data_25870 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25870 _Entry.Title ; Holo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-27 _Entry.Accession_date 2016-06-27 _Entry.Last_release_date 2016-06-27 _Entry.Original_release_date 2016-06-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Sara 'Drmota Prebil' . D. . . 25870 2 Urska Slapsak . . . . 25870 3 Euripedes 'de Almeida Ribeiro' . . . . 25870 4 Miha Pavsic . . . . 25870 5 Gregor Ilc . . . . 25870 6 Karolina Zielinska . . . . 25870 7 Markus Hartl . . . . 25870 8 Lars Backman . . . . 25870 9 Janez Plavec . . . . 25870 10 Brigita Lenarcic . . . . 25870 11 Kristina Djinovic-Carugo . . . . 25870 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' . 25870 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium binding protein' . 25870 'Calmodulin-Like Domain' . 25870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 517 25870 '15N chemical shifts' 151 25870 '1H chemical shifts' 1022 25870 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 . . 2016-06-27 . original BMRB . 25870 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N8Y 'BMRB Entry Tracking System' 25870 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25870 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27272015 _Citation.Full_citation . _Citation.Title ; Structure and calcium-binding studies of calmodulin-like domain of human non-muscle alpha-actinin-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 27383 _Citation.Page_last 27383 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sara 'Drmota Prebil' . D. . . 25870 1 2 Urska Slapsak . . . . 25870 1 3 Euripedes 'de Almeida Ribeiro' . . . . 25870 1 4 Miha Pavsic . . . . 25870 1 5 Gregor Ilc . . . . 25870 1 6 Karolina Zielinska . . . . 25870 1 7 Markus Hartl . . . . 25870 1 8 Lars Backman . . . . 25870 1 9 Janez Plavec . . . . 25870 1 10 Brigita Lenarcic . . . . 25870 1 11 Kristina Djinovic-Carugo . . . . 25870 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25870 _Assembly.ID 1 _Assembly.Name 'Holo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $Calmodulin-Like_Domain_of_alpha-actinin_1 A . yes native no no . . . 25870 1 2 'Calcium ion' 2 $entity_CA B . no native no no . . . 25870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin-Like_Domain_of_alpha-actinin_1 _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin-Like_Domain_of_alpha-actinin_1 _Entity.Entry_ID 25870 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin-Like_Domain_of_alpha-actinin_1 _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 ; GSSISQEQMNEFRASFNHFD RDHSGTLGPEEFKACLISLG YDIGNDPQGEAEFARIMSIV DPNRLGVVTFQAFIDFMSRE TADTDTADQVMASFKILAGD KNYITMDELRRELPPDQAEY CIARMAPYTGPDSVPGALDY MSFSTALYGESDL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-3 represent a non-native affinity tag This is the GSS linker. ; _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 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Calmodulin-Like Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16986.877 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 740 GLY . 25870 1 2 741 SER . 25870 1 3 742 SER . 25870 1 4 743 ILE . 25870 1 5 744 SER . 25870 1 6 745 GLN . 25870 1 7 746 GLU . 25870 1 8 747 GLN . 25870 1 9 748 MET . 25870 1 10 749 ASN . 25870 1 11 750 GLU . 25870 1 12 751 PHE . 25870 1 13 752 ARG . 25870 1 14 753 ALA . 25870 1 15 754 SER . 25870 1 16 755 PHE . 25870 1 17 756 ASN . 25870 1 18 757 HIS . 25870 1 19 758 PHE . 25870 1 20 759 ASP . 25870 1 21 760 ARG . 25870 1 22 761 ASP . 25870 1 23 762 HIS . 25870 1 24 763 SER . 25870 1 25 764 GLY . 25870 1 26 765 THR . 25870 1 27 766 LEU . 25870 1 28 767 GLY . 25870 1 29 768 PRO . 25870 1 30 769 GLU . 25870 1 31 770 GLU . 25870 1 32 771 PHE . 25870 1 33 772 LYS . 25870 1 34 773 ALA . 25870 1 35 774 CYS . 25870 1 36 775 LEU . 25870 1 37 776 ILE . 25870 1 38 777 SER . 25870 1 39 778 LEU . 25870 1 40 779 GLY . 25870 1 41 780 TYR . 25870 1 42 781 ASP . 25870 1 43 782 ILE . 25870 1 44 783 GLY . 25870 1 45 784 ASN . 25870 1 46 785 ASP . 25870 1 47 786 PRO . 25870 1 48 787 GLN . 25870 1 49 788 GLY . 25870 1 50 789 GLU . 25870 1 51 790 ALA . 25870 1 52 791 GLU . 25870 1 53 792 PHE . 25870 1 54 793 ALA . 25870 1 55 794 ARG . 25870 1 56 795 ILE . 25870 1 57 796 MET . 25870 1 58 797 SER . 25870 1 59 798 ILE . 25870 1 60 799 VAL . 25870 1 61 800 ASP . 25870 1 62 801 PRO . 25870 1 63 802 ASN . 25870 1 64 803 ARG . 25870 1 65 804 LEU . 25870 1 66 805 GLY . 25870 1 67 806 VAL . 25870 1 68 807 VAL . 25870 1 69 808 THR . 25870 1 70 809 PHE . 25870 1 71 810 GLN . 25870 1 72 811 ALA . 25870 1 73 812 PHE . 25870 1 74 813 ILE . 25870 1 75 814 ASP . 25870 1 76 815 PHE . 25870 1 77 816 MET . 25870 1 78 817 SER . 25870 1 79 818 ARG . 25870 1 80 819 GLU . 25870 1 81 820 THR . 25870 1 82 821 ALA . 25870 1 83 822 ASP . 25870 1 84 823 THR . 25870 1 85 824 ASP . 25870 1 86 825 THR . 25870 1 87 826 ALA . 25870 1 88 827 ASP . 25870 1 89 828 GLN . 25870 1 90 829 VAL . 25870 1 91 830 MET . 25870 1 92 831 ALA . 25870 1 93 832 SER . 25870 1 94 833 PHE . 25870 1 95 834 LYS . 25870 1 96 835 ILE . 25870 1 97 836 LEU . 25870 1 98 837 ALA . 25870 1 99 838 GLY . 25870 1 100 839 ASP . 25870 1 101 840 LYS . 25870 1 102 841 ASN . 25870 1 103 842 TYR . 25870 1 104 843 ILE . 25870 1 105 844 THR . 25870 1 106 845 MET . 25870 1 107 846 ASP . 25870 1 108 847 GLU . 25870 1 109 848 LEU . 25870 1 110 849 ARG . 25870 1 111 850 ARG . 25870 1 112 851 GLU . 25870 1 113 852 LEU . 25870 1 114 853 PRO . 25870 1 115 854 PRO . 25870 1 116 855 ASP . 25870 1 117 856 GLN . 25870 1 118 857 ALA . 25870 1 119 858 GLU . 25870 1 120 859 TYR . 25870 1 121 860 CYS . 25870 1 122 861 ILE . 25870 1 123 862 ALA . 25870 1 124 863 ARG . 25870 1 125 864 MET . 25870 1 126 865 ALA . 25870 1 127 866 PRO . 25870 1 128 867 TYR . 25870 1 129 868 THR . 25870 1 130 869 GLY . 25870 1 131 870 PRO . 25870 1 132 871 ASP . 25870 1 133 872 SER . 25870 1 134 873 VAL . 25870 1 135 874 PRO . 25870 1 136 875 GLY . 25870 1 137 876 ALA . 25870 1 138 877 LEU . 25870 1 139 878 ASP . 25870 1 140 879 TYR . 25870 1 141 880 MET . 25870 1 142 881 SER . 25870 1 143 882 PHE . 25870 1 144 883 SER . 25870 1 145 884 THR . 25870 1 146 885 ALA . 25870 1 147 886 LEU . 25870 1 148 887 TYR . 25870 1 149 888 GLY . 25870 1 150 889 GLU . 25870 1 151 890 SER . 25870 1 152 891 ASP . 25870 1 153 892 LEU . 25870 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25870 1 . SER 2 2 25870 1 . SER 3 3 25870 1 . ILE 4 4 25870 1 . SER 5 5 25870 1 . GLN 6 6 25870 1 . GLU 7 7 25870 1 . GLN 8 8 25870 1 . MET 9 9 25870 1 . ASN 10 10 25870 1 . GLU 11 11 25870 1 . PHE 12 12 25870 1 . ARG 13 13 25870 1 . ALA 14 14 25870 1 . SER 15 15 25870 1 . PHE 16 16 25870 1 . ASN 17 17 25870 1 . HIS 18 18 25870 1 . PHE 19 19 25870 1 . ASP 20 20 25870 1 . ARG 21 21 25870 1 . ASP 22 22 25870 1 . HIS 23 23 25870 1 . SER 24 24 25870 1 . GLY 25 25 25870 1 . THR 26 26 25870 1 . LEU 27 27 25870 1 . GLY 28 28 25870 1 . PRO 29 29 25870 1 . GLU 30 30 25870 1 . GLU 31 31 25870 1 . PHE 32 32 25870 1 . LYS 33 33 25870 1 . ALA 34 34 25870 1 . CYS 35 35 25870 1 . LEU 36 36 25870 1 . ILE 37 37 25870 1 . SER 38 38 25870 1 . LEU 39 39 25870 1 . GLY 40 40 25870 1 . TYR 41 41 25870 1 . ASP 42 42 25870 1 . ILE 43 43 25870 1 . GLY 44 44 25870 1 . ASN 45 45 25870 1 . ASP 46 46 25870 1 . PRO 47 47 25870 1 . GLN 48 48 25870 1 . GLY 49 49 25870 1 . GLU 50 50 25870 1 . ALA 51 51 25870 1 . GLU 52 52 25870 1 . PHE 53 53 25870 1 . ALA 54 54 25870 1 . ARG 55 55 25870 1 . ILE 56 56 25870 1 . MET 57 57 25870 1 . SER 58 58 25870 1 . ILE 59 59 25870 1 . VAL 60 60 25870 1 . ASP 61 61 25870 1 . PRO 62 62 25870 1 . ASN 63 63 25870 1 . ARG 64 64 25870 1 . LEU 65 65 25870 1 . GLY 66 66 25870 1 . VAL 67 67 25870 1 . VAL 68 68 25870 1 . THR 69 69 25870 1 . PHE 70 70 25870 1 . GLN 71 71 25870 1 . ALA 72 72 25870 1 . PHE 73 73 25870 1 . ILE 74 74 25870 1 . ASP 75 75 25870 1 . PHE 76 76 25870 1 . MET 77 77 25870 1 . SER 78 78 25870 1 . ARG 79 79 25870 1 . GLU 80 80 25870 1 . THR 81 81 25870 1 . ALA 82 82 25870 1 . ASP 83 83 25870 1 . THR 84 84 25870 1 . ASP 85 85 25870 1 . THR 86 86 25870 1 . ALA 87 87 25870 1 . ASP 88 88 25870 1 . GLN 89 89 25870 1 . VAL 90 90 25870 1 . MET 91 91 25870 1 . ALA 92 92 25870 1 . SER 93 93 25870 1 . PHE 94 94 25870 1 . LYS 95 95 25870 1 . ILE 96 96 25870 1 . LEU 97 97 25870 1 . ALA 98 98 25870 1 . GLY 99 99 25870 1 . ASP 100 100 25870 1 . LYS 101 101 25870 1 . ASN 102 102 25870 1 . TYR 103 103 25870 1 . ILE 104 104 25870 1 . THR 105 105 25870 1 . MET 106 106 25870 1 . ASP 107 107 25870 1 . GLU 108 108 25870 1 . LEU 109 109 25870 1 . ARG 110 110 25870 1 . ARG 111 111 25870 1 . GLU 112 112 25870 1 . LEU 113 113 25870 1 . PRO 114 114 25870 1 . PRO 115 115 25870 1 . ASP 116 116 25870 1 . GLN 117 117 25870 1 . ALA 118 118 25870 1 . GLU 119 119 25870 1 . TYR 120 120 25870 1 . CYS 121 121 25870 1 . ILE 122 122 25870 1 . ALA 123 123 25870 1 . ARG 124 124 25870 1 . MET 125 125 25870 1 . ALA 126 126 25870 1 . PRO 127 127 25870 1 . TYR 128 128 25870 1 . THR 129 129 25870 1 . GLY 130 130 25870 1 . PRO 131 131 25870 1 . ASP 132 132 25870 1 . SER 133 133 25870 1 . VAL 134 134 25870 1 . PRO 135 135 25870 1 . GLY 136 136 25870 1 . ALA 137 137 25870 1 . LEU 138 138 25870 1 . ASP 139 139 25870 1 . TYR 140 140 25870 1 . MET 141 141 25870 1 . SER 142 142 25870 1 . PHE 143 143 25870 1 . SER 144 144 25870 1 . THR 145 145 25870 1 . ALA 146 146 25870 1 . LEU 147 147 25870 1 . TYR 148 148 25870 1 . GLY 149 149 25870 1 . GLU 150 150 25870 1 . SER 151 151 25870 1 . ASP 152 152 25870 1 . LEU 153 153 25870 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25870 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25870 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25870 2 CA 'Three letter code' 25870 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 25870 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25870 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Calmodulin-Like_Domain_of_alpha-actinin_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . ACTN1 . 