 12 ARG CG C 13 26.668 0.000 1 1 . . . A 799 ARG CG . 19955 1 99 . 1 1 12 12 ARG CD C 13 43.419 0.044 3 1 . . . A 799 ARG CD . 19955 1 100 . 1 1 12 12 ARG N N 15 118.968 0.043 32 1 . . . A 799 ARG N . 19955 1 101 . 1 1 13 13 ALA H H 1 9.037 0.008 41 1 . . . A 800 ALA H . 19955 1 102 . 1 1 13 13 ALA HA H 1 4.537 0.005 14 1 . . . A 800 ALA HA . 19955 1 103 . 1 1 13 13 ALA HB1 H 1 1.311 0.007 14 2 . . . A 800 ALA HB1 . 19955 1 104 . 1 1 13 13 ALA HB2 H 1 1.311 0.007 14 2 . . . A 800 ALA HB2 . 19955 1 105 . 1 1 13 13 ALA HB3 H 1 1.311 0.007 14 2 . . . A 800 ALA HB3 . 19955 1 106 . 1 1 13 13 ALA C C 13 178.146 0.034 3 1 . . . A 800 ALA C . 19955 1 107 . 1 1 13 13 ALA CA C 13 52.208 0.116 8 1 . . . A 800 ALA CA . 19955 1 108 . 1 1 13 13 ALA CB C 13 18.654 0.062 11 1 . . . A 800 ALA CB . 19955 1 109 . 1 1 13 13 ALA N N 15 128.073 0.050 37 1 . . . A 800 ALA N . 19955 1 110 . 1 1 14 14 LYS H H 1 9.291 0.004 32 1 . . . A 801 LYS H . 19955 1 111 . 1 1 14 14 LYS HA H 1 3.758 0.004 10 1 . . . A 801 LYS HA . 19955 1 112 . 1 1 14 14 LYS HB2 H 1 0.856 0.009 7 1 . . . A 801 LYS HB2 . 19955 1 113 . 1 1 14 14 LYS HB3 H 1 0.718 0.008 6 1 . . . A 801 LYS HB3 . 19955 1 114 . 1 1 14 14 LYS HG2 H 1 0.860 0.002 3 2 . . . A 801 LYS HG2 . 19955 1 115 . 1 1 14 14 LYS HG3 H 1 0.860 0.002 3 2 . . . A 801 LYS HG3 . 19955 1 116 . 1 1 14 14 LYS HD2 H 1 1.296 0.005 4 2 . . . A 801 LYS HD2 . 19955 1 117 . 1 1 14 14 LYS HD3 H 1 1.296 0.005 4 2 . . . A 801 LYS HD3 . 19955 1 118 . 1 1 14 14 LYS HE2 H 1 2.604 0.004 5 2 . . . A 801 LYS HE2 . 19955 1 119 . 1 1 14 14 LYS HE3 H 1 2.604 0.004 5 2 . . . A 801 LYS HE3 . 19955 1 120 . 1 1 14 14 LYS C C 13 174.213 0.027 3 1 . . . A 801 LYS C . 19955 1 121 . 1 1 14 14 LYS CA C 13 57.344 0.072 7 1 . . . A 801 LYS CA . 19955 1 122 . 1 1 14 14 LYS CB C 13 33.647 0.045 5 1 . . . A 801 LYS CB . 19955 1 123 . 1 1 14 14 LYS CG C 13 24.534 0.000 1 1 . . . A 801 LYS CG . 19955 1 124 . 1 1 14 14 LYS CD C 13 29.321 0.000 1 1 . . . A 801 LYS CD . 19955 1 125 . 1 1 14 14 LYS CE C 13 41.326 0.000 1 1 . . . A 801 LYS CE . 19955 1 126 . 1 1 14 14 LYS N N 15 127.334 0.061 28 1 . . . A 801 LYS N . 19955 1 127 . 1 1 15 15 PHE H H 1 7.069 0.005 50 1 . . . A 802 PHE H . 19955 1 128 . 1 1 15 15 PHE HA H 1 4.741 0.004 18 1 . . . A 802 PHE HA . 19955 1 129 . 1 1 15 15 PHE HB2 H 1 3.267 0.006 7 1 . . . A 802 PHE HB2 . 19955 1 130 . 1 1 15 15 PHE HB3 H 1 2.432 0.004 8 1 . . . A 802 PHE HB3 . 19955 1 131 . 1 1 15 15 PHE HD1 H 1 7.014 0.016 3 3 . . . A 802 PHE HD1 . 19955 1 132 . 1 1 15 15 PHE HD2 H 1 7.014 0.016 3 3 . . . A 802 PHE HD2 . 19955 1 133 . 1 1 15 15 PHE HE1 H 1 6.530 0.088 3 3 . . . A 802 PHE HE1 . 19955 1 134 . 1 1 15 15 PHE HE2 H 1 6.530 0.088 3 3 . . . A 802 PHE HE2 . 19955 1 135 . 1 1 15 15 PHE C C 13 173.408 0.012 3 1 . . . A 802 PHE C . 19955 1 136 . 1 1 15 15 PHE CA C 13 53.369 0.072 10 1 . . . A 802 PHE CA . 19955 1 137 . 1 1 15 15 PHE CB C 13 43.242 0.081 9 1 . . . A 802 PHE CB . 19955 1 138 . 1 1 15 15 PHE N N 15 111.696 0.067 45 1 . . . A 802 PHE N . 19955 1 139 . 1 1 16 16 ASP H H 1 8.339 0.004 35 1 . . . A 803 ASP H . 19955 1 140 . 1 1 16 16 ASP HA H 1 4.524 0.009 9 1 . . . A 803 ASP HA . 19955 1 141 . 1 1 16 16 ASP HB2 H 1 2.595 0.024 8 2 . . . A 803 ASP HB2 . 19955 1 142 . 1 1 16 16 ASP HB3 H 1 2.595 0.024 8 2 . . . A 803 ASP HB3 . 19955 1 143 . 1 1 16 16 ASP C C 13 175.782 0.004 3 1 . . . A 803 ASP C . 19955 1 144 . 1 1 16 16 ASP CA C 13 54.726 0.093 4 1 . . . A 803 ASP CA . 19955 1 145 . 1 1 16 16 ASP CB C 13 41.154 0.047 6 1 . . . A 803 ASP CB . 19955 1 146 . 1 1 16 16 ASP N N 15 117.498 0.052 31 1 . . . A 803 ASP N . 19955 1 147 . 1 1 17 17 PHE H H 1 9.223 0.006 41 1 . . . A 804 PHE H . 19955 1 148 . 1 1 17 17 PHE HA H 1 4.992 0.004 9 1 . . . A 804 PHE HA . 19955 1 149 . 1 1 17 17 PHE HB2 H 1 2.963 0.006 6 1 . . . A 804 PHE HB2 . 19955 1 150 . 1 1 17 17 PHE HB3 H 1 2.755 0.005 8 1 . . . A 804 PHE HB3 . 19955 1 151 . 1 1 17 17 PHE HD1 H 1 7.241 0.006 3 3 . . . A 804 PHE HD1 . 19955 1 152 . 1 1 17 17 PHE HD2 H 1 7.241 0.006 3 3 . . . A 804 PHE HD2 . 19955 1 153 . 1 1 17 17 PHE HE1 H 1 7.082 0.018 4 3 . . . A 804 PHE HE1 . 19955 1 154 . 1 1 17 17 PHE HE2 H 1 7.082 0.018 4 3 . . . A 804 PHE HE2 . 19955 1 155 . 1 1 17 17 PHE C C 13 173.750 0.008 2 1 . . . A 804 PHE C . 19955 1 156 . 1 1 17 17 PHE CA C 13 56.221 0.060 6 1 . . . A 804 PHE CA . 19955 1 157 . 1 1 17 17 PHE CB C 13 42.132 0.076 7 1 . . . A 804 PHE CB . 19955 1 158 . 1 1 17 17 PHE N N 15 123.264 0.047 35 1 . . . A 804 PHE N . 19955 1 159 . 1 1 18 18 LYS H H 1 8.125 0.005 30 1 . . . A 805 LYS H . 19955 1 160 . 1 1 18 18 LYS HA H 1 4.121 0.010 12 1 . . . A 805 LYS HA . 19955 1 161 . 1 1 18 18 LYS HB2 H 1 1.514 0.005 5 2 . . . A 805 LYS HB2 . 19955 1 162 . 1 1 18 18 LYS HB3 H 1 1.514 0.005 5 2 . . . A 805 LYS HB3 . 19955 1 163 . 1 1 18 18 LYS HG2 H 1 1.296 0.010 5 1 . . . A 805 LYS HG2 . 19955 1 164 . 1 1 18 18 LYS HG3 H 1 1.145 0.009 4 1 . . . A 805 LYS HG3 . 19955 1 165 . 1 1 18 18 LYS HD2 H 1 1.552 0.012 2 2 . . . A 805 LYS HD2 . 19955 1 166 . 1 1 18 18 LYS HD3 H 1 1.552 0.012 2 2 . . . A 805 LYS HD3 . 19955 1 167 . 1 1 18 18 LYS HE2 H 1 2.901 0.000 2 2 . . . A 805 LYS HE2 . 19955 1 168 . 1 1 18 18 LYS HE3 H 1 2.901 0.000 2 2 . . . A 805 LYS HE3 . 19955 1 169 . 1 1 18 18 LYS C C 13 174.042 0.005 3 1 . . . A 805 LYS C . 19955 1 170 . 1 1 18 18 LYS CA C 13 54.368 0.070 9 1 . . . A 805 LYS CA . 19955 1 171 . 1 1 18 18 LYS CB C 13 31.781 0.098 5 1 . . . A 805 LYS CB . 19955 1 172 . 1 1 18 18 LYS CG C 13 24.092 0.000 1 1 . . . A 805 LYS CG . 19955 1 173 . 1 1 18 18 LYS CD C 13 29.226 0.000 1 1 . . . A 805 LYS CD . 19955 1 174 . 1 1 18 18 LYS CE C 13 41.676 0.000 1 1 . . . A 805 LYS CE . 19955 1 175 . 1 1 18 18 LYS N N 15 129.548 0.043 27 1 . . . A 805 LYS N . 19955 1 176 . 1 1 19 19 ALA H H 1 7.291 0.013 43 1 . . . A 806 ALA H . 19955 1 177 . 1 1 19 19 ALA HA H 1 3.882 0.003 10 1 . . . A 806 ALA HA . 19955 1 178 . 1 1 19 19 ALA HB1 H 1 1.126 0.003 10 2 . . . A 806 ALA HB1 . 19955 1 179 . 1 1 19 19 ALA HB2 H 1 1.126 0.003 10 2 . . . A 806 ALA HB2 . 19955 1 180 . 1 1 19 19 ALA HB3 H 1 1.126 0.003 10 2 . . . A 806 ALA HB3 . 19955 1 181 . 1 1 19 19 ALA C C 13 178.066 0.009 3 1 . . . A 806 ALA C . 19955 1 182 . 1 1 19 19 ALA CA C 13 51.598 0.151 7 1 . . . A 806 ALA CA . 19955 1 183 . 1 1 19 19 ALA CB C 13 20.505 0.060 8 1 . . . A 806 ALA CB . 19955 1 184 . 1 1 19 19 ALA N N 15 127.231 0.048 38 1 . . . A 806 ALA N . 19955 1 185 . 1 1 20 20 GLN H H 1 9.375 0.005 29 1 . . . A 807 GLN H . 19955 1 186 . 1 1 20 20 GLN HA H 1 4.326 0.005 7 1 . . . A 807 GLN HA . 19955 1 187 . 1 1 20 20 GLN HB2 H 1 2.120 0.018 5 1 . . . A 807 GLN HB2 . 19955 1 188 . 1 1 20 20 GLN HB3 H 1 2.178 0.000 2 1 . . . A 807 GLN HB3 . 19955 1 189 . 1 1 20 20 GLN HG2 H 1 2.394 0.011 4 1 . . . A 807 GLN HG2 . 19955 1 190 . 1 1 20 20 GLN HG3 H 1 2.239 0.000 1 1 . . . A 807 GLN HG3 . 19955 1 191 . 1 1 20 20 GLN C C 13 175.927 0.005 3 1 . . . A 807 GLN C . 19955 1 192 . 1 1 20 20 GLN CA C 13 56.206 0.046 5 1 . . . A 807 GLN CA . 19955 1 193 . 1 1 20 20 GLN CB C 13 30.942 0.166 4 1 . . . A 807 GLN CB . 19955 1 194 . 1 1 20 20 GLN CG C 13 34.217 0.000 1 1 . . . A 807 GLN CG . 19955 1 195 . 1 1 20 20 GLN N N 15 121.482 0.037 25 1 . . . A 807 GLN N . 19955 1 196 . 1 1 21 21 THR H H 1 7.472 0.007 32 1 . . . A 808 THR H . 19955 1 197 . 1 1 21 21 THR HA H 1 4.661 0.009 5 1 . . . A 808 THR HA . 19955 1 198 . 1 1 21 21 THR HB H 1 4.395 0.008 6 1 . . . A 808 THR HB . 19955 1 199 . 1 1 21 21 THR HG21 H 1 1.105 0.004 9 2 . . . A 808 THR HG21 . 19955 1 200 . 1 1 21 21 THR HG22 H 1 1.105 0.004 9 2 . . . A 808 THR HG22 . 19955 1 201 . 1 1 21 21 THR HG23 H 1 1.105 0.004 9 2 . . . A 808 THR HG23 . 19955 1 202 . 1 1 21 21 THR C C 13 175.262 0.009 2 1 . . . A 808 THR C . 19955 1 203 . 1 1 21 21 THR CA C 13 59.313 0.052 3 1 . . . A 808 THR CA . 19955 1 204 . 1 1 21 21 THR CB C 13 71.810 0.049 4 1 . . . A 808 THR CB . 19955 1 205 . 1 1 21 21 THR CG2 C 13 20.959 0.058 3 1 . . . A 808 THR CG2 . 19955 1 206 . 1 1 21 21 THR N N 15 108.842 0.044 29 1 . . . A 808 THR N . 19955 1 207 . 1 1 22 22 LEU H H 1 8.387 0.005 15 1 . . . A 809 LEU H . 19955 1 208 . 1 1 22 22 LEU HA H 1 4.200 0.003 6 1 . . . A 809 LEU HA . 19955 1 209 . 1 1 22 22 LEU HB2 H 1 1.627 0.032 3 2 . . . A 809 LEU HB2 . 19955 1 210 . 1 1 22 22 LEU HB3 H 1 1.627 0.032 3 2 . . . A 809 LEU HB3 . 19955 1 211 . 1 1 22 22 LEU HG H 1 1.569 0.000 1 1 . . . A 809 LEU HG . 19955 1 212 . 1 1 22 22 LEU HD11 H 1 0.857 0.013 8 2 . . . A 809 LEU HD11 . 19955 1 213 . 1 1 22 22 LEU HD12 H 1 0.857 0.013 8 2 . . . A 809 LEU HD12 . 19955 1 214 . 1 1 22 22 LEU HD13 H 1 0.857 0.013 8 2 . . . A 809 LEU HD13 . 19955 1 215 . 1 1 22 22 LEU HD21 H 1 0.857 0.013 8 2 . . . A 809 LEU HD21 . 19955 1 216 . 1 1 22 22 LEU HD22 H 1 0.857 0.013 8 2 . . . A 809 LEU HD22 . 19955 1 217 . 1 1 22 22 LEU HD23 H 1 0.857 0.013 8 2 . . . A 809 LEU HD23 . 19955 1 218 . 1 1 22 22 LEU C C 13 177.895 0.035 3 1 . . . A 809 LEU C . 19955 1 219 . 1 1 22 22 LEU CA C 13 57.087 0.083 5 1 . . . A 809 LEU CA . 19955 1 220 . 1 1 22 22 LEU CB C 13 41.901 0.144 6 1 . . . A 809 LEU CB . 19955 1 221 . 1 1 22 22 LEU CG C 13 27.256 0.000 1 1 . . . A 809 LEU CG . 19955 1 222 . 1 1 22 22 LEU CD1 C 13 24.472 0.000 1 1 . . . A 809 LEU CD1 . 19955 1 223 . 1 1 22 22 LEU CD2 C 13 23.223 0.140 2 1 . . . A 809 LEU CD2 . 19955 1 224 . 1 1 22 22 LEU N N 15 119.518 0.038 13 1 . . . A 809 LEU N . 19955 1 225 . 1 1 23 23 LYS H H 1 7.707 0.005 33 1 . . . A 810 LYS H . 19955 1 226 . 1 1 23 23 LYS HA H 1 4.230 0.005 7 1 . . . A 810 LYS HA . 19955 1 227 . 1 1 23 23 LYS HB2 H 1 1.684 0.007 5 2 . . . A 810 LYS HB2 . 19955 1 228 . 1 1 23 23 LYS HB3 H 1 1.684 0.007 5 2 . . . A 810 LYS HB3 . 19955 1 229 . 1 1 23 23 LYS HG2 H 1 1.357 0.006 5 2 . . . A 810 LYS HG2 . 19955 1 230 . 1 1 23 23 LYS HG3 H 1 1.357 0.006 5 2 . . . A 810 LYS HG3 . 19955 1 231 . 1 1 23 23 LYS HD2 H 1 1.538 0.004 5 2 . . . A 810 LYS HD2 . 19955 1 232 . 1 1 23 23 LYS HD3 H 1 1.538 0.004 5 2 . . . A 810 LYS HD3 . 19955 1 233 . 1 1 23 23 LYS HE2 H 1 2.821 0.004 5 2 . . . A 810 LYS HE2 . 19955 1 234 . 1 1 23 23 LYS HE3 H 1 2.821 0.004 5 2 . . . A 810 LYS HE3 . 19955 1 235 . 1 1 23 23 LYS C C 13 177.172 0.011 3 1 . . . A 810 LYS C . 19955 1 236 . 1 1 23 23 LYS CA C 13 56.807 0.071 5 1 . . . A 810 LYS CA . 19955 1 237 . 1 1 23 23 LYS CB C 13 33.059 0.056 4 1 . . . A 810 LYS CB . 19955 1 238 . 1 1 23 23 LYS CG C 13 24.717 0.000 1 1 . . . A 810 LYS CG . 19955 1 239 . 1 1 23 23 LYS CD C 13 28.737 0.113 4 1 . . . A 810 LYS CD . 19955 1 240 . 1 1 23 23 LYS CE C 13 42.099 0.001 2 1 . . . A 810 LYS CE . 19955 1 241 . 1 1 23 23 LYS N N 15 115.587 0.047 31 1 . . . A 810 LYS N . 19955 1 242 . 1 1 24 24 GLU H H 1 7.244 0.007 42 1 . . . A 811 GLU H . 19955 1 243 . 1 1 24 24 GLU HA H 1 4.699 0.011 12 1 . . . A 811 GLU HA . 19955 1 244 . 1 1 24 24 GLU HB2 H 1 2.181 0.014 5 2 . . . A 811 GLU HB2 . 19955 1 245 . 1 1 24 24 GLU HB3 H 1 2.181 0.014 5 2 . . . A 811 GLU HB3 . 19955 1 246 . 1 1 24 24 GLU HG2 H 1 2.245 0.011 4 1 . . . A 811 GLU HG2 . 19955 1 247 . 1 1 24 24 GLU HG3 H 1 2.122 0.000 1 1 . . . A 811 GLU HG3 . 19955 1 248 . 1 1 24 24 GLU C C 13 174.240 0.002 3 1 . . . A 811 GLU C . 19955 1 249 . 1 1 24 24 GLU CA C 13 55.419 0.056 6 1 . . . A 811 GLU CA . 19955 1 250 . 1 1 24 24 GLU CB C 13 32.354 0.063 4 1 . . . A 811 GLU CB . 19955 1 251 . 1 1 24 24 GLU CG C 13 37.116 0.000 1 1 . . . A 811 GLU CG . 19955 1 252 . 1 1 24 24 GLU N N 15 119.522 0.023 37 1 . . . A 811 GLU N . 19955 1 253 . 1 1 25 25 LEU H H 1 9.168 0.006 28 1 . . . A 812 LEU H . 19955 1 254 . 1 1 25 25 LEU HB2 H 1 1.982 0.004 2 2 . . . A 812 LEU HB2 . 19955 1 255 . 1 1 25 25 LEU HB3 H 1 1.982 0.004 2 2 . . . A 812 LEU HB3 . 19955 1 256 . 1 1 25 25 LEU HD11 H 1 0.323 0.000 1 2 . . . A 812 LEU HD11 . 19955 1 257 . 1 1 25 25 LEU HD12 H 1 0.323 0.000 1 2 . . . A 812 LEU HD12 . 19955 1 258 . 1 1 25 25 LEU HD13 H 1 0.323 0.000 1 2 . . . A 812 LEU HD13 . 19955 1 259 . 1 1 25 25 LEU HD21 H 1 0.323 0.000 1 2 . . . A 812 LEU HD21 . 19955 1 260 . 1 1 25 25 LEU HD22 H 1 0.323 0.000 1 2 . . . A 812 LEU HD22 . 19955 1 261 . 1 1 25 25 LEU HD23 H 1 0.323 0.000 1 2 . . . A 812 LEU HD23 . 19955 1 262 . 1 1 25 25 LEU C C 13 172.269 0.000 1 1 . . . A 812 LEU C . 19955 1 263 . 1 1 25 25 LEU CA C 13 50.511 0.000 1 1 . . . A 812 LEU CA . 19955 1 264 . 1 1 25 25 LEU CB C 13 45.092 0.000 1 1 . . . A 812 LEU CB . 19955 1 265 . 1 1 25 25 LEU N N 15 126.910 0.048 25 1 . . . A 812 LEU N . 19955 1 266 . 1 1 26 26 PRO HA H 1 4.437 0.003 12 1 . . . A 813 PRO HA . 19955 1 267 . 1 1 26 26 PRO HB2 H 1 2.261 0.015 10 1 . . . A 813 PRO HB2 . 19955 1 268 . 1 1 26 26 PRO HB3 H 1 1.900 0.007 3 1 . . . A 813 PRO HB3 . 19955 1 269 . 1 1 26 26 PRO HG2 H 1 1.926 0.008 4 2 . . . A 813 PRO HG2 . 19955 1 270 . 1 1 26 26 PRO HG3 H 1 1.926 0.008 4 2 . . . A 813 PRO HG3 . 19955 1 271 . 1 1 26 26 PRO HD2 H 1 3.982 0.008 2 1 . . . A 813 PRO HD2 . 19955 1 272 . 1 1 26 26 PRO HD3 H 1 3.661 0.017 4 1 . . . A 813 PRO HD3 . 19955 1 273 . 1 1 26 26 PRO C C 13 176.755 0.024 2 1 . . . A 813 PRO C . 19955 1 274 . 1 1 26 26 PRO CA C 13 62.546 0.120 7 1 . . . A 813 PRO CA . 19955 1 275 . 1 1 26 26 PRO CB C 13 31.975 0.183 5 1 . . . A 813 PRO CB . 19955 1 276 . 1 1 26 26 PRO CG C 13 27.011 0.001 2 1 . . . A 813 PRO CG . 19955 1 277 . 1 1 26 26 PRO CD C 13 49.893 0.000 1 1 . . . A 813 PRO CD . 19955 1 278 . 1 1 27 27 LEU H H 1 8.532 0.009 40 1 . . . A 814 LEU H . 19955 1 279 . 1 1 27 27 LEU HA H 1 4.646 0.011 10 1 . . . A 814 LEU HA . 19955 1 280 . 1 1 27 27 LEU HB2 H 1 1.718 0.008 10 1 . . . A 814 LEU HB2 . 19955 1 281 . 1 1 27 27 LEU HB3 H 1 1.016 0.006 9 1 . . . A 814 LEU HB3 . 19955 1 282 . 1 1 27 27 LEU HG H 1 1.828 0.006 5 1 . . . A 814 LEU HG . 19955 1 283 . 1 1 27 27 LEU HD11 H 1 0.216 0.010 20 2 . . . A 814 LEU HD11 . 19955 1 284 . 1 1 27 27 LEU HD12 H 1 0.216 0.010 20 2 . . . A 814 LEU HD12 . 19955 1 285 . 1 1 27 27 LEU HD13 H 1 0.216 0.010 20 2 . . . A 814 LEU HD13 . 19955 1 286 . 1 1 27 27 LEU HD21 H 1 0.216 0.010 20 2 . . . A 814 LEU HD21 . 19955 1 287 . 1 1 27 27 LEU HD22 H 1 0.216 0.010 20 2 . . . A 814 LEU HD22 . 19955 1 288 . 1 1 27 27 LEU HD23 H 1 0.216 0.010 20 2 . . . A 814 LEU HD23 . 19955 1 289 . 1 1 27 27 LEU C C 13 176.452 0.012 3 1 . . . A 814 LEU C . 19955 1 290 . 1 1 27 27 LEU CA C 13 53.391 0.056 7 1 . . . A 814 LEU CA . 19955 1 291 . 1 1 27 27 LEU CB C 13 46.896 0.104 8 1 . . . A 814 LEU CB . 19955 1 292 . 1 1 27 27 LEU CG C 13 25.269 0.001 3 1 . . . A 814 LEU CG . 19955 1 293 . 1 1 27 27 LEU CD2 C 13 23.267 0.039 11 2 . . . A 814 LEU CD2 . 19955 1 294 . 1 1 27 27 LEU N N 15 118.726 0.056 36 1 . . . A 814 LEU N . 19955 1 295 . 1 1 28 28 GLN H H 1 8.938 0.010 32 1 . . . A 815 GLN H . 19955 1 296 . 1 1 28 28 GLN HA H 1 4.751 0.008 12 1 . . . A 815 GLN HA . 19955 1 297 . 1 1 28 28 GLN HB2 H 1 1.869 0.009 10 2 . . . A 815 GLN HB2 . 19955 1 298 . 1 1 28 28 GLN HB3 H 1 1.869 0.009 10 2 . . . A 815 GLN HB3 . 19955 1 299 . 1 1 28 28 GLN HG2 H 1 2.282 0.016 8 2 . . . A 815 GLN HG2 . 19955 1 300 . 1 1 28 28 GLN HG3 H 1 2.282 0.016 8 2 . . . A 815 GLN HG3 . 19955 1 301 . 1 1 28 28 GLN C C 13 174.820 0.020 3 1 . . . A 815 GLN C . 19955 1 302 . 1 1 28 28 GLN CA C 13 53.336 0.049 7 1 . . . A 815 GLN CA . 19955 1 303 . 1 1 28 28 GLN CB C 13 31.094 0.079 4 1 . . . A 815 GLN CB . 19955 1 304 . 1 1 28 28 GLN CG C 13 34.774 0.071 5 1 . . . A 815 GLN CG . 19955 1 305 . 1 1 28 28 GLN N N 15 123.473 0.098 29 1 . . . A 815 GLN N . 19955 1 306 . 1 1 29 29 LYS H H 1 8.888 0.005 32 1 . . . A 816 LYS H . 19955 1 307 . 1 1 29 29 LYS HA H 1 3.115 0.006 17 1 . . . A 816 LYS HA . 19955 1 308 . 1 1 29 29 LYS HB2 H 1 1.568 0.018 6 1 . . . A 816 LYS HB2 . 19955 1 309 . 1 1 29 29 LYS HB3 H 1 1.454 0.007 9 1 . . . A 816 LYS HB3 . 19955 1 310 . 1 1 29 29 LYS HG2 H 1 1.070 0.016 10 2 . . . A 816 LYS HG2 . 19955 1 311 . 1 1 29 29 LYS HG3 H 1 1.070 0.016 10 2 . . . A 816 LYS HG3 . 19955 1 312 . 1 1 29 29 LYS HD2 H 1 1.583 0.007 10 2 . . . A 816 LYS HD2 . 19955 1 313 . 1 1 29 29 LYS HD3 H 1 1.583 0.007 10 2 . . . A 816 LYS HD3 . 19955 1 314 . 1 1 29 29 LYS HE2 H 1 2.904 0.009 9 2 . . . A 816 LYS HE2 . 19955 1 315 . 1 1 29 29 LYS HE3 H 1 2.904 0.009 9 2 . . . A 816 LYS HE3 . 19955 1 316 . 1 1 29 29 LYS C C 13 177.030 0.013 3 1 . . . A 816 LYS C . 19955 1 317 . 1 1 29 29 LYS CA C 13 58.676 0.036 11 1 . . . A 816 LYS CA . 19955 1 318 . 1 1 29 29 LYS CB C 13 32.242 0.077 10 1 . . . A 816 LYS CB . 19955 1 319 . 1 1 29 29 LYS CG C 13 23.979 0.001 3 1 . . . A 816 LYS CG . 19955 1 320 . 1 1 29 29 LYS CD C 13 29.364 0.167 2 1 . . . A 816 LYS CD . 19955 1 321 . 1 1 29 29 LYS CE C 13 41.728 0.053 4 1 . . . A 816 LYS CE . 19955 1 322 . 1 1 29 29 LYS N N 15 122.982 0.058 30 1 . . . A 816 LYS N . 19955 1 323 . 1 1 30 30 GLY H H 1 8.870 0.006 37 1 . . . A 817 GLY H . 19955 1 324 . 1 1 30 30 GLY HA2 H 1 4.407 0.002 5 1 . . . A 817 GLY HA2 . 19955 1 325 . 1 1 30 30 GLY HA3 H 1 3.294 0.004 8 1 . . . A 817 GLY HA3 . 19955 1 326 . 1 1 30 30 GLY C C 13 174.271 0.009 3 1 . . . A 817 GLY C . 19955 1 327 . 1 1 30 30 GLY CA C 13 44.661 0.075 7 1 . . . A 817 GLY CA . 19955 1 328 . 1 1 30 30 GLY N N 15 115.370 0.038 34 1 . . . A 817 GLY N . 19955 1 329 . 1 1 31 31 ASP H H 1 8.468 0.005 26 1 . . . A 818 ASP H . 19955 1 330 . 1 1 31 31 ASP HA H 1 4.329 0.031 8 1 . . . A 818 ASP HA . 19955 1 331 . 1 1 31 31 ASP HB2 H 1 2.355 0.010 11 1 . . . A 818 ASP HB2 . 19955 1 332 . 1 1 31 31 ASP HB3 H 1 1.704 0.025 6 1 . . . A 818 ASP HB3 . 19955 1 333 . 1 1 31 31 ASP C C 13 175.076 0.019 2 1 . . . A 818 ASP C . 19955 1 334 . 1 1 31 31 ASP CA C 13 55.595 0.042 7 1 . . . A 818 ASP CA . 19955 1 335 . 1 1 31 31 ASP CB C 13 41.538 0.027 6 1 . . . A 818 ASP CB . 19955 1 336 . 1 1 31 31 ASP N N 15 123.102 0.060 22 1 . . . A 818 ASP N . 19955 1 337 . 1 1 32 32 ILE H H 1 8.286 0.012 19 1 . . . A 819 ILE H . 19955 1 338 . 1 1 32 32 ILE HA H 1 4.820 0.005 17 1 . . . A 819 ILE HA . 19955 1 339 . 1 1 32 32 ILE HB H 1 1.866 0.006 13 1 . . . A 819 ILE HB . 19955 1 340 . 1 1 32 32 ILE HG12 H 1 1.473 0.009 10 1 . . . A 819 ILE HG12 . 19955 1 341 . 1 1 32 32 ILE HG13 H 1 1.320 0.007 10 1 . . . A 819 ILE HG13 . 19955 1 342 . 1 1 32 32 ILE HG21 H 1 0.599 0.007 15 2 . . . A 819 ILE HG21 . 19955 1 343 . 1 1 32 32 ILE HG22 H 1 0.599 0.007 15 2 . . . A 819 ILE HG22 . 19955 1 344 . 1 1 32 32 ILE HG23 H 1 0.599 0.007 15 2 . . . A 819 ILE HG23 . 19955 1 345 . 1 1 32 32 ILE HD11 H 1 0.686 0.005 11 2 . . . A 819 ILE HD11 . 19955 1 346 . 1 1 32 32 ILE HD12 H 1 0.686 0.005 11 2 . . . A 819 ILE HD12 . 19955 1 347 . 1 1 32 32 ILE HD13 H 1 0.686 0.005 11 2 . . . A 819 ILE HD13 . 19955 1 348 . 1 1 32 32 ILE C C 13 175.630 0.021 3 1 . . . A 819 ILE C . 19955 1 349 . 1 1 32 32 ILE CA C 13 58.602 0.046 10 1 . . . A 819 ILE CA . 19955 1 350 . 1 1 32 32 ILE CB C 13 36.541 0.105 7 1 . . . A 819 ILE CB . 19955 1 351 . 1 1 32 32 ILE CG1 C 13 27.031 0.056 5 1 . . . A 819 ILE CG1 . 19955 1 352 . 1 1 32 32 ILE CG2 C 13 16.408 0.033 8 1 . . . A 819 ILE CG2 . 19955 1 353 . 1 1 32 32 ILE CD1 C 13 10.831 0.111 7 1 . . . A 819 ILE CD1 . 19955 1 354 . 1 1 32 32 ILE N N 15 121.053 0.111 17 1 . . . A 819 ILE N . 19955 1 355 . 1 1 33 33 VAL H H 1 8.717 0.007 33 1 . . . A 820 VAL H . 19955 1 356 . 1 1 33 33 VAL HA H 1 4.679 0.024 12 1 . . . A 820 VAL HA . 19955 1 357 . 1 1 33 33 VAL HB H 1 1.503 0.097 6 1 . . . A 820 VAL HB . 19955 1 358 . 1 1 33 33 VAL HG11 H 1 0.170 0.006 24 2 . . . A 820 VAL HG11 . 19955 1 359 . 1 1 33 33 VAL HG12 H 1 0.170 0.006 24 2 . . . A 820 VAL HG12 . 19955 1 360 . 1 1 33 33 VAL HG13 H 1 0.170 0.006 24 2 . . . A 820 VAL HG13 . 19955 1 361 . 1 1 33 33 VAL HG21 H 1 0.170 0.006 24 2 . . . A 820 VAL HG21 . 19955 1 362 . 1 1 33 33 VAL HG22 H 1 0.170 0.006 24 2 . . . A 820 VAL HG22 . 19955 1 363 . 1 1 33 33 VAL HG23 H 1 0.170 0.006 24 2 . . . A 820 VAL HG23 . 19955 1 364 . 1 1 33 33 VAL C C 13 172.751 0.022 3 1 . . . A 820 VAL C . 19955 1 365 . 1 1 33 33 VAL CA C 13 57.861 0.090 8 1 . . . A 820 VAL CA . 19955 1 366 . 1 1 33 33 VAL CB C 13 34.372 0.078 6 1 . . . A 820 VAL CB . 19955 1 367 . 1 1 33 33 VAL CG1 C 13 20.741 0.147 10 2 . . . A 820 VAL CG1 . 19955 1 368 . 1 1 33 33 VAL CG2 C 13 20.741 0.147 10 2 . . . A 820 VAL CG2 . 19955 1 369 . 1 1 33 33 VAL N N 15 124.554 0.079 31 1 . . . A 820 VAL N . 19955 1 370 . 1 1 34 34 TYR H H 1 8.360 0.009 24 1 . . . A 821 TYR H . 19955 1 371 . 1 1 34 34 TYR HA H 1 4.803 0.010 11 1 . . . A 821 TYR HA . 19955 1 372 . 1 1 34 34 TYR HB2 H 1 2.805 0.004 10 2 . . . A 821 TYR HB2 . 19955 1 373 . 1 1 34 34 TYR HB3 H 1 2.805 0.004 10 2 . . . A 821 TYR HB3 . 19955 1 374 . 1 1 34 34 TYR HD1 H 1 6.927 0.005 6 3 . . . A 821 TYR HD1 . 19955 1 375 . 1 1 34 34 TYR HD2 H 1 6.927 0.005 6 3 . . . A 821 TYR HD2 . 19955 1 376 . 1 1 34 34 TYR HE1 H 1 6.745 0.007 3 3 . . . A 821 TYR HE1 . 19955 1 377 . 1 1 34 34 TYR HE2 H 1 6.745 0.007 3 3 . . . A 821 TYR HE2 . 19955 1 378 . 1 1 34 34 TYR C C 13 175.760 0.042 3 1 . . . A 821 TYR C . 19955 1 379 . 1 1 34 34 TYR CA C 13 56.838 0.052 6 1 . . . A 821 TYR CA . 19955 1 380 . 1 1 34 34 TYR CB C 13 40.132 0.075 6 1 . . . A 821 TYR CB . 19955 1 381 . 1 1 34 34 TYR N N 15 120.296 0.106 21 1 . . . A 821 TYR N . 19955 1 382 . 1 1 35 35 ILE H H 1 8.991 0.016 27 1 . . . A 822 ILE H . 19955 1 383 . 1 1 35 35 ILE HA H 1 3.865 0.008 17 1 . . . A 822 ILE HA . 19955 1 384 . 1 1 35 35 ILE HB H 1 1.781 0.007 11 1 . . . A 822 ILE HB . 19955 1 385 . 1 1 35 35 ILE HG12 H 1 1.321 0.006 8 2 . . . A 822 ILE HG12 . 19955 1 386 . 1 1 35 35 ILE HG13 H 1 1.321 0.006 8 2 . . . A 822 ILE HG13 . 19955 1 387 . 1 1 35 35 ILE HG21 H 1 0.573 0.006 21 2 . . . A 822 ILE HG21 . 19955 1 388 . 1 1 35 35 ILE HG22 H 1 0.573 0.006 21 2 . . . A 822 ILE HG22 . 19955 1 389 . 1 1 35 35 ILE HG23 H 1 0.573 0.006 21 2 . . . A 822 ILE HG23 . 19955 1 390 . 1 1 35 35 ILE HD11 H 1 0.592 0.004 3 2 . . . A 822 ILE HD11 . 19955 1 391 . 1 1 35 35 ILE HD12 H 1 0.592 0.004 3 2 . . . A 822 ILE HD12 . 19955 1 392 . 1 1 35 35 ILE HD13 H 1 0.592 0.004 3 2 . . . A 822 ILE HD13 . 19955 1 393 . 1 1 35 35 ILE C C 13 176.541 0.016 2 1 . . . A 822 ILE C . 19955 1 394 . 1 1 35 35 ILE CA C 13 62.327 0.055 8 1 . . . A 822 ILE CA . 19955 1 395 . 1 1 35 35 ILE CB C 13 39.429 0.155 4 1 . . . A 822 ILE CB . 19955 1 396 . 1 1 35 35 ILE CG1 C 13 28.372 0.135 3 1 . . . A 822 ILE CG1 . 19955 1 397 . 1 1 35 35 ILE CG2 C 13 17.799 0.059 6 1 . . . A 822 ILE CG2 . 19955 1 398 . 1 1 35 35 ILE CD1 C 13 12.966 0.000 1 1 . . . A 822 ILE CD1 . 19955 1 399 . 1 1 35 35 ILE N N 15 123.440 0.093 23 1 . . . A 822 ILE N . 19955 1 400 . 1 1 36 36 TYR H H 1 9.699 0.007 39 1 . . . A 823 TYR H . 19955 1 401 . 1 1 36 36 TYR HA H 1 5.068 0.047 14 1 . . . A 823 TYR HA . 19955 1 402 . 1 1 36 36 TYR HB2 H 1 3.164 0.010 6 1 . . . A 823 TYR HB2 . 19955 1 403 . 1 1 36 36 TYR HB3 H 1 3.045 0.004 6 1 . . . A 823 TYR HB3 . 19955 1 404 . 1 1 36 36 TYR HD1 H 1 7.034 0.004 3 3 . . . A 823 TYR HD1 . 19955 1 405 . 1 1 36 36 TYR HD2 H 1 7.034 0.004 3 3 . . . A 823 TYR HD2 . 19955 1 406 . 1 1 36 36 TYR HE1 H 1 6.703 0.049 5 3 . . . A 823 TYR HE1 . 19955 1 407 . 1 1 36 36 TYR HE2 H 1 6.703 0.049 5 3 . . . A 823 TYR HE2 . 19955 1 408 . 1 1 36 36 TYR C C 13 176.327 0.069 2 1 . . . A 823 TYR C . 19955 1 409 . 1 1 36 36 TYR CA C 13 56.331 0.075 9 1 . . . A 823 TYR CA . 19955 1 410 . 1 1 36 36 TYR CB C 13 38.285 0.176 6 1 . . . A 823 TYR CB . 19955 1 411 . 1 1 36 36 TYR N N 15 127.197 0.053 35 1 . . . A 823 TYR N . 19955 1 412 . 1 1 37 37 LYS H H 1 7.904 0.009 39 1 . . . A 824 LYS H . 19955 1 413 . 1 1 37 37 LYS HA H 1 4.664 0.007 18 1 . . . A 824 LYS HA . 19955 1 414 . 1 1 37 37 LYS HB2 H 1 2.025 0.011 9 1 . . . A 824 LYS HB2 . 19955 1 415 . 1 1 37 37 LYS HB3 H 1 1.739 0.009 9 1 . . . A 824 LYS HB3 . 19955 1 416 . 1 1 37 37 LYS HG2 H 1 1.327 0.010 6 1 . . . A 824 LYS HG2 . 19955 1 417 . 1 1 37 37 LYS HG3 H 1 1.084 0.008 12 1 . . . A 824 LYS HG3 . 19955 1 418 . 1 1 37 37 LYS HD2 H 1 1.596 0.008 8 2 . . . A 824 LYS HD2 . 19955 1 419 . 1 1 37 37 LYS HD3 H 1 1.596 0.008 8 2 . . . A 824 LYS HD3 . 19955 1 420 . 1 1 37 37 LYS HE2 H 1 2.846 0.007 4 2 . . . A 824 LYS HE2 . 19955 1 421 . 1 1 37 37 LYS HE3 H 1 2.846 0.007 4 2 . . . A 824 LYS HE3 . 19955 1 422 . 1 1 37 37 LYS C C 13 174.044 0.006 3 1 . . . A 824 LYS C . 19955 1 423 . 1 1 37 37 LYS CA C 13 55.301 0.061 11 1 . . . A 824 LYS CA . 19955 1 424 . 1 1 37 37 LYS CB C 13 35.104 0.064 6 1 . . . A 824 LYS CB . 19955 1 425 . 1 1 37 37 LYS CG C 13 23.688 0.028 7 1 . . . A 824 LYS CG . 19955 1 426 . 1 1 37 37 LYS CD C 13 29.281 0.124 5 1 . . . A 824 LYS CD . 19955 1 427 . 1 1 37 37 LYS CE C 13 42.206 0.000 1 1 . . . A 824 LYS CE . 19955 1 428 . 1 1 37 37 LYS N N 15 113.691 0.050 35 1 . . . A 824 LYS N . 19955 1 429 . 1 1 38 38 GLN H H 1 9.091 0.006 33 1 . . . A 825 GLN H . 19955 1 430 . 1 1 38 38 GLN HA H 1 4.614 0.003 10 1 . . . A 825 GLN HA . 19955 1 431 . 1 1 38 38 GLN HB2 H 1 1.991 0.007 8 2 . . . A 825 GLN HB2 . 19955 1 432 . 1 1 38 38 GLN HB3 H 1 1.991 0.007 8 2 . . . A 825 GLN HB3 . 19955 1 433 . 1 1 38 38 GLN HG2 H 1 2.217 0.006 6 2 . . . A 825 GLN HG2 . 19955 1 434 . 1 1 38 38 GLN HG3 H 1 2.217 0.006 6 2 . . . A 825 GLN HG3 . 19955 1 435 . 1 1 38 38 GLN C C 13 175.372 0.011 2 1 . . . A 825 GLN C . 19955 1 436 . 1 1 38 38 GLN CA C 13 55.970 0.127 8 1 . . . A 825 GLN CA . 19955 1 437 . 1 1 38 38 GLN CB C 13 29.014 0.112 5 1 . . . A 825 GLN CB . 19955 1 438 . 1 1 38 38 GLN CG C 13 33.736 0.069 2 1 . . . A 825 GLN CG . 19955 1 439 . 1 1 38 38 GLN N N 15 122.998 0.073 32 1 . . . A 825 GLN N . 19955 1 440 . 1 1 39 39 ILE H H 1 8.356 0.005 34 1 . . . A 826 ILE H . 19955 1 441 . 1 1 39 39 ILE HA H 1 3.950 0.003 10 1 . . . A 826 ILE HA . 19955 1 442 . 1 1 39 39 ILE HB H 1 1.707 0.009 12 1 . . . A 826 ILE HB . 19955 1 443 . 1 1 39 39 ILE HG12 H 1 1.259 0.012 7 1 . . . A 826 ILE HG12 . 19955 1 444 . 1 1 39 39 ILE HG13 H 1 1.057 0.003 6 1 . . . A 826 ILE HG13 . 19955 1 445 . 1 1 39 39 ILE HG21 H 1 0.763 0.010 7 2 . . . A 826 ILE HG21 . 19955 1 446 . 1 1 39 39 ILE HG22 H 1 0.763 0.010 7 2 . . . A 826 ILE HG22 . 19955 1 447 . 1 1 39 39 ILE HG23 H 1 0.763 0.010 7 2 . . . A 826 ILE HG23 . 19955 1 448 . 1 1 39 39 ILE HD11 H 1 0.667 0.004 2 2 . . . A 826 ILE HD11 . 19955 1 449 . 1 1 39 39 ILE HD12 H 1 0.667 0.004 2 2 . . . A 826 ILE HD12 . 19955 1 450 . 1 1 39 39 ILE HD13 H 1 0.667 0.004 2 2 . . . A 826 ILE HD13 . 19955 1 451 . 1 1 39 39 ILE C C 13 175.447 0.049 2 1 . . . A 826 ILE C . 19955 1 452 . 1 1 39 39 ILE CA C 13 62.062 0.039 9 1 . . . A 826 ILE CA . 19955 1 453 . 1 1 39 39 ILE CB C 13 38.179 0.095 9 1 . . . A 826 ILE CB . 19955 1 454 . 1 1 39 39 ILE CG1 C 13 27.238 0.000 1 1 . . . A 826 ILE CG1 . 19955 1 455 . 1 1 39 39 ILE CD1 C 13 17.091 0.000 1 1 . . . A 826 ILE CD1 . 19955 1 456 . 1 1 39 39 ILE N N 15 126.911 0.051 31 1 . . . A 826 ILE N . 19955 1 457 . 1 1 40 40 ASP H H 1 7.952 0.007 36 1 . . . A 827 ASP H . 19955 1 458 . 1 1 40 40 ASP HA H 1 4.419 0.009 8 1 . . . A 827 ASP HA . 19955 1 459 . 1 1 40 40 ASP HB2 H 1 3.053 0.005 8 2 . . . A 827 ASP HB2 . 19955 1 460 . 1 1 40 40 ASP HB3 H 1 3.053 0.005 8 2 . . . A 827 ASP HB3 . 19955 1 461 . 1 1 40 40 ASP C C 13 175.673 0.017 2 1 . . . A 827 ASP C . 19955 1 462 . 1 1 40 40 ASP CA C 13 53.255 0.037 6 1 . . . A 827 ASP CA . 19955 1 463 . 1 1 40 40 ASP CB C 13 40.120 0.073 4 1 . . . A 827 ASP CB . 19955 1 464 . 1 1 40 40 ASP N N 15 118.575 0.046 33 1 . . . A 827 ASP N . 19955 1 465 . 1 1 41 41 GLN H H 1 8.468 0.005 25 1 . . . A 828 GLN H . 19955 1 466 . 1 1 41 41 GLN HA H 1 3.872 0.009 8 1 . . . A 828 GLN HA . 19955 1 467 . 1 1 41 41 GLN HB2 H 1 1.955 0.003 9 2 . . . A 828 GLN HB2 . 19955 1 468 . 1 1 41 41 GLN HB3 H 1 1.955 0.003 9 2 . . . A 828 GLN HB3 . 19955 1 469 . 1 1 41 41 GLN HG2 H 1 2.276 0.010 7 2 . . . A 828 GLN HG2 . 19955 1 470 . 1 1 41 41 GLN HG3 H 1 2.276 0.010 7 2 . . . A 828 GLN HG3 . 19955 1 471 . 1 1 41 41 GLN C C 13 175.745 0.007 2 1 . . . A 828 GLN C . 19955 1 472 . 1 1 41 41 GLN CA C 13 58.261 0.076 6 1 . . . A 828 GLN CA . 19955 1 473 . 1 1 41 41 GLN CB C 13 28.498 0.153 6 1 . . . A 828 GLN CB . 19955 1 474 . 1 1 41 41 GLN CG C 13 33.409 0.029 3 1 . . . A 828 GLN CG . 19955 1 475 . 1 1 41 41 GLN N N 15 113.633 0.044 23 1 . . . A 828 GLN N . 19955 1 476 . 1 1 42 42 ASN H H 1 8.799 0.008 29 1 . . . A 829 ASN H . 19955 1 477 . 1 1 42 42 ASN HA H 1 4.742 0.007 12 1 . . . A 829 ASN HA . 19955 1 478 . 1 1 42 42 ASN HB2 H 1 2.627 0.005 6 1 . . . A 829 ASN HB2 . 19955 1 479 . 1 1 42 42 ASN HB3 H 1 2.274 0.008 6 1 . . . A 829 ASN HB3 . 19955 1 480 . 1 1 42 42 ASN C C 13 175.652 0.058 2 1 . . . A 829 ASN C . 19955 1 481 . 1 1 42 42 ASN CA C 13 53.641 0.104 6 1 . . . A 829 ASN CA . 19955 1 482 . 1 1 42 42 ASN CB C 13 41.815 0.078 5 1 . . . A 829 ASN CB . 19955 1 483 . 1 1 42 42 ASN N N 15 114.412 0.055 24 1 . . . A 829 ASN N . 19955 1 484 . 1 1 43 43 TRP H H 1 8.033 0.006 25 1 . . . A 830 TRP H . 19955 1 485 . 1 1 43 43 TRP HA H 1 4.810 0.007 11 1 . . . A 830 TRP HA . 19955 1 486 . 1 1 43 43 TRP HB2 H 1 2.785 0.013 12 2 . . . A 830 TRP HB2 . 19955 1 487 . 1 1 43 43 TRP HB3 H 1 2.785 0.013 12 2 . . . A 830 TRP HB3 . 19955 1 488 . 1 1 43 43 TRP HD1 H 1 7.894 0.000 2 1 . . . A 830 TRP HD1 . 19955 1 489 . 1 1 43 43 TRP HE1 H 1 10.176 0.061 10 1 . . . A 830 TRP HE1 . 19955 1 490 . 1 1 43 43 TRP HE3 H 1 7.024 0.076 3 1 . . . A 830 TRP HE3 . 19955 1 491 . 1 1 43 43 TRP HZ2 H 1 7.416 0.000 1 3 . . . A 830 TRP HZ2 . 19955 1 492 . 1 1 43 43 TRP HZ3 H 1 7.416 0.000 1 3 . . . A 830 TRP HZ3 . 