25870 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 25870 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Calmodulin-Like_Domain_of_alpha-actinin_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pLysS' . . . . . pET-3d . . . 25870 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 25870 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 25870 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25870 CA [Ca++] SMILES CACTVS 3.341 25870 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25870 CA [Ca+2] SMILES ACDLabs 10.04 25870 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25870 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25870 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 25870 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25870 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25870 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25870 _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 'Calmodulin-Like Domain of alpha-actinin 1' '[U-100% 13C; U-100% 15N]' . . 1 $Calmodulin-Like_Domain_of_alpha-actinin_1 . . 1 . . mM . . . . 25870 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 25870 1 3 'Sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25870 1 4 DTT 'natural abundance' . . . . . . 1.5 . . mM . . . . 25870 1 5 EGTA 'natural abundance' . . . . . . 0.05 . . mM . . . . 25870 1 6 'Calcium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 25870 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25870 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25870 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25870 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 25870 1 pH 7.6 . pH 25870 1 pressure 1 . atm 25870 1 temperature 298 . K 25870 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25870 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25870 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25870 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25870 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25870 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25870 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25870 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25870 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Prediction of Protein Backbone Torsion Angles' 25870 3 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 25870 _Software.ID 4 _Software.Name YASARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Krieger, Koraimann, Vriend' . . 25870 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25870 4 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 25870 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25870 _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 Varian VNMRS . 800 . . . 25870 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 25870 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25870 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 25870 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . 25870 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 25870 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0 external direct 1 . . . . . 25870 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 25870 _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' . . . 25870 1 2 '2D 1H-13C HSQC aliphatic' . . . 25870 1 3 '2D 1H-13C HSQC aromatic' . . . 25870 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 SER HA H 1 4.525 0.000 . 1 . . . A 742 SER HA . 25870 1 2 . 1 1 3 3 SER HB2 H 1 3.822 0.000 . 2 . . . A 742 SER HB2 . 25870 1 3 . 1 1 3 3 SER HB3 H 1 3.814 0.000 . 2 . . . A 742 SER HB3 . 25870 1 4 . 1 1 3 3 SER CA C 13 58.148 0.000 . 1 . . . A 742 SER CA . 25870 1 5 . 1 1 3 3 SER CB C 13 63.791 0.000 . 1 . . . A 742 SER CB . 25870 1 6 . 1 1 4 4 ILE H H 1 8.132 0.000 . 1 . . . A 743 ILE H . 25870 1 7 . 1 1 4 4 ILE HA H 1 4.362 0.000 . 1 . . . A 743 ILE HA . 25870 1 8 . 1 1 4 4 ILE HB H 1 1.833 0.000 . 1 . . . A 743 ILE HB . 25870 1 9 . 1 1 4 4 ILE HG12 H 1 1.192 0.000 . 2 . . . A 743 ILE HG12 . 25870 1 10 . 1 1 4 4 ILE HG13 H 1 1.510 0.000 . 2 . . . A 743 ILE HG13 . 25870 1 11 . 1 1 4 4 ILE HG21 H 1 0.987 0.000 . 1 . . . A 743 ILE HG21 . 25870 1 12 . 1 1 4 4 ILE HG22 H 1 0.987 0.000 . 1 . . . A 743 ILE HG22 . 25870 1 13 . 1 1 4 4 ILE HG23 H 1 0.987 0.000 . 1 . . . A 743 ILE HG23 . 25870 1 14 . 1 1 4 4 ILE HD11 H 1 0.856 0.000 . 1 . . . A 743 ILE HD11 . 25870 1 15 . 1 1 4 4 ILE HD12 H 1 0.856 0.000 . 1 . . . A 743 ILE HD12 . 25870 1 16 . 1 1 4 4 ILE HD13 H 1 0.856 0.000 . 1 . . . A 743 ILE HD13 . 25870 1 17 . 1 1 4 4 ILE CA C 13 60.421 0.000 . 1 . . . A 743 ILE CA . 25870 1 18 . 1 1 4 4 ILE CB C 13 39.166 0.000 . 1 . . . A 743 ILE CB . 25870 1 19 . 1 1 4 4 ILE CG1 C 13 26.802 0.004 . 1 . . . A 743 ILE CG1 . 25870 1 20 . 1 1 4 4 ILE CG2 C 13 17.867 0.000 . 1 . . . A 743 ILE CG2 . 25870 1 21 . 1 1 4 4 ILE CD1 C 13 13.423 0.000 . 1 . . . A 743 ILE CD1 . 25870 1 22 . 1 1 4 4 ILE N N 15 122.172 0.000 . 1 . . . A 743 ILE N . 25870 1 23 . 1 1 5 5 SER H H 1 8.848 0.000 . 1 . . . A 744 SER H . 25870 1 24 . 1 1 5 5 SER HA H 1 4.449 0.000 . 1 . . . A 744 SER HA . 25870 1 25 . 1 1 5 5 SER HB2 H 1 4.357 0.000 . 2 . . . A 744 SER HB2 . 25870 1 26 . 1 1 5 5 SER HB3 H 1 4.013 0.000 . 2 . . . A 744 SER HB3 . 25870 1 27 . 1 1 5 5 SER CA C 13 57.463 0.000 . 1 . . . A 744 SER CA . 25870 1 28 . 1 1 5 5 SER CB C 13 65.219 0.009 . 1 . . . A 744 SER CB . 25870 1 29 . 1 1 5 5 SER N N 15 123.144 0.000 . 1 . . . A 744 SER N . 25870 1 30 . 1 1 6 6 GLN H H 1 9.042 0.000 . 1 . . . A 745 GLN H . 25870 1 31 . 1 1 6 6 GLN HA H 1 3.952 0.000 . 1 . . . A 745 GLN HA . 25870 1 32 . 1 1 6 6 GLN HB2 H 1 2.135 0.000 . 2 . . . A 745 GLN HB2 . 25870 1 33 . 1 1 6 6 GLN HB3 H 1 2.018 0.000 . 2 . . . A 745 GLN HB3 . 25870 1 34 . 1 1 6 6 GLN HG2 H 1 2.380 0.000 . 2 . . . A 745 GLN HG2 . 25870 1 35 . 1 1 6 6 GLN HG3 H 1 2.310 0.000 . 2 . . . A 745 GLN HG3 . 25870 1 36 . 1 1 6 6 GLN HE21 H 1 6.948 0.000 . 2 . . . A 745 GLN HE21 . 25870 1 37 . 1 1 6 6 GLN HE22 H 1 7.553 0.000 . 2 . . . A 745 GLN HE22 . 25870 1 38 . 1 1 6 6 GLN CA C 13 58.768 0.000 . 1 . . . A 745 GLN CA . 25870 1 39 . 1 1 6 6 GLN CB C 13 28.512 0.000 . 1 . . . A 745 GLN CB . 25870 1 40 . 1 1 6 6 GLN CG C 13 33.840 0.001 . 1 . . . A 745 GLN CG . 25870 1 41 . 1 1 6 6 GLN N N 15 121.619 0.000 . 1 . . . A 745 GLN N . 25870 1 42 . 1 1 6 6 GLN NE2 N 15 113.485 0.000 . 1 . . . A 745 GLN NE2 . 25870 1 43 . 1 1 7 7 GLU H H 1 8.721 0.000 . 1 . . . A 746 GLU H . 25870 1 44 . 1 1 7 7 GLU HA H 1 4.004 0.000 . 1 . . . A 746 GLU HA . 25870 1 45 . 1 1 7 7 GLU HB2 H 1 2.001 0.000 . 2 . . . A 746 GLU HB2 . 25870 1 46 . 1 1 7 7 GLU HB3 H 1 1.906 0.000 . 2 . . . A 746 GLU HB3 . 25870 1 47 . 1 1 7 7 GLU HG2 H 1 2.355 0.000 . 2 . . . A 746 GLU HG2 . 25870 1 48 . 1 1 7 7 GLU HG3 H 1 2.238 0.000 . 2 . . . A 746 GLU HG3 . 25870 1 49 . 1 1 7 7 GLU CA C 13 60.223 0.000 . 1 . . . A 746 GLU CA . 25870 1 50 . 1 1 7 7 GLU CB C 13 28.854 0.000 . 1 . . . A 746 GLU CB . 25870 1 51 . 1 1 7 7 GLU CG C 13 36.934 0.000 . 1 . . . A 746 GLU CG . 25870 1 52 . 1 1 7 7 GLU N N 15 118.648 0.000 . 1 . . . A 746 GLU N . 25870 1 53 . 1 1 8 8 GLN H H 1 7.838 0.000 . 1 . . . A 747 GLN H . 25870 1 54 . 1 1 8 8 GLN HA H 1 3.766 0.000 . 1 . . . A 747 GLN HA . 25870 1 55 . 1 1 8 8 GLN HB2 H 1 1.598 0.000 . 2 . . . A 747 GLN HB2 . 25870 1 56 . 1 1 8 8 GLN HB3 H 1 2.065 0.000 . 2 . . . A 747 GLN HB3 . 25870 1 57 . 1 1 8 8 GLN HG2 H 1 2.027 0.000 . 1 . . . A 747 GLN HG2 . 25870 1 58 . 1 1 8 8 GLN HG3 H 1 2.026 0.000 . 1 . . . A 747 GLN HG3 . 25870 1 59 . 1 1 8 8 GLN HE21 H 1 7.628 0.000 . 2 . . . A 747 GLN HE21 . 25870 1 60 . 1 1 8 8 GLN HE22 H 1 6.859 0.000 . 