19955 1 493 . 1 1 43 43 TRP C C 13 175.077 0.022 3 1 . . . A 830 TRP C . 19955 1 494 . 1 1 43 43 TRP CA C 13 57.290 0.075 6 1 . . . A 830 TRP CA . 19955 1 495 . 1 1 43 43 TRP CB C 13 32.570 0.119 6 1 . . . A 830 TRP CB . 19955 1 496 . 1 1 43 43 TRP N N 15 121.661 0.084 24 1 . . . A 830 TRP N . 19955 1 497 . 1 1 43 43 TRP NE1 N 15 129.669 0.018 8 1 . . . A 830 TRP NE1 . 19955 1 498 . 1 1 44 44 TYR H H 1 8.721 0.005 28 1 . . . A 831 TYR H . 19955 1 499 . 1 1 44 44 TYR HA H 1 5.045 0.007 13 1 . . . A 831 TYR HA . 19955 1 500 . 1 1 44 44 TYR HB2 H 1 2.548 0.005 11 1 . . . A 831 TYR HB2 . 19955 1 501 . 1 1 44 44 TYR HB3 H 1 1.737 0.007 6 1 . . . A 831 TYR HB3 . 19955 1 502 . 1 1 44 44 TYR HD1 H 1 6.829 0.005 3 3 . . . A 831 TYR HD1 . 19955 1 503 . 1 1 44 44 TYR HD2 H 1 6.829 0.005 3 3 . . . A 831 TYR HD2 . 19955 1 504 . 1 1 44 44 TYR HE1 H 1 6.727 0.004 2 3 . . . A 831 TYR HE1 . 19955 1 505 . 1 1 44 44 TYR HE2 H 1 6.727 0.004 2 3 . . . A 831 TYR HE2 . 19955 1 506 . 1 1 44 44 TYR C C 13 173.672 0.010 3 1 . . . A 831 TYR C . 19955 1 507 . 1 1 44 44 TYR CA C 13 56.372 0.087 10 1 . . . A 831 TYR CA . 19955 1 508 . 1 1 44 44 TYR CB C 13 42.726 0.068 8 1 . . . A 831 TYR CB . 19955 1 509 . 1 1 44 44 TYR N N 15 120.163 0.044 25 1 . . . A 831 TYR N . 19955 1 510 . 1 1 45 45 GLU H H 1 8.696 0.007 35 1 . . . A 832 GLU H . 19955 1 511 . 1 1 45 45 GLU HA H 1 4.937 0.005 13 1 . . . A 832 GLU HA . 19955 1 512 . 1 1 45 45 GLU HB2 H 1 1.993 0.007 7 1 . . . A 832 GLU HB2 . 19955 1 513 . 1 1 45 45 GLU HB3 H 1 1.820 0.005 4 1 . . . A 832 GLU HB3 . 19955 1 514 . 1 1 45 45 GLU HG2 H 1 1.997 0.012 7 2 . . . A 832 GLU HG2 . 19955 1 515 . 1 1 45 45 GLU HG3 H 1 1.997 0.012 7 2 . . . A 832 GLU HG3 . 19955 1 516 . 1 1 45 45 GLU C C 13 176.121 0.006 3 1 . . . A 832 GLU C . 19955 1 517 . 1 1 45 45 GLU CA C 13 54.404 0.093 7 1 . . . A 832 GLU CA . 19955 1 518 . 1 1 45 45 GLU CB C 13 33.955 0.101 5 1 . . . A 832 GLU CB . 19955 1 519 . 1 1 45 45 GLU CG C 13 37.520 0.163 3 1 . . . A 832 GLU CG . 19955 1 520 . 1 1 45 45 GLU N N 15 117.935 0.092 31 1 . . . A 832 GLU N . 19955 1 521 . 1 1 46 46 GLY H H 1 9.063 0.008 42 1 . . . A 833 GLY H . 19955 1 522 . 1 1 46 46 GLY HA2 H 1 4.380 0.006 12 1 . . . A 833 GLY HA2 . 19955 1 523 . 1 1 46 46 GLY HA3 H 1 3.701 0.010 15 1 . . . A 833 GLY HA3 . 19955 1 524 . 1 1 46 46 GLY C C 13 168.962 0.026 3 1 . . . A 833 GLY C . 19955 1 525 . 1 1 46 46 GLY CA C 13 46.623 0.112 14 1 . . . A 833 GLY CA . 19955 1 526 . 1 1 46 46 GLY N N 15 115.171 0.048 37 1 . . . A 833 GLY N . 19955 1 527 . 1 1 47 47 GLU H H 1 8.708 0.007 23 1 . . . A 834 GLU H . 19955 1 528 . 1 1 47 47 GLU HA H 1 5.689 0.032 17 1 . . . A 834 GLU HA . 19955 1 529 . 1 1 47 47 GLU HB2 H 1 1.966 0.008 5 1 . . . A 834 GLU HB2 . 19955 1 530 . 1 1 47 47 GLU HB3 H 1 1.702 0.010 3 1 . . . A 834 GLU HB3 . 19955 1 531 . 1 1 47 47 GLU HG2 H 1 2.169 0.000 1 2 . . . A 834 GLU HG2 . 19955 1 532 . 1 1 47 47 GLU HG3 H 1 2.169 0.000 1 2 . . . A 834 GLU HG3 . 19955 1 533 . 1 1 47 47 GLU C C 13 175.077 0.023 3 1 . . . A 834 GLU C . 19955 1 534 . 1 1 47 47 GLU CA C 13 53.966 0.041 10 1 . . . A 834 GLU CA . 19955 1 535 . 1 1 47 47 GLU CB C 13 35.044 0.048 5 1 . . . A 834 GLU CB . 19955 1 536 . 1 1 47 47 GLU CG C 13 35.926 0.024 3 1 . . . A 834 GLU CG . 19955 1 537 . 1 1 47 47 GLU N N 15 117.849 0.066 21 1 . . . A 834 GLU N . 19955 1 538 . 1 1 48 48 HIS H H 1 8.799 0.005 29 1 . . . A 835 HIS H . 19955 1 539 . 1 1 48 48 HIS HA H 1 4.834 0.004 9 1 . . . A 835 HIS HA . 19955 1 540 . 1 1 48 48 HIS HB2 H 1 2.845 0.001 7 1 . . . A 835 HIS HB2 . 19955 1 541 . 1 1 48 48 HIS HB3 H 1 3.037 0.007 7 1 . . . A 835 HIS HB3 . 19955 1 542 . 1 1 48 48 HIS HD1 H 1 7.221 0.008 3 2 . . . A 835 HIS HD1 . 19955 1 543 . 1 1 48 48 HIS HD2 H 1 7.221 0.008 3 2 . . . A 835 HIS HD2 . 19955 1 544 . 1 1 48 48 HIS C C 13 174.509 0.000 1 1 . . . A 835 HIS C . 19955 1 545 . 1 1 48 48 HIS CA C 13 56.249 0.142 7 1 . . . A 835 HIS CA . 19955 1 546 . 1 1 48 48 HIS CB C 13 33.211 0.027 6 1 . . . A 835 HIS CB . 19955 1 547 . 1 1 48 48 HIS N N 15 120.973 0.125 25 1 . . . A 835 HIS N . 19955 1 548 . 1 1 49 49 HIS H H 1 9.163 0.516 6 1 . . . A 836 HIS H . 19955 1 549 . 1 1 49 49 HIS HA H 1 4.166 0.005 7 1 . . . A 836 HIS HA . 19955 1 550 . 1 1 49 49 HIS HB2 H 1 3.188 0.007 5 1 . . . A 836 HIS HB2 . 19955 1 551 . 1 1 49 49 HIS HB3 H 1 2.715 0.010 7 1 . . . A 836 HIS HB3 . 19955 1 552 . 1 1 49 49 HIS HD1 H 1 6.682 0.003 2 2 . . . A 836 HIS HD1 . 19955 1 553 . 1 1 49 49 HIS HD2 H 1 6.682 0.003 2 2 . . . A 836 HIS HD2 . 19955 1 554 . 1 1 49 49 HIS C C 13 175.012 0.009 2 1 . . . A 836 HIS C . 19955 1 555 . 1 1 49 49 HIS CA C 13 55.689 0.170 7 1 . . . A 836 HIS CA . 19955 1 556 . 1 1 49 49 HIS CB C 13 27.994 0.084 6 1 . . . A 836 HIS CB . 19955 1 557 . 1 1 49 49 HIS N N 15 125.728 2.190 5 1 . . . A 836 HIS N . 19955 1 558 . 1 1 50 50 GLY H H 1 9.070 0.015 29 1 . . . A 837 GLY H . 19955 1 559 . 1 1 50 50 GLY HA2 H 1 4.114 0.010 6 1 . . . A 837 GLY HA2 . 19955 1 560 . 1 1 50 50 GLY HA3 H 1 3.586 0.003 6 1 . . . A 837 GLY HA3 . 19955 1 561 . 1 1 50 50 GLY C C 13 173.235 0.020 2 1 . . . A 837 GLY C . 19955 1 562 . 1 1 50 50 GLY CA C 13 45.654 0.101 6 1 . . . A 837 GLY CA . 19955 1 563 . 1 1 50 50 GLY N N 15 104.909 0.041 27 1 . . . A 837 GLY N . 19955 1 564 . 1 1 51 51 ARG H H 1 7.814 0.009 30 1 . . . A 838 ARG H . 19955 1 565 . 1 1 51 51 ARG HA H 1 4.593 0.004 13 1 . . . A 838 ARG HA . 19955 1 566 . 1 1 51 51 ARG HB2 H 1 1.921 0.005 7 1 . . . A 838 ARG HB2 . 19955 1 567 . 1 1 51 51 ARG HB3 H 1 1.762 0.013 11 1 . . . A 838 ARG HB3 . 19955 1 568 . 1 1 51 51 ARG HG2 H 1 1.533 0.007 12 2 . . . A 838 ARG HG2 . 19955 1 569 . 1 1 51 51 ARG HG3 H 1 1.533 0.007 12 2 . . . A 838 ARG HG3 . 19955 1 570 . 1 1 51 51 ARG HD2 H 1 3.266 0.006 9 1 . . . A 838 ARG HD2 . 19955 1 571 . 1 1 51 51 ARG HD3 H 1 3.146 0.010 8 1 . . . A 838 ARG HD3 . 19955 1 572 . 1 1 51 51 ARG C C 13 173.682 0.011 3 1 . . . A 838 ARG C . 19955 1 573 . 1 1 51 51 ARG CA C 13 54.881 0.081 8 1 . . . A 838 ARG CA . 19955 1 574 . 1 1 51 51 ARG CB C 13 32.058 0.033 7 1 . . . A 838 ARG CB . 19955 1 575 . 1 1 51 51 ARG CG C 13 27.236 0.031 5 1 . . . A 838 ARG CG . 19955 1 576 . 1 1 51 51 ARG CD C 13 43.735 0.070 10 1 . . . A 838 ARG CD . 19955 1 577 . 1 1 51 51 ARG N N 15 122.925 0.060 26 1 . . . A 838 ARG N . 19955 1 578 . 1 1 52 52 VAL H H 1 8.360 0.010 33 1 . . . A 839 VAL H . 19955 1 579 . 1 1 52 52 VAL HA H 1 5.134 0.004 14 1 . . . A 839 VAL HA . 19955 1 580 . 1 1 52 52 VAL HB H 1 1.906 0.003 7 1 . . . A 839 VAL HB . 19955 1 581 . 1 1 52 52 VAL HG11 H 1 0.930 0.018 17 2 . . . A 839 VAL HG11 . 19955 1 582 . 1 1 52 52 VAL HG12 H 1 0.930 0.018 17 2 . . . A 839 VAL HG12 . 19955 1 583 . 1 1 52 52 VAL HG13 H 1 0.930 0.018 17 2 . . . A 839 VAL HG13 . 19955 1 584 . 1 1 52 52 VAL HG21 H 1 0.930 0.018 17 2 . . . A 839 VAL HG21 . 19955 1 585 . 1 1 52 52 VAL HG22 H 1 0.930 0.018 17 2 . . . A 839 VAL HG22 . 19955 1 586 . 1 1 52 52 VAL HG23 H 1 0.930 0.018 17 2 . . . A 839 VAL HG23 . 19955 1 587 . 1 1 52 52 VAL C C 13 177.296 0.013 2 1 . . . A 839 VAL C . 19955 1 588 . 1 1 52 52 VAL CA C 13 60.200 0.048 8 1 . . . A 839 VAL CA . 19955 1 589 . 1 1 52 52 VAL CB C 13 33.994 0.036 6 1 . . . A 839 VAL CB . 19955 1 590 . 1 1 52 52 VAL CG1 C 13 21.168 0.110 4 2 . . . A 839 VAL CG1 . 19955 1 591 . 1 1 52 52 VAL CG2 C 13 21.168 0.110 4 2 . . . A 839 VAL CG2 . 19955 1 592 . 1 1 52 52 VAL N N 15 123.572 0.144 29 1 . . . A 839 VAL N . 19955 1 593 . 1 1 53 53 GLY H H 1 8.951 0.007 28 1 . . . A 840 GLY H . 19955 1 594 . 1 1 53 53 GLY HA2 H 1 4.392 0.011 11 1 . . . A 840 GLY HA2 . 19955 1 595 . 1 1 53 53 GLY HA3 H 1 4.035 0.006 10 1 . . . A 840 GLY HA3 . 19955 1 596 . 1 1 53 53 GLY C C 13 171.246 0.018 3 1 . . . A 840 GLY C . 19955 1 597 . 1 1 53 53 GLY CA C 13 45.896 0.149 12 1 . . . A 840 GLY CA . 19955 1 598 . 1 1 53 53 GLY N N 15 114.006 0.054 26 1 . . . A 840 GLY N . 19955 1 599 . 1 1 54 54 ILE H H 1 8.434 0.007 27 1 . . . A 841 ILE H . 19955 1 600 . 1 1 54 54 ILE HA H 1 5.881 0.005 15 1 . . . A 841 ILE HA . 19955 1 601 . 1 1 54 54 ILE HB H 1 1.841 0.004 8 1 . . . A 841 ILE HB . 19955 1 602 . 1 1 54 54 ILE HG12 H 1 1.263 0.004 4 2 . . . A 841 ILE HG12 . 19955 1 603 . 1 1 54 54 ILE HG13 H 1 1.263 0.004 4 2 . . . A 841 ILE HG13 . 19955 1 604 . 1 1 54 54 ILE HG21 H 1 0.732 0.009 21 2 . . . A 841 ILE HG21 . 19955 1 605 . 1 1 54 54 ILE HG22 H 1 0.732 0.009 21 2 . . . A 841 ILE HG22 . 19955 1 606 . 1 1 54 54 ILE HG23 H 1 0.732 0.009 21 2 . . . A 841 ILE HG23 . 19955 1 607 . 1 1 54 54 ILE C C 13 176.120 0.011 2 1 . . . A 841 ILE C . 19955 1 608 . 1 1 54 54 ILE CA C 13 59.367 0.068 10 1 . . . A 841 ILE CA . 19955 1 609 . 1 1 54 54 ILE CB C 13 40.917 0.087 5 1 . . . A 841 ILE CB . 19955 1 610 . 1 1 54 54 ILE CG1 C 13 25.832 0.000 1 1 . . . A 841 ILE CG1 . 19955 1 611 . 1 1 54 54 ILE CG2 C 13 17.504 0.041 8 1 . . . A 841 ILE CG2 . 19955 1 612 . 1 1 54 54 ILE N N 15 112.496 0.031 24 1 . . . A 841 ILE N . 19955 1 613 . 1 1 55 55 PHE H H 1 8.408 0.006 33 1 . . . A 842 PHE H . 19955 1 614 . 1 1 55 55 PHE HA H 1 4.971 0.004 8 1 . . . A 842 PHE HA . 19955 1 615 . 1 1 55 55 PHE HB2 H 1 3.425 0.001 3 1 . . . A 842 PHE HB2 . 19955 1 616 . 1 1 55 55 PHE HB3 H 1 2.332 0.003 2 1 . . . A 842 PHE HB3 . 19955 1 617 . 1 1 55 55 PHE HD1 H 1 6.859 0.159 3 3 . . . A 842 PHE HD1 . 19955 1 618 . 1 1 55 55 PHE HD2 H 1 6.859 0.159 3 3 . . . A 842 PHE HD2 . 19955 1 619 . 1 1 55 55 PHE HE1 H 1 6.817 0.008 3 3 . . . A 842 PHE HE1 . 19955 1 620 . 1 1 55 55 PHE HE2 H 1 6.817 0.008 3 3 . . . A 842 PHE HE2 . 19955 1 621 . 1 1 55 55 PHE C C 13 171.777 0.000 1 1 . . . A 842 PHE C . 19955 1 622 . 1 1 55 55 PHE CA C 13 54.265 0.025 3 1 . . . A 842 PHE CA . 19955 1 623 . 1 1 55 55 PHE CB C 13 37.515 0.016 4 1 . . . A 842 PHE CB . 19955 1 624 . 1 1 55 55 PHE N N 15 116.289 0.049 31 1 . . . A 842 PHE N . 19955 1 625 . 1 1 56 56 PRO HA H 1 3.934 0.007 10 1 . . . A 843 PRO HA . 19955 1 626 . 1 1 56 56 PRO HB2 H 1 1.348 0.064 5 2 . . . A 843 PRO HB2 . 19955 1 627 . 1 1 56 56 PRO HB3 H 1 1.348 0.064 5 2 . . . A 843 PRO HB3 . 19955 1 628 . 1 1 56 56 PRO HG2 H 1 0.643 0.007 5 1 . . . A 843 PRO HG2 . 19955 1 629 . 1 1 56 56 PRO HG3 H 1 0.480 0.002 3 1 . . . A 843 PRO HG3 . 19955 1 630 . 1 1 56 56 PRO HD2 H 1 2.069 0.014 2 2 . . . A 843 PRO HD2 . 19955 1 631 . 1 1 56 56 PRO HD3 H 1 2.069 0.014 2 2 . . . A 843 PRO HD3 . 19955 1 632 . 1 1 56 56 PRO C C 13 178.228 0.000 1 1 . . . A 843 PRO C . 19955 1 633 . 1 1 56 56 PRO CA C 13 61.613 0.071 7 1 . . . A 843 PRO CA . 19955 1 634 . 1 1 56 56 PRO CB C 13 31.395 0.157 3 1 . . . A 843 PRO CB . 19955 1 635 . 1 1 56 56 PRO CG C 13 27.544 0.031 4 1 . . . A 843 PRO CG . 19955 1 636 . 1 1 56 56 PRO CD C 13 49.956 0.108 2 1 . . . A 843 PRO CD . 19955 1 637 . 1 1 57 57 ARG H H 1 7.906 0.006 28 1 . . . A 844 ARG H . 19955 1 638 . 1 1 57 57 ARG HA H 1 3.944 0.007 12 1 . . . A 844 ARG HA . 19955 1 639 . 1 1 57 57 ARG HB2 H 1 1.459 0.012 9 1 . . . A 844 ARG HB2 . 19955 1 640 . 1 1 57 57 ARG HB3 H 1 1.212 0.015 7 1 . . . A 844 ARG HB3 . 19955 1 641 . 1 1 57 57 ARG HG2 H 1 1.202 0.004 4 1 . . . A 844 ARG HG2 . 19955 1 642 . 1 1 57 57 ARG HG3 H 1 0.990 0.008 10 1 . . . A 844 ARG HG3 . 19955 1 643 . 1 1 57 57 ARG HD2 H 1 2.891 0.021 8 2 . . . A 844 ARG HD2 . 19955 1 644 . 1 1 57 57 ARG HD3 H 1 2.891 0.021 8 2 . . . A 844 ARG HD3 . 19955 1 645 . 1 1 57 57 ARG C C 13 178.171 0.022 3 1 . . . A 844 ARG C . 19955 1 646 . 1 1 57 57 ARG CA C 13 58.618 0.039 8 1 . . . A 844 ARG CA . 19955 1 647 . 1 1 57 57 ARG CB C 13 30.297 0.048 8 1 . . . A 844 ARG CB . 19955 1 648 . 1 1 57 57 ARG CG C 13 26.244 0.072 7 1 . . . A 844 ARG CG . 19955 1 649 . 1 1 57 57 ARG CD C 13 43.164 0.039 4 1 . . . A 844 ARG CD . 19955 1 650 . 1 1 57 57 ARG N N 15 122.291 0.050 27 1 . . . A 844 ARG N . 19955 1 651 . 1 1 58 58 THR H H 1 7.907 0.006 34 1 . . . A 845 THR H . 19955 1 652 . 1 1 58 58 THR HA H 1 4.159 0.005 8 1 . . . A 845 THR HA . 19955 1 653 . 1 1 58 58 THR HB H 1 4.376 0.008 6 1 . . . A 845 THR HB . 19955 1 654 . 1 1 58 58 THR HG21 H 1 1.200 0.005 6 2 . . . A 845 THR HG21 . 19955 1 655 . 1 1 58 58 THR HG22 H 1 1.200 0.005 6 2 . . . A 845 THR HG22 . 19955 1 656 . 1 1 58 58 THR HG23 H 1 1.200 0.005 6 2 . . . A 845 THR HG23 . 19955 1 657 . 1 1 58 58 THR C C 13 175.363 0.012 2 1 . . . A 845 THR C . 19955 1 658 . 1 1 58 58 THR CA C 13 63.035 0.052 6 1 . . . A 845 THR CA . 19955 1 659 . 1 1 58 58 THR CB C 13 69.022 0.018 4 1 . . . A 845 THR CB . 19955 1 660 . 1 1 58 58 THR CG2 C 13 21.832 0.158 2 1 . . . A 845 THR CG2 . 19955 1 661 . 1 1 58 58 THR N N 15 105.068 0.060 32 1 . . . A 845 THR N . 19955 1 662 . 1 1 59 59 TYR H H 1 7.611 0.004 30 1 . . . A 846 TYR H . 19955 1 663 . 1 1 59 59 TYR HA H 1 4.535 0.006 9 1 . . . A 846 TYR HA . 19955 1 664 . 1 1 59 59 TYR HB2 H 1 3.238 0.005 7 1 . . . A 846 TYR HB2 . 19955 1 665 . 1 1 59 59 TYR HB3 H 1 2.920 0.003 8 1 . . . A 846 TYR HB3 . 19955 1 666 . 1 1 59 59 TYR HD1 H 1 7.105 0.011 4 3 . . . A 846 TYR HD1 . 19955 1 667 . 1 1 59 59 TYR HD2 H 1 7.105 0.011 4 3 . . . A 846 TYR HD2 . 19955 1 668 . 1 1 59 59 TYR HE1 H 1 6.755 0.002 4 3 . . . A 846 TYR HE1 . 19955 1 669 . 1 1 59 59 TYR HE2 H 1 6.755 0.002 4 3 . . . A 846 TYR HE2 . 19955 1 670 . 1 1 59 59 TYR C C 13 174.917 0.022 3 1 . . . A 846 TYR C . 19955 1 671 . 1 1 59 59 TYR CA C 13 58.751 0.050 7 1 . . . A 846 TYR CA . 19955 1 672 . 1 1 59 59 TYR CB C 13 38.055 0.074 5 1 . . . A 846 TYR CB . 19955 1 673 . 1 1 59 59 TYR N N 15 118.977 0.034 27 1 . . . A 846 TYR N . 19955 1 674 . 1 1 60 60 ILE H H 1 7.390 0.005 38 1 . . . A 847 ILE H . 19955 1 675 . 1 1 60 60 ILE HA H 1 5.099 0.004 16 1 . . . A 847 ILE HA . 19955 1 676 . 1 1 60 60 ILE HB H 1 1.761 0.007 13 1 . . . A 847 ILE HB . 19955 1 677 . 1 1 60 60 ILE HG12 H 1 1.537 0.003 3 1 . . . A 847 ILE HG12 . 19955 1 678 . 1 1 60 60 ILE HG13 H 1 1.280 0.013 5 1 . . . A 847 ILE HG13 . 19955 1 679 . 1 1 60 60 ILE HG21 H 1 0.555 0.004 15 2 . . . A 847 ILE HG21 . 19955 1 680 . 1 1 60 60 ILE HG22 H 1 0.555 0.004 15 2 . . . A 847 ILE HG22 . 19955 1 681 . 1 1 60 60 ILE HG23 H 1 0.555 0.004 15 2 . . . A 847 ILE HG23 . 19955 1 682 . 1 1 60 60 ILE C C 13 174.141 0.014 3 1 . . . A 847 ILE C . 19955 1 683 . 1 1 60 60 ILE CA C 13 57.454 0.035 9 1 . . . A 847 ILE CA . 19955 1 684 . 1 1 60 60 ILE CB C 13 42.191 0.165 6 1 . . . A 847 ILE CB . 19955 1 685 . 1 1 60 60 ILE CG1 C 13 26.426 0.000 1 1 . . . A 847 ILE CG1 . 19955 1 686 . 1 1 60 60 ILE CG2 C 13 20.136 0.095 5 1 . . . A 847 ILE CG2 . 19955 1 687 . 1 1 60 60 ILE CD1 C 13 13.069 0.000 1 1 . . . A 847 ILE CD1 . 19955 1 688 . 1 1 60 60 ILE N N 15 113.230 0.069 34 1 . . . A 847 ILE N . 19955 1 689 . 1 1 61 61 GLU H H 1 8.786 0.007 38 1 . . . A 848 GLU H . 19955 1 690 . 