2 . . . A 747 GLN HE22 . 25870 1 61 . 1 1 8 8 GLN CA C 13 58.306 0.000 . 1 . . . A 747 GLN CA . 25870 1 62 . 1 1 8 8 GLN CB C 13 28.948 0.009 . 1 . . . A 747 GLN CB . 25870 1 63 . 1 1 8 8 GLN CG C 13 34.810 0.000 . 1 . . . A 747 GLN CG . 25870 1 64 . 1 1 8 8 GLN N N 15 120.463 0.000 . 1 . . . A 747 GLN N . 25870 1 65 . 1 1 8 8 GLN NE2 N 15 112.305 0.001 . 1 . . . A 747 GLN NE2 . 25870 1 66 . 1 1 9 9 MET H H 1 8.473 0.000 . 1 . . . A 748 MET H . 25870 1 67 . 1 1 9 9 MET HA H 1 4.200 0.000 . 1 . . . A 748 MET HA . 25870 1 68 . 1 1 9 9 MET HB2 H 1 2.179 0.000 . 2 . . . A 748 MET HB2 . 25870 1 69 . 1 1 9 9 MET HB3 H 1 2.213 0.000 . 2 . . . A 748 MET HB3 . 25870 1 70 . 1 1 9 9 MET HG2 H 1 2.641 0.000 . 2 . . . A 748 MET HG2 . 25870 1 71 . 1 1 9 9 MET HG3 H 1 2.685 0.000 . 2 . . . A 748 MET HG3 . 25870 1 72 . 1 1 9 9 MET HE1 H 1 2.136 0.000 . 1 . . . A 748 MET HE1 . 25870 1 73 . 1 1 9 9 MET HE2 H 1 2.136 0.000 . 1 . . . A 748 MET HE2 . 25870 1 74 . 1 1 9 9 MET HE3 H 1 2.136 0.000 . 1 . . . A 748 MET HE3 . 25870 1 75 . 1 1 9 9 MET CA C 13 58.096 0.000 . 1 . . . A 748 MET CA . 25870 1 76 . 1 1 9 9 MET CB C 13 30.900 0.000 . 1 . . . A 748 MET CB . 25870 1 77 . 1 1 9 9 MET CG C 13 32.453 0.008 . 1 . . . A 748 MET CG . 25870 1 78 . 1 1 9 9 MET CE C 13 17.080 0.000 . 1 . . . A 748 MET CE . 25870 1 79 . 1 1 9 9 MET N N 15 119.252 0.000 . 1 . . . A 748 MET N . 25870 1 80 . 1 1 10 10 ASN H H 1 8.334 0.000 . 1 . . . A 749 ASN H . 25870 1 81 . 1 1 10 10 ASN HA H 1 4.474 0.000 . 1 . . . A 749 ASN HA . 25870 1 82 . 1 1 10 10 ASN HB2 H 1 2.832 0.000 . 2 . . . A 749 ASN HB2 . 25870 1 83 . 1 1 10 10 ASN HB3 H 1 2.994 0.000 . 2 . . . A 749 ASN HB3 . 25870 1 84 . 1 1 10 10 ASN HD21 H 1 7.004 0.000 . 2 . . . A 749 ASN HD21 . 25870 1 85 . 1 1 10 10 ASN HD22 H 1 7.753 0.000 . 2 . . . A 749 ASN HD22 . 25870 1 86 . 1 1 10 10 ASN CA C 13 55.795 0.000 . 1 . . . A 749 ASN CA . 25870 1 87 . 1 1 10 10 ASN CB C 13 37.413 0.014 . 1 . . . A 749 ASN CB . 25870 1 88 . 1 1 10 10 ASN N N 15 117.740 0.000 . 1 . . . A 749 ASN N . 25870 1 89 . 1 1 10 10 ASN ND2 N 15 112.072 0.008 . 1 . . . A 749 ASN ND2 . 25870 1 90 . 1 1 11 11 GLU H H 1 7.838 0.000 . 1 . . . A 750 GLU H . 25870 1 91 . 1 1 11 11 GLU HA H 1 4.204 0.000 . 1 . . . A 750 GLU HA . 25870 1 92 . 1 1 11 11 GLU HB2 H 1 2.059 0.000 . 2 . . . A 750 GLU HB2 . 25870 1 93 . 1 1 11 11 GLU HB3 H 1 2.042 0.000 . 2 . . . A 750 GLU HB3 . 25870 1 94 . 1 1 11 11 GLU HG2 H 1 2.373 0.000 . 2 . . . A 750 GLU HG2 . 25870 1 95 . 1 1 11 11 GLU HG3 H 1 2.219 0.000 . 2 . . . A 750 GLU HG3 . 25870 1 96 . 1 1 11 11 GLU CA C 13 59.341 0.000 . 1 . . . A 750 GLU CA . 25870 1 97 . 1 1 11 11 GLU CB C 13 29.184 0.000 . 1 . . . A 750 GLU CB . 25870 1 98 . 1 1 11 11 GLU CG C 13 36.206 0.000 . 1 . . . A 750 GLU CG . 25870 1 99 . 1 1 11 11 GLU N N 15 122.848 0.000 . 1 . . . A 750 GLU N . 25870 1 100 . 1 1 12 12 PHE H H 1 8.785 0.000 . 1 . . . A 751 PHE H . 25870 1 101 . 1 1 12 12 PHE HA H 1 5.021 0.000 . 1 . . . A 751 PHE HA . 25870 1 102 . 1 1 12 12 PHE HB2 H 1 3.407 0.000 . 2 . . . A 751 PHE HB2 . 25870 1 103 . 1 1 12 12 PHE HB3 H 1 3.507 0.000 . 2 . . . A 751 PHE HB3 . 25870 1 104 . 1 1 12 12 PHE HD1 H 1 7.278 0.000 . 1 . . . A 751 PHE HD1 . 25870 1 105 . 1 1 12 12 PHE HD2 H 1 7.278 0.000 . 1 . . . A 751 PHE HD2 . 25870 1 106 . 1 1 12 12 PHE HE1 H 1 7.261 0.000 . 1 . . . A 751 PHE HE1 . 25870 1 107 . 1 1 12 12 PHE HE2 H 1 7.261 0.000 . 1 . . . A 751 PHE HE2 . 25870 1 108 . 1 1 12 12 PHE HZ H 1 7.669 0.000 . 1 . . . A 751 PHE HZ . 25870 1 109 . 1 1 12 12 PHE CA C 13 58.353 0.000 . 1 . . . A 751 PHE CA . 25870 1 110 . 1 1 12 12 PHE CB C 13 37.797 0.001 . 1 . . . A 751 PHE CB . 25870 1 111 . 1 1 12 12 PHE CD1 C 13 131.595 0.000 . 1 . . . A 751 PHE CD1 . 25870 1 112 . 1 1 12 12 PHE CD2 C 13 131.595 0.000 . 1 . . . A 751 PHE CD2 . 25870 1 113 . 1 1 12 12 PHE CE1 C 13 129.979 0.000 . 1 . . . A 751 PHE CE1 . 25870 1 114 . 1 1 12 12 PHE CE2 C 13 129.979 0.000 . 1 . . . A 751 PHE CE2 . 25870 1 115 . 1 1 12 12 PHE CZ C 13 131.817 0.000 . 1 . . . A 751 PHE CZ . 25870 1 116 . 1 1 12 12 PHE N N 15 120.177 0.000 . 1 . . . A 751 PHE N . 25870 1 117 . 1 1 13 13 ARG H H 1 9.016 0.000 . 1 . . . A 752 ARG H . 25870 1 118 . 1 1 13 13 ARG HA H 1 4.160 0.000 . 1 . . . A 752 ARG HA . 25870 1 119 . 1 1 13 13 ARG HB2 H 1 2.061 0.000 . 1 . . . A 752 ARG HB2 . 25870 1 120 . 1 1 13 13 ARG HB3 H 1 2.060 0.000 . 1 . . . A 752 ARG HB3 . 25870 1 121 . 1 1 13 13 ARG HG2 H 1 1.533 0.000 . 2 . . . A 752 ARG HG2 . 25870 1 122 . 1 1 13 13 ARG HG3 H 1 1.619 0.000 . 2 . . . A 752 ARG HG3 . 25870 1 123 . 1 1 13 13 ARG HD2 H 1 3.021 0.000 . 1 . . . A 752 ARG HD2 . 25870 1 124 . 1 1 13 13 ARG HD3 H 1 3.021 0.000 . 1 . . . A 752 ARG HD3 . 25870 1 125 . 1 1 13 13 ARG CA C 13 59.704 0.000 . 1 . . . A 752 ARG CA . 25870 1 126 . 1 1 13 13 ARG CB C 13 29.968 0.000 . 1 . . . A 752 ARG CB . 25870 1 127 . 1 1 13 13 ARG CG C 13 27.188 0.010 . 1 . . . A 752 ARG CG . 25870 1 128 . 1 1 13 13 ARG CD C 13 42.735 0.000 . 1 . . . A 752 ARG CD . 25870 1 129 . 1 1 13 13 ARG N N 15 120.528 0.000 . 1 . . . A 752 ARG N . 25870 1 130 . 1 1 14 14 ALA H H 1 8.100 0.000 . 1 . . . A 753 ALA H . 25870 1 131 . 1 1 14 14 ALA HA H 1 4.245 0.000 . 1 . . . A 753 ALA HA . 25870 1 132 . 1 1 14 14 ALA HB1 H 1 1.598 0.000 . 1 . . . A 753 ALA HB1 . 25870 1 133 . 1 1 14 14 ALA HB2 H 1 1.598 0.000 . 1 . . . A 753 ALA HB2 . 25870 1 134 . 1 1 14 14 ALA HB3 H 1 1.598 0.000 . 1 . . . A 753 ALA HB3 . 25870 1 135 . 1 1 14 14 ALA CA C 13 55.331 0.000 . 1 . . . A 753 ALA CA . 25870 1 136 . 1 1 14 14 ALA CB C 13 17.823 0.000 . 1 . . . A 753 ALA CB . 25870 1 137 . 1 1 14 14 ALA N N 15 121.112 0.000 . 1 . . . A 753 ALA N . 25870 1 138 . 1 1 15 15 SER H H 1 8.391 0.000 . 1 . . . A 754 SER H . 25870 1 139 . 1 1 15 15 SER HA H 1 4.452 0.000 . 1 . . . A 754 SER HA . 25870 1 140 . 1 1 15 15 SER HB2 H 1 4.409 0.000 . 2 . . . A 754 SER HB2 . 25870 1 141 . 1 1 15 15 SER HB3 H 1 4.322 0.000 . 2 . . . A 754 SER HB3 . 25870 1 142 . 1 1 15 15 SER CA C 13 62.675 0.000 . 1 . . . A 754 SER CA . 25870 1 143 . 1 1 15 15 SER CB C 13 63.359 0.011 . 1 . . . A 754 SER CB . 25870 1 144 . 1 1 15 15 SER N N 15 115.589 0.000 . 1 . . . A 754 SER N . 25870 1 145 . 1 1 16 16 PHE H H 1 8.675 0.000 . 1 . . . A 755 PHE H . 25870 1 146 . 1 1 16 16 PHE HA H 1 3.642 0.000 . 1 . . . A 755 PHE HA . 25870 1 147 . 1 1 16 16 PHE HB2 H 1 2.921 0.000 . 2 . . . A 755 PHE HB2 . 25870 1 148 . 1 1 16 16 PHE HB3 H 1 3.293 0.000 . 2 . . . A 755 PHE HB3 . 25870 1 149 . 1 1 16 16 PHE HD1 H 1 6.951 0.000 . 1 . . . A 755 PHE HD1 . 25870 1 150 . 1 1 16 16 PHE HD2 H 1 6.951 0.000 . 1 . . . A 755 PHE HD2 . 25870 1 151 . 1 1 16 16 PHE HE1 H 1 6.384 0.000 . 1 . . . A 755 PHE HE1 . 25870 1 152 . 1 1 16 16 PHE HE2 H 1 6.384 0.000 . 1 . . . A 755 PHE HE2 . 25870 1 153 . 1 1 16 16 PHE HZ H 1 6.691 0.000 . 1 . . . A 755 PHE HZ . 25870 1 154 . 1 1 16 16 PHE CA C 13 61.964 0.000 . 1 . . . A 755 PHE CA . 25870 1 155 . 1 1 16 16 PHE CB C 13 39.822 0.000 . 1 . . . A 755 PHE CB . 25870 1 156 . 1 1 16 16 PHE CD1 C 13 131.187 0.000 . 1 . . . A 755 PHE CD1 . 25870 1 157 . 1 1 16 16 PHE CD2 C 13 131.187 0.000 . 1 . . . A 755 PHE CD2 . 25870 1 158 . 1 1 16 16 PHE CE1 C 13 131.569 0.000 . 1 . . . A 755 PHE CE1 . 25870 1 159 . 1 1 16 16 PHE CE2 C 13 131.582 0.000 . 1 . . . A 755 PHE CE2 . 25870 1 160 . 1 1 16 16 PHE CZ C 13 132.396 0.000 . 1 . . . A 755 PHE CZ . 25870 1 161 . 1 1 16 16 PHE N N 15 121.886 0.000 . 1 . . . A 755 PHE N . 25870 1 162 . 1 1 17 17 ASN H H 1 8.593 0.000 . 1 . . . A 756 ASN H . 25870 1 163 . 1 1 17 17 ASN HA H 1 4.427 0.000 . 1 . . . A 756 ASN HA . 25870 1 164 . 1 1 17 17 ASN HB2 H 1 2.863 0.000 . 2 . . . A 756 ASN HB2 . 25870 1 165 . 1 1 17 17 ASN HB3 H 1 2.949 0.000 . 2 . . . A 756 ASN HB3 . 25870 1 166 . 1 1 17 17 ASN HD21 H 1 6.851 0.000 . 2 . . . A 756 ASN HD21 . 25870 1 167 . 1 1 17 17 ASN HD22 H 1 7.629 0.000 . 2 . . . A 756 ASN HD22 . 25870 1 168 . 1 1 17 17 ASN CA C 13 55.611 0.000 . 1 . . . A 756 ASN CA . 25870 1 169 . 1 1 17 17 ASN CB C 13 37.838 0.000 . 1 . . . A 756 ASN CB . 25870 1 170 . 1 1 17 17 ASN N N 15 113.618 0.000 . 1 . . . A 756 ASN N . 25870 1 171 . 1 1 17 17 ASN ND2 N 15 110.790 0.001 . 1 . . . A 756 ASN ND2 . 25870 1 172 . 1 1 18 18 HIS H H 1 8.139 0.000 . 1 . . . A 757 HIS H . 25870 1 173 . 1 1 18 18 HIS HA H 1 4.079 0.000 . 1 . . . A 757 HIS HA . 25870 1 174 . 1 1 18 18 HIS HB2 H 1 3.137 0.000 . 2 . . . A 757 HIS HB2 . 25870 1 175 . 1 1 18 18 HIS HB3 H 1 3.119 0.000 . 2 . . . A 757 HIS HB3 . 25870 1 176 . 1 1 18 18 HIS HD2 H 1 5.367 0.000 . 1 . . . A 757 HIS HD2 . 25870 1 177 . 1 1 18 18 HIS HE1 H 1 7.787 0.000 . 1 . . . A 757 HIS HE1 . 25870 1 178 . 1 1 18 18 HIS CA C 13 59.344 0.000 . 1 . . . A 757 HIS CA . 25870 1 179 . 1 1 18 18 HIS CB C 13 29.889 0.000 . 1 . . . A 757 HIS CB . 25870 1 180 . 1 1 18 18 HIS CD2 C 13 119.753 0.000 . 1 . . . A 757 HIS CD2 . 25870 1 181 . 1 1 18 18 HIS CE1 C 13 138.089 0.000 . 1 . . . A 757 HIS CE1 . 25870 1 182 . 1 1 18 18 HIS N N 15 119.679 0.000 . 1 . . . A 757 HIS N . 25870 1 183 . 1 1 19 19 PHE H H 1 7.585 0.000 . 1 . . . A 758 PHE H . 25870 1 184 . 1 1 19 19 PHE HA H 1 4.061 0.000 . 1 . . . A 758 PHE HA . 25870 1 185 . 1 1 19 19 PHE HB2 H 1 2.466 0.000 . 2 . . . A 758 PHE HB2 . 25870 1 186 . 1 1 19 19 PHE HB3 H 1 3.343 0.000 . 2 . . . A 758 PHE HB3 . 25870 1 187 . 1 1 19 19 PHE HD1 H 1 7.769 0.000 . 1 . . . A 758 PHE HD1 . 25870 1 188 . 1 1 19 19 PHE HD2 H 1 7.769 0.000 . 1 . . . A 758 PHE HD2 . 25870 1 189 . 1 1 19 19 PHE HE1 H 1 7.529 0.000 . 1 . . . A 758 PHE HE1 . 25870 1 190 . 1 1 19 19 PHE HE2 H 1 7.529 0.000 . 1 . . . A 758 PHE HE2 . 25870 1 191 . 1 1 19 19 PHE HZ H 1 7.555 0.000 . 1 . . . A 758 PHE HZ . 25870 1 192 . 1 1 19 19 PHE CA C 13 60.697 0.000 . 1 . . . A 758 PHE CA . 25870 1 193 . 1 1 19 19 PHE CB C 13 38.735 0.007 . 1 . . . A 758 PHE CB . 25870 1 194 . 1 1 19 19 PHE CD1 C 13 132.549 0.000 . 1 . . . A 758 PHE CD1 . 25870 1 195 . 1 1 19 19 PHE CD2 C 13 132.549 0.000 . 1 . . . A 758 PHE CD2 . 25870 1 196 . 1 1 19 19 PHE CE1 C 13 131.694 0.000 . 1 . . . A 758 PHE CE1 . 25870 1 197 . 1 1 19 19 PHE CE2 C 13 131.694 0.000 . 1 . . . A 758 PHE CE2 . 25870 1 198 . 1 1 19 19 PHE CZ C 13 130.926 0.000 . 1 . . . A 758 PHE CZ . 25870 1 199 . 1 1 19 19 PHE N N 15 113.051 0.000 . 1 . . . A 758 PHE N . 25870 1 200 . 1 1 20 20 ASP H H 1 7.423 0.000 . 1 . . . A 759 ASP H . 25870 1 201 . 1 1 20 20 ASP HA H 1 4.509 0.000 . 1 . . . A 759 ASP HA . 25870 1 202 . 1 1 20 20 ASP HB2 H 1 2.748 0.000 . 2 . . . A 759 ASP HB2 . 25870 1 203 . 1 1 20 20 ASP HB3 H 1 1.976 0.000 . 2 . . . A 759 ASP HB3 . 25870 1 204 . 1 1 20 20 ASP CA C 13 52.171 0.000 . 1 . . . A 759 ASP CA . 25870 1 205 . 1 1 20 20 ASP CB C 13 38.009 0.000 . 1 . . . A 759 ASP CB . 25870 1 206 . 1 1 20 20 ASP N N 15 120.916 0.000 . 1 . . . A 759 ASP N . 25870 1 207 . 1 1 21 21 ARG H H 1 7.781 0.000 . 1 . . . A 760 ARG H . 25870 1 208 . 1 1 21 21 ARG HA H 1 3.768 0.000 . 1 . . . A 760 ARG HA . 25870 1 209 . 1 1 21 21 ARG HB2 H 1 1.761 0.000 . 2 . . . A 760 ARG HB2 . 25870 1 210 . 1 1 21 21 ARG HB3 H 1 1.829 0.000 . 2 . . . A 760 ARG HB3 . 25870 1 211 . 1 1 21 21 ARG HG2 H 1 1.685 0.000 . 2 . . . A 760 ARG HG2 . 25870 1 212 . 1 1 21 21 ARG HG3 H 1 1.618 0.000 . 2 . . . A 760 ARG HG3 . 25870 1 213 . 1 1 21 21 ARG HD2 H 1 3.149 0.000 . 1 . . . A 760 ARG HD2 . 25870 1 214 . 1 1 21 21 ARG HD3 H 1 3.149 0.000 . 1 . . . A 760 ARG HD3 . 25870 1 215 . 1 1 21 21 ARG CA C 13 58.275 0.000 . 1 . . . A 760 ARG CA . 25870 1 216 . 1 1 21 21 ARG CB C 13 30.249 0.000 . 1 . . . A 760 ARG CB . 25870 1 217 . 1 1 21 21 ARG CG C 13 27.197 0.000 . 1 . . . A 760 ARG CG . 25870 1 218 . 1 1 21 21 ARG CD C 13 43.038 0.000 . 1 . . . A 760 ARG CD . 25870 1 219 . 1 1 21 21 ARG N N 15 124.819 0.000 . 1 . . . A 760 ARG N . 25870 1 220 . 1 1 22 22 ASP H H 1 7.821 0.000 . 1 . . . A 761 ASP H . 25870 1 221 . 1 1 22 22 ASP HA H 1 4.483 0.000 . 1 . . . A 761 ASP HA . 25870 1 222 . 1 1 22 22 ASP HB2 H 1 2.726 0.000 . 2 . . . A 761 ASP HB2 . 25870 1 223 . 1 1 22 22 ASP HB3 H 1 2.496 0.000 . 2 . . . A 761 ASP HB3 . 25870 1 224 . 1 1 22 22 ASP CA C 13 51.977 0.000 . 1 . . . A 761 ASP CA . 25870 1 225 . 1 1 22 22 ASP CB C 13 39.522 0.003 . 1 . . . A 761 ASP CB . 25870 1 226 . 1 1 22 22 ASP N N 15 113.673 0.000 . 1 . . . A 761 ASP N . 25870 1 227 . 1 1 23 23 HIS H H 1 7.744 0.000 . 1 . . . A 762 HIS H . 25870 1 228 . 1 1 23 23 HIS HA H 1 4.161 0.000 . 1 . . . A 762 HIS HA . 25870 1 229 . 1 1 23 23 HIS HB2 H 1 3.328 0.000 . 2 . . . A 762 HIS HB2 . 25870 1 230 . 1 1 23 23 HIS HB3 H 1 3.289 0.000 . 2 . . . A 762 HIS HB3 . 25870 1 231 . 1 1 23 23 HIS HD2 H 1 7.184 0.000 . 1 . . . A 762 HIS HD2 . 25870 1 232 . 1 1 23 23 HIS HE1 H 1 8.351 0.000 . 1 . . . A 762 HIS HE1 . 25870 1 233 . 1 1 23 23 HIS CA C 13 56.618 0.000 . 1 . . . A 762 HIS CA . 25870 1 234 . 1 1 23 23 HIS CB C 13 26.380 0.002 . 1 . . . A 762 HIS CB . 25870 1 235 . 1 1 23 23 HIS CD2 C 13 120.258 0.000 . 1 . . . A 762 HIS CD2 . 25870 1 236 . 1 1 23 23 HIS CE1 C 13 136.710 0.000 . 1 . . . A 762 HIS CE1 . 25870 1 237 . 1 1 23 23 HIS N N 15 114.966 0.000 . 1 . . . A 762 HIS N . 25870 1 238 . 1 1 24 24 SER H H 1 8.726 0.000 . 1 . . . A 763 SER H . 25870 1 239 . 1 1 24 24 SER HA H 1 4.336 0.000 . 1 . . . A 763 SER HA . 25870 1 240 . 1 1 24 24 SER HB2 H 1 4.208 0.000 . 2 . . . A 763 SER HB2 . 25870 1 241 . 1 1 24 24 SER HB3 H 1 3.864 0.000 . 2 . . . A 763 SER HB3 . 25870 1 242 . 1 1 24 24 SER CA C 13 59.860 0.000 . 1 . . . A 763 SER CA . 25870 1 243 . 1 1 24 24 SER CB C 13 65.192 0.001 . 1 . . . A 763 SER CB . 25870 1 244 . 1 1 24 24 SER N N 15 115.077 0.000 . 1 . . . A 763 SER N . 25870 1 245 . 1 1 25 25 GLY H H 1 11.017 0.000 . 1 . . . A 764 GLY H . 25870 1 246 . 1 1 25 25 GLY HA2 H 1 3.704 0.000 . 2 . . . A 764 GLY HA2 . 25870 1 247 . 1 1 25 25 GLY HA3 H 1 4.374 0.000 . 2 . . . A 764 GLY HA3 . 25870 1 248 . 1 1 25 25 GLY CA C 13 45.449 0.005 . 1 . . . A 764 GLY CA . 25870 1 249 . 1 1 25 25 GLY N N 15 116.915 0.000 . 1 . . . A 764 GLY N . 25870 1 250 . 1 1 26 26 THR H H 1 7.693 0.000 . 1 . . . A 765 THR H . 25870 1 251 . 1 1 26 26 THR HA H 1 4.829 0.000 . 1 . . . A 765 THR HA . 25870 1 252 . 1 1 26 26 THR HB H 1 3.796 0.000 . 1 . . . A 765 THR HB . 25870 1 253 . 1 1 26 26 THR HG21 H 1 1.158 0.000 . 1 . . . A 765 THR HG21 . 25870 1 254 . 1 1 26 26 THR HG22 H 1 1.158 0.000 . 1 . . . A 765 THR HG22 . 25870 1 255 . 1 1 26 26 THR HG23 H 1 1.158 0.000 . 1 . . . A 765 THR HG23 . 25870 1 256 . 1 1 26 26 THR CA C 13 58.759 0.000 . 1 . . . A 765 THR CA . 25870 1 257 . 1 1 26 26 THR CB C 13 73.383 0.000 . 1 . . . A 765 THR CB . 25870 1 258 . 1 1 26 26 THR CG2 C 13 22.774 0.000 . 1 . . . A 765 THR CG2 . 25870 1 259 . 1 1 26 26 THR N N 15 107.334 0.000 . 1 . . . A 765 THR N . 25870 1 260 . 1 1 27 27 LEU H H 1 9.209 0.000 . 1 . . . A 766 LEU H . 25870 1 261 . 1 1 27 27 LEU HA H 1 4.900 0.000 . 1 . . . A 766 LEU HA . 25870 1 262 . 1 1 27 27 LEU HB2 H 1 1.650 0.000 . 2 . . . A 766 LEU HB2 . 25870 1 263 . 1 1 27 27 LEU HB3 H 1 1.177 0.000 . 2 . . . A 766 LEU HB3 . 25870 1 264 . 1 1 27 27 LEU HG H 1 0.475 0.000 . 1 . . . A 766 LEU HG . 25870 1 265 . 1 1 27 27 LEU HD11 H 1 0.137 0.000 . 2 . . . A 766 LEU HD11 . 25870 1 266 . 1 1 27 27 LEU HD12 H 1 0.137 0.000 . 2 . . . A 766 LEU HD12 . 25870 1 267 . 1 1 27 27 LEU HD13 H 1 0.137 0.000 . 2 . . . A 766 LEU HD13 . 25870 1 268 . 1 1 27 27 LEU HD21 H 1 0.853 0.000 . 2 . . . A 766 LEU HD21 . 25870 1 269 . 1 1 27 27 LEU HD22 H 1 0.853 0.000 . 2 . . . A 766 LEU HD22 . 25870 1 270 . 1 1 27 27 LEU HD23 H 1 0.853 0.000 . 2 . . . A 766 LEU HD23 . 25870 1 271 . 1 1 27 27 LEU CA C 13 52.339 0.000 . 1 . . . A 766 LEU CA . 25870 1 272 . 1 1 27 27 LEU CB C 13 42.339 0.005 . 1 . . . A 766 LEU CB . 25870 1 273 . 1 1 27 27 LEU CG C 13 27.230 0.000 . 1 . . . A 766 LEU CG . 25870 1 274 . 1 1 27 27 LEU CD1 C 13 21.859 0.000 . 1 . . . A 766 LEU CD1 . 25870 1 275 . 1 1 27 27 LEU CD2 C 13 25.245 0.000 . 1 . . . A 766 LEU CD2 . 25870 1 276 . 1 1 27 27 LEU N N 15 124.664 0.000 . 1 . . . A 766 LEU N . 25870 1 277 . 1 1 28 28 GLY H H 1 8.910 0.000 . 1 . . . A 767 GLY H . 25870 1 278 . 1 1 28 28 GLY HA2 H 1 4.024 0.000 . 2 . . . A 767 GLY HA2 . 25870 1 279 . 1 1 28 28 GLY HA3 H 1 4.548 0.000 . 2 . . . A 767 GLY HA3 . 25870 1 280 . 1 1 28 28 GLY CA C 13 44.123 0.005 . 1 . . . A 767 GLY CA . 25870 1 281 . 1 1 28 28 GLY N N 15 112.024 0.000 . 1 . . . A 767 GLY N . 25870 1 282 . 1 1 29 29 PRO HA H 1 4.318 0.000 . 1 . . . A 768 PRO HA . 25870 1 283 . 1 1 29 29 PRO HB2 H 1 2.520 0.000 . 2 . . . A 768 PRO HB2 . 25870 1 284 . 1 1 29 29 PRO HB3 H 1 2.119 0.000 . 2 . . . A 768 PRO HB3 . 25870 1 285 . 1 1 29 29 PRO HG2 H 1 1.969 0.000 . 2 . . . A 768 PRO HG2 . 25870 1 286 . 1 1 29 29 PRO HG3 H 1 2.297 0.000 . 2 . . . A 768 PRO HG3 . 25870 1 287 . 1 1 29 29 PRO HD2 H 1 3.736 0.000 . 2 . . . A 768 PRO HD2 . 25870 1 288 . 1 1 29 29 PRO HD3 H 1 3.970 0.000 . 2 . . . A 768 PRO HD3 . 25870 1 289 . 1 1 29 29 PRO CA C 13 67.127 0.000 . 1 . . . A 768 PRO CA . 25870 1 290 . 1 1 29 29 PRO CB C 13 32.029 0.007 . 1 . . . A 768 PRO CB . 25870 1 291 . 1 1 29 29 PRO CG C 13 28.371 0.006 . 1 . . . A 768 PRO CG . 25870 1 292 . 1 1 29 29 PRO CD C 13 48.832 0.001 . 1 . . . A 768 PRO CD . 25870 1 293 . 1 1 30 30 GLU H H 1 8.622 0.000 . 1 . . . A 769 GLU H . 25870 1 294 . 1 1 30 30 GLU HA H 1 3.971 0.000 . 1 . . . A 769 GLU HA . 25870 1 295 . 1 1 30 30 GLU HB2 H 1 2.066 0.000 . 2 . . . A 769 GLU HB2 . 25870 1 296 . 1 1 30 30 GLU HB3 H 1 2.019 0.000 . 2 . . . A 769 GLU HB3 . 25870 1 297 . 1 1 30 30 GLU HG2 H 1 2.319 0.000 . 1 . . . A 769 GLU HG2 . 25870 1 298 . 1 1 30 30 GLU HG3 H 1 2.319 0.000 . 1 . . . A 769 GLU HG3 . 25870 1 299 . 1 1 30 30 GLU CA C 13 59.621 0.000 . 1 . . . A 769 GLU CA . 25870 1 300 . 1 1 30 30 GLU CB C 13 28.628 0.000 . 1 . . . A 769 GLU CB . 