1 1 61 61 GLU HA H 1 4.548 0.100 7 1 . . . A 848 GLU HA . 19955 1 691 . 1 1 61 61 GLU HB2 H 1 1.861 0.000 3 1 . . . A 848 GLU HB2 . 19955 1 692 . 1 1 61 61 GLU HB3 H 1 1.710 0.029 3 1 . . . A 848 GLU HB3 . 19955 1 693 . 1 1 61 61 GLU HG2 H 1 2.075 0.008 10 2 . . . A 848 GLU HG2 . 19955 1 694 . 1 1 61 61 GLU HG3 H 1 2.075 0.008 10 2 . . . A 848 GLU HG3 . 19955 1 695 . 1 1 61 61 GLU C C 13 175.193 0.008 3 1 . . . A 848 GLU C . 19955 1 696 . 1 1 61 61 GLU CA C 13 53.664 0.093 7 1 . . . A 848 GLU CA . 19955 1 697 . 1 1 61 61 GLU CB C 13 32.624 0.045 4 1 . . . A 848 GLU CB . 19955 1 698 . 1 1 61 61 GLU CG C 13 35.534 0.013 6 1 . . . A 848 GLU CG . 19955 1 699 . 1 1 61 61 GLU N N 15 121.909 0.069 34 1 . . . A 848 GLU N . 19955 1 700 . 1 1 62 62 LEU H H 1 8.730 0.010 32 1 . . . A 849 LEU H . 19955 1 701 . 1 1 62 62 LEU HA H 1 4.091 0.004 16 1 . . . A 849 LEU HA . 19955 1 702 . 1 1 62 62 LEU HB2 H 1 1.455 0.000 1 2 . . . A 849 LEU HB2 . 19955 1 703 . 1 1 62 62 LEU HB3 H 1 1.455 0.000 1 2 . . . A 849 LEU HB3 . 19955 1 704 . 1 1 62 62 LEU HG H 1 1.595 0.009 4 1 . . . A 849 LEU HG . 19955 1 705 . 1 1 62 62 LEU HD11 H 1 0.828 0.009 4 2 . . . A 849 LEU HD11 . 19955 1 706 . 1 1 62 62 LEU HD12 H 1 0.828 0.009 4 2 . . . A 849 LEU HD12 . 19955 1 707 . 1 1 62 62 LEU HD13 H 1 0.828 0.009 4 2 . . . A 849 LEU HD13 . 19955 1 708 . 1 1 62 62 LEU HD21 H 1 0.622 0.005 12 2 . . . A 849 LEU HD21 . 19955 1 709 . 1 1 62 62 LEU HD22 H 1 0.622 0.005 12 2 . . . A 849 LEU HD22 . 19955 1 710 . 1 1 62 62 LEU HD23 H 1 0.622 0.005 12 2 . . . A 849 LEU HD23 . 19955 1 711 . 1 1 62 62 LEU C C 13 177.019 0.025 3 1 . . . A 849 LEU C . 19955 1 712 . 1 1 62 62 LEU CA C 13 55.667 0.065 10 1 . . . A 849 LEU CA . 19955 1 713 . 1 1 62 62 LEU CB C 13 41.542 0.047 4 1 . . . A 849 LEU CB . 19955 1 714 . 1 1 62 62 LEU CG C 13 27.328 0.011 2 1 . . . A 849 LEU CG . 19955 1 715 . 1 1 62 62 LEU CD1 C 13 24.746 0.000 1 1 . . . A 849 LEU CD1 . 19955 1 716 . 1 1 62 62 LEU CD2 C 13 23.337 0.079 3 1 . . . A 849 LEU CD2 . 19955 1 717 . 1 1 62 62 LEU N N 15 126.431 0.099 29 1 . . . A 849 LEU N . 19955 1 718 . 1 1 63 63 LEU H H 1 7.846 0.005 33 1 . . . A 850 LEU H . 19955 1 719 . 1 1 63 63 LEU HA H 1 4.562 0.070 8 1 . . . A 850 LEU HA . 19955 1 720 . 1 1 63 63 LEU HB2 H 1 1.471 0.003 5 2 . . . A 850 LEU HB2 . 19955 1 721 . 1 1 63 63 LEU HB3 H 1 1.471 0.003 5 2 . . . A 850 LEU HB3 . 19955 1 722 . 1 1 63 63 LEU HG H 1 1.322 0.000 1 1 . . . A 850 LEU HG . 19955 1 723 . 1 1 63 63 LEU HD11 H 1 0.675 0.076 2 2 . . . A 850 LEU HD11 . 19955 1 724 . 1 1 63 63 LEU HD12 H 1 0.675 0.076 2 2 . . . A 850 LEU HD12 . 19955 1 725 . 1 1 63 63 LEU HD13 H 1 0.675 0.076 2 2 . . . A 850 LEU HD13 . 19955 1 726 . 1 1 63 63 LEU HD21 H 1 0.675 0.076 2 2 . . . A 850 LEU HD21 . 19955 1 727 . 1 1 63 63 LEU HD22 H 1 0.675 0.076 2 2 . . . A 850 LEU HD22 . 19955 1 728 . 1 1 63 63 LEU HD23 H 1 0.675 0.076 2 2 . . . A 850 LEU HD23 . 19955 1 729 . 1 1 63 63 LEU C C 13 174.453 0.000 1 1 . . . A 850 LEU C . 19955 1 730 . 1 1 63 63 LEU CA C 13 52.805 0.062 7 1 . . . A 850 LEU CA . 19955 1 731 . 1 1 63 63 LEU CB C 13 40.963 0.102 5 1 . . . A 850 LEU CB . 19955 1 732 . 1 1 63 63 LEU N N 15 123.942 0.051 30 1 . . . A 850 LEU N . 19955 1 733 . 1 1 65 65 PRO HA H 1 4.329 0.007 4 1 . . . A 852 PRO HA . 19955 1 734 . 1 1 65 65 PRO HB2 H 1 2.248 0.009 4 1 . . . A 852 PRO HB2 . 19955 1 735 . 1 1 65 65 PRO HB3 H 1 1.882 0.000 1 1 . . . A 852 PRO HB3 . 19955 1 736 . 1 1 65 65 PRO HG2 H 1 1.933 0.000 1 2 . . . A 852 PRO HG2 . 19955 1 737 . 1 1 65 65 PRO HG3 H 1 1.933 0.000 1 2 . . . A 852 PRO HG3 . 19955 1 738 . 1 1 65 65 PRO HD2 H 1 3.745 0.000 1 1 . . . A 852 PRO HD2 . 19955 1 739 . 1 1 65 65 PRO HD3 H 1 3.557 0.000 1 1 . . . A 852 PRO HD3 . 19955 1 740 . 1 1 65 65 PRO C C 13 176.580 0.001 2 1 . . . A 852 PRO C . 19955 1 741 . 1 1 65 65 PRO CA C 13 62.903 0.091 4 1 . . . A 852 PRO CA . 19955 1 742 . 1 1 65 65 PRO CB C 13 31.765 0.026 3 1 . . . A 852 PRO CB . 19955 1 743 . 1 1 65 65 PRO CG C 13 27.250 0.000 1 1 . . . A 852 PRO CG . 19955 1 744 . 1 1 65 65 PRO CD C 13 50.012 0.000 1 1 . . . A 852 PRO CD . 19955 1 745 . 1 1 66 66 ALA H H 1 8.354 0.005 27 1 . . . A 853 ALA H . 19955 1 746 . 1 1 66 66 ALA HA H 1 4.240 0.003 5 1 . . . A 853 ALA HA . 19955 1 747 . 1 1 66 66 ALA HB1 H 1 1.333 0.004 7 2 . . . A 853 ALA HB1 . 19955 1 748 . 1 1 66 66 ALA HB2 H 1 1.333 0.004 7 2 . . . A 853 ALA HB2 . 19955 1 749 . 1 1 66 66 ALA HB3 H 1 1.333 0.004 7 2 . . . A 853 ALA HB3 . 19955 1 750 . 1 1 66 66 ALA C C 13 177.767 0.005 3 1 . . . A 853 ALA C . 19955 1 751 . 1 1 66 66 ALA CA C 13 52.258 0.063 5 1 . . . A 853 ALA CA . 19955 1 752 . 1 1 66 66 ALA CB C 13 19.516 0.167 6 1 . . . A 853 ALA CB . 19955 1 753 . 1 1 66 66 ALA N N 15 124.102 0.084 26 1 . . . A 853 ALA N . 19955 1 754 . 1 1 67 67 GLU H H 1 8.348 0.006 21 1 . . . A 854 GLU H . 19955 1 755 . 1 1 67 67 GLU HA H 1 4.203 0.010 5 1 . . . A 854 GLU HA . 19955 1 756 . 1 1 67 67 GLU HB2 H 1 1.948 0.021 5 2 . . . A 854 GLU HB2 . 19955 1 757 . 1 1 67 67 GLU HB3 H 1 1.948 0.021 5 2 . . . A 854 GLU HB3 . 19955 1 758 . 1 1 67 67 GLU HG2 H 1 2.205 0.002 3 2 . . . A 854 GLU HG2 . 19955 1 759 . 1 1 67 67 GLU HG3 H 1 2.205 0.002 3 2 . . . A 854 GLU HG3 . 19955 1 760 . 1 1 67 67 GLU C C 13 176.402 0.009 2 1 . . . A 854 GLU C . 19955 1 761 . 1 1 67 67 GLU CA C 13 56.380 0.064 4 1 . . . A 854 GLU CA . 19955 1 762 . 1 1 67 67 GLU CB C 13 30.432 0.073 4 1 . . . A 854 GLU CB . 19955 1 763 . 1 1 67 67 GLU CG C 13 35.840 0.000 1 1 . . . A 854 GLU CG . 19955 1 764 . 1 1 67 67 GLU N N 15 120.540 0.088 20 1 . . . A 854 GLU N . 19955 1 765 . 1 1 68 68 LYS H H 1 8.305 0.005 22 1 . . . A 855 LYS H . 19955 1 766 . 1 1 68 68 LYS HA H 1 4.215 0.008 8 1 . . . A 855 LYS HA . 19955 1 767 . 1 1 68 68 LYS HB2 H 1 1.676 0.012 5 2 . . . A 855 LYS HB2 . 19955 1 768 . 1 1 68 68 LYS HB3 H 1 1.676 0.012 5 2 . . . A 855 LYS HB3 . 19955 1 769 . 1 1 68 68 LYS HG2 H 1 1.369 0.003 6 2 . . . A 855 LYS HG2 . 19955 1 770 . 1 1 68 68 LYS HG3 H 1 1.369 0.003 6 2 . . . A 855 LYS HG3 . 19955 1 771 . 1 1 68 68 LYS HD2 H 1 1.640 0.000 1 2 . . . A 855 LYS HD2 . 19955 1 772 . 1 1 68 68 LYS HD3 H 1 1.640 0.000 1 2 . . . A 855 LYS HD3 . 19955 1 773 . 1 1 68 68 LYS HE2 H 1 2.927 0.005 2 2 . . . A 855 LYS HE2 . 19955 1 774 . 1 1 68 68 LYS HE3 H 1 2.927 0.005 2 2 . . . A 855 LYS HE3 . 19955 1 775 . 1 1 68 68 LYS C C 13 176.078 0.014 3 1 . . . A 855 LYS C . 19955 1 776 . 1 1 68 68 LYS CA C 13 56.018 0.108 6 1 . . . A 855 LYS CA . 19955 1 777 . 1 1 68 68 LYS CB C 13 33.187 0.136 6 1 . . . A 855 LYS CB . 19955 1 778 . 1 1 68 68 LYS CG C 13 24.210 0.000 3 1 . . . A 855 LYS CG . 19955 1 779 . 1 1 68 68 LYS CD C 13 28.891 0.000 1 1 . . . A 855 LYS CD . 19955 1 780 . 1 1 68 68 LYS CE C 13 42.285 0.000 1 1 . . . A 855 LYS CE . 19955 1 781 . 1 1 68 68 LYS N N 15 122.717 0.056 21 1 . . . A 855 LYS N . 19955 1 782 . 1 1 69 69 ALA H H 1 8.219 0.007 25 1 . . . A 856 ALA H . 19955 1 783 . 1 1 69 69 ALA HA H 1 4.241 0.012 5 1 . . . A 856 ALA HA . 19955 1 784 . 1 1 69 69 ALA HB1 H 1 1.293 0.016 6 2 . . . A 856 ALA HB1 . 19955 1 785 . 1 1 69 69 ALA HB2 H 1 1.293 0.016 6 2 . . . A 856 ALA HB2 . 19955 1 786 . 1 1 69 69 ALA HB3 H 1 1.293 0.016 6 2 . . . A 856 ALA HB3 . 19955 1 787 . 1 1 69 69 ALA C C 13 177.276 0.011 3 1 . . . A 856 ALA C . 19955 1 788 . 1 1 69 69 ALA CA C 13 52.046 0.119 4 1 . . . A 856 ALA CA . 19955 1 789 . 1 1 69 69 ALA CB C 13 19.294 0.034 5 1 . . . A 856 ALA CB . 19955 1 790 . 1 1 69 69 ALA N N 15 125.584 0.053 24 1 . . . A 856 ALA N . 19955 1 791 . 1 1 70 70 GLN H H 1 8.333 0.006 20 1 . . . A 857 GLN H . 19955 1 792 . 1 1 70 70 GLN C C 13 173.964 0.000 1 1 . . . A 857 GLN C . 19955 1 793 . 1 1 70 70 GLN CA C 13 53.490 0.000 1 1 . . . A 857 GLN CA . 19955 1 794 . 1 1 70 70 GLN CB C 13 29.040 0.000 1 1 . . . A 857 GLN CB . 19955 1 795 . 1 1 70 70 GLN N N 15 121.223 0.068 19 1 . . . A 857 GLN N . 19955 1 796 . 1 1 71 71 PRO HA H 1 4.338 0.014 8 1 . . . A 858 PRO HA . 19955 1 797 . 1 1 71 71 PRO HB2 H 1 2.199 0.007 4 1 . . . A 858 PRO HB2 . 19955 1 798 . 1 1 71 71 PRO HB3 H 1 1.804 0.008 3 1 . . . A 858 PRO HB3 . 19955 1 799 . 1 1 71 71 PRO HG2 H 1 1.887 0.003 2 2 . . . A 858 PRO HG2 . 19955 1 800 . 1 1 71 71 PRO HG3 H 1 1.887 0.003 2 2 . . . A 858 PRO HG3 . 19955 1 801 . 1 1 71 71 PRO HD2 H 1 3.583 0.010 2 2 . . . A 858 PRO HD2 . 19955 1 802 . 1 1 71 71 PRO HD3 H 1 3.583 0.010 2 2 . . . A 858 PRO HD3 . 19955 1 803 . 1 1 71 71 PRO C C 13 176.696 0.000 1 1 . . . A 858 PRO C . 19955 1 804 . 1 1 71 71 PRO CA C 13 62.910 0.069 6 1 . . . A 858 PRO CA . 19955 1 805 . 1 1 71 71 PRO CB C 13 32.075 0.129 4 1 . . . A 858 PRO CB . 19955 1 806 . 1 1 71 71 PRO CG C 13 27.232 0.000 1 1 . . . A 858 PRO CG . 19955 1 807 . 1 1 71 71 PRO CD C 13 50.270 0.000 1 1 . . . A 858 PRO CD . 19955 1 808 . 1 1 72 72 LYS H H 1 8.355 0.005 24 1 . . . A 859 LYS H . 19955 1 809 . 1 1 72 72 LYS HA H 1 4.190 0.003 3 1 . . . A 859 LYS HA . 19955 1 810 . 1 1 72 72 LYS HB2 H 1 1.672 0.009 2 2 . . . A 859 LYS HB2 . 19955 1 811 . 1 1 72 72 LYS HB3 H 1 1.672 0.009 2 2 . . . A 859 LYS HB3 . 19955 1 812 . 1 1 72 72 LYS HG2 H 1 1.373 0.002 2 2 . . . A 859 LYS HG2 . 19955 1 813 . 1 1 72 72 LYS HG3 H 1 1.373 0.002 2 2 . . . A 859 LYS HG3 . 19955 1 814 . 1 1 72 72 LYS HD2 H 1 1.665 0.000 1 2 . . . A 859 LYS HD2 . 19955 1 815 . 1 1 72 72 LYS HD3 H 1 1.665 0.000 1 2 . . . A 859 LYS HD3 . 19955 1 816 . 1 1 72 72 LYS HE2 H 1 2.927 0.000 1 2 . . . A 859 LYS HE2 . 19955 1 817 . 1 1 72 72 LYS HE3 H 1 2.927 0.000 1 2 . . . A 859 LYS HE3 . 19955 1 818 . 1 1 72 72 LYS C C 13 176.382 0.011 2 1 . . . A 859 LYS C . 19955 1 819 . 1 1 72 72 LYS CA C 13 56.130 0.052 4 1 . . . A 859 LYS CA . 19955 1 820 . 1 1 72 72 LYS CB C 13 33.070 0.086 3 1 . . . A 859 LYS CB . 19955 1 821 . 1 1 72 72 LYS CG C 13 24.317 0.000 1 1 . . . A 859 LYS CG . 19955 1 822 . 1 1 72 72 LYS CD C 13 28.994 0.000 1 1 . . . A 859 LYS CD . 19955 1 823 . 1 1 72 72 LYS CE C 13 42.273 0.000 1 1 . . . A 859 LYS CE . 19955 1 824 . 1 1 72 72 LYS N N 15 121.891 0.045 23 1 . . . A 859 LYS N . 19955 1 825 . 1 1 73 73 LYS H H 1 8.267 0.005 19 1 . . . A 860 LYS H . 19955 1 826 . 1 1 73 73 LYS HA H 1 4.245 0.017 5 1 . . . A 860 LYS HA . 19955 1 827 . 1 1 73 73 LYS HB2 H 1 1.735 0.000 1 1 . . . A 860 LYS HB2 . 19955 1 828 . 1 1 73 73 LYS HB3 H 1 1.679 0.007 3 1 . . . A 860 LYS HB3 . 19955 1 829 . 1 1 73 73 LYS HG2 H 1 1.348 0.001 2 2 . . . A 860 LYS HG2 . 19955 1 830 . 1 1 73 73 LYS HG3 H 1 1.348 0.001 2 2 . . . A 860 LYS HG3 . 19955 1 831 . 1 1 73 73 LYS HD2 H 1 1.660 0.000 1 2 . . . A 860 LYS HD2 . 19955 1 832 . 1 1 73 73 LYS HD3 H 1 1.660 0.000 1 2 . . . A 860 LYS HD3 . 19955 1 833 . 1 1 73 73 LYS HE2 H 1 2.923 0.000 1 2 . . . A 860 LYS HE2 . 19955 1 834 . 1 1 73 73 LYS HE3 H 1 2.923 0.000 1 2 . . . A 860 LYS HE3 . 19955 1 835 . 1 1 73 73 LYS C C 13 176.131 0.027 3 1 . . . A 860 LYS C . 19955 1 836 . 1 1 73 73 LYS CA C 13 55.852 0.061 4 1 . . . A 860 LYS CA . 19955 1 837 . 1 1 73 73 LYS CB C 13 33.148 0.011 6 1 . . . A 860 LYS CB . 19955 1 838 . 1 1 73 73 LYS CG C 13 24.148 0.000 1 1 . . . A 860 LYS CG . 19955 1 839 . 1 1 73 73 LYS CE C 13 42.183 0.000 1 1 . . . A 860 LYS CE . 19955 1 840 . 1 1 73 73 LYS N N 15 123.002 0.092 18 1 . . . A 860 LYS N . 19955 1 841 . 1 1 74 74 LEU H H 1 8.316 0.006 23 1 . . . A 861 LEU H . 19955 1 842 . 1 1 74 74 LEU HA H 1 4.356 0.002 5 1 . . . A 861 LEU HA . 19955 1 843 . 1 1 74 74 LEU HB2 H 1 1.531 0.009 5 2 . . . A 861 LEU HB2 . 19955 1 844 . 1 1 74 74 LEU HB3 H 1 1.531 0.009 5 2 . . . A 861 LEU HB3 . 19955 1 845 . 1 1 74 74 LEU HD11 H 1 0.779 0.010 4 2 . . . A 861 LEU HD11 . 19955 1 846 . 1 1 74 74 LEU HD12 H 1 0.779 0.010 4 2 . . . A 861 LEU HD12 . 19955 1 847 . 1 1 74 74 LEU HD13 H 1 0.779 0.010 4 2 . . . A 861 LEU HD13 . 19955 1 848 . 1 1 74 74 LEU HD21 H 1 0.779 0.010 4 2 . . . A 861 LEU HD21 . 19955 1 849 . 1 1 74 74 LEU HD22 H 1 0.779 0.010 4 2 . . . A 861 LEU HD22 . 19955 1 850 . 1 1 74 74 LEU HD23 H 1 0.779 0.010 4 2 . . . A 861 LEU HD23 . 19955 1 851 . 1 1 74 74 LEU C C 13 177.069 0.013 3 1 . . . A 861 LEU C . 19955 1 852 . 1 1 74 74 LEU CA C 13 54.795 0.114 6 1 . . . A 861 LEU CA . 19955 1 853 . 1 1 74 74 LEU CB C 13 42.350 0.143 5 1 . . . A 861 LEU CB . 19955 1 854 . 1 1 74 74 LEU CG C 13 27.123 0.000 1 1 . . . A 861 LEU CG . 19955 1 855 . 1 1 74 74 LEU CD1 C 13 24.373 0.000 1 1 . . . A 861 LEU CD1 . 19955 1 856 . 1 1 74 74 LEU CD2 C 13 23.058 0.000 1 1 . . . A 861 LEU CD2 . 19955 1 857 . 1 1 74 74 LEU N N 15 124.576 0.068 22 1 . . . A 861 LEU N . 19955 1 858 . 1 1 75 75 THR H H 1 8.162 0.007 30 1 . . . A 862 THR H . 19955 1 859 . 1 1 75 75 THR HA H 1 4.729 0.001 2 1 . . . A 862 THR HA . 19955 1 860 . 1 1 75 75 THR HG21 H 1 1.175 0.000 2 2 . . . A 862 THR HG21 . 19955 1 861 . 1 1 75 75 THR HG22 H 1 1.175 0.000 2 2 . . . A 862 THR HG22 . 19955 1 862 . 1 1 75 75 THR HG23 H 1 1.175 0.000 2 2 . . . A 862 THR HG23 . 19955 1 863 . 1 1 75 75 THR C C 13 172.639 0.000 1 1 . . . A 862 THR C . 19955 1 864 . 1 1 75 75 THR CA C 13 59.644 0.000 1 1 . . . A 862 THR CA . 19955 1 865 . 1 1 75 75 THR CB C 13 69.476 0.000 1 1 . . . A 862 THR CB . 19955 1 866 . 1 1 75 75 THR N N 15 117.878 0.046 29 1 . . . A 862 THR N . 19955 1 867 . 1 1 76 76 PRO HA H 1 4.368 0.002 6 1 . . . A 863 PRO HA . 19955 1 868 . 1 1 76 76 PRO HB2 H 1 2.215 0.001 4 1 . . . A 863 PRO HB2 . 19955 1 869 . 1 1 76 76 PRO HB3 H 1 1.817 0.001 3 1 . . . A 863 PRO HB3 . 19955 1 870 . 1 1 76 76 PRO HG2 H 1 1.936 0.000 1 1 . . . A 863 PRO HG2 . 19955 1 871 . 1 1 76 76 PRO HG3 H 1 1.855 0.000 1 1 . . . A 863 PRO HG3 . 19955 1 872 . 1 1 76 76 PRO HD2 H 1 3.775 0.005 3 1 . . . A 863 PRO HD2 . 19955 1 873 . 1 1 76 76 PRO HD3 H 1 3.652 0.004 2 1 . . . A 863 PRO HD3 . 19955 1 874 . 1 1 76 76 PRO C C 13 176.753 0.005 2 1 . . . A 863 PRO C . 19955 1 875 . 1 1 76 76 PRO CA C 13 63.192 0.090 5 1 . . . A 863 PRO CA . 19955 1 876 . 1 1 76 76 PRO CB C 13 32.058 0.157 3 1 . . . A 863 PRO CB . 19955 1 877 . 1 1 76 76 PRO CG C 13 27.353 0.000 1 1 . . . A 863 PRO CG . 19955 1 878 . 1 1 76 76 PRO CD C 13 50.958 0.000 1 1 . . . A 863 PRO CD . 19955 1 879 . 1 1 77 77 VAL H H 1 8.102 0.007 31 1 . . . A 864 VAL H . 19955 1 880 . 1 1 77 77 VAL HA H 1 3.985 0.008 8 1 . . . A 864 VAL HA . 19955 1 881 . 1 1 77 77 VAL HB H 1 1.955 0.005 6 1 . . . A 864 VAL HB . 19955 1 882 . 1 1 77 77 VAL HG11 H 1 0.871 0.006 6 1 . . . A 864 VAL HG11 . 19955 1 883 . 1 1 77 77 VAL HG12 H 1 0.871 0.006 6 1 . . . A 864 VAL HG12 . 19955 1 884 . 1 1 77 77 VAL HG13 H 1 0.871 0.006 6 1 . . . A 864 VAL HG13 . 19955 1 885 . 1 1 77 77 VAL HG21 H 1 0.871 0.006 6 1 . . . A 864 VAL HG21 . 19955 1 886 . 1 1 77 77 VAL HG22 H 1 0.871 0.006 6 1 . . . A 864 VAL HG22 . 19955 1 887 . 1 1 77 77 VAL HG23 H 1 0.871 0.006 6 1 . . . A 864 VAL HG23 . 19955 1 888 . 1 1 77 77 VAL C C 13 175.964 0.027 2 1 . . . A 864 VAL C . 19955 1 889 . 1 1 77 77 VAL CA C 13 62.342 0.083 7 1 . . . A 864 VAL CA . 19955 1 890 . 1 1 77 77 VAL CB C 13 32.521 0.084 5 1 . . . A 864 VAL CB . 19955 1 891 . 1 1 77 77 VAL CG1 C 13 20.745 0.000 1 2 . . . A 864 VAL CG1 . 19955 1 892 . 1 1 77 77 VAL CG2 C 13 20.745 0.000 1 2 . . . A 864 VAL CG2 . 19955 1 893 . 1 1 77 77 VAL N N 15 120.359 0.041 30 1 . . . A 864 VAL N . 19955 1 894 . 1 1 78 78 GLN H H 1 8.333 0.006 22 1 . . . A 865 GLN H . 19955 1 895 . 1 1 78 78 GLN HA H 1 4.286 0.003 7 1 . . . A 865 GLN HA . 19955 1 896 . 1 1 78 78 GLN HB2 H 1 1.941 0.002 4 2 . . . A 865 GLN HB2 . 19955 1 897 . 1 1 78 78 GLN HB3 H 1 1.941 0.002 4 2 . . . A 865 GLN HB3 . 19955 1 898 . 1 1 78 78 GLN HG2 H 1 2.241 0.003 4 2 . . . A 865 GLN HG2 . 19955 1 899 . 1 1 78 78 GLN HG3 H 1 2.241 0.003 4 2 . . . A 865 GLN HG3 . 19955 1 900 . 1 1 78 78 GLN C C 13 175.443 0.013 2 1 . . . A 865 GLN C . 19955 1 901 . 1 1 78 78 GLN CA C 13 55.595 0.070 7 1 . . . A 865 GLN CA . 19955 1 902 . 1 1 78 78 GLN CB C 13 29.739 0.029 3 1 . . . A 865 GLN CB . 19955 1 903 . 1 1 78 78 GLN CG C 13 33.852 0.000 1 1 . . . A 865 GLN CG . 19955 1 904 . 1 1 78 78 GLN N N 15 124.642 0.047 21 1 . . . A 865 GLN N . 19955 1 905 . 1 1 79 79 VAL H H 1 8.189 0.006 23 1 . . . A 866 VAL H . 19955 1 906 . 1 1 79 79 VAL HA H 1 3.969 0.007 6 1 . . . A 866 VAL HA . 19955 1 907 . 1 1 79 79 VAL HB H 1 1.937 0.008 5 1 . . . A 866 VAL HB . 19955 1 908 . 1 1 79 79 VAL HG11 H 1 0.796 0.000 1 2 . . . A 866 VAL HG11 . 19955 1 909 . 1 1 79 79 VAL HG12 H 1 0.796 0.000 1 2 . . . A 866 VAL HG12 . 19955 1 910 . 1 1 79 79 VAL HG13 H 1 0.796 0.000 1 2 . . . A 866 VAL HG13 . 19955 1 911 . 1 1 79 79 VAL HG21 H 1 0.796 0.000 1 2 . . . A 866 VAL HG21 . 19955 1 912 . 1 1 79 79 VAL HG22 H 1 0.796 0.000 1 2 . . . A 866 VAL HG22 . 19955 1 913 . 1 1 79 79 VAL HG23 H 1 0.796 0.000 1 2 . . . A 866 VAL HG23 . 19955 1 914 . 1 1 79 79 VAL C C 13 175.685 0.056 2 1 . . . A 866 VAL C . 19955 1 915 . 1 1 79 79 VAL CA C 13 62.398 0.026 5 1 . . . A 866 VAL CA . 19955 1 916 . 1 1 79 79 VAL CB C 13 32.832 0.025 4 1 . . . A 866 VAL CB . 19955 1 917 . 1 1 79 79 VAL CG1 C 13 20.780 0.000 1 1 . . . A 866 VAL CG1 . 19955 1 918 . 1 1 79 79 VAL CG2 C 13 20.780 0.000 1 1 . . . A 866 VAL CG2 . 19955 1 919 . 1 1 79 79 VAL N N 15 123.436 0.076 22 1 . . . A 866 VAL N . 19955 1 920 . 1 1 80 80 LEU H H 1 8.679 0.008 27 1 . . . A 867 LEU H . 19955 1 921 . 1 1 80 80 LEU HA H 1 4.262 0.003 10 1 . . . A 867 LEU HA . 19955 1 922 . 1 1 80 80 LEU HB2 H 1 1.566 0.002 3 1 . . . A 867 LEU HB2 . 19955 1 923 . 1 1 80 80 LEU HB3 H 1 1.418 0.005 3 1 . . . A 867 LEU HB3 . 19955 1 924 . 1 1 80 80 LEU HG H 1 1.546 0.013 3 1 . . . A 867 LEU HG . 19955 1 925 . 1 1 80 80 LEU HD11 H 1 0.778 0.013 5 2 . . . A 867 LEU HD11 . 19955 1 926 . 1 1 80 80 LEU HD12 H 1 0.778 0.013 5 2 . . . A 867 LEU HD12 . 19955 1 927 . 1 1 80 80 LEU HD13 H 1 0.778 0.013 5 2 . . . A 867 LEU HD13 . 19955 1 928 . 1 1 80 80 LEU HD21 H 1 0.778 0.013 5 2 . . . A 867 LEU HD21 . 19955 1 929 . 1 1 80 80 LEU HD22 H 1 0.778 0.013 5 2 . . . A 867 LEU HD22 . 19955 1 930 . 1 1 80 80 LEU HD23 H 1 0.778 0.013 5 2 . . . A 867 LEU HD23 . 19955 1 931 . 1 1 80 80 LEU C C 13 177.037 0.008 2 1 . . . A 867 LEU C . 19955 1 932 . 1 1 80 80 LEU CA C 13 55.688 0.058 6 1 . . . A 867 LEU CA . 19955 1 933 . 1 1 80 80 LEU CB C 13 42.552 0.124 6 1 . . . A 867 LEU CB . 19955 1 934 . 1 1 80 80 LEU CG C 13 26.983 0.000 1 1 . . . A 867 LEU CG . 19955 1 935 . 1 1 80 80 LEU CD1 C 13 24.463 0.000 1 1 . . . A 867 LEU CD1 . 19955 1 936 . 1 1 80 80 LEU CD2 C 13 23.484 0.038 2 1 . . . A 867 LEU CD2 . 19955 1 937 . 1 1 80 80 LEU N N 15 127.515 0.078 24 1 . . . A 867 LEU N . 19955 1 938 . 1 1 81 81 GLU H H 1 8.272 0.008 28 1 . . . A 868 GLU H . 19955 1 939 . 1 1 81 81 GLU HA H 1 4.219 0.003 6 1 . . . A 868 GLU HA . 19955 1 940 . 1 1 81 81 GLU HB2 H 1 1.854 0.028 3 1 . . . A 868 GLU HB2 . 19955 1 941 . 1 1 81 81 GLU HB3 H 1 1.775 0.000 1 1 . . . A 868 GLU HB3 . 19955 1 942 . 1 1 81 81 GLU HG2 H 1 2.106 0.004 4 2 . . . A 868 GLU HG2 . 19955 1 943 . 1 1 81 81 GLU HG3 H 1 2.106 0.004 4 2 . . . A 868 GLU HG3 . 19955 1 944 . 1 1 81 81 GLU C C 13 175.353 0.006 3 1 . . . A 868 GLU C . 19955 1 945 . 1 1 81 81 GLU CA C 13 55.753 0.076 6 1 . . . A 868 GLU CA . 19955 1 946 . 1 1 81 81 GLU CB C 13 31.419 0.219 4 1 . . . A 868 GLU CB . 19955 1 947 . 1 1 81 81 GLU CG C 13 35.738 0.000 1 1 . . . A 868 GLU CG . 19955 1 948 . 1 1 81 81 GLU N N 15 120.794 0.064 26 1 . . . A 868 GLU N . 19955 1 949 . 1 1 82 82 TYR H H 1 8.003 0.006 28 1 . . . A 869 TYR H . 19955 1 950 . 1 1 82 82 TYR HA H 1 4.700 0.006 7 1 . . . A 869 TYR HA . 19955 1 951 . 1 1 82 82 TYR HB2 H 1 3.211 0.002 5 1 . . . A 869 TYR HB2 . 19955 1 952 . 1 1 82 82 TYR HB3 H 1 2.761 0.005 5 1 . . . A 869 TYR HB3 . 19955 1 953 . 1 1 82 82 TYR C C 13 176.824 0.018 2 1 . . . A 869 TYR C . 19955 1 954 . 1 1 82 82 TYR CA C 13 56.809 0.139 7 1 . . . A 869 TYR CA . 19955 1 955 . 1 1 82 82 TYR CB C 13 38.650 0.040 4 1 . . . A 869 TYR CB . 19955 1 956 . 1 1 82 82 TYR N N 15 121.165 0.066 25 1 . . . A 869 TYR N . 19955 1 957 . 1 1 83 83 GLY H H 1 8.590 0.009 33 1 . . . A 870 GLY H . 19955 1 958 . 1 1 83 83 GLY HA2 H 1 4.215 0.008 7 1 . . . A 870 GLY HA2 . 19955 1 959 . 1 1 83 83 GLY HA3 H 1 3.616 0.004 8 1 . . . A 870 GLY HA3 . 19955 1 960 . 1 1 83 83 GLY C C 13 173.846 0.012 2 1 . . . A 870 GLY C . 19955 1 961 . 1 1 83 83 GLY CA C 13 44.219 0.064 8 1 . . . A 870 GLY CA . 19955 1 962 . 1 1 83 83 GLY N N 15 104.958 0.046 30 1 . . . A 870 GLY N . 19955 1 963 . 1 1 84 84 GLU H H 1 9.246 0.020 28 1 . . . A 871 GLU H . 19955 1 964 . 1 1 84 84 GLU HA H 1 5.222 0.005 15 1 . . . A 871 GLU HA . 19955 1 965 . 1 1 84 84 GLU HB2 H 1 1.869 0.003 12 2 . . . A 871 GLU HB2 . 19955 1 966 . 1 1 84 84 GLU HB3 H 1 1.869 0.003 12 2 . . . A 871 GLU HB3 . 19955 1 967 . 1 1 84 84 GLU HG2 H 1 2.133 0.015 6 1 . . . A 871 GLU HG2 . 19955 1 968 . 1 1 84 84 GLU HG3 H 1 2.064 0.000 2 1 . . . A 871 GLU HG3 . 19955 1 969 . 1 1 84 84 GLU C C 13 173.827 0.005 2 1 . . . A 871 GLU C . 19955 1 970 . 1 1 84 84 GLU CA C 13 55.859 0.072 11 1 . . . A 871 GLU CA . 19955 1 971 . 1 1 84 84 GLU CB C 13 34.934 0.133 8 1 . . . A 871 GLU CB . 19955 1 972 . 1 1 84 84 GLU CG C 13 36.775 0.000 1 1 . . . A 871 GLU CG . 19955 1 973 . 1 1 84 84 GLU N N 15 122.341 0.054 24 1 . . . A 871 GLU N . 19955 1 974 . 1 1 85 85 ALA H H 1 9.266 0.008 34 1 . . . A 872 ALA H . 19955 1 975 . 1 1 85 85 ALA HA H 1 5.104 0.006 16 1 . . . A 872 ALA HA . 19955 1 976 . 1 1 85 85 ALA HB1 H 1 1.039 0.009 17 2 . . . A 872 ALA HB1 . 19955 1 977 . 1 1 85 85 ALA HB2 H 1 1.039 0.009 17 2 . . . A 872 ALA HB2 . 19955 1 978 . 1 1 85 85 ALA HB3 H 1 1.039 0.009 17 2 . . . A 872 ALA HB3 . 19955 1 979 . 1 1 85 85 ALA C C 13 174.022 0.033 3 1 . . . A 872 ALA C . 19955 1 980 . 1 1 85 85 ALA CA C 13 50.135 0.075 11 1 . . . A 872 ALA CA . 19955 1 981 . 1 1 85 85 ALA CB C 13 24.498 0.072 10 1 . . . A 872 ALA CB . 19955 1 982 . 1 1 85 85 ALA N N 15 126.709 0.051 30 1 . . . A 872 ALA N . 19955 1 983 . 1 1 86 86 ILE H H 1 8.522 0.005 31 1 . . . A 873 ILE H . 19955 1 984 . 1 1 86 86 ILE HA H 1 4.614 0.020 16 1 . . . A 873 ILE HA . 19955 1 985 . 1 1 86 86 ILE HB H 1 1.560 0.004 16 1 . . . A 873 ILE HB . 19955 1 986 . 1 1 86 86 ILE HG12 H 1 1.331 0.009 10 1 . . . A 873 ILE HG12 . 19955 1 987 . 1 1 86 86 ILE HG13 H 1 0.892 0.012 8 1 . . . A 873 ILE HG13 . 19955 1 988 . 1 1 86 86 ILE HG21 H 1 0.696 0.006 16 2 . . . A 873 ILE HG21 . 19955 1 989 . 1 1 86 86 ILE HG22 H 1 0.696 0.006 16 2 . . . A 873 ILE HG22 . 19955 1 990 . 1 1 86 86 ILE HG23 H 1 0.696 0.006 16 2 . . . A 873 ILE HG23 . 19955 1 991 . 1 1 86 86 ILE HD11 H 1 0.702 0.013 12 2 . . . A 873 ILE HD11 . 19955 1 992 . 1 1 86 86 ILE HD12 H 1 0.702 0.013 12 2 . . . A 873 ILE HD12 . 19955 1 993 . 1 1 86 86 ILE HD13 H 1 0.702 0.013 12 2 . . . A 873 ILE HD13 . 19955 1 994 . 1 1 86 86 ILE C C 13 176.132 0.013 3 1 . . . A 873 ILE C . 19955 1 995 . 1 1 86 86 ILE CA C 13 58.788 0.087 11 1 . . . A 873 ILE CA . 19955 1 996 . 1 1 86 86 ILE CB C 13 40.630 0.129 10 1 . . . A 873 ILE CB . 19955 1 997 . 1 1 86 86 ILE CG1 C 13 27.673 0.022 5 1 . . . A 873 ILE CG1 . 19955 1 998 . 1 1 86 86 ILE CG2 C 13 16.767 0.062 9 1 . . . A 873 ILE CG2 . 19955 1 999 . 1 1 86 86 ILE CD1 C 13 12.449 0.046 7 1 . . . A 873 ILE CD1 . 19955 1 1000 . 1 1 86 86 ILE N N 15 118.554 0.054 29 1 . . . A 873 ILE N . 19955 1 1001 . 1 1 87 87 ALA H H 1 8.608 0.005 36 1 . . . A 874 ALA H . 19955 1 1002 . 1 1 87 87 ALA HA H 1 4.037 0.004 13 1 . . . A 874 ALA HA . 19955 1 1003 . 1 1 87 87 ALA HB1 H 1 1.349 0.010 17 2 . . . A 874 ALA HB1 . 19955 1 1004 . 1 1 87 87 ALA HB2 H 1 1.349 0.010 17 2 . . . A 874 ALA HB2 . 19955 1 1005 . 1 1 87 87 ALA HB3 H 1 1.349 0.010 17 2 . . . A 874 ALA HB3 . 19955 1 1006 . 1 1 87 87 ALA C C 13 178.259 0.021 2 1 . . . A 874 ALA C . 19955 1 1007 . 1 1 87 87 ALA CA C 13 53.337 0.122 8 1 . . . A 874 ALA CA . 19955 1 1008 . 1 1 87 87 ALA CB C 13 21.278 0.071 9 1 . . . A 874 ALA CB . 19955 1 1009 . 1 1 87 87 ALA N N 15 129.739 0.056 35 1 . . . A 874 ALA N . 19955 1 1010 . 1 1 88 88 LYS H H 1 9.298 0.005 24 1 . . . A 875 LYS H . 19955 1 1011 . 1 1 88 88 LYS HA H 1 4.024 0.004 10 1 . . . A 875 LYS HA . 19955 1 1012 . 1 1 88 88 LYS HB2 H 1 0.986 0.008 11 2 . . . A 875 LYS HB2 . 19955 1 1013 . 1 1 88 88 LYS HB3 H 1 0.986 0.008 11 2 . . . A 875 LYS HB3 . 19955 1 1014 . 1 1 88 88 LYS HG2 H 1 0.826 0.000 1 1 . . . A 875 LYS HG2 . 19955 1 1015 . 1 1 88 88 LYS HG3 H 1 0.673 0.009 6 1 . . . A 875 LYS HG3 . 19955 1 1016 . 1 1 88 88 LYS HD2 H 1 1.300 0.002 2 2 . . . A 875 LYS HD2 . 19955 1 1017 . 1 1 88 88 LYS HD3 H 1 1.300 0.002 2 2 . . . A 875 LYS HD3 . 19955 1 1018 . 1 1 88 88 LYS HE2 H 1 2.622 0.006 8 2 . . . A 875 LYS HE2 . 19955 1 1019 . 1 1 88 88 LYS HE3 H 1 2.622 0.006 8 2 . . . A 875 LYS HE3 . 19955 1 1020 . 1 1 88 88 LYS C C 13 174.098 0.000 1 1 . . . A 875 LYS C . 19955 1 1021 . 1 1 88 88 LYS CA C 13 57.099 0.130 8 1 . . . A 875 LYS CA . 19955 1 1022 . 1 1 88 88 LYS CB C 13 33.984 0.074 10 1 . . . A 875 LYS CB . 19955 1 1023 . 1 1 88 88 LYS CG C 13 24.278 0.000 1 1 . . . A 875 LYS CG . 19955 1 1024 . 1 1 88 88 LYS CD C 13 29.319 0.000 1 1 . . . A 875 LYS CD . 19955 1 1025 . 1 1 88 88 LYS CE C 13 41.236 0.015 7 1 . . . A 875 LYS CE . 19955 1 1026 . 1 1 88 88 LYS N N 15 127.308 0.094 21 1 . . . A 875 LYS N . 19955 1 1027 . 1 1 89 89 PHE H H 1 7.328 0.005 40 1 . . . A 876 PHE H . 19955 1 1028 . 1 1 89 89 PHE HA H 1 4.911 0.006 18 1 . . . A 876 PHE HA . 19955 1 1029 . 1 1 89 89 PHE HB2 H 1 3.408 0.005 13 1 . . . A 876 PHE HB2 . 19955 1 1030 . 1 1 89 89 PHE HB3 H 1 2.586 0.009 12 1 . . . A 876 PHE HB3 . 19955 1 1031 . 1 1 89 89 PHE HD1 H 1 6.913 0.006 8 3 . . . A 876 PHE HD1 . 19955 1 1032 . 1 1 89 89 PHE HD2 H 1 6.913 0.006 8 3 . . . A 876 PHE HD2 . 19955 1 1033 . 1 1 89 89 PHE HE1 H 1 6.937 0.154 4 3 . . . A 876 PHE HE1 . 19955 1 1034 . 1 1 89 89 PHE HE2 H 1 6.937 0.154 4 3 . . . A 876 PHE HE2 . 19955 1 1035 . 1 1 89 89 PHE C C 13 174.050 0.017 2 1 . . . A 876 PHE C . 19955 1 1036 . 1 1 89 89 PHE CA C 13 53.845 0.050 9 1 . . . A 876 PHE CA . 19955 1 1037 . 1 1 89 89 PHE CB C 13 43.742 0.067 14 1 . . . A 876 PHE CB . 19955 1 1038 . 1 1 89 89 PHE N N 15 113.423 0.055 35 1 . . . A 876 PHE N . 19955 1 1039 . 1 1 90 90 ASN H H 1 8.666 0.005 33 1 . . . A 877 ASN H . 19955 1 1040 . 1 1 90 90 ASN HA H 1 4.789 0.012 10 1 . . . A 877 ASN HA . 19955 1 1041 . 1 1 90 90 ASN HB2 H 1 2.815 0.003 8 2 . . . A 877 ASN HB2 . 19955 1 1042 . 1 1 90 90 ASN HB3 H 1 2.815 0.003 8 2 . . . A 877 ASN HB3 . 19955 1 1043 . 1 1 90 90 ASN C C 13 174.454 0.004 2 1 . . . A 877 ASN C . 19955 1 1044 . 1 1 90 90 ASN CA C 13 53.535 0.103 8 1 . . . A 877 ASN CA . 19955 1 1045 . 1 1 90 90 ASN CB C 13 38.207 0.038 5 1 . . . A 877 ASN CB . 19955 1 1046 . 1 1 90 90 ASN N N 15 116.437 0.061 30 1 . . . A 877 ASN N . 19955 1 1047 . 1 1 91 91 PHE H H 1 8.433 0.015 26 1 . . . A 878 PHE H . 19955 1 1048 . 1 1 91 91 PHE HA H 1 4.665 0.009 8 1 . . . A 878 PHE HA . 19955 1 1049 . 1 1 91 91 PHE HB2 H 1 2.341 0.011 10 1 . . . A 878 PHE HB2 . 19955 1 1050 . 1 1 91 91 PHE HB3 H 1 0.970 0.014 6 1 . . . A 878 PHE HB3 . 19955 1 1051 . 1 1 91 91 PHE HD1 H 1 7.028 0.095 7 3 . . . A 878 PHE HD1 . 19955 1 1052 . 1 1 91 91 PHE HD2 H 1 7.028 0.095 7 3 . . . A 878 PHE HD2 . 19955 1 1053 . 1 1 91 91 PHE HE1 H 1 6.747 0.020 5 3 . . . A 878 PHE HE1 . 19955 1 1054 . 1 1 91 91 PHE HE2 H 1 6.747 0.020 5 3 . . . A 878 PHE HE2 . 19955 1 1055 . 1 1 91 91 PHE HZ H 1 7.548 0.060 3 1 . . . A 878 PHE HZ . 19955 1 1056 . 1 1 91 91 PHE C C 13 173.027 0.026 2 1 . . . A 878 PHE C . 19955 1 1057 . 1 1 91 91 PHE CA C 13 56.104 0.094 5 1 . . . A 878 PHE CA . 19955 1 1058 . 1 1 91 91 PHE CB C 13 42.086 0.188 4 1 . . . A 878 PHE CB . 19955 1 1059 . 1 1 91 91 PHE N N 15 123.179 0.052 23 1 . . . A 878 PHE N . 19955 1 1060 . 1 1 92 92 ASN H H 1 8.000 0.008 26 1 . . . A 879 ASN H . 19955 1 1061 . 1 1 92 92 ASN HA H 1 4.562 0.008 11 1 . . . A 879 ASN HA . 19955 1 1062 . 1 1 92 92 ASN HB2 H 1 2.362 0.012 6 2 . . . A 879 ASN HB2 . 19955 1 1063 . 1 1 92 92 ASN HB3 H 1 2.362 0.012 6 2 . . . A 879 ASN HB3 . 19955 1 1064 . 1 1 92 92 ASN C C 13 173.174 0.064 2 1 . . . A 879 ASN C . 19955 1 1065 . 1 1 92 92 ASN CA C 13 50.930 0.042 8 1 . . . A 879 ASN CA . 19955 1 1066 . 1 1 92 92 ASN CB C 13 39.387 0.072 5 1 . . . A 879 ASN CB . 19955 1 1067 . 1 1 92 92 ASN N N 15 127.113 0.050 25 1 . . . A 879 ASN N . 19955 1 1068 . 1 1 93 93 GLY H H 1 7.997 0.019 27 1 . . . A 880 GLY H . 19955 1 1069 . 1 1 93 93 GLY HA2 H 1 3.638 0.006 10 1 . . . A 880 GLY HA2 . 19955 1 1070 . 1 1 93 93 GLY HA3 H 1 3.175 0.004 14 1 . . . A 880 GLY HA3 . 19955 1 1071 . 1 1 93 93 GLY C C 13 173.383 0.030 3 1 . . . A 880 GLY C . 19955 1 1072 . 1 1 93 93 GLY CA C 13 45.658 0.109 12 1 . . . A 880 GLY CA . 19955 1 1073 . 1 1 93 93 GLY N N 15 110.949 0.051 24 1 . . . A 880 GLY N . 19955 1 1074 . 1 1 94 94 ASP H H 1 8.796 0.007 29 1 . . . A 881 ASP H . 19955 1 1075 . 1 1 94 94 ASP HA H 1 4.633 0.005 7 1 . . . A 881 ASP HA . 19955 1 1076 . 1 1 94 94 ASP HB2 H 1 2.690 0.004 9 2 . . . A 881 ASP HB2 . 19955 1 1077 . 1 1 94 94 ASP HB3 H 1 2.690 0.004 9 2 . . . A 881 ASP HB3 . 19955 1 1078 . 1 1 94 94 ASP C C 13 176.286 0.011 2 1 . . . A 881 ASP C . 19955 1 1079 . 1 1 94 94 ASP CA C 13 55.196 0.069 5 1 . . . A 881 ASP CA . 19955 1 1080 . 1 1 94 94 ASP CB C 13 43.140 0.145 7 1 . . . A 881 ASP CB . 19955 1 1081 . 1 1 94 94 ASP N N 15 122.408 0.054 26 1 . . . A 881 ASP N . 19955 1 1082 . 1 1 95 95 THR H H 1 7.541 0.005 31 1 . . . A 882 THR H . 19955 1 1083 . 1 1 95 95 THR HA H 1 4.583 0.014 12 1 . . . A 882 THR HA . 