25870 1 301 . 1 1 30 30 GLU CG C 13 36.562 0.000 . 1 . . . A 769 GLU CG . 25870 1 302 . 1 1 30 30 GLU N N 15 115.246 0.000 . 1 . . . A 769 GLU N . 25870 1 303 . 1 1 31 31 GLU H H 1 7.493 0.000 . 1 . . . A 770 GLU H . 25870 1 304 . 1 1 31 31 GLU HA H 1 4.272 0.000 . 1 . . . A 770 GLU HA . 25870 1 305 . 1 1 31 31 GLU HB2 H 1 2.315 0.000 . 2 . . . A 770 GLU HB2 . 25870 1 306 . 1 1 31 31 GLU HB3 H 1 2.283 0.000 . 2 . . . A 770 GLU HB3 . 25870 1 307 . 1 1 31 31 GLU HG2 H 1 2.686 0.000 . 2 . . . A 770 GLU HG2 . 25870 1 308 . 1 1 31 31 GLU HG3 H 1 2.431 0.000 . 2 . . . A 770 GLU HG3 . 25870 1 309 . 1 1 31 31 GLU CA C 13 58.497 0.000 . 1 . . . A 770 GLU CA . 25870 1 310 . 1 1 31 31 GLU CB C 13 31.372 0.000 . 1 . . . A 770 GLU CB . 25870 1 311 . 1 1 31 31 GLU CG C 13 36.438 0.013 . 1 . . . A 770 GLU CG . 25870 1 312 . 1 1 31 31 GLU N N 15 121.127 0.000 . 1 . . . A 770 GLU N . 25870 1 313 . 1 1 32 32 PHE H H 1 9.110 0.000 . 1 . . . A 771 PHE H . 25870 1 314 . 1 1 32 32 PHE HA H 1 4.355 0.000 . 1 . . . A 771 PHE HA . 25870 1 315 . 1 1 32 32 PHE HB2 H 1 2.961 0.000 . 2 . . . A 771 PHE HB2 . 25870 1 316 . 1 1 32 32 PHE HB3 H 1 3.033 0.000 . 2 . . . A 771 PHE HB3 . 25870 1 317 . 1 1 32 32 PHE HD1 H 1 7.267 0.000 . 1 . . . A 771 PHE HD1 . 25870 1 318 . 1 1 32 32 PHE HD2 H 1 7.266 0.000 . 1 . . . A 771 PHE HD2 . 25870 1 319 . 1 1 32 32 PHE HE1 H 1 6.945 0.000 . 1 . . . A 771 PHE HE1 . 25870 1 320 . 1 1 32 32 PHE HE2 H 1 6.947 0.000 . 1 . . . A 771 PHE HE2 . 25870 1 321 . 1 1 32 32 PHE HZ H 1 7.483 0.000 . 1 . . . A 771 PHE HZ . 25870 1 322 . 1 1 32 32 PHE CA C 13 58.625 0.000 . 1 . . . A 771 PHE CA . 25870 1 323 . 1 1 32 32 PHE CB C 13 38.810 0.000 . 1 . . . A 771 PHE CB . 25870 1 324 . 1 1 32 32 PHE CD1 C 13 131.652 0.000 . 1 . . . A 771 PHE CD1 . 25870 1 325 . 1 1 32 32 PHE CD2 C 13 131.646 0.000 . 1 . . . A 771 PHE CD2 . 25870 1 326 . 1 1 32 32 PHE CE1 C 13 130.602 0.000 . 1 . . . A 771 PHE CE1 . 25870 1 327 . 1 1 32 32 PHE CE2 C 13 130.605 0.000 . 1 . . . A 771 PHE CE2 . 25870 1 328 . 1 1 32 32 PHE CZ C 13 130.018 0.000 . 1 . . . A 771 PHE CZ . 25870 1 329 . 1 1 32 32 PHE N N 15 117.688 0.000 . 1 . . . A 771 PHE N . 25870 1 330 . 1 1 33 33 LYS H H 1 8.594 0.000 . 1 . . . A 772 LYS H . 25870 1 331 . 1 1 33 33 LYS HA H 1 3.313 0.000 . 1 . . . A 772 LYS HA . 25870 1 332 . 1 1 33 33 LYS HB2 H 1 1.402 0.000 . 2 . . . A 772 LYS HB2 . 25870 1 333 . 1 1 33 33 LYS HB3 H 1 1.498 0.000 . 2 . . . A 772 LYS HB3 . 25870 1 334 . 1 1 33 33 LYS HG2 H 1 0.734 0.000 . 2 . . . A 772 LYS HG2 . 25870 1 335 . 1 1 33 33 LYS HG3 H 1 0.982 0.000 . 2 . . . A 772 LYS HG3 . 25870 1 336 . 1 1 33 33 LYS HD2 H 1 1.140 0.000 . 2 . . . A 772 LYS HD2 . 25870 1 337 . 1 1 33 33 LYS HD3 H 1 1.237 0.000 . 2 . . . A 772 LYS HD3 . 25870 1 338 . 1 1 33 33 LYS HE2 H 1 2.098 0.000 . 1 . . . A 772 LYS HE2 . 25870 1 339 . 1 1 33 33 LYS HE3 H 1 2.098 0.000 . 1 . . . A 772 LYS HE3 . 25870 1 340 . 1 1 33 33 LYS CA C 13 60.672 0.000 . 1 . . . A 772 LYS CA . 25870 1 341 . 1 1 33 33 LYS CB C 13 31.979 0.007 . 1 . . . A 772 LYS CB . 25870 1 342 . 1 1 33 33 LYS CG C 13 25.264 0.010 . 1 . . . A 772 LYS CG . 25870 1 343 . 1 1 33 33 LYS CD C 13 29.088 0.002 . 1 . . . A 772 LYS CD . 25870 1 344 . 1 1 33 33 LYS CE C 13 40.940 0.000 . 1 . . . A 772 LYS CE . 25870 1 345 . 1 1 33 33 LYS N N 15 119.789 0.000 . 1 . . . A 772 LYS N . 25870 1 346 . 1 1 34 34 ALA H H 1 7.231 0.000 . 1 . . . A 773 ALA H . 25870 1 347 . 1 1 34 34 ALA HA H 1 3.881 0.000 . 1 . . . A 773 ALA HA . 25870 1 348 . 1 1 34 34 ALA HB1 H 1 1.567 0.000 . 1 . . . A 773 ALA HB1 . 25870 1 349 . 1 1 34 34 ALA HB2 H 1 1.567 0.000 . 1 . . . A 773 ALA HB2 . 25870 1 350 . 1 1 34 34 ALA HB3 H 1 1.567 0.000 . 1 . . . A 773 ALA HB3 . 25870 1 351 . 1 1 34 34 ALA CA C 13 55.013 0.000 . 1 . . . A 773 ALA CA . 25870 1 352 . 1 1 34 34 ALA CB C 13 17.629 0.000 . 1 . . . A 773 ALA CB . 25870 1 353 . 1 1 34 34 ALA N N 15 118.461 0.000 . 1 . . . A 773 ALA N . 25870 1 354 . 1 1 35 35 CYS H H 1 7.498 0.000 . 1 . . . A 774 CYS H . 25870 1 355 . 1 1 35 35 CYS HA H 1 2.435 0.000 . 1 . . . A 774 CYS HA . 25870 1 356 . 1 1 35 35 CYS HB2 H 1 2.206 0.000 . 2 . . . A 774 CYS HB2 . 25870 1 357 . 1 1 35 35 CYS HB3 H 1 2.895 0.000 . 2 . . . A 774 CYS HB3 . 25870 1 358 . 1 1 35 35 CYS CA C 13 61.174 0.000 . 1 . . . A 774 CYS CA . 25870 1 359 . 1 1 35 35 CYS CB C 13 26.215 0.002 . 1 . . . A 774 CYS CB . 25870 1 360 . 1 1 35 35 CYS N N 15 120.913 0.000 . 1 . . . A 774 CYS N . 25870 1 361 . 1 1 36 36 LEU H H 1 8.372 0.000 . 1 . . . A 775 LEU H . 25870 1 362 . 1 1 36 36 LEU HA H 1 3.766 0.000 . 1 . . . A 775 LEU HA . 25870 1 363 . 1 1 36 36 LEU HB2 H 1 0.874 0.000 . 2 . . . A 775 LEU HB2 . 25870 1 364 . 1 1 36 36 LEU HB3 H 1 1.648 0.000 . 2 . . . A 775 LEU HB3 . 25870 1 365 . 1 1 36 36 LEU HG H 1 0.688 0.000 . 1 . . . A 775 LEU HG . 25870 1 366 . 1 1 36 36 LEU HD11 H 1 0.059 0.000 . 2 . . . A 775 LEU HD11 . 25870 1 367 . 1 1 36 36 LEU HD12 H 1 0.059 0.000 . 2 . . . A 775 LEU HD12 . 25870 1 368 . 1 1 36 36 LEU HD13 H 1 0.059 0.000 . 2 . . . A 775 LEU HD13 . 25870 1 369 . 1 1 36 36 LEU HD21 H 1 0.049 0.000 . 2 . . . A 775 LEU HD21 . 25870 1 370 . 1 1 36 36 LEU HD22 H 1 0.049 0.000 . 2 . . . A 775 LEU HD22 . 25870 1 371 . 1 1 36 36 LEU HD23 H 1 0.049 0.000 . 2 . . . A 775 LEU HD23 . 25870 1 372 . 1 1 36 36 LEU CA C 13 57.932 0.000 . 1 . . . A 775 LEU CA . 25870 1 373 . 1 1 36 36 LEU CB C 13 40.950 0.029 . 1 . . . A 775 LEU CB . 25870 1 374 . 1 1 36 36 LEU CG C 13 25.910 0.000 . 1 . . . A 775 LEU CG . 25870 1 375 . 1 1 36 36 LEU CD1 C 13 26.122 0.000 . 1 . . . A 775 LEU CD1 . 25870 1 376 . 1 1 36 36 LEU CD2 C 13 21.483 0.000 . 1 . . . A 775 LEU CD2 . 25870 1 377 . 1 1 36 36 LEU N N 15 119.201 0.000 . 1 . . . A 775 LEU N . 25870 1 378 . 1 1 37 37 ILE H H 1 8.358 0.000 . 1 . . . A 776 ILE H . 25870 1 379 . 1 1 37 37 ILE HA H 1 4.090 0.000 . 1 . . . A 776 ILE HA . 25870 1 380 . 1 1 37 37 ILE HB H 1 1.774 0.000 . 1 . . . A 776 ILE HB . 25870 1 381 . 1 1 37 37 ILE HG12 H 1 1.655 0.000 . 2 . . . A 776 ILE HG12 . 25870 1 382 . 1 1 37 37 ILE HG13 H 1 1.105 0.000 . 2 . . . A 776 ILE HG13 . 25870 1 383 . 1 1 37 37 ILE HG21 H 1 0.917 0.000 . 1 . . . A 776 ILE HG21 . 25870 1 384 . 1 1 37 37 ILE HG22 H 1 0.917 0.000 . 1 . . . A 776 ILE HG22 . 25870 1 385 . 1 1 37 37 ILE HG23 H 1 0.917 0.000 . 1 . . . A 776 ILE HG23 . 25870 1 386 . 1 1 37 37 ILE HD11 H 1 0.773 0.000 . 1 . . . A 776 ILE HD11 . 25870 1 387 . 1 1 37 37 ILE HD12 H 1 0.773 0.000 . 1 . . . A 776 ILE HD12 . 25870 1 388 . 1 1 37 37 ILE HD13 H 1 0.773 0.000 . 1 . . . A 776 ILE HD13 . 25870 1 389 . 1 1 37 37 ILE CA C 13 65.244 0.000 . 1 . . . A 776 ILE CA . 25870 1 390 . 1 1 37 37 ILE CB C 13 37.991 0.000 . 1 . . . A 776 ILE CB . 25870 1 391 . 1 1 37 37 ILE CG1 C 13 30.078 0.003 . 1 . . . A 776 ILE CG1 . 25870 1 392 . 1 1 37 37 ILE CG2 C 13 16.827 0.000 . 1 . . . A 776 ILE CG2 . 25870 1 393 . 1 1 37 37 ILE CD1 C 13 13.616 0.000 . 1 . . . A 776 ILE CD1 . 25870 1 394 . 1 1 37 37 ILE N N 15 121.051 0.000 . 1 . . . A 776 ILE N . 25870 1 395 . 1 1 38 38 SER H H 1 7.822 0.000 . 1 . . . A 777 SER H . 25870 1 396 . 1 1 38 38 SER HA H 1 4.291 0.000 . 1 . . . A 777 SER HA . 25870 1 397 . 1 1 38 38 SER HB2 H 1 4.161 0.000 . 2 . . . A 777 SER HB2 . 25870 1 398 . 1 1 38 38 SER HB3 H 1 4.124 0.000 . 2 . . . A 777 SER HB3 . 25870 1 399 . 1 1 38 38 SER CA C 13 61.725 0.000 . 1 . . . A 777 SER CA . 25870 1 400 . 1 1 38 38 SER CB C 13 62.995 0.010 . 1 . . . A 777 SER CB . 25870 1 401 . 1 1 38 38 SER N N 15 119.109 0.000 . 1 . . . A 777 SER N . 25870 1 402 . 1 1 39 39 LEU H H 1 7.671 0.000 . 1 . . . A 778 LEU H . 25870 1 403 . 1 1 39 39 LEU HA H 1 4.506 0.000 . 1 . . . A 778 LEU HA . 25870 1 404 . 1 1 39 39 LEU HB2 H 1 2.118 0.000 . 2 . . . A 778 LEU HB2 . 25870 1 405 . 1 1 39 39 LEU HB3 H 1 1.985 0.000 . 2 . . . A 778 LEU HB3 . 25870 1 406 . 1 1 39 39 LEU HG H 1 1.119 0.000 . 1 . . . A 778 LEU HG . 25870 1 407 . 1 1 39 39 LEU HD11 H 1 1.072 0.000 . 2 . . . A 778 LEU HD11 . 25870 1 408 . 1 1 39 39 LEU HD12 H 1 1.072 0.000 . 2 . . . A 778 LEU HD12 . 25870 1 409 . 1 1 39 39 LEU HD13 H 1 1.072 0.000 . 2 . . . A 778 LEU HD13 . 25870 1 410 . 1 1 39 39 LEU HD21 H 1 2.049 0.000 . 2 . . . A 778 LEU HD21 . 25870 1 411 . 1 1 39 39 LEU HD22 H 1 2.049 0.000 . 2 . . . A 778 LEU HD22 . 25870 1 412 . 1 1 39 39 LEU HD23 H 1 2.049 0.000 . 2 . . . A 778 LEU HD23 . 25870 1 413 . 1 1 39 39 LEU CA C 13 54.999 0.000 . 1 . . . A 778 LEU CA . 25870 1 414 . 1 1 39 39 LEU CB C 13 42.670 0.004 . 1 . . . A 778 LEU CB . 25870 1 415 . 1 1 39 39 LEU CG C 13 27.080 0.000 . 1 . . . A 778 LEU CG . 25870 1 416 . 1 1 39 39 LEU CD1 C 13 22.510 0.000 . 1 . . . A 778 LEU CD1 . 25870 1 417 . 1 1 39 39 LEU CD2 C 13 26.529 0.000 . 1 . . . A 778 LEU CD2 . 25870 1 418 . 1 1 39 39 LEU N N 15 121.208 0.000 . 1 . . . A 778 LEU N . 25870 1 419 . 1 1 40 40 GLY H H 1 7.897 0.000 . 1 . . . A 779 GLY H . 25870 1 420 . 