19955 1 1084 . 1 1 95 95 THR HB H 1 4.366 0.009 8 1 . . . A 882 THR HB . 19955 1 1085 . 1 1 95 95 THR HG1 H 1 0.933 0.000 1 1 . . . A 882 THR HG1 . 19955 1 1086 . 1 1 95 95 THR HG21 H 1 1.136 0.004 6 2 . . . A 882 THR HG21 . 19955 1 1087 . 1 1 95 95 THR HG22 H 1 1.136 0.004 6 2 . . . A 882 THR HG22 . 19955 1 1088 . 1 1 95 95 THR HG23 H 1 1.136 0.004 6 2 . . . A 882 THR HG23 . 19955 1 1089 . 1 1 95 95 THR C C 13 175.948 0.017 2 1 . . . A 882 THR C . 19955 1 1090 . 1 1 95 95 THR CA C 13 60.352 0.071 6 1 . . . A 882 THR CA . 19955 1 1091 . 1 1 95 95 THR CB C 13 71.649 0.092 4 1 . . . A 882 THR CB . 19955 1 1092 . 1 1 95 95 THR CG2 C 13 21.283 0.000 1 1 . . . A 882 THR CG2 . 19955 1 1093 . 1 1 95 95 THR N N 15 108.354 0.048 28 1 . . . A 882 THR N . 19955 1 1094 . 1 1 96 96 GLN H H 1 8.710 0.008 16 1 . . . A 883 GLN H . 19955 1 1095 . 1 1 96 96 GLN HA H 1 4.152 0.007 13 1 . . . A 883 GLN HA . 19955 1 1096 . 1 1 96 96 GLN HB2 H 1 2.108 0.005 9 2 . . . A 883 GLN HB2 . 19955 1 1097 . 1 1 96 96 GLN HB3 H 1 2.108 0.005 9 2 . . . A 883 GLN HB3 . 19955 1 1098 . 1 1 96 96 GLN HG2 H 1 2.404 0.004 8 2 . . . A 883 GLN HG2 . 19955 1 1099 . 1 1 96 96 GLN HG3 H 1 2.404 0.004 8 2 . . . A 883 GLN HG3 . 19955 1 1100 . 1 1 96 96 GLN C C 13 176.478 0.010 2 1 . . . A 883 GLN C . 19955 1 1101 . 1 1 96 96 GLN CA C 13 58.196 0.073 6 1 . . . A 883 GLN CA . 19955 1 1102 . 1 1 96 96 GLN CB C 13 28.669 0.140 6 1 . . . A 883 GLN CB . 19955 1 1103 . 1 1 96 96 GLN CG C 13 33.875 0.007 4 1 . . . A 883 GLN CG . 19955 1 1104 . 1 1 96 96 GLN N N 15 118.622 0.065 13 1 . . . A 883 GLN N . 19955 1 1105 . 1 1 97 97 VAL H H 1 7.260 0.015 29 1 . . . A 884 VAL H . 19955 1 1106 . 1 1 97 97 VAL HA H 1 4.207 0.006 10 1 . . . A 884 VAL HA . 19955 1 1107 . 1 1 97 97 VAL HB H 1 2.148 0.012 13 1 . . . A 884 VAL HB . 19955 1 1108 . 1 1 97 97 VAL HG11 H 1 0.861 0.003 7 2 . . . A 884 VAL HG11 . 19955 1 1109 . 1 1 97 97 VAL HG12 H 1 0.861 0.003 7 2 . . . A 884 VAL HG12 . 19955 1 1110 . 1 1 97 97 VAL HG13 H 1 0.861 0.003 7 2 . . . A 884 VAL HG13 . 19955 1 1111 . 1 1 97 97 VAL HG21 H 1 0.826 0.007 6 2 . . . A 884 VAL HG21 . 19955 1 1112 . 1 1 97 97 VAL HG22 H 1 0.826 0.007 6 2 . . . A 884 VAL HG22 . 19955 1 1113 . 1 1 97 97 VAL HG23 H 1 0.826 0.007 6 2 . . . A 884 VAL HG23 . 19955 1 1114 . 1 1 97 97 VAL C C 13 176.430 0.013 3 1 . . . A 884 VAL C . 19955 1 1115 . 1 1 97 97 VAL CA C 13 62.293 0.042 7 1 . . . A 884 VAL CA . 19955 1 1116 . 1 1 97 97 VAL CB C 13 31.924 0.117 6 1 . . . A 884 VAL CB . 19955 1 1117 . 1 1 97 97 VAL CG1 C 13 21.106 0.043 3 1 . . . A 884 VAL CG1 . 19955 1 1118 . 1 1 97 97 VAL CG2 C 13 20.078 0.000 1 1 . . . A 884 VAL CG2 . 19955 1 1119 . 1 1 97 97 VAL N N 15 111.473 0.047 26 1 . . . A 884 VAL N . 19955 1 1120 . 1 1 98 98 GLU H H 1 7.455 0.005 38 1 . . . A 885 GLU H . 19955 1 1121 . 1 1 98 98 GLU HA H 1 4.908 0.007 15 1 . . . A 885 GLU HA . 19955 1 1122 . 1 1 98 98 GLU HB2 H 1 2.306 0.018 11 1 . . . A 885 GLU HB2 . 19955 1 1123 . 1 1 98 98 GLU HB3 H 1 2.115 0.007 8 1 . . . A 885 GLU HB3 . 19955 1 1124 . 1 1 98 98 GLU HG2 H 1 2.289 0.019 4 2 . . . A 885 GLU HG2 . 19955 1 1125 . 1 1 98 98 GLU HG3 H 1 2.289 0.019 4 2 . . . A 885 GLU HG3 . 19955 1 1126 . 1 1 98 98 GLU C C 13 175.369 0.016 3 1 . . . A 885 GLU C . 19955 1 1127 . 1 1 98 98 GLU CA C 13 55.310 0.032 5 1 . . . A 885 GLU CA . 19955 1 1128 . 1 1 98 98 GLU CB C 13 31.789 0.138 4 1 . . . A 885 GLU CB . 19955 1 1129 . 1 1 98 98 GLU CG C 13 37.298 0.088 3 1 . . . A 885 GLU CG . 19955 1 1130 . 1 1 98 98 GLU N N 15 121.794 0.052 34 1 . . . A 885 GLU N . 19955 1 1131 . 1 1 99 99 MET H H 1 8.996 0.008 34 1 . . . A 886 MET H . 19955 1 1132 . 1 1 99 99 MET HA H 1 4.534 0.006 13 1 . . . A 886 MET HA . 19955 1 1133 . 1 1 99 99 MET HB2 H 1 2.163 0.005 8 1 . . . A 886 MET HB2 . 19955 1 1134 . 1 1 99 99 MET HB3 H 1 1.382 0.012 12 1 . . . A 886 MET HB3 . 19955 1 1135 . 1 1 99 99 MET HG2 H 1 2.387 0.034 9 2 . . . A 886 MET HG2 . 19955 1 1136 . 1 1 99 99 MET HG3 H 1 2.387 0.034 9 2 . . . A 886 MET HG3 . 19955 1 1137 . 1 1 99 99 MET C C 13 172.841 0.017 3 1 . . . A 886 MET C . 19955 1 1138 . 1 1 99 99 MET CA C 13 54.129 0.104 10 1 . . . A 886 MET CA . 19955 1 1139 . 1 1 99 99 MET CB C 13 35.157 0.046 11 1 . . . A 886 MET CB . 19955 1 1140 . 1 1 99 99 MET CG C 13 30.996 0.000 1 1 . . . A 886 MET CG . 19955 1 1141 . 1 1 99 99 MET N N 15 125.473 0.069 31 1 . . . A 886 MET N . 19955 1 1142 . 1 1 100 100 SER H H 1 7.888 0.007 37 1 . . . A 887 SER H . 19955 1 1143 . 1 1 100 100 SER HA H 1 4.402 0.004 10 1 . . . A 887 SER HA . 19955 1 1144 . 1 1 100 100 SER HB2 H 1 4.006 0.007 8 1 . . . A 887 SER HB2 . 19955 1 1145 . 1 1 100 100 SER HB3 H 1 3.654 0.002 7 1 . . . A 887 SER HB3 . 19955 1 1146 . 1 1 100 100 SER C C 13 174.667 0.027 2 1 . . . A 887 SER C . 19955 1 1147 . 1 1 100 100 SER CA C 13 58.612 0.041 9 1 . . . A 887 SER CA . 19955 1 1148 . 1 1 100 100 SER CB C 13 64.186 0.099 7 1 . . . A 887 SER CB . 19955 1 1149 . 1 1 100 100 SER N N 15 118.425 0.130 33 1 . . . A 887 SER N . 19955 1 1150 . 1 1 101 101 PHE H H 1 8.780 0.005 29 1 . . . A 888 PHE H . 19955 1 1151 . 1 1 101 101 PHE HA H 1 4.514 0.005 11 1 . . . A 888 PHE HA . 19955 1 1152 . 1 1 101 101 PHE HB2 H 1 3.161 0.012 7 1 . . . A 888 PHE HB2 . 19955 1 1153 . 1 1 101 101 PHE HB3 H 1 2.979 0.010 7 1 . . . A 888 PHE HB3 . 19955 1 1154 . 1 1 101 101 PHE HD1 H 1 6.752 0.008 7 3 . . . A 888 PHE HD1 . 19955 1 1155 . 1 1 101 101 PHE HD2 H 1 6.752 0.008 7 3 . . . A 888 PHE HD2 . 19955 1 1156 . 1 1 101 101 PHE HE1 H 1 6.734 0.001 2 3 . . . A 888 PHE HE1 . 19955 1 1157 . 1 1 101 101 PHE HE2 H 1 6.734 0.001 2 3 . . . A 888 PHE HE2 . 19955 1 1158 . 1 1 101 101 PHE C C 13 174.756 0.021 2 1 . . . A 888 PHE C . 19955 1 1159 . 1 1 101 101 PHE CA C 13 56.536 0.042 7 1 . . . A 888 PHE CA . 19955 1 1160 . 1 1 101 101 PHE CB C 13 39.802 0.054 8 1 . . . A 888 PHE CB . 19955 1 1161 . 1 1 101 101 PHE N N 15 116.363 0.030 25 1 . . . A 888 PHE N . 19955 1 1162 . 1 1 102 102 ARG H H 1 10.187 0.005 33 1 . . . A 889 ARG H . 19955 1 1163 . 1 1 102 102 ARG HA H 1 4.972 0.006 15 1 . . . A 889 ARG HA . 19955 1 1164 . 1 1 102 102 ARG HB2 H 1 1.881 0.007 6 1 . . . A 889 ARG HB2 . 19955 1 1165 . 1 1 102 102 ARG HB3 H 1 1.654 0.012 7 1 . . . A 889 ARG HB3 . 19955 1 1166 . 1 1 102 102 ARG HG2 H 1 1.634 0.010 5 2 . . . A 889 ARG HG2 . 19955 1 1167 . 1 1 102 102 ARG HG3 H 1 1.634 0.010 5 2 . . . A 889 ARG HG3 . 19955 1 1168 . 1 1 102 102 ARG HD2 H 1 3.104 0.005 11 2 . . . A 889 ARG HD2 . 19955 1 1169 . 1 1 102 102 ARG HD3 H 1 3.104 0.005 11 2 . . . A 889 ARG HD3 . 19955 1 1170 . 1 1 102 102 ARG C C 13 175.318 0.031 3 1 . . . A 889 ARG C . 19955 1 1171 . 1 1 102 102 ARG CA C 13 53.298 0.048 9 1 . . . A 889 ARG CA . 19955 1 1172 . 1 1 102 102 ARG CB C 13 32.886 0.098 7 1 . . . A 889 ARG CB . 19955 1 1173 . 1 1 102 102 ARG CG C 13 27.148 0.058 3 1 . . . A 889 ARG CG . 19955 1 1174 . 1 1 102 102 ARG CD C 13 42.845 0.014 5 1 . . . A 889 ARG CD . 19955 1 1175 . 1 1 102 102 ARG N N 15 121.944 0.043 30 1 . . . A 889 ARG N . 19955 1 1176 . 1 1 103 103 LYS H H 1 8.360 0.008 31 1 . . . A 890 LYS H . 19955 1 1177 . 1 1 103 103 LYS HA H 1 3.248 0.006 16 1 . . . A 890 LYS HA . 19955 1 1178 . 1 1 103 103 LYS HB2 H 1 1.593 0.008 8 1 . . . A 890 LYS HB2 . 19955 1 1179 . 1 1 103 103 LYS HB3 H 1 1.412 0.021 6 1 . . . A 890 LYS HB3 . 19955 1 1180 . 1 1 103 103 LYS HG2 H 1 1.084 0.009 9 2 . . . A 890 LYS HG2 . 19955 1 1181 . 1 1 103 103 LYS HG3 H 1 1.084 0.009 9 2 . . . A 890 LYS HG3 . 19955 1 1182 . 1 1 103 103 LYS HD2 H 1 1.603 0.007 4 2 . . . A 890 LYS HD2 . 19955 1 1183 . 1 1 103 103 LYS HD3 H 1 1.603 0.007 4 2 . . . A 890 LYS HD3 . 19955 1 1184 . 1 1 103 103 LYS HE2 H 1 2.917 0.008 4 2 . . . A 890 LYS HE2 . 19955 1 1185 . 1 1 103 103 LYS HE3 H 1 2.917 0.008 4 2 . . . A 890 LYS HE3 . 19955 1 1186 . 1 1 103 103 LYS C C 13 176.504 0.004 3 1 . . . A 890 LYS C . 19955 1 1187 . 1 1 103 103 LYS CA C 13 58.396 0.113 9 1 . . . A 890 LYS CA . 19955 1 1188 . 1 1 103 103 LYS CB C 13 32.829 0.065 8 1 . . . A 890 LYS CB . 19955 1 1189 . 1 1 103 103 LYS CG C 13 24.264 0.000 1 1 . . . A 890 LYS CG . 19955 1 1190 . 1 1 103 103 LYS CD C 13 29.460 0.000 1 1 . . . A 890 LYS CD . 19955 1 1191 . 1 1 103 103 LYS N N 15 119.991 0.103 28 1 . . . A 890 LYS N . 19955 1 1192 . 1 1 104 104 GLY H H 1 8.673 0.007 35 1 . . . A 891 GLY H . 19955 1 1193 . 1 1 104 104 GLY HA2 H 1 4.332 0.005 9 1 . . . A 891 GLY HA2 . 19955 1 1194 . 1 1 104 104 GLY HA3 H 1 3.382 0.014 9 1 . . . A 891 GLY HA3 . 19955 1 1195 . 1 1 104 104 GLY C C 13 174.298 0.001 2 1 . . . A 891 GLY C . 19955 1 1196 . 1 1 104 104 GLY CA C 13 44.668 0.082 8 1 . . . A 891 GLY CA . 19955 1 1197 . 1 1 104 104 GLY N N 15 113.950 0.045 32 1 . . . A 891 GLY N . 19955 1 1198 . 1 1 105 105 GLU H H 1 7.856 0.004 31 1 . . . A 892 GLU H . 19955 1 1199 . 1 1 105 105 GLU HA H 1 4.116 0.005 11 1 . . . A 892 GLU HA . 19955 1 1200 . 1 1 105 105 GLU HB2 H 1 1.990 0.009 8 1 . . . A 892 GLU HB2 . 19955 1 1201 . 1 1 105 105 GLU HB3 H 1 1.797 0.008 4 1 . . . A 892 GLU HB3 . 19955 1 1202 . 1 1 105 105 GLU HG2 H 1 2.670 0.008 11 2 . . . A 892 GLU HG2 . 19955 1 1203 . 1 1 105 105 GLU HG3 H 1 2.670 0.008 11 2 . . . A 892 GLU HG3 . 19955 1 1204 . 1 1 105 105 GLU C C 13 174.618 0.023 2 1 . . . A 892 GLU C . 19955 1 1205 . 1 1 105 105 GLU CA C 13 59.515 0.137 7 1 . . . A 892 GLU CA . 19955 1 1206 . 1 1 105 105 GLU CB C 13 30.581 0.180 7 1 . . . A 892 GLU CB . 19955 1 1207 . 1 1 105 105 GLU CG C 13 39.672 0.099 5 1 . . . A 892 GLU CG . 19955 1 1208 . 1 1 105 105 GLU N N 15 119.511 0.038 26 1 . . . A 892 GLU N . 19955 1 1209 . 1 1 106 106 ARG H H 1 8.120 0.007 29 1 . . . A 893 ARG H . 19955 1 1210 . 1 1 106 106 ARG HA H 1 4.597 0.008 18 1 . . . A 893 ARG HA . 19955 1 1211 . 1 1 106 106 ARG HB2 H 1 1.762 0.004 10 1 . . . A 893 ARG HB2 . 19955 1 1212 . 1 1 106 106 ARG HB3 H 1 1.625 0.028 5 1 . . . A 893 ARG HB3 . 19955 1 1213 . 1 1 106 106 ARG HG2 H 1 1.554 0.008 6 1 . . . A 893 ARG HG2 . 19955 1 1214 . 1 1 106 106 ARG HG3 H 1 1.387 0.006 9 1 . . . A 893 ARG HG3 . 19955 1 1215 . 1 1 106 106 ARG HD2 H 1 3.112 0.004 9 2 . . . A 893 ARG HD2 . 19955 1 1216 . 1 1 106 106 ARG HD3 H 1 3.112 0.004 9 2 . . . A 893 ARG HD3 . 19955 1 1217 . 1 1 106 106 ARG C C 13 174.836 0.050 3 1 . . . A 893 ARG C . 19955 1 1218 . 1 1 106 106 ARG CA C 13 55.528 0.113 9 1 . . . A 893 ARG CA . 19955 1 1219 . 1 1 106 106 ARG CB C 13 31.040 0.062 6 1 . . . A 893 ARG CB . 19955 1 1220 . 1 1 106 106 ARG CG C 13 28.054 0.022 7 1 . . . A 893 ARG CG . 19955 1 1221 . 1 1 106 106 ARG CD C 13 43.087 0.065 2 1 . . . A 893 ARG CD . 19955 1 1222 . 1 1 106 106 ARG N N 15 122.979 0.055 26 1 . . . A 893 ARG N . 19955 1 1223 . 1 1 107 107 ILE H H 1 8.586 0.009 30 1 . . . A 894 ILE H . 19955 1 1224 . 1 1 107 107 ILE HA H 1 4.063 0.005 13 1 . . . A 894 ILE HA . 19955 1 1225 . 1 1 107 107 ILE HB H 1 0.855 0.005 7 1 . . . A 894 ILE HB . 19955 1 1226 . 1 1 107 107 ILE HG21 H 1 0.430 0.005 9 2 . . . A 894 ILE HG21 . 19955 1 1227 . 1 1 107 107 ILE HG22 H 1 0.430 0.005 9 2 . . . A 894 ILE HG22 . 19955 1 1228 . 1 1 107 107 ILE HG23 H 1 0.430 0.005 9 2 . . . A 894 ILE HG23 . 19955 1 1229 . 1 1 107 107 ILE HD11 H 1 0.426 0.000 1 2 . . . A 894 ILE HD11 . 19955 1 1230 . 1 1 107 107 ILE HD12 H 1 0.426 0.000 1 2 . . . A 894 ILE HD12 . 19955 1 1231 . 1 1 107 107 ILE HD13 H 1 0.426 0.000 1 2 . . . A 894 ILE HD13 . 19955 1 1232 . 1 1 107 107 ILE C C 13 175.789 0.000 1 1 . . . A 894 ILE C . 19955 1 1233 . 1 1 107 107 ILE CA C 13 60.266 0.027 8 1 . . . A 894 ILE CA . 19955 1 1234 . 1 1 107 107 ILE CB C 13 43.427 0.030 2 1 . . . A 894 ILE CB . 19955 1 1235 . 1 1 107 107 ILE CG1 C 13 26.924 0.000 1 1 . . . A 894 ILE CG1 . 19955 1 1236 . 1 1 107 107 ILE CG2 C 13 18.167 0.000 1 1 . . . A 894 ILE CG2 . 19955 1 1237 . 1 1 107 107 ILE CD1 C 13 13.515 0.000 1 1 . . . A 894 ILE CD1 . 19955 1 1238 . 1 1 107 107 ILE N N 15 122.659 0.032 28 1 . . . A 894 ILE N . 19955 1 1239 . 1 1 108 108 THR H H 1 9.078 0.006 29 1 . . . A 895 THR H . 19955 1 1240 . 1 1 108 108 THR HA H 1 4.441 0.020 6 1 . . . A 895 THR HA . 19955 1 1241 . 1 1 108 108 THR HB H 1 3.881 0.003 7 1 . . . A 895 THR HB . 19955 1 1242 . 1 1 108 108 THR HG21 H 1 1.052 0.005 6 2 . . . A 895 THR HG21 . 19955 1 1243 . 1 1 108 108 THR HG22 H 1 1.052 0.005 6 2 . . . A 895 THR HG22 . 19955 1 1244 . 1 1 108 108 THR HG23 H 1 1.052 0.005 6 2 . . . A 895 THR HG23 . 19955 1 1245 . 1 1 108 108 THR C C 13 174.124 0.000 1 1 . . . A 895 THR C . 19955 1 1246 . 1 1 108 108 THR CA C 13 62.837 0.095 4 1 . . . A 895 THR CA . 19955 1 1247 . 1 1 108 108 THR CB C 13 69.246 0.098 6 1 . . . A 895 THR CB . 19955 1 1248 . 1 1 108 108 THR N N 15 124.709 0.071 27 1 . . . A 895 THR N . 19955 1 1249 . 1 1 109 109 LEU H H 1 8.583 0.001 2 1 . . . A 896 LEU H . 19955 1 1250 . 1 1 109 109 LEU HA H 1 4.389 0.010 5 1 . . . A 896 LEU HA . 19955 1 1251 . 1 1 109 109 LEU HB2 H 1 1.454 0.112 4 2 . . . A 896 LEU HB2 . 19955 1 1252 . 1 1 109 109 LEU HB3 H 1 1.454 0.112 4 2 . . . A 896 LEU HB3 . 19955 1 1253 . 1 1 109 109 LEU HG H 1 1.256 0.000 1 1 . . . A 896 LEU HG . 19955 1 1254 . 1 1 109 109 LEU HD11 H 1 0.403 0.016 2 2 . . . A 896 LEU HD11 . 19955 1 1255 . 1 1 109 109 LEU HD12 H 1 0.403 0.016 2 2 . . . A 896 LEU HD12 . 19955 1 1256 . 1 1 109 109 LEU HD13 H 1 0.403 0.016 2 2 . . . A 896 LEU HD13 . 19955 1 1257 . 1 1 109 109 LEU HD21 H 1 0.403 0.016 2 2 . . . A 896 LEU HD21 . 19955 1 1258 . 1 1 109 109 LEU HD22 H 1 0.403 0.016 2 2 . . . A 896 LEU HD22 . 19955 1 1259 . 1 1 109 109 LEU HD23 H 1 0.403 0.016 2 2 . . . A 896 LEU HD23 . 19955 1 1260 . 1 1 109 109 LEU C C 13 174.836 0.000 1 1 . . . A 896 LEU C . 19955 1 1261 . 1 1 109 109 LEU N N 15 122.648 0.000 1 1 . . . A 896 LEU N . 19955 1 1262 . 1 1 110 110 LEU H H 1 8.984 0.002 19 1 . . . A 897 LEU H . 19955 1 1263 . 1 1 110 110 LEU HA H 1 4.332 0.009 6 1 . . . A 897 LEU HA . 19955 1 1264 . 1 1 110 110 LEU HB2 H 1 1.346 0.009 7 2 . . . A 897 LEU HB2 . 19955 1 1265 . 1 1 110 110 LEU HB3 H 1 1.346 0.009 7 2 . . . A 897 LEU HB3 . 19955 1 1266 . 1 1 110 110 LEU HG H 1 0.581 0.003 7 1 . . . A 897 LEU HG . 19955 1 1267 . 1 1 110 110 LEU HD11 H 1 0.324 0.002 2 2 . . . A 897 LEU HD11 . 19955 1 1268 . 1 1 110 110 LEU HD12 H 1 0.324 0.002 2 2 . . . A 897 LEU HD12 . 19955 1 1269 . 1 1 110 110 LEU HD13 H 1 0.324 0.002 2 2 . . . A 897 LEU HD13 . 19955 1 1270 . 1 1 110 110 LEU HD21 H 1 0.324 0.002 2 2 . . . A 897 LEU HD21 . 19955 1 1271 . 1 1 110 110 LEU HD22 H 1 0.324 0.002 2 2 . . . A 897 LEU HD22 . 19955 1 1272 . 1 1 110 110 LEU HD23 H 1 0.324 0.002 2 2 . . . A 897 LEU HD23 . 19955 1 1273 . 1 1 110 110 LEU C C 13 176.645 0.000 1 1 . . . A 897 LEU C . 19955 1 1274 . 1 1 110 110 LEU CA C 13 56.226 0.055 6 1 . . . A 897 LEU CA . 19955 1 1275 . 