1 1 40 40 GLY HA2 H 1 4.240 0.000 . 2 . . . A 779 GLY HA2 . 25870 1 421 . 1 1 40 40 GLY HA3 H 1 3.684 0.000 . 2 . . . A 779 GLY HA3 . 25870 1 422 . 1 1 40 40 GLY CA C 13 45.287 0.014 . 1 . . . A 779 GLY CA . 25870 1 423 . 1 1 40 40 GLY N N 15 106.232 0.000 . 1 . . . A 779 GLY N . 25870 1 424 . 1 1 41 41 TYR H H 1 8.072 0.000 . 1 . . . A 780 TYR H . 25870 1 425 . 1 1 41 41 TYR HA H 1 4.142 0.000 . 1 . . . A 780 TYR HA . 25870 1 426 . 1 1 41 41 TYR HB2 H 1 2.532 0.000 . 2 . . . A 780 TYR HB2 . 25870 1 427 . 1 1 41 41 TYR HB3 H 1 2.586 0.000 . 2 . . . A 780 TYR HB3 . 25870 1 428 . 1 1 41 41 TYR HD1 H 1 7.340 0.000 . 1 . . . A 780 TYR HD1 . 25870 1 429 . 1 1 41 41 TYR HD2 H 1 7.340 0.000 . 1 . . . A 780 TYR HD2 . 25870 1 430 . 1 1 41 41 TYR HE1 H 1 6.783 0.000 . 1 . . . A 780 TYR HE1 . 25870 1 431 . 1 1 41 41 TYR HE2 H 1 6.783 0.000 . 1 . . . A 780 TYR HE2 . 25870 1 432 . 1 1 41 41 TYR CA C 13 59.231 0.000 . 1 . . . A 780 TYR CA . 25870 1 433 . 1 1 41 41 TYR CB C 13 38.341 0.000 . 1 . . . A 780 TYR CB . 25870 1 434 . 1 1 41 41 TYR CD1 C 13 133.582 0.000 . 1 . . . A 780 TYR CD1 . 25870 1 435 . 1 1 41 41 TYR CD2 C 13 133.582 0.000 . 1 . . . A 780 TYR CD2 . 25870 1 436 . 1 1 41 41 TYR CE1 C 13 117.630 0.000 . 1 . . . A 780 TYR CE1 . 25870 1 437 . 1 1 41 41 TYR CE2 C 13 117.630 0.000 . 1 . . . A 780 TYR CE2 . 25870 1 438 . 1 1 41 41 TYR N N 15 120.772 0.000 . 1 . . . A 780 TYR N . 25870 1 439 . 1 1 42 42 ASP H H 1 8.862 0.000 . 1 . . . A 781 ASP H . 25870 1 440 . 1 1 42 42 ASP HA H 1 4.665 0.000 . 1 . . . A 781 ASP HA . 25870 1 441 . 1 1 42 42 ASP HB2 H 1 2.797 0.000 . 2 . . . A 781 ASP HB2 . 25870 1 442 . 1 1 42 42 ASP HB3 H 1 2.495 0.000 . 2 . . . A 781 ASP HB3 . 25870 1 443 . 1 1 42 42 ASP CA C 13 53.148 0.000 . 1 . . . A 781 ASP CA . 25870 1 444 . 1 1 42 42 ASP CB C 13 39.804 0.010 . 1 . . . A 781 ASP CB . 25870 1 445 . 1 1 42 42 ASP N N 15 124.304 0.000 . 1 . . . A 781 ASP N . 25870 1 446 . 1 1 43 43 ILE H H 1 7.344 0.000 . 1 . . . A 782 ILE H . 25870 1 447 . 1 1 43 43 ILE HA H 1 4.341 0.000 . 1 . . . A 782 ILE HA . 25870 1 448 . 1 1 43 43 ILE HB H 1 1.761 0.000 . 1 . . . A 782 ILE HB . 25870 1 449 . 1 1 43 43 ILE HG12 H 1 1.252 0.000 . 2 . . . A 782 ILE HG12 . 25870 1 450 . 1 1 43 43 ILE HG13 H 1 1.036 0.000 . 2 . . . A 782 ILE HG13 . 25870 1 451 . 1 1 43 43 ILE HG21 H 1 0.792 0.000 . 1 . . . A 782 ILE HG21 . 25870 1 452 . 1 1 43 43 ILE HG22 H 1 0.792 0.000 . 1 . . . A 782 ILE HG22 . 25870 1 453 . 1 1 43 43 ILE HG23 H 1 0.792 0.000 . 1 . . . A 782 ILE HG23 . 25870 1 454 . 1 1 43 43 ILE HD11 H 1 0.740 0.000 . 1 . . . A 782 ILE HD11 . 25870 1 455 . 1 1 43 43 ILE HD12 H 1 0.740 0.000 . 1 . . . A 782 ILE HD12 . 25870 1 456 . 1 1 43 43 ILE HD13 H 1 0.740 0.000 . 1 . . . A 782 ILE HD13 . 25870 1 457 . 1 1 43 43 ILE CA C 13 58.992 0.000 . 1 . . . A 782 ILE CA . 25870 1 458 . 1 1 43 43 ILE CB C 13 37.907 0.000 . 1 . . . A 782 ILE CB . 25870 1 459 . 1 1 43 43 ILE CG1 C 13 26.794 0.004 . 1 . . . A 782 ILE CG1 . 25870 1 460 . 1 1 43 43 ILE CG2 C 13 18.431 0.000 . 1 . . . A 782 ILE CG2 . 25870 1 461 . 1 1 43 43 ILE CD1 C 13 13.577 0.000 . 1 . . . A 782 ILE CD1 . 25870 1 462 . 1 1 43 43 ILE N N 15 122.271 0.000 . 1 . . . A 782 ILE N . 25870 1 463 . 1 1 44 44 GLY H H 1 8.122 0.000 . 1 . . . A 783 GLY H . 25870 1 464 . 1 1 44 44 GLY HA2 H 1 4.075 0.000 . 2 . . . A 783 GLY HA2 . 25870 1 465 . 1 1 44 44 GLY HA3 H 1 3.735 0.000 . 2 . . . A 783 GLY HA3 . 25870 1 466 . 1 1 44 44 GLY CA C 13 44.523 0.002 . 1 . . . A 783 GLY CA . 25870 1 467 . 1 1 44 44 GLY N N 15 112.322 0.000 . 1 . . . A 783 GLY N . 25870 1 468 . 1 1 45 45 ASN H H 1 8.452 0.000 . 1 . . . A 784 ASN H . 25870 1 469 . 1 1 45 45 ASN HA H 1 4.882 0.000 . 1 . . . A 784 ASN HA . 25870 1 470 . 1 1 45 45 ASN HB2 H 1 2.832 0.000 . 2 . . . A 784 ASN HB2 . 25870 1 471 . 1 1 45 45 ASN HB3 H 1 2.643 0.000 . 2 . . . A 784 ASN HB3 . 25870 1 472 . 1 1 45 45 ASN HD21 H 1 7.622 0.000 . 2 . . . A 784 ASN HD21 . 25870 1 473 . 1 1 45 45 ASN HD22 H 1 6.864 0.000 . 2 . . . A 784 ASN HD22 . 25870 1 474 . 1 1 45 45 ASN CA C 13 52.098 0.000 . 1 . . . A 784 ASN CA . 25870 1 475 . 1 1 45 45 ASN CB C 13 37.424 0.000 . 1 . . . A 784 ASN CB . 25870 1 476 . 1 1 45 45 ASN N N 15 118.727 0.000 . 1 . . . A 784 ASN N . 25870 1 477 . 1 1 45 45 ASN ND2 N 15 112.819 0.000 . 1 . . . A 784 ASN ND2 . 25870 1 478 . 1 1 46 46 ASP H H 1 8.145 0.000 . 1 . . . A 785 ASP H . 25870 1 479 . 1 1 46 46 ASP HA H 1 4.778 0.000 . 1 . . . A 785 ASP HA . 25870 1 480 . 1 1 46 46 ASP HB2 H 1 2.976 0.000 . 2 . . . A 785 ASP HB2 . 25870 1 481 . 1 1 46 46 ASP HB3 H 1 2.736 0.000 . 2 . . . A 785 ASP HB3 . 25870 1 482 . 1 1 46 46 ASP CA C 13 52.164 0.000 . 1 . . . A 785 ASP CA . 25870 1 483 . 1 1 46 46 ASP CB C 13 39.657 0.008 . 1 . . . A 785 ASP CB . 25870 1 484 . 1 1 46 46 ASP N N 15 119.826 0.000 . 1 . . . A 785 ASP N . 25870 1 485 . 1 1 47 47 PRO HA H 1 4.271 0.000 . 1 . . . A 786 PRO HA . 25870 1 486 . 1 1 47 47 PRO HB2 H 1 1.847 0.000 . 2 . . . A 786 PRO HB2 . 25870 1 487 . 1 1 47 47 PRO HB3 H 1 2.392 0.000 . 2 . . . A 786 PRO HB3 . 25870 1 488 . 1 1 47 47 PRO HG2 H 1 2.133 0.000 . 1 . . . A 786 PRO HG2 . 25870 1 489 . 1 1 47 47 PRO HG3 H 1 2.134 0.000 . 1 . . . A 786 PRO HG3 . 25870 1 490 . 1 1 47 47 PRO HD2 H 1 3.794 0.000 . 1 . . . A 786 PRO HD2 . 25870 1 491 . 1 1 47 47 PRO HD3 H 1 3.794 0.000 . 1 . . . A 786 PRO HD3 . 25870 1 492 . 1 1 47 47 PRO CA C 13 66.265 0.000 . 1 . . . A 786 PRO CA . 25870 1 493 . 1 1 47 47 PRO CB C 13 32.011 0.000 . 1 . . . A 786 PRO CB . 25870 1 494 . 1 1 47 47 PRO CG C 13 28.334 0.000 . 1 . . . A 786 PRO CG . 25870 1 495 . 1 1 47 47 PRO CD C 13 50.614 0.000 . 1 . . . A 786 PRO CD . 25870 1 496 . 1 1 48 48 GLN H H 1 8.409 0.000 . 1 . . . A 787 GLN H . 25870 1 497 . 1 1 48 48 GLN HA H 1 4.141 0.000 . 1 . . . A 787 GLN HA . 25870 1 498 . 1 1 48 48 GLN HB2 H 1 2.151 0.000 . 2 . . . A 787 GLN HB2 . 25870 1 499 . 1 1 48 48 GLN HB3 H 1 2.062 0.000 . 2 . . . A 787 GLN HB3 . 25870 1 500 . 1 1 48 48 GLN HG2 H 1 2.454 0.000 . 2 . . . A 787 GLN HG2 . 25870 1 501 . 1 1 48 48 GLN HG3 H 1 2.398 0.000 . 2 . . . A 787 GLN HG3 . 25870 1 502 . 1 1 48 48 GLN HE21 H 1 7.809 0.000 . 2 . . . A 787 GLN HE21 . 25870 1 503 . 1 1 48 48 GLN HE22 H 1 6.843 0.000 . 2 . . . A 787 GLN HE22 . 25870 1 504 . 1 1 48 48 GLN CA C 13 59.115 0.000 . 1 . . . A 787 GLN CA . 25870 1 505 . 1 1 48 48 GLN CB C 13 27.732 0.000 . 1 . . . A 787 GLN CB . 25870 1 506 . 1 1 48 48 GLN CG C 13 34.364 0.009 . 1 . . . A 787 GLN CG . 25870 1 507 . 1 1 48 48 GLN N N 15 118.097 0.000 . 1 . . . A 787 GLN N . 25870 1 508 . 1 1 48 48 GLN NE2 N 15 115.286 0.000 . 1 . . . A 787 GLN NE2 . 25870 1 509 . 1 1 49 49 GLY H H 1 8.644 0.000 . 1 . . . A 788 GLY H . 25870 1 510 . 1 1 49 49 GLY HA2 H 1 4.280 0.000 . 2 . . . A 788 GLY HA2 . 25870 1 511 . 1 1 49 49 GLY HA3 H 1 4.040 0.000 . 2 . . . A 788 GLY HA3 . 25870 1 512 . 1 1 49 49 GLY CA C 13 47.317 0.005 . 1 . . . A 788 GLY CA . 25870 1 513 . 1 1 49 49 GLY N N 15 113.421 0.000 . 1 . . . A 788 GLY N . 25870 1 514 . 1 1 50 50 GLU H H 1 8.514 0.000 . 1 . . . A 789 GLU H . 25870 1 515 . 1 1 50 50 GLU HA H 1 4.148 0.000 . 1 . . . A 789 GLU HA . 25870 1 516 . 1 1 50 50 GLU HB2 H 1 2.062 0.000 . 2 . . . A 789 GLU HB2 . 25870 1 517 . 1 1 50 50 GLU HB3 H 1 2.044 0.000 . 2 . . . A 789 GLU HB3 . 25870 1 518 . 1 1 50 50 GLU HG2 H 1 2.374 0.000 . 2 . . . A 789 GLU HG2 . 25870 1 519 . 1 1 50 50 GLU HG3 H 1 2.218 0.000 . 2 . . . A 789 GLU HG3 . 25870 1 520 . 1 1 50 50 GLU CA C 13 59.344 0.000 . 1 . . . A 789 GLU CA . 25870 1 521 . 1 1 50 50 GLU CB C 13 29.435 0.004 . 1 . . . A 789 GLU CB . 25870 1 522 . 1 1 50 50 GLU CG C 13 36.249 0.000 . 1 . . . A 789 GLU CG . 25870 1 523 . 1 1 50 50 GLU N N 15 121.223 0.000 . 1 . . . A 789 GLU N . 25870 1 524 . 1 1 51 51 ALA H H 1 8.024 0.000 . 1 . . . A 790 ALA H . 25870 1 525 . 1 1 51 51 ALA HA H 1 4.247 0.000 . 1 . . . A 790 ALA HA . 25870 1 526 . 1 1 51 51 ALA HB1 H 1 1.549 0.000 . 1 . . . A 790 ALA HB1 . 25870 1 527 . 1 1 51 51 ALA HB2 H 1 1.549 0.000 . 1 . . . A 790 ALA HB2 . 25870 1 528 . 1 1 51 51 ALA HB3 H 1 1.549 0.000 . 1 . . . A 790 ALA HB3 . 25870 1 529 . 1 1 51 51 ALA CA C 13 54.907 0.000 . 1 . . . A 790 ALA CA . 25870 1 530 . 1 1 51 51 ALA CB C 13 17.780 0.000 . 1 . . . A 790 ALA CB . 25870 1 531 . 1 1 51 51 ALA N N 15 122.879 0.000 . 1 . . . A 790 ALA N . 25870 1 532 . 1 1 52 52 GLU H H 1 8.280 0.000 . 1 . . . A 791 GLU H . 25870 1 533 . 1 1 52 52 GLU HA H 1 4.687 0.000 . 1 . . . A 791 GLU HA . 25870 1 534 . 1 1 52 52 GLU HB2 H 1 2.136 0.000 . 2 . . . A 791 GLU HB2 . 25870 1 535 . 1 1 52 52 GLU HB3 H 1 2.237 0.000 . 2 . . . A 791 GLU HB3 . 25870 1 536 . 1 1 52 52 GLU HG2 H 1 2.229 0.000 . 2 . . . A 791 GLU HG2 . 25870 1 537 . 1 1 52 52 GLU HG3 H 1 2.530 0.000 . 2 . . . A 791 GLU HG3 . 25870 1 538 . 1 1 52 52 GLU CA C 13 58.134 0.000 . 1 . . . A 791 GLU CA . 25870 1 539 . 1 1 52 52 GLU CB C 13 29.061 0.000 . 1 . . . A 791 GLU CB . 25870 1 540 . 1 1 52 52 GLU CG C 13 34.427 0.018 . 1 . . . A 791 GLU CG . 25870 1 541 . 1 1 52 52 GLU N N 15 122.622 0.000 . 1 . . . A 791 GLU N . 25870 1 542 . 1 1 53 53 PHE H H 1 8.722 0.000 . 1 . . . A 792 PHE H . 25870 1 543 . 1 1 53 53 PHE HA H 1 4.038 0.000 . 1 . . . A 792 PHE HA . 25870 1 544 . 1 1 53 53 PHE HB2 H 1 3.085 0.000 . 2 . . . A 792 PHE HB2 . 25870 1 545 . 1 1 53 53 PHE HB3 H 1 3.118 0.000 . 2 . . . A 792 PHE HB3 . 25870 1 546 . 1 1 53 53 PHE HD1 H 1 7.146 0.000 . 1 . . . A 792 PHE HD1 . 25870 1 547 . 1 1 53 53 PHE HD2 H 1 7.146 0.000 . 1 . . . A 792 PHE HD2 . 25870 1 548 . 1 1 53 53 PHE HE1 H 1 7.110 0.000 . 1 . . . A 792 PHE HE1 . 25870 1 549 . 1 1 53 53 PHE HE2 H 1 7.110 0.000 . 1 . . . A 792 PHE HE2 . 25870 1 550 . 1 1 53 53 PHE HZ H 1 7.058 0.000 . 1 . . . A 792 PHE HZ . 25870 1 551 . 1 1 53 53 PHE CA C 13 61.812 0.000 . 1 . . . A 792 PHE CA . 25870 1 552 . 1 1 53 53 PHE CB C 13 38.598 0.000 . 1 . . . A 792 PHE CB . 25870 1 553 . 1 1 53 53 PHE CD1 C 13 130.738 0.000 . 1 . . . A 792 PHE CD1 . 25870 1 554 . 1 1 53 53 PHE CD2 C 13 130.738 0.000 . 1 . . . A 792 PHE CD2 . 25870 1 555 . 1 1 53 53 PHE CE1 C 13 131.045 0.000 . 1 . . . A 792 PHE CE1 . 25870 1 556 . 1 1 53 53 PHE CE2 C 13 131.045 0.000 . 1 . . . A 792 PHE CE2 . 25870 1 557 . 1 1 53 53 PHE CZ C 13 131.321 0.000 . 1 . . . A 792 PHE CZ . 25870 1 558 . 1 1 53 53 PHE N N 15 119.949 0.000 . 1 . . . A 792 PHE N . 25870 1 559 . 1 1 54 54 ALA H H 1 8.163 0.000 . 1 . . . A 793 ALA H . 25870 1 560 . 1 1 54 54 ALA HA H 1 3.854 0.000 . 1 . . . A 793 ALA HA . 25870 1 561 . 1 1 54 54 ALA HB1 H 1 1.469 0.000 . 1 . . . A 793 ALA HB1 . 25870 1 562 . 1 1 54 54 ALA HB2 H 1 1.469 0.000 . 1 . . . A 793 ALA HB2 . 25870 1 563 . 1 1 54 54 ALA HB3 H 1 1.469 0.000 . 1 . . . A 793 ALA HB3 . 25870 1 564 . 1 1 54 54 ALA CA C 13 54.902 0.000 . 1 . . . A 793 ALA CA . 25870 1 565 . 1 1 54 54 ALA CB C 13 17.628 0.000 . 1 . . . A 793 ALA CB . 25870 1 566 . 1 1 54 54 ALA N N 15 119.652 0.000 . 1 . . . A 793 ALA N . 25870 1 567 . 1 1 55 55 ARG H H 1 8.034 0.000 . 1 . . . A 794 ARG H . 25870 1 568 . 1 1 55 55 ARG HA H 1 3.910 0.000 . 1 . . . A 794 ARG HA . 25870 1 569 . 1 1 55 55 ARG HB2 H 1 2.275 0.000 . 2 . . . A 794 ARG HB2 . 25870 1 570 . 1 1 55 55 ARG HB3 H 1 1.901 0.000 . 2 . . . A 794 ARG HB3 . 25870 1 571 . 1 1 55 55 ARG HG2 H 1 1.325 0.000 . 1 . . . A 794 ARG HG2 . 25870 1 572 . 1 1 55 55 ARG HG3 H 1 1.325 0.000 . 1 . . . A 794 ARG HG3 . 25870 1 573 . 1 1 55 55 ARG HD2 H 1 3.414 0.000 . 2 . . . A 794 ARG HD2 . 25870 1 574 . 1 1 55 55 ARG HD3 H 1 3.021 0.000 . 2 . . . A 794 ARG HD3 . 25870 1 575 . 1 1 55 55 ARG CA C 13 59.471 0.000 . 1 . . . A 794 ARG CA . 25870 1 576 . 1 1 55 55 ARG CB C 13 30.092 0.004 . 1 . . . A 794 ARG CB . 25870 1 577 . 1 1 55 55 ARG CG C 13 27.272 0.000 . 1 . . . A 794 ARG CG . 25870 1 578 . 1 1 55 55 ARG CD C 13 42.772 0.001 . 1 . . . A 794 ARG CD . 25870 1 579 . 1 1 55 55 ARG N N 15 121.092 0.000 . 1 . . . A 794 ARG N . 25870 1 580 . 1 1 56 56 ILE H H 1 8.049 0.000 . 1 . . . A 795 ILE H . 25870 1 581 . 1 1 56 56 ILE HA H 1 3.388 0.000 . 1 . . . A 795 ILE HA . 25870 1 582 . 1 1 56 56 ILE HB H 1 1.512 0.000 . 1 . . . A 795 ILE HB . 25870 1 583 . 1 1 56 56 ILE HG12 H 1 1.774 0.000 . 2 . . . A 795 ILE HG12 . 25870 1 584 . 1 1 56 56 ILE HG13 H 1 0.874 0.000 . 2 . . . A 795 ILE HG13 . 25870 1 585 . 1 1 56 56 ILE HG21 H 1 0.349 0.000 . 1 . . . A 795 ILE HG21 . 25870 1 586 . 1 1 56 56 ILE HG22 H 1 0.349 0.000 . 1 . . . A 795 ILE HG22 . 25870 1 587 . 1 1 56 56 ILE HG23 H 1 0.349 0.000 . 1 . . . A 795 ILE HG23 . 25870 1 588 . 1 1 56 56 ILE HD11 H 1 0.676 0.000 . 1 . . . A 795 ILE HD11 . 25870 1 589 . 1 1 56 56 ILE HD12 H 1 0.676 0.000 . 1 . . . A 795 ILE HD12 . 25870 1 590 . 1 1 56 56 ILE HD13 H 1 0.676 0.000 . 1 . . . A 795 ILE HD13 . 25870 1 591 . 1 1 56 56 ILE CA C 13 65.848 0.000 . 1 . . . A 795 ILE CA . 25870 1 592 . 1 1 56 56 ILE CB C 13 38.209 0.000 . 1 . . . A 795 ILE CB . 25870 1 593 . 1 1 56 56 ILE CG1 C 13 29.155 0.023 . 1 . . . A 795 ILE CG1 . 25870 1 594 . 1 1 56 56 ILE CG2 C 13 17.697 0.000 . 1 . . . A 795 ILE CG2 . 25870 1 595 . 1 1 56 56 ILE CD1 C 13 14.248 0.000 . 1 . . . A 795 ILE CD1 . 25870 1 596 . 1 1 56 56 ILE N N 15 121.394 0.000 . 1 . . . A 795 ILE N . 25870 1 597 . 1 1 57 57 MET H H 1 8.589 0.000 . 1 . . . A 796 MET H . 25870 1 598 . 1 1 57 57 MET HA H 1 4.155 0.000 . 1 . . . A 796 MET HA . 25870 1 599 . 1 1 57 57 MET HB2 H 1 1.634 0.000 . 2 . . . A 796 MET HB2 . 25870 1 600 . 1 1 57 57 MET HB3 H 1 1.778 0.000 . 2 . . . A 796 MET HB3 . 25870 1 601 . 1 1 57 57 MET HG2 H 1 2.102 0.000 . 2 . . . A 796 MET HG2 . 25870 1 602 . 1 1 57 57 MET HG3 H 1 1.571 0.000 . 2 . . . A 796 MET HG3 . 25870 1 603 . 1 1 57 57 MET HE1 H 1 1.711 0.000 . 1 . . . A 796 MET HE1 . 25870 1 604 . 1 1 57 57 MET HE2 H 1 1.711 0.000 . 1 . . . A 796 MET HE2 . 25870 1 605 . 1 1 57 57 MET HE3 H 1 1.711 0.000 . 1 . . . A 796 MET HE3 . 25870 1 606 . 1 1 57 57 MET CA C 13 56.470 0.000 . 1 . . . A 796 MET CA . 25870 1 607 . 1 1 57 57 MET CB C 13 29.892 0.007 . 1 . . . A 796 MET CB . 25870 1 608 . 1 1 57 57 MET CG C 13 32.249 0.000 . 1 . . . A 796 MET CG . 25870 1 609 . 1 1 57 57 MET CE C 13 15.427 0.000 . 1 . . . A 796 MET CE . 25870 1 610 . 1 1 57 57 MET N N 15 119.012 0.000 . 1 . . . A 796 MET N . 25870 1 611 . 1 1 58 58 SER H H 1 7.732 0.000 . 1 . . . A 797 SER H . 25870 1 612 . 1 1 58 58 SER HA H 1 4.097 0.000 . 1 . . . A 797 SER HA . 25870 1 613 . 1 1 58 58 SER HB2 H 1 3.945 0.000 . 2 . . . A 797 SER HB2 . 25870 1 614 . 1 1 58 58 SER HB3 H 1 3.887 0.000 . 2 . . . A 797 SER HB3 . 25870 1 615 . 1 1 58 58 SER CA C 13 61.231 0.000 . 1 . . . A 797 SER CA . 25870 1 616 . 1 1 58 58 SER CB C 13 62.895 0.005 . 1 . . . A 797 SER CB . 25870 1 617 . 1 1 58 58 SER N N 15 114.132 0.000 . 1 . . . A 797 SER N . 25870 1 618 . 1 1 59 59 ILE H H 1 7.352 0.000 . 1 . . . A 798 ILE H . 25870 1 619 . 1 1 59 59 ILE HA H 1 3.818 0.000 . 1 . . . A 798 ILE HA . 25870 1 620 . 1 1 59 59 ILE HB H 1 2.037 0.000 . 1 . . . A 798 ILE HB . 25870 1 621 . 1 1 59 59 ILE HG12 H 1 1.810 0.000 . 2 . . . A 798 ILE HG12 . 25870 1 622 . 1 1 59 59 ILE HG13 H 1 1.026 0.000 . 2 . . . A 798 ILE HG13 . 25870 1 623 . 1 1 59 59 ILE HG21 H 1 0.973 0.000 . 1 . . . A 798 ILE HG21 . 25870 1 624 . 1 1 59 59 ILE HG22 H 1 0.973 0.000 . 1 . . . A 798 ILE HG22 . 25870 1 625 . 1 1 59 59 ILE HG23 H 1 0.973 0.000 . 1 . . . A 798 ILE HG23 . 25870 1 626 . 1 1 59 59 ILE HD11 H 1 0.920 0.000 . 1 . . . A 798 ILE HD11 . 25870 1 627 . 1 1 59 59 ILE HD12 H 1 0.920 0.000 . 1 . . . A 798 ILE HD12 . 25870 1 628 . 1 1 59 59 ILE HD13 H 1 0.920 0.000 . 1 . . . A 798 ILE HD13 . 25870 1 629 . 1 1 59 59 ILE CA C 13 63.875 0.000 . 1 . . . A 798 ILE CA . 25870 1 630 . 1 1 59 59 ILE CB C 13 38.863 0.000 . 1 . . . A 798 ILE CB . 25870 1 631 . 1 1 59 59 ILE CG1 C 13 28.152 0.001 . 1 . . . A 798 ILE CG1 . 25870 1 632 . 1 1 59 59 ILE CG2 C 13 17.300 0.000 . 1 . . . A 798 ILE CG2 . 25870 1 633 . 1 1 59 59 ILE CD1 C 13 13.904 0.000 . 1 . . . A 798 ILE CD1 . 25870 1 634 . 1 1 59 59 ILE N N 15 120.873 0.000 . 1 . . . A 798 ILE N . 25870 1 635 . 1 1 60 60 VAL H H 1 7.648 0.000 . 1 . . . A 799 VAL H . 25870 1 636 . 1 1 60 60 VAL HA H 1 4.243 0.000 . 1 . . . A 799 VAL HA . 25870 1 637 . 1 1 60 60 VAL HB H 1 1.937 0.000 . 1 . . . A 799 VAL HB . 25870 1 638 . 1 1 60 60 VAL HG11 H 1 0.628 0.000 . 2 . . . A 799 VAL HG11 . 25870 1 639 . 1 1 60 60 VAL HG12 H 1 0.628 0.000 . 2 . . . A 799 VAL HG12 . 25870 1 640 . 1 1 60 60 VAL HG13 H 1 0.628 0.000 . 2 . . . A 799 VAL HG13 . 25870 1 641 . 1 1 60 60 VAL HG21 H 1 0.640 0.000 . 2 . . . A 799 VAL HG21 . 25870 1 642 . 1 1 60 60 VAL HG22 H 1 0.640 0.000 . 2 . . . A 799 VAL HG22 . 25870 1 643 . 1 1 60 60 VAL HG23 H 1 0.640 0.000 . 2 . . . A 799 VAL HG23 . 25870 1 644 . 1 1 60 60 VAL CA C 13 62.616 0.000 . 1 . . . A 799 VAL CA . 25870 1 645 . 1 1 60 60 VAL CB C 13 32.416 0.000 . 1 . . . A 799 VAL CB . 25870 1 646 . 1 1 60 60 VAL CG1 C 13 22.271 0.000 . 1 . . . A 799 VAL CG1 . 25870 1 647 . 1 1 60 60 VAL CG2 C 13 21.256 0.000 . 1 . . . A 799 VAL CG2 . 25870 1 648 . 1 1 60 60 VAL N N 15 110.552 0.000 . 1 . . . A 799 VAL N . 25870 1 649 . 1 1 61 61 ASP H H 1 8.074 0.000 . 1 . . . A 800 ASP H . 25870 1 650 . 1 1 61 61 ASP HA H 1 5.225 0.000 . 1 . . . A 800 ASP HA . 25870 1 651 . 1 1 61 61 ASP HB2 H 1 2.697 0.000 . 2 . . . A 800 ASP HB2 . 25870 1 652 . 1 1 61 61 ASP HB3 H 1 2.036 0.000 . 2 . . . A 800 ASP HB3 . 25870 1 653 . 1 1 61 61 ASP CA C 13 51.715 0.000 . 1 . . . A 800 ASP CA . 25870 1 654 . 1 1 61 61 ASP CB C 13 41.086 0.002 . 1 . . . A 800 ASP CB . 25870 1 655 . 1 1 61 61 ASP N N 15 119.435 0.000 . 1 . . . A 800 ASP N . 25870 1 656 . 1 1 62 62 PRO HA H 1 4.331 0.000 . 1 . . . A 801 PRO HA . 25870 1 657 . 1 1 62 62 PRO HB2 H 1 1.907 0.000 . 2 . . . A 801 PRO HB2 . 25870 1 658 . 1 1 62 62 PRO HB3 H 1 2.304 0.000 . 2 . . . A 801 PRO HB3 . 25870 1 659 . 