1 1 110 110 LEU CB C 13 42.331 0.108 3 1 . . . A 897 LEU CB . 19955 1 1276 . 1 1 110 110 LEU CG C 13 24.597 0.000 1 1 . . . A 897 LEU CG . 19955 1 1277 . 1 1 110 110 LEU CD1 C 13 22.360 0.000 1 2 . . . A 897 LEU CD1 . 19955 1 1278 . 1 1 110 110 LEU CD2 C 13 22.360 0.000 1 2 . . . A 897 LEU CD2 . 19955 1 1279 . 1 1 110 110 LEU N N 15 124.502 0.081 17 1 . . . A 897 LEU N . 19955 1 1280 . 1 1 111 111 ARG H H 1 7.413 0.010 34 1 . . . A 898 ARG H . 19955 1 1281 . 1 1 111 111 ARG HA H 1 4.442 0.003 11 1 . . . A 898 ARG HA . 19955 1 1282 . 1 1 111 111 ARG HB2 H 1 2.138 0.006 6 1 . . . A 898 ARG HB2 . 19955 1 1283 . 1 1 111 111 ARG HB3 H 1 1.640 0.004 7 1 . . . A 898 ARG HB3 . 19955 1 1284 . 1 1 111 111 ARG HG2 H 1 1.423 0.007 6 1 . . . A 898 ARG HG2 . 19955 1 1285 . 1 1 111 111 ARG HG3 H 1 1.157 0.004 7 1 . . . A 898 ARG HG3 . 19955 1 1286 . 1 1 111 111 ARG HD2 H 1 3.013 0.040 11 2 . . . A 898 ARG HD2 . 19955 1 1287 . 1 1 111 111 ARG HD3 H 1 3.013 0.040 11 2 . . . A 898 ARG HD3 . 19955 1 1288 . 1 1 111 111 ARG C C 13 173.645 0.018 3 1 . . . A 898 ARG C . 19955 1 1289 . 1 1 111 111 ARG CA C 13 55.241 0.067 7 1 . . . A 898 ARG CA . 19955 1 1290 . 1 1 111 111 ARG CB C 13 31.609 0.139 7 1 . . . A 898 ARG CB . 19955 1 1291 . 1 1 111 111 ARG CG C 13 26.346 0.080 5 1 . . . A 898 ARG CG . 19955 1 1292 . 1 1 111 111 ARG CD C 13 43.360 0.024 5 1 . . . A 898 ARG CD . 19955 1 1293 . 1 1 111 111 ARG N N 15 108.422 0.081 30 1 . . . A 898 ARG N . 19955 1 1294 . 1 1 112 112 GLN H H 1 9.301 0.008 33 1 . . . A 899 GLN H . 19955 1 1295 . 1 1 112 112 GLN HA H 1 4.192 0.006 12 1 . . . A 899 GLN HA . 19955 1 1296 . 1 1 112 112 GLN HB2 H 1 1.914 0.009 5 1 . . . A 899 GLN HB2 . 19955 1 1297 . 1 1 112 112 GLN HB3 H 1 1.721 0.001 2 1 . . . A 899 GLN HB3 . 19955 1 1298 . 1 1 112 112 GLN HG2 H 1 2.179 0.007 5 1 . . . A 899 GLN HG2 . 19955 1 1299 . 1 1 112 112 GLN HG3 H 1 1.843 0.011 2 1 . . . A 899 GLN HG3 . 19955 1 1300 . 1 1 112 112 GLN C C 13 175.142 0.014 2 1 . . . A 899 GLN C . 19955 1 1301 . 1 1 112 112 GLN CA C 13 56.296 0.063 5 1 . . . A 899 GLN CA . 19955 1 1302 . 1 1 112 112 GLN CB C 13 28.489 0.089 5 1 . . . A 899 GLN CB . 19955 1 1303 . 1 1 112 112 GLN CG C 13 33.635 0.114 3 1 . . . A 899 GLN CG . 19955 1 1304 . 1 1 112 112 GLN N N 15 124.503 0.063 31 1 . . . A 899 GLN N . 19955 1 1305 . 1 1 113 113 VAL H H 1 8.475 0.007 28 1 . . . A 900 VAL H . 19955 1 1306 . 1 1 113 113 VAL HA H 1 3.666 0.009 9 1 . . . A 900 VAL HA . 19955 1 1307 . 1 1 113 113 VAL HB H 1 1.781 0.008 10 1 . . . A 900 VAL HB . 19955 1 1308 . 1 1 113 113 VAL HG11 H 1 0.727 0.012 12 2 . . . A 900 VAL HG11 . 19955 1 1309 . 1 1 113 113 VAL HG12 H 1 0.727 0.012 12 2 . . . A 900 VAL HG12 . 19955 1 1310 . 1 1 113 113 VAL HG13 H 1 0.727 0.012 12 2 . . . A 900 VAL HG13 . 19955 1 1311 . 1 1 113 113 VAL HG21 H 1 0.727 0.012 12 2 . . . A 900 VAL HG21 . 19955 1 1312 . 1 1 113 113 VAL HG22 H 1 0.727 0.012 12 2 . . . A 900 VAL HG22 . 19955 1 1313 . 1 1 113 113 VAL HG23 H 1 0.727 0.012 12 2 . . . A 900 VAL HG23 . 19955 1 1314 . 1 1 113 113 VAL C C 13 175.298 0.104 2 1 . . . A 900 VAL C . 19955 1 1315 . 1 1 113 113 VAL CA C 13 64.773 0.130 7 1 . . . A 900 VAL CA . 19955 1 1316 . 1 1 113 113 VAL CB C 13 32.821 0.029 5 1 . . . A 900 VAL CB . 19955 1 1317 . 1 1 113 113 VAL CG1 C 13 20.691 0.100 5 2 . . . A 900 VAL CG1 . 19955 1 1318 . 1 1 113 113 VAL CG2 C 13 20.691 0.100 5 2 . . . A 900 VAL CG2 . 19955 1 1319 . 1 1 113 113 VAL N N 15 129.109 0.055 25 1 . . . A 900 VAL N . 19955 1 1320 . 1 1 114 114 ASP H H 1 8.038 0.005 31 1 . . . A 901 ASP H . 19955 1 1321 . 1 1 114 114 ASP HA H 1 4.396 0.004 7 1 . . . A 901 ASP HA . 19955 1 1322 . 1 1 114 114 ASP HB2 H 1 2.987 0.023 6 2 . . . A 901 ASP HB2 . 19955 1 1323 . 1 1 114 114 ASP HB3 H 1 2.987 0.023 6 2 . . . A 901 ASP HB3 . 19955 1 1324 . 1 1 114 114 ASP C C 13 175.386 0.010 2 1 . . . A 901 ASP C . 19955 1 1325 . 1 1 114 114 ASP CA C 13 53.300 0.050 5 1 . . . A 901 ASP CA . 19955 1 1326 . 1 1 114 114 ASP CB C 13 40.163 0.091 4 1 . . . A 901 ASP CB . 19955 1 1327 . 1 1 114 114 ASP N N 15 118.573 0.053 28 1 . . . A 901 ASP N . 19955 1 1328 . 1 1 115 115 GLU H H 1 8.784 0.007 18 1 . . . A 902 GLU H . 19955 1 1329 . 1 1 115 115 GLU HA H 1 3.832 0.004 9 1 . . . A 902 GLU HA . 19955 1 1330 . 1 1 115 115 GLU HB2 H 1 1.940 0.007 7 2 . . . A 902 GLU HB2 . 19955 1 1331 . 1 1 115 115 GLU HB3 H 1 1.940 0.007 7 2 . . . A 902 GLU HB3 . 19955 1 1332 . 1 1 115 115 GLU HG2 H 1 2.215 0.007 6 2 . . . A 902 GLU HG2 . 19955 1 1333 . 1 1 115 115 GLU HG3 H 1 2.215 0.007 6 2 . . . A 902 GLU HG3 . 19955 1 1334 . 1 1 115 115 GLU C C 13 175.973 0.006 2 1 . . . A 902 GLU C . 19955 1 1335 . 1 1 115 115 GLU CA C 13 59.095 0.134 5 1 . . . A 902 GLU CA . 19955 1 1336 . 1 1 115 115 GLU CB C 13 29.507 0.107 5 1 . . . A 902 GLU CB . 19955 1 1337 . 1 1 115 115 GLU CG C 13 35.779 0.001 2 1 . . . A 902 GLU CG . 19955 1 1338 . 1 1 115 115 GLU N N 15 114.492 0.052 18 1 . . . A 902 GLU N . 19955 1 1339 . 1 1 116 116 ASN H H 1 8.763 0.007 27 1 . . . A 903 ASN H . 19955 1 1340 . 1 1 116 116 ASN HA H 1 4.864 0.010 14 1 . . . A 903 ASN HA . 19955 1 1341 . 1 1 116 116 ASN HB2 H 1 2.639 0.012 7 1 . . . A 903 ASN HB2 . 19955 1 1342 . 1 1 116 116 ASN HB3 H 1 2.362 0.008 8 1 . . . A 903 ASN HB3 . 19955 1 1343 . 1 1 116 116 ASN C C 13 175.238 0.035 2 1 . . . A 903 ASN C . 19955 1 1344 . 1 1 116 116 ASN CA C 13 53.800 0.055 9 1 . . . A 903 ASN CA . 19955 1 1345 . 1 1 116 116 ASN CB C 13 42.210 0.113 4 1 . . . A 903 ASN CB . 19955 1 1346 . 1 1 116 116 ASN N N 15 113.835 0.082 23 1 . . . A 903 ASN N . 19955 1 1347 . 1 1 117 117 TRP H H 1 8.141 0.005 29 1 . . . A 904 TRP H . 19955 1 1348 . 1 1 117 117 TRP HA H 1 4.950 0.007 9 1 . . . A 904 TRP HA . 19955 1 1349 . 1 1 117 117 TRP HB2 H 1 2.745 0.007 15 2 . . . A 904 TRP HB2 . 19955 1 1350 . 1 1 117 117 TRP HB3 H 1 2.745 0.007 15 2 . . . A 904 TRP HB3 . 19955 1 1351 . 1 1 117 117 TRP HD1 H 1 8.021 0.000 1 1 . . . A 904 TRP HD1 . 19955 1 1352 . 1 1 117 117 TRP HE1 H 1 10.108 0.037 11 1 . . . A 904 TRP HE1 . 19955 1 1353 . 1 1 117 117 TRP HE3 H 1 6.914 0.003 2 1 . . . A 904 TRP HE3 . 19955 1 1354 . 1 1 117 117 TRP HZ2 H 1 7.292 0.000 1 3 . . . A 904 TRP HZ2 . 19955 1 1355 . 1 1 117 117 TRP HZ3 H 1 7.292 0.000 1 3 . . . A 904 TRP HZ3 . 19955 1 1356 . 1 1 117 117 TRP C C 13 175.223 0.016 3 1 . . . A 904 TRP C . 19955 1 1357 . 1 1 117 117 TRP CA C 13 57.179 0.092 5 1 . . . A 904 TRP CA . 19955 1 1358 . 1 1 117 117 TRP CB C 13 31.286 0.129 7 1 . . . A 904 TRP CB . 19955 1 1359 . 1 1 117 117 TRP N N 15 121.517 0.078 27 1 . . . A 904 TRP N . 19955 1 1360 . 1 1 117 117 TRP NE1 N 15 130.046 0.026 8 1 . . . A 904 TRP NE1 . 19955 1 1361 . 1 1 118 118 TYR H H 1 8.550 0.006 29 1 . . . A 905 TYR H . 19955 1 1362 . 1 1 118 118 TYR HA H 1 4.916 0.006 20 1 . . . A 905 TYR HA . 19955 1 1363 . 1 1 118 118 TYR HB2 H 1 2.513 0.010 9 1 . . . A 905 TYR HB2 . 19955 1 1364 . 1 1 118 118 TYR HB3 H 1 1.780 0.010 7 1 . . . A 905 TYR HB3 . 19955 1 1365 . 1 1 118 118 TYR HD1 H 1 6.873 0.009 5 3 . . . A 905 TYR HD1 . 19955 1 1366 . 1 1 118 118 TYR HD2 H 1 6.873 0.009 5 3 . . . A 905 TYR HD2 . 19955 1 1367 . 1 1 118 118 TYR HE1 H 1 6.594 0.005 5 3 . . . A 905 TYR HE1 . 19955 1 1368 . 1 1 118 118 TYR HE2 H 1 6.594 0.005 5 3 . . . A 905 TYR HE2 . 19955 1 1369 . 1 1 118 118 TYR C C 13 173.702 0.017 2 1 . . . A 905 TYR C . 19955 1 1370 . 1 1 118 118 TYR CA C 13 56.460 0.071 10 1 . . . A 905 TYR CA . 19955 1 1371 . 1 1 118 118 TYR CB C 13 43.401 0.123 7 1 . . . A 905 TYR CB . 19955 1 1372 . 1 1 118 118 TYR N N 15 121.365 0.050 26 1 . . . A 905 TYR N . 19955 1 1373 . 1 1 119 119 GLU H H 1 8.707 0.005 30 1 . . . A 906 GLU H . 19955 1 1374 . 1 1 119 119 GLU HA H 1 4.885 0.008 11 1 . . . A 906 GLU HA . 19955 1 1375 . 1 1 119 119 GLU HB2 H 1 2.031 0.007 3 1 . . . A 906 GLU HB2 . 19955 1 1376 . 1 1 119 119 GLU HB3 H 1 1.568 0.010 4 1 . . . A 906 GLU HB3 . 19955 1 1377 . 1 1 119 119 GLU HG2 H 1 2.103 0.005 7 2 . . . A 906 GLU HG2 . 19955 1 1378 . 1 1 119 119 GLU HG3 H 1 2.103 0.005 7 2 . . . A 906 GLU HG3 . 19955 1 1379 . 1 1 119 119 GLU C C 13 176.159 0.017 2 1 . . . A 906 GLU C . 19955 1 1380 . 1 1 119 119 GLU CA C 13 54.795 0.097 9 1 . . . A 906 GLU CA . 19955 1 1381 . 1 1 119 119 GLU CB C 13 32.590 0.161 3 1 . . . A 906 GLU CB . 19955 1 1382 . 1 1 119 119 GLU CG C 13 36.316 0.000 1 1 . . . A 906 GLU CG . 19955 1 1383 . 1 1 119 119 GLU N N 15 117.356 0.109 28 1 . . . A 906 GLU N . 19955 1 1384 . 1 1 120 120 GLY H H 1 9.334 0.007 32 1 . . . A 907 GLY H . 19955 1 1385 . 1 1 120 120 GLY HA2 H 1 5.120 0.015 13 1 . . . A 907 GLY HA2 . 19955 1 1386 . 1 1 120 120 GLY HA3 H 1 3.896 0.009 12 1 . . . A 907 GLY HA3 . 19955 1 1387 . 1 1 120 120 GLY C C 13 169.408 0.021 3 1 . . . A 907 GLY C . 19955 1 1388 . 1 1 120 120 GLY CA C 13 45.734 0.166 15 1 . . . A 907 GLY CA . 19955 1 1389 . 1 1 120 120 GLY N N 15 114.506 0.048 27 1 . . . A 907 GLY N . 19955 1 1390 . 1 1 121 121 ARG H H 1 8.694 0.005 31 1 . . . A 908 ARG H . 19955 1 1391 . 1 1 121 121 ARG HA H 1 5.377 0.004 15 1 . . . A 908 ARG HA . 19955 1 1392 . 1 1 121 121 ARG HB2 H 1 1.924 0.009 14 1 . . . A 908 ARG HB2 . 19955 1 1393 . 1 1 121 121 ARG HB3 H 1 1.629 0.006 7 1 . . . A 908 ARG HB3 . 19955 1 1394 . 1 1 121 121 ARG HG2 H 1 1.358 0.010 10 2 . . . A 908 ARG HG2 . 19955 1 1395 . 1 1 121 121 ARG HG3 H 1 1.358 0.010 10 2 . . . A 908 ARG HG3 . 19955 1 1396 . 1 1 121 121 ARG HD2 H 1 3.119 0.004 5 2 . . . A 908 ARG HD2 . 19955 1 1397 . 1 1 121 121 ARG HD3 H 1 3.119 0.004 5 2 . . . A 908 ARG HD3 . 19955 1 1398 . 1 1 121 121 ARG C C 13 173.981 0.007 3 1 . . . A 908 ARG C . 19955 1 1399 . 1 1 121 121 ARG CA C 13 54.277 0.076 12 1 . . . A 908 ARG CA . 19955 1 1400 . 1 1 121 121 ARG CB C 13 34.589 0.080 8 1 . . . A 908 ARG CB . 19955 1 1401 . 1 1 121 121 ARG CG C 13 26.213 0.186 3 1 . . . A 908 ARG CG . 19955 1 1402 . 1 1 121 121 ARG CD C 13 43.323 0.000 1 1 . . . A 908 ARG CD . 19955 1 1403 . 1 1 121 121 ARG N N 15 114.660 0.049 28 1 . . . A 908 ARG N . 19955 1 1404 . 1 1 122 122 ILE H H 1 7.757 0.006 40 1 . . . A 909 ILE H . 19955 1 1405 . 1 1 122 122 ILE HA H 1 4.919 0.014 10 1 . . . A 909 ILE HA . 19955 1 1406 . 1 1 122 122 ILE HB H 1 1.715 0.007 6 1 . . . A 909 ILE HB . 19955 1 1407 . 1 1 122 122 ILE HG12 H 1 1.000 0.001 4 2 . . . A 909 ILE HG12 . 19955 1 1408 . 1 1 122 122 ILE HG13 H 1 1.000 0.001 4 2 . . . A 909 ILE HG13 . 19955 1 1409 . 1 1 122 122 ILE HG21 H 1 0.617 0.006 5 2 . . . A 909 ILE HG21 . 19955 1 1410 . 1 1 122 122 ILE HG22 H 1 0.617 0.006 5 2 . . . A 909 ILE HG22 . 19955 1 1411 . 1 1 122 122 ILE HG23 H 1 0.617 0.006 5 2 . . . A 909 ILE HG23 . 19955 1 1412 . 1 1 122 122 ILE C C 13 175.024 0.000 1 1 . . . A 909 ILE C . 19955 1 1413 . 1 1 122 122 ILE CA C 13 56.699 0.044 5 1 . . . A 909 ILE CA . 19955 1 1414 . 1 1 122 122 ILE CB C 13 35.387 0.026 5 1 . . . A 909 ILE CB . 19955 1 1415 . 1 1 122 122 ILE N N 15 124.579 0.038 35 1 . . . A 909 ILE N . 19955 1 1416 . 1 1 123 123 PRO HA H 1 4.629 0.069 3 1 . . . A 910 PRO HA . 19955 1 1417 . 1 1 123 123 PRO HB2 H 1 1.289 0.007 2 2 . . . A 910 PRO HB2 . 19955 1 1418 . 1 1 123 123 PRO HB3 H 1 1.289 0.007 2 2 . . . A 910 PRO HB3 . 19955 1 1419 . 1 1 123 123 PRO HD2 H 1 3.918 0.000 1 2 . . . A 910 PRO HD2 . 19955 1 1420 . 1 1 123 123 PRO HD3 H 1 3.918 0.000 1 2 . . . A 910 PRO HD3 . 19955 1 1421 . 1 1 123 123 PRO C C 13 176.353 0.000 1 1 . . . A 910 PRO C . 19955 1 1422 . 1 1 123 123 PRO CA C 13 52.798 0.000 1 1 . . . A 910 PRO CA . 19955 1 1423 . 1 1 123 123 PRO CB C 13 30.408 0.000 1 1 . . . A 910 PRO CB . 19955 1 1424 . 1 1 124 124 GLY H H 1 7.869 0.010 12 1 . . . A 911 GLY H . 19955 1 1425 . 1 1 124 124 GLY HA2 H 1 4.120 0.053 8 1 . . . A 911 GLY HA2 . 19955 1 1426 . 1 1 124 124 GLY HA3 H 1 3.919 0.297 7 1 . . . A 911 GLY HA3 . 19955 1 1427 . 1 1 124 124 GLY C C 13 173.987 0.005 2 1 . . . A 911 GLY C . 19955 1 1428 . 1 1 124 124 GLY CA C 13 45.332 0.152 8 1 . . . A 911 GLY CA . 19955 1 1429 . 1 1 124 124 GLY N N 15 118.118 0.129 11 1 . . . A 911 GLY N . 19955 1 1430 . 1 1 125 125 THR H H 1 7.743 0.007 27 1 . . . A 912 THR H . 19955 1 1431 . 1 1 125 125 THR HA H 1 4.469 0.039 6 1 . . . A 912 THR HA . 19955 1 1432 . 1 1 125 125 THR HB H 1 4.098 0.000 1 1 . . . A 912 THR HB . 19955 1 1433 . 1 1 125 125 THR HG21 H 1 1.136 0.002 4 2 . . . A 912 THR HG21 . 19955 1 1434 . 1 1 125 125 THR HG22 H 1 1.136 0.002 4 2 . . . A 912 THR HG22 . 19955 1 1435 . 1 1 125 125 THR HG23 H 1 1.136 0.002 4 2 . . . A 912 THR HG23 . 19955 1 1436 . 1 1 125 125 THR C C 13 174.144 0.020 2 1 . . . A 912 THR C . 19955 1 1437 . 1 1 125 125 THR CA C 13 60.194 0.074 3 1 . . . A 912 THR CA . 19955 1 1438 . 1 1 125 125 THR CB C 13 72.812 0.000 1 1 . . . A 912 THR CB . 19955 1 1439 . 1 1 125 125 THR N N 15 109.041 0.040 23 1 . . . A 912 THR N . 19955 1 1440 . 1 1 126 126 SER H H 1 7.896 0.009 10 1 . . . A 913 SER H . 19955 1 1441 . 1 1 126 126 SER HA H 1 4.671 0.020 10 1 . . . A 913 SER HA . 19955 1 1442 . 1 1 126 126 SER HB2 H 1 4.047 0.009 5 1 . . . A 913 SER HB2 . 19955 1 1443 . 1 1 126 126 SER HB3 H 1 3.896 0.013 4 1 . . . A 913 SER HB3 . 19955 1 1444 . 1 1 126 126 SER C C 13 174.781 0.006 2 1 . . . A 913 SER C . 19955 1 1445 . 1 1 126 126 SER CA C 13 57.411 0.076 5 1 . . . A 913 SER CA . 19955 1 1446 . 1 1 126 126 SER CB C 13 63.258 0.057 3 1 . . . A 913 SER CB . 19955 1 1447 . 1 1 126 126 SER N N 15 126.292 0.021 9 1 . . . A 913 SER N . 19955 1 1448 . 1 1 127 127 ARG H H 1 8.631 0.010 29 1 . . . A 914 ARG H . 19955 1 1449 . 1 1 127 127 ARG HA H 1 4.253 0.020 8 1 . . . A 914 ARG HA . 19955 1 1450 . 1 1 127 127 ARG HB2 H 1 1.915 0.022 3 1 . . . A 914 ARG HB2 . 19955 1 1451 . 1 1 127 127 ARG HB3 H 1 1.725 0.004 3 1 . . . A 914 ARG HB3 . 19955 1 1452 . 1 1 127 127 ARG HG2 H 1 1.745 0.014 2 2 . . . A 914 ARG HG2 . 19955 1 1453 . 1 1 127 127 ARG HG3 H 1 1.745 0.014 2 2 . . . A 914 ARG HG3 . 19955 1 1454 . 1 1 127 127 ARG C C 13 174.712 0.015 2 1 . . . A 914 ARG C . 19955 1 1455 . 1 1 127 127 ARG CA C 13 56.960 0.062 3 1 . . . A 914 ARG CA . 19955 1 1456 . 1 1 127 127 ARG CB C 13 30.694 0.137 3 1 . . . A 914 ARG CB . 19955 1 1457 . 1 1 127 127 ARG CG C 13 25.612 0.000 1 1 . . . A 914 ARG CG . 19955 1 1458 . 1 1 127 127 ARG CD C 13 44.550 0.000 1 1 . . . A 914 ARG CD . 19955 1 1459 . 1 1 127 127 ARG N N 15 124.284 0.055 24 1 . . . A 914 ARG N . 19955 1 1460 . 1 1 128 128 GLN H H 1 8.054 0.007 27 1 . . . A 915 GLN H . 19955 1 1461 . 1 1 128 128 GLN HA H 1 5.381 0.006 16 1 . . . A 915 GLN HA . 19955 1 1462 . 1 1 128 128 GLN HB2 H 1 2.174 0.005 7 1 . . . A 915 GLN HB2 . 19955 1 1463 . 1 1 128 128 GLN HB3 H 1 1.796 0.010 5 1 . . . A 915 GLN HB3 . 19955 1 1464 . 1 1 128 128 GLN HG2 H 1 2.388 0.019 8 2 . . . A 915 GLN HG2 . 19955 1 1465 . 