1 1 62 62 PRO HG2 H 1 2.051 0.000 . 2 . . . A 801 PRO HG2 . 25870 1 660 . 1 1 62 62 PRO HG3 H 1 2.038 0.000 . 2 . . . A 801 PRO HG3 . 25870 1 661 . 1 1 62 62 PRO HD2 H 1 3.332 0.000 . 2 . . . A 801 PRO HD2 . 25870 1 662 . 1 1 62 62 PRO HD3 H 1 3.579 0.000 . 2 . . . A 801 PRO HD3 . 25870 1 663 . 1 1 62 62 PRO CA C 13 64.819 0.000 . 1 . . . A 801 PRO CA . 25870 1 664 . 1 1 62 62 PRO CB C 13 31.689 0.000 . 1 . . . A 801 PRO CB . 25870 1 665 . 1 1 62 62 PRO CG C 13 27.327 0.011 . 1 . . . A 801 PRO CG . 25870 1 666 . 1 1 62 62 PRO CD C 13 50.535 0.000 . 1 . . . A 801 PRO CD . 25870 1 667 . 1 1 63 63 ASN H H 1 8.949 0.000 . 1 . . . A 802 ASN H . 25870 1 668 . 1 1 63 63 ASN HA H 1 4.760 0.000 . 1 . . . A 802 ASN HA . 25870 1 669 . 1 1 63 63 ASN HB2 H 1 2.749 0.000 . 2 . . . A 802 ASN HB2 . 25870 1 670 . 1 1 63 63 ASN HB3 H 1 2.860 0.000 . 2 . . . A 802 ASN HB3 . 25870 1 671 . 1 1 63 63 ASN HD21 H 1 7.352 0.000 . 2 . . . A 802 ASN HD21 . 25870 1 672 . 1 1 63 63 ASN HD22 H 1 7.060 0.000 . 2 . . . A 802 ASN HD22 . 25870 1 673 . 1 1 63 63 ASN CA C 13 52.998 0.000 . 1 . . . A 802 ASN CA . 25870 1 674 . 1 1 63 63 ASN CB C 13 37.952 0.000 . 1 . . . A 802 ASN CB . 25870 1 675 . 1 1 63 63 ASN N N 15 115.164 0.000 . 1 . . . A 802 ASN N . 25870 1 676 . 1 1 63 63 ASN ND2 N 15 113.802 0.000 . 1 . . . A 802 ASN ND2 . 25870 1 677 . 1 1 64 64 ARG H H 1 7.958 0.000 . 1 . . . A 803 ARG H . 25870 1 678 . 1 1 64 64 ARG HA H 1 3.830 0.000 . 1 . . . A 803 ARG HA . 25870 1 679 . 1 1 64 64 ARG HB2 H 1 1.908 0.000 . 2 . . . A 803 ARG HB2 . 25870 1 680 . 1 1 64 64 ARG HB3 H 1 1.803 0.000 . 2 . . . A 803 ARG HB3 . 25870 1 681 . 1 1 64 64 ARG HG2 H 1 1.525 0.000 . 2 . . . A 803 ARG HG2 . 25870 1 682 . 1 1 64 64 ARG HG3 H 1 1.475 0.000 . 2 . . . A 803 ARG HG3 . 25870 1 683 . 1 1 64 64 ARG HD2 H 1 3.163 0.000 . 2 . . . A 803 ARG HD2 . 25870 1 684 . 1 1 64 64 ARG HD3 H 1 3.108 0.000 . 2 . . . A 803 ARG HD3 . 25870 1 685 . 1 1 64 64 ARG CA C 13 56.888 0.000 . 1 . . . A 803 ARG CA . 25870 1 686 . 1 1 64 64 ARG CB C 13 26.354 0.000 . 1 . . . A 803 ARG CB . 25870 1 687 . 1 1 64 64 ARG CG C 13 27.365 0.000 . 1 . . . A 803 ARG CG . 25870 1 688 . 1 1 64 64 ARG CD C 13 43.443 0.000 . 1 . . . A 803 ARG CD . 25870 1 689 . 1 1 64 64 ARG N N 15 117.446 0.000 . 1 . . . A 803 ARG N . 25870 1 690 . 1 1 65 65 LEU H H 1 10.591 0.000 . 1 . . . A 804 LEU H . 25870 1 691 . 1 1 65 65 LEU HA H 1 4.156 0.000 . 1 . . . A 804 LEU HA . 25870 1 692 . 1 1 65 65 LEU HB2 H 1 1.885 0.000 . 2 . . . A 804 LEU HB2 . 25870 1 693 . 1 1 65 65 LEU HB3 H 1 1.489 0.000 . 2 . . . A 804 LEU HB3 . 25870 1 694 . 1 1 65 65 LEU HG H 1 1.618 0.000 . 1 . . . A 804 LEU HG . 25870 1 695 . 1 1 65 65 LEU HD11 H 1 0.788 0.000 . 2 . . . A 804 LEU HD11 . 25870 1 696 . 1 1 65 65 LEU HD12 H 1 0.788 0.000 . 2 . . . A 804 LEU HD12 . 25870 1 697 . 1 1 65 65 LEU HD13 H 1 0.788 0.000 . 2 . . . A 804 LEU HD13 . 25870 1 698 . 1 1 65 65 LEU HD21 H 1 0.886 0.000 . 2 . . . A 804 LEU HD21 . 25870 1 699 . 1 1 65 65 LEU HD22 H 1 0.886 0.000 . 2 . . . A 804 LEU HD22 . 25870 1 700 . 1 1 65 65 LEU HD23 H 1 0.886 0.000 . 2 . . . A 804 LEU HD23 . 25870 1 701 . 1 1 65 65 LEU CA C 13 56.373 0.000 . 1 . . . A 804 LEU CA . 25870 1 702 . 1 1 65 65 LEU CB C 13 42.930 0.001 . 1 . . . A 804 LEU CB . 25870 1 703 . 1 1 65 65 LEU CG C 13 27.272 0.000 . 1 . . . A 804 LEU CG . 25870 1 704 . 1 1 65 65 LEU CD1 C 13 22.255 0.000 . 1 . . . A 804 LEU CD1 . 25870 1 705 . 1 1 65 65 LEU CD2 C 13 25.191 0.000 . 1 . . . A 804 LEU CD2 . 25870 1 706 . 1 1 65 65 LEU N N 15 123.307 0.000 . 1 . . . A 804 LEU N . 25870 1 707 . 1 1 66 66 GLY H H 1 11.001 0.000 . 1 . . . A 805 GLY H . 25870 1 708 . 1 1 66 66 GLY HA2 H 1 4.056 0.000 . 2 . . . A 805 GLY HA2 . 25870 1 709 . 1 1 66 66 GLY HA3 H 1 3.334 0.000 . 2 . . . A 805 GLY HA3 . 25870 1 710 . 1 1 66 66 GLY CA C 13 44.944 0.000 . 1 . . . A 805 GLY CA . 25870 1 711 . 1 1 66 66 GLY N N 15 110.516 0.000 . 1 . . . A 805 GLY N . 25870 1 712 . 1 1 67 67 VAL H H 1 6.831 0.000 . 1 . . . A 806 VAL H . 25870 1 713 . 1 1 67 67 VAL HA H 1 4.571 0.000 . 1 . . . A 806 VAL HA . 25870 1 714 . 1 1 67 67 VAL HB H 1 1.650 0.000 . 1 . . . A 806 VAL HB . 25870 1 715 . 1 1 67 67 VAL HG11 H 1 0.753 0.000 . 2 . . . A 806 VAL HG11 . 25870 1 716 . 1 1 67 67 VAL HG12 H 1 0.753 0.000 . 2 . . . A 806 VAL HG12 . 25870 1 717 . 1 1 67 67 VAL HG13 H 1 0.753 0.000 . 2 . . . A 806 VAL HG13 . 25870 1 718 . 1 1 67 67 VAL HG21 H 1 0.598 0.000 . 2 . . . A 806 VAL HG21 . 25870 1 719 . 1 1 67 67 VAL HG22 H 1 0.598 0.000 . 2 . . . A 806 VAL HG22 . 25870 1 720 . 1 1 67 67 VAL HG23 H 1 0.598 0.000 . 2 . . . A 806 VAL HG23 . 25870 1 721 . 1 1 67 67 VAL CA C 13 58.566 0.000 . 1 . . . A 806 VAL CA . 25870 1 722 . 1 1 67 67 VAL CB C 13 36.853 0.000 . 1 . . . A 806 VAL CB . 25870 1 723 . 1 1 67 67 VAL CG1 C 13 21.733 0.000 . 1 . . . A 806 VAL CG1 . 25870 1 724 . 1 1 67 67 VAL CG2 C 13 18.246 0.000 . 1 . . . A 806 VAL CG2 . 25870 1 725 . 1 1 67 67 VAL N N 15 109.840 0.000 . 1 . . . A 806 VAL N . 25870 1 726 . 1 1 68 68 VAL H H 1 9.007 0.000 . 1 . . . A 807 VAL H . 25870 1 727 . 1 1 68 68 VAL HA H 1 4.167 0.000 . 1 . . . A 807 VAL HA . 25870 1 728 . 1 1 68 68 VAL HB H 1 1.826 0.000 . 1 . . . A 807 VAL HB . 25870 1 729 . 1 1 68 68 VAL HG11 H 1 0.616 0.000 . 2 . . . A 807 VAL HG11 . 25870 1 730 . 1 1 68 68 VAL HG12 H 1 0.616 0.000 . 2 . . . A 807 VAL HG12 . 25870 1 731 . 1 1 68 68 VAL HG13 H 1 0.616 0.000 . 2 . . . A 807 VAL HG13 . 25870 1 732 . 1 1 68 68 VAL HG21 H 1 -0.054 0.000 . 2 . . . A 807 VAL HG21 . 25870 1 733 . 1 1 68 68 VAL HG22 H 1 -0.054 0.000 . 2 . . . A 807 VAL HG22 . 25870 1 734 . 1 1 68 68 VAL HG23 H 1 -0.054 0.000 . 2 . . . A 807 VAL HG23 . 25870 1 735 . 1 1 68 68 VAL CA C 13 61.644 0.000 . 1 . . . A 807 VAL CA . 25870 1 736 . 1 1 68 68 VAL CB C 13 32.383 0.000 . 1 . . . A 807 VAL CB . 25870 1 737 . 1 1 68 68 VAL CG1 C 13 20.530 0.000 . 1 . . . A 807 VAL CG1 . 25870 1 738 . 1 1 68 68 VAL CG2 C 13 20.249 0.000 . 1 . . . A 807 VAL CG2 . 25870 1 739 . 1 1 68 68 VAL N N 15 122.184 0.000 . 1 . . . A 807 VAL N . 25870 1 740 . 1 1 69 69 THR H H 1 7.925 0.000 . 1 . . . A 808 THR H . 25870 1 741 . 1 1 69 69 THR HA H 1 4.593 0.000 . 1 . . . A 808 THR HA . 25870 1 742 . 1 1 69 69 THR HB H 1 4.773 0.000 . 1 . . . A 808 THR HB . 25870 1 743 . 1 1 69 69 THR HG21 H 1 1.275 0.000 . 1 . . . A 808 THR HG21 . 25870 1 744 . 1 1 69 69 THR HG22 H 1 1.275 0.000 . 1 . . . A 808 THR HG22 . 25870 1 745 . 1 1 69 69 THR HG23 H 1 1.275 0.000 . 1 . . . A 808 THR HG23 . 25870 1 746 . 1 1 69 69 THR CA C 13 60.615 0.000 . 1 . . . A 808 THR CA . 25870 1 747 . 1 1 69 69 THR CB C 13 70.695 0.000 . 1 . . . A 808 THR CB . 25870 1 748 . 1 1 69 69 THR CG2 C 13 21.984 0.000 . 1 . . . A 808 THR CG2 . 25870 1 749 . 1 1 69 69 THR N N 15 117.391 0.000 . 1 . . . A 808 THR N . 25870 1 750 . 1 1 70 70 PHE H H 1 9.349 0.000 . 1 . . . A 809 PHE H . 25870 1 751 . 1 1 70 70 PHE HA H 1 3.640 0.000 . 1 . . . A 809 PHE HA . 25870 1 752 . 1 1 70 70 PHE HB2 H 1 2.656 0.000 . 2 . . . A 809 PHE HB2 . 25870 1 753 . 1 1 70 70 PHE HB3 H 1 2.360 0.000 . 2 . . . A 809 PHE HB3 . 25870 1 754 . 1 1 70 70 PHE HD1 H 1 7.276 0.000 . 1 . . . A 809 PHE HD1 . 25870 1 755 . 1 1 70 70 PHE HD2 H 1 7.277 0.000 . 1 . . . A 809 PHE HD2 . 25870 1 756 . 1 1 70 70 PHE HE1 H 1 6.390 0.000 . 1 . . . A 809 PHE HE1 . 25870 1 757 . 1 1 70 70 PHE HE2 H 1 6.390 0.000 . 1 . . . A 809 PHE HE2 . 25870 1 758 . 1 1 70 70 PHE HZ H 1 6.944 0.000 . 1 . . . A 809 PHE HZ . 25870 1 759 . 1 1 70 70 PHE CA C 13 61.749 0.000 . 1 . . . A 809 PHE CA . 25870 1 760 . 1 1 70 70 PHE CB C 13 38.177 0.000 . 1 . . . A 809 PHE CB . 25870 1 761 . 1 1 70 70 PHE CD1 C 13 131.694 0.000 . 1 . . . A 809 PHE CD1 . 25870 1 762 . 1 1 70 70 PHE CD2 C 13 131.705 0.000 . 1 . . . A 809 PHE CD2 . 25870 1 763 . 1 1 70 70 PHE CE1 C 13 131.700 0.000 . 1 . . . A 809 PHE CE1 . 25870 1 764 . 1 1 70 70 PHE CE2 C 13 131.700 0.000 . 1 . . . A 809 PHE CE2 . 25870 1 765 . 1 1 70 70 PHE CZ C 13 130.973 0.000 . 1 . . . A 809 PHE CZ . 25870 1 766 . 1 1 70 70 PHE N N 15 122.236 0.000 . 1 . . . A 809 PHE N . 25870 1 767 . 1 1 71 71 GLN H H 1 8.572 0.000 . 1 . . . A 810 GLN H . 25870 1 768 . 1 1 71 71 GLN HA H 1 3.598 0.000 . 1 . . . A 810 GLN HA . 25870 1 769 . 1 1 71 71 GLN HB2 H 1 1.869 0.000 . 2 . . . A 810 GLN HB2 . 25870 1 770 . 1 1 71 71 GLN HB3 H 1 2.130 0.000 . 2 . . . A 810 GLN HB3 . 25870 1 771 . 1 1 71 71 GLN HG2 H 1 2.379 0.000 . 2 . . . A 810 GLN HG2 . 25870 1 772 . 1 1 71 71 GLN HG3 H 1 2.311 0.000 . 2 . . . A 810 GLN HG3 . 25870 1 773 . 1 1 71 71 GLN HE21 H 1 6.796 0.000 . 2 . . . A 810 GLN HE21 . 25870 1 774 . 1 1 71 71 GLN HE22 H 1 7.459 0.000 . 2 . . . A 810 GLN HE22 . 25870 1 775 . 1 1 71 71 GLN CA C 13 58.582 0.000 . 1 . . . A 810 GLN CA . 25870 1 776 . 1 1 71 71 GLN CB C 13 28.199 0.000 . 1 . . . A 810 GLN CB . 25870 1 777 . 1 1 71 71 GLN CG C 13 33.702 0.000 . 1 . . . A 810 GLN CG . 25870 1 778 . 1 1 71 71 