1 1 128 128 GLN HG3 H 1 2.388 0.019 8 2 . . . A 915 GLN HG3 . 19955 1 1466 . 1 1 128 128 GLN C C 13 174.377 0.009 3 1 . . . A 915 GLN C . 19955 1 1467 . 1 1 128 128 GLN CA C 13 55.566 0.048 10 1 . . . A 915 GLN CA . 19955 1 1468 . 1 1 128 128 GLN CB C 13 31.006 0.187 5 1 . . . A 915 GLN CB . 19955 1 1469 . 1 1 128 128 GLN CG C 13 32.756 0.000 1 1 . . . A 915 GLN CG . 19955 1 1470 . 1 1 128 128 GLN N N 15 124.297 0.039 24 1 . . . A 915 GLN N . 19955 1 1471 . 1 1 129 129 GLY H H 1 8.818 0.006 35 1 . . . A 916 GLY H . 19955 1 1472 . 1 1 129 129 GLY HA2 H 1 4.510 0.016 6 1 . . . A 916 GLY HA2 . 19955 1 1473 . 1 1 129 129 GLY HA3 H 1 4.391 0.023 10 1 . . . A 916 GLY HA3 . 19955 1 1474 . 1 1 129 129 GLY C C 13 172.185 0.009 3 1 . . . A 916 GLY C . 19955 1 1475 . 1 1 129 129 GLY CA C 13 45.247 0.103 9 1 . . . A 916 GLY CA . 19955 1 1476 . 1 1 129 129 GLY N N 15 112.028 0.050 31 1 . . . A 916 GLY N . 19955 1 1477 . 1 1 130 130 ILE H H 1 8.714 0.011 13 1 . . . A 917 ILE H . 19955 1 1478 . 1 1 130 130 ILE HA H 1 6.028 0.005 12 1 . . . A 917 ILE HA . 19955 1 1479 . 1 1 130 130 ILE HB H 1 1.897 0.010 9 1 . . . A 917 ILE HB . 19955 1 1480 . 1 1 130 130 ILE HG12 H 1 1.325 0.002 2 2 . . . A 917 ILE HG12 . 19955 1 1481 . 1 1 130 130 ILE HG13 H 1 1.325 0.002 2 2 . . . A 917 ILE HG13 . 19955 1 1482 . 1 1 130 130 ILE HG21 H 1 0.774 0.008 7 2 . . . A 917 ILE HG21 . 19955 1 1483 . 1 1 130 130 ILE HG22 H 1 0.774 0.008 7 2 . . . A 917 ILE HG22 . 19955 1 1484 . 1 1 130 130 ILE HG23 H 1 0.774 0.008 7 2 . . . A 917 ILE HG23 . 19955 1 1485 . 1 1 130 130 ILE HD11 H 1 0.477 0.408 2 2 . . . A 917 ILE HD11 . 19955 1 1486 . 1 1 130 130 ILE HD12 H 1 0.477 0.408 2 2 . . . A 917 ILE HD12 . 19955 1 1487 . 1 1 130 130 ILE HD13 H 1 0.477 0.408 2 2 . . . A 917 ILE HD13 . 19955 1 1488 . 1 1 130 130 ILE C C 13 176.584 0.003 2 1 . . . A 917 ILE C . 19955 1 1489 . 1 1 130 130 ILE CA C 13 59.979 0.031 8 1 . . . A 917 ILE CA . 19955 1 1490 . 1 1 130 130 ILE CB C 13 41.225 0.278 5 1 . . . A 917 ILE CB . 19955 1 1491 . 1 1 130 130 ILE CG1 C 13 25.893 0.000 1 1 . . . A 917 ILE CG1 . 19955 1 1492 . 1 1 130 130 ILE CG2 C 13 17.135 0.000 1 1 . . . A 917 ILE CG2 . 19955 1 1493 . 1 1 130 130 ILE CD1 C 13 12.421 0.000 1 1 . . . A 917 ILE CD1 . 19955 1 1494 . 1 1 130 130 ILE N N 15 113.634 0.081 11 1 . . . A 917 ILE N . 19955 1 1495 . 1 1 131 131 PHE H H 1 8.573 0.006 28 1 . . . A 918 PHE H . 19955 1 1496 . 1 1 131 131 PHE HD1 H 1 7.072 0.020 5 3 . . . A 918 PHE HD1 . 19955 1 1497 . 1 1 131 131 PHE HD2 H 1 7.072 0.020 5 3 . . . A 918 PHE HD2 . 19955 1 1498 . 1 1 131 131 PHE HE1 H 1 6.783 0.012 5 3 . . . A 918 PHE HE1 . 19955 1 1499 . 1 1 131 131 PHE HE2 H 1 6.783 0.012 5 3 . . . A 918 PHE HE2 . 19955 1 1500 . 1 1 131 131 PHE C C 13 170.959 0.000 1 1 . . . A 918 PHE C . 19955 1 1501 . 1 1 131 131 PHE CA C 13 55.619 0.000 1 1 . . . A 918 PHE CA . 19955 1 1502 . 1 1 131 131 PHE CB C 13 38.622 0.000 1 1 . . . A 918 PHE CB . 19955 1 1503 . 1 1 131 131 PHE N N 15 115.806 0.044 27 1 . . . A 918 PHE N . 19955 1 1504 . 1 1 132 132 PRO HA H 1 4.100 0.010 8 1 . . . A 919 PRO HA . 19955 1 1505 . 1 1 132 132 PRO HB2 H 1 1.497 0.010 6 2 . . . A 919 PRO HB2 . 19955 1 1506 . 1 1 132 132 PRO HB3 H 1 1.497 0.010 6 2 . . . A 919 PRO HB3 . 19955 1 1507 . 1 1 132 132 PRO HG2 H 1 1.015 0.000 1 2 . . . A 919 PRO HG2 . 19955 1 1508 . 1 1 132 132 PRO HG3 H 1 1.015 0.000 1 2 . . . A 919 PRO HG3 . 19955 1 1509 . 1 1 132 132 PRO C C 13 178.655 0.000 2 1 . . . A 919 PRO C . 19955 1 1510 . 1 1 132 132 PRO CA C 13 60.998 0.074 5 1 . . . A 919 PRO CA . 19955 1 1511 . 1 1 132 132 PRO CB C 13 31.210 0.070 4 1 . . . A 919 PRO CB . 19955 1 1512 . 1 1 132 132 PRO CG C 13 26.843 0.000 1 1 . . . A 919 PRO CG . 19955 1 1513 . 1 1 132 132 PRO CD C 13 50.414 0.000 1 1 . . . A 919 PRO CD . 19955 1 1514 . 1 1 133 133 ILE H H 1 7.949 0.009 34 1 . . . A 920 ILE H . 19955 1 1515 . 1 1 133 133 ILE HA H 1 3.691 0.003 13 1 . . . A 920 ILE HA . 19955 1 1516 . 1 1 133 133 ILE HB H 1 1.443 0.006 14 1 . . . A 920 ILE HB . 19955 1 1517 . 1 1 133 133 ILE HG12 H 1 0.996 0.006 11 1 . . . A 920 ILE HG12 . 19955 1 1518 . 1 1 133 133 ILE HG13 H 1 0.996 0.006 11 1 . . . A 920 ILE HG13 . 19955 1 1519 . 1 1 133 133 ILE HG21 H 1 0.662 0.005 9 2 . . . A 920 ILE HG21 . 19955 1 1520 . 1 1 133 133 ILE HG22 H 1 0.662 0.005 9 2 . . . A 920 ILE HG22 . 19955 1 1521 . 1 1 133 133 ILE HG23 H 1 0.662 0.005 9 2 . . . A 920 ILE HG23 . 19955 1 1522 . 1 1 133 133 ILE HD11 H 1 0.357 0.022 20 2 . . . A 920 ILE HD11 . 19955 1 1523 . 1 1 133 133 ILE HD12 H 1 0.357 0.022 20 2 . . . A 920 ILE HD12 . 19955 1 1524 . 1 1 133 133 ILE HD13 H 1 0.357 0.022 20 2 . . . A 920 ILE HD13 . 19955 1 1525 . 1 1 133 133 ILE C C 13 176.798 0.023 2 1 . . . A 920 ILE C . 19955 1 1526 . 1 1 133 133 ILE CA C 13 63.373 0.030 9 1 . . . A 920 ILE CA . 19955 1 1527 . 1 1 133 133 ILE CB C 13 38.851 0.082 9 1 . . . A 920 ILE CB . 19955 1 1528 . 1 1 133 133 ILE CG1 C 13 28.112 0.116 5 1 . . . A 920 ILE CG1 . 19955 1 1529 . 1 1 133 133 ILE CG2 C 13 16.994 0.000 1 1 . . . A 920 ILE CG2 . 19955 1 1530 . 1 1 133 133 ILE CD1 C 13 13.441 0.134 10 1 . . . A 920 ILE CD1 . 19955 1 1531 . 1 1 133 133 ILE N N 15 123.677 0.068 32 1 . . . A 920 ILE N . 19955 1 1532 . 1 1 134 134 THR H H 1 7.500 0.007 34 1 . . . A 921 THR H . 19955 1 1533 . 1 1 134 134 THR HA H 1 4.294 0.037 4 1 . . . A 921 THR HA . 19955 1 1534 . 1 1 134 134 THR HB H 1 4.145 0.027 6 1 . . . A 921 THR HB . 19955 1 1535 . 1 1 134 134 THR HG21 H 1 1.212 0.005 4 2 . . . A 921 THR HG21 . 19955 1 1536 . 1 1 134 134 THR HG22 H 1 1.212 0.005 4 2 . . . A 921 THR HG22 . 19955 1 1537 . 1 1 134 134 THR HG23 H 1 1.212 0.005 4 2 . . . A 921 THR HG23 . 19955 1 1538 . 1 1 134 134 THR C C 13 175.639 0.005 2 1 . . . A 921 THR C . 19955 1 1539 . 1 1 134 134 THR CA C 13 62.983 0.066 5 1 . . . A 921 THR CA . 19955 1 1540 . 1 1 134 134 THR CB C 13 69.104 0.242 4 1 . . . A 921 THR CB . 19955 1 1541 . 1 1 134 134 THR CG2 C 13 21.861 0.000 1 1 . . . A 921 THR CG2 . 19955 1 1542 . 1 1 134 134 THR N N 15 106.993 0.076 31 1 . . . A 921 THR N . 19955 1 1543 . 1 1 135 135 TYR H H 1 7.836 0.006 32 1 . . . A 922 TYR H . 19955 1 1544 . 1 1 135 135 TYR HA H 1 4.640 0.094 9 1 . . . A 922 TYR HA . 19955 1 1545 . 1 1 135 135 TYR HB2 H 1 3.604 0.005 4 1 . . . A 922 TYR HB2 . 19955 1 1546 . 1 1 135 135 TYR HB3 H 1 3.222 0.010 6 1 . . . A 922 TYR HB3 . 19955 1 1547 . 1 1 135 135 TYR HD1 H 1 7.114 0.014 6 3 . . . A 922 TYR HD1 . 19955 1 1548 . 1 1 135 135 TYR HD2 H 1 7.114 0.014 6 3 . . . A 922 TYR HD2 . 19955 1 1549 . 1 1 135 135 TYR HE1 H 1 6.867 0.221 3 3 . . . A 922 TYR HE1 . 19955 1 1550 . 1 1 135 135 TYR HE2 H 1 6.867 0.221 3 3 . . . A 922 TYR HE2 . 19955 1 1551 . 1 1 135 135 TYR C C 13 175.481 0.011 2 1 . . . A 922 TYR C . 19955 1 1552 . 1 1 135 135 TYR CA C 13 59.448 0.093 6 1 . . . A 922 TYR CA . 19955 1 1553 . 1 1 135 135 TYR CB C 13 38.600 0.095 5 1 . . . A 922 TYR CB . 19955 1 1554 . 1 1 135 135 TYR N N 15 118.600 0.027 30 1 . . . A 922 TYR N . 19955 1 1555 . 1 1 136 136 VAL H H 1 7.701 0.007 27 1 . . . A 923 VAL H . 19955 1 1556 . 1 1 136 136 VAL HA H 1 4.959 0.006 18 1 . . . A 923 VAL HA . 19955 1 1557 . 1 1 136 136 VAL HB H 1 1.712 0.010 13 1 . . . A 923 VAL HB . 19955 1 1558 . 1 1 136 136 VAL HG11 H 1 0.424 0.008 21 2 . . . A 923 VAL HG11 . 19955 1 1559 . 1 1 136 136 VAL HG12 H 1 0.424 0.008 21 2 . . . A 923 VAL HG12 . 19955 1 1560 . 1 1 136 136 VAL HG13 H 1 0.424 0.008 21 2 . . . A 923 VAL HG13 . 19955 1 1561 . 1 1 136 136 VAL HG21 H 1 0.871 0.003 16 2 . . . A 923 VAL HG21 . 19955 1 1562 . 1 1 136 136 VAL HG22 H 1 0.871 0.003 16 2 . . . A 923 VAL HG22 . 19955 1 1563 . 1 1 136 136 VAL HG23 H 1 0.871 0.003 16 2 . . . A 923 VAL HG23 . 19955 1 1564 . 1 1 136 136 VAL C C 13 172.905 0.019 3 1 . . . A 923 VAL C . 19955 1 1565 . 1 1 136 136 VAL CA C 13 58.490 0.058 10 1 . . . A 923 VAL CA . 19955 1 1566 . 1 1 136 136 VAL CB C 13 35.287 0.122 7 1 . . . A 923 VAL CB . 19955 1 1567 . 1 1 136 136 VAL CG1 C 13 22.947 0.100 7 1 . . . A 923 VAL CG1 . 19955 1 1568 . 1 1 136 136 VAL CG2 C 13 18.801 0.062 5 1 . . . A 923 VAL CG2 . 19955 1 1569 . 1 1 136 136 VAL N N 15 109.058 0.043 23 1 . . . A 923 VAL N . 19955 1 1570 . 1 1 137 137 ASP H H 1 8.658 0.006 41 1 . . . A 924 ASP H . 19955 1 1571 . 1 1 137 137 ASP HA H 1 4.934 0.007 11 1 . . . A 924 ASP HA . 19955 1 1572 . 1 1 137 137 ASP HB2 H 1 2.506 0.008 11 1 . . . A 924 ASP HB2 . 19955 1 1573 . 1 1 137 137 ASP HB3 H 1 2.271 0.005 9 1 . . . A 924 ASP HB3 . 19955 1 1574 . 1 1 137 137 ASP C C 13 175.863 0.006 2 1 . . . A 924 ASP C . 19955 1 1575 . 1 1 137 137 ASP CA C 13 52.934 0.106 8 1 . . . A 924 ASP CA . 19955 1 1576 . 1 1 137 137 ASP CB C 13 42.263 0.128 9 1 . . . A 924 ASP CB . 19955 1 1577 . 1 1 137 137 ASP N N 15 120.115 0.057 37 1 . . . A 924 ASP N . 19955 1 1578 . 1 1 138 138 VAL H H 1 8.911 0.005 33 1 . . . A 925 VAL H . 19955 1 1579 . 1 1 138 138 VAL HA H 1 3.679 0.005 17 1 . . . A 925 VAL HA . 19955 1 1580 . 1 1 138 138 VAL HB H 1 1.959 0.003 7 1 . . . A 925 VAL HB . 19955 1 1581 . 1 1 138 138 VAL HG11 H 1 0.874 0.002 7 2 . . . A 925 VAL HG11 . 19955 1 1582 . 1 1 138 138 VAL HG12 H 1 0.874 0.002 7 2 . . . A 925 VAL HG12 . 19955 1 1583 . 1 1 138 138 VAL HG13 H 1 0.874 0.002 7 2 . . . A 925 VAL HG13 . 19955 1 1584 . 1 1 138 138 VAL HG21 H 1 0.699 0.002 5 2 . . . A 925 VAL HG21 . 19955 1 1585 . 1 1 138 138 VAL HG22 H 1 0.699 0.002 5 2 . . . A 925 VAL HG22 . 19955 1 1586 . 1 1 138 138 VAL HG23 H 1 0.699 0.002 5 2 . . . A 925 VAL HG23 . 19955 1 1587 . 1 1 138 138 VAL C C 13 175.620 0.018 3 1 . . . A 925 VAL C . 19955 1 1588 . 1 1 138 138 VAL CA C 13 64.215 0.059 8 1 . . . A 925 VAL CA . 19955 1 1589 . 1 1 138 138 VAL CB C 13 31.721 0.081 6 1 . . . A 925 VAL CB . 19955 1 1590 . 1 1 138 138 VAL CG1 C 13 21.445 0.000 1 2 . . . A 925 VAL CG1 . 19955 1 1591 . 1 1 138 138 VAL CG2 C 13 21.445 0.000 1 2 . . . A 925 VAL CG2 . 19955 1 1592 . 1 1 138 138 VAL N N 15 125.090 0.037 29 1 . . . A 925 VAL N . 19955 1 1593 . 1 1 139 139 ILE H H 1 8.519 0.007 30 1 . . . A 926 ILE H . 19955 1 1594 . 1 1 139 139 ILE HA H 1 4.037 0.002 11 1 . . . A 926 ILE HA . 19955 1 1595 . 1 1 139 139 ILE HB H 1 1.590 0.004 11 1 . . . A 926 ILE HB . 19955 1 1596 . 1 1 139 139 ILE HG12 H 1 1.317 0.008 7 1 . . . A 926 ILE HG12 . 19955 1 1597 . 1 1 139 139 ILE HG13 H 1 1.022 0.004 5 1 . . . A 926 ILE HG13 . 19955 1 1598 . 1 1 139 139 ILE HG21 H 1 0.801 0.005 10 2 . . . A 926 ILE HG21 . 19955 1 1599 . 1 1 139 139 ILE HG22 H 1 0.801 0.005 10 2 . . . A 926 ILE HG22 . 19955 1 1600 . 1 1 139 139 ILE HG23 H 1 0.801 0.005 10 2 . . . A 926 ILE HG23 . 19955 1 1601 . 1 1 139 139 ILE HD11 H 1 0.644 0.004 5 2 . . . A 926 ILE HD11 . 19955 1 1602 . 1 1 139 139 ILE HD12 H 1 0.644 0.004 5 2 . . . A 926 ILE HD12 . 19955 1 1603 . 1 1 139 139 ILE HD13 H 1 0.644 0.004 5 2 . . . A 926 ILE HD13 . 19955 1 1604 . 1 1 139 139 ILE C C 13 175.683 0.398 3 1 . . . A 926 ILE C . 19955 1 1605 . 1 1 139 139 ILE CA C 13 61.578 0.069 9 1 . . . A 926 ILE CA . 19955 1 1606 . 1 1 139 139 ILE CB C 13 38.547 0.072 7 1 . . . A 926 ILE CB . 19955 1 1607 . 1 1 139 139 ILE CG1 C 13 27.469 0.000 1 1 . . . A 926 ILE CG1 . 19955 1 1608 . 1 1 139 139 ILE CG2 C 13 17.272 0.036 8 1 . . . A 926 ILE CG2 . 19955 1 1609 . 1 1 139 139 ILE CD1 C 13 13.099 0.000 1 1 . . . A 926 ILE CD1 . 19955 1 1610 . 1 1 139 139 ILE N N 15 129.390 0.046 27 1 . . . A 926 ILE N . 19955 1 1611 . 1 1 140 140 LYS H H 1 8.017 0.007 34 1 . . . A 927 LYS H . 19955 1 1612 . 1 1 140 140 LYS HA H 1 4.612 0.049 4 1 . . . A 927 LYS HA . 19955 1 1613 . 1 1 140 140 LYS HB2 H 1 1.864 0.009 2 1 . . . A 927 LYS HB2 . 19955 1 1614 . 1 1 140 140 LYS HB3 H 1 1.685 0.020 3 1 . . . A 927 LYS HB3 . 19955 1 1615 . 1 1 140 140 LYS HD2 H 1 1.357 0.000 1 2 . . . A 927 LYS HD2 . 19955 1 1616 . 1 1 140 140 LYS HD3 H 1 1.357 0.000 1 2 . . . A 927 LYS HD3 . 19955 1 1617 . 1 1 140 140 LYS HE2 H 1 2.929 0.000 1 2 . . . A 927 LYS HE2 . 19955 1 1618 . 1 1 140 140 LYS HE3 H 1 2.929 0.000 1 2 . . . A 927 LYS HE3 . 19955 1 1619 . 1 1 140 140 LYS C C 13 175.204 0.000 1 1 . . . A 927 LYS C . 19955 1 1620 . 1 1 140 140 LYS CA C 13 55.597 0.073 2 1 . . . A 927 LYS CA . 19955 1 1621 . 1 1 140 140 LYS CB C 13 35.633 0.031 3 1 . . . A 927 LYS CB . 19955 1 1622 . 1 1 140 140 LYS N N 15 122.060 0.071 31 1 . . . A 927 LYS N . 19955 1 1623 . 1 1 141 141 ARG H H 1 8.729 0.007 18 1 . . . A 928 ARG H . 19955 1 1624 . 1 1 141 141 ARG HA H 1 4.427 0.000 1 1 . . . A 928 ARG HA . 19955 1 1625 . 1 1 141 141 ARG C C 13 173.959 0.000 1 1 . . . A 928 ARG C . 19955 1 1626 . 1 1 141 141 ARG CA C 13 55.488 0.000 1 1 . . . A 928 ARG CA . 19955 1 1627 . 1 1 141 141 ARG CB C 13 29.713 0.000 1 1 . . . A 928 ARG CB . 19955 1 1628 . 1 1 141 141 ARG N N 15 126.441 0.103 17 1 . . . A 928 ARG N . 19955 1 1629 . 1 1 142 142 PRO HA H 1 4.513 0.005 6 1 . . . A 929 PRO HA . 19955 1 1630 . 1 1 142 142 PRO HB2 H 1 2.093 0.016 7 2 . . . A 929 PRO HB2 . 19955 1 1631 . 1 1 142 142 PRO HB3 H 1 2.093 0.016 7 2 . . . A 929 PRO HB3 . 19955 1 1632 . 1 1 142 142 PRO HG2 H 1 1.678 0.005 5 2 . . . A 929 PRO HG2 . 19955 1 1633 . 1 1 142 142 PRO HG3 H 1 1.678 0.005 5 2 . . . A 929 PRO HG3 . 19955 1 1634 . 1 1 142 142 PRO HD2 H 1 3.731 0.004 3 2 . . . A 929 PRO HD2 . 19955 1 1635 . 1 1 142 142 PRO HD3 H 1 3.731 0.004 3 2 . . . A 929 PRO HD3 . 19955 1 1636 . 1 1 142 142 PRO CA C 13 62.718 0.087 5 1 . . . A 929 PRO CA . 19955 1 1637 . 1 1 142 142 PRO CB C 13 31.616 0.094 4 1 . . . A 929 PRO CB . 19955 1 1638 . 1 1 142 142 PRO CG C 13 26.892 0.063 3 1 . . . A 929 PRO CG . 19955 1 1639 . 1 1 142 142 PRO CD C 13 49.474 0.204 2 1 . . . A 929 PRO CD . 19955 1 1640 . 1 1 143 143 LEU H H 1 8.239 0.012 25 1 . . . A 930 LEU H . 19955 1 1641 . 1 1 143 143 LEU HA H 1 4.213 0.000 1 1 . . . A 930 LEU HA . 19955 1 1642 . 1 1 143 143 LEU HB2 H 1 1.525 0.000 1 1 . . . A 930 LEU HB2 . 19955 1 1643 . 1 1 143 143 LEU HB3 H 1 1.525 0.000 1 1 . . . A 930 LEU HB3 . 19955 1 1644 . 1 1 143 143 LEU HD11 H 1 0.807 0.000 1 2 . . . A 930 LEU HD11 . 19955 1 1645 . 1 1 143 143 LEU HD12 H 1 0.807 0.000 1 2 . . . A 930 LEU HD12 . 19955 1 1646 . 1 1 143 143 LEU HD13 H 1 0.807 0.000 1 2 . . . A 930 LEU HD13 . 19955 1 1647 . 1 1 143 143 LEU HD21 H 1 0.807 0.000 1 2 . . . A 930 LEU HD21 . 19955 1 1648 . 1 1 143 143 LEU HD22 H 1 0.807 0.000 1 2 . . . A 930 LEU HD22 . 19955 1 1649 . 1 1 143 143 LEU HD23 H 1 0.807 0.000 1 2 . . . A 930 LEU HD23 . 19955 1 1650 . 1 1 143 143 LEU C C 13 181.961 0.000 1 1 . . . A 930 LEU C . 19955 1 1651 . 1 1 143 143 LEU CA C 13 56.938 0.000 1 1 . . . A 930 LEU CA . 19955 1 1652 . 1 1 143 143 LEU CB C 13 44.405 0.000 1 1 . . . A 930 LEU CB . 19955 1 1653 . 1 1 143 143 LEU N N 15 128.730 0.054 24 1 . . . A 930 LEU N . 19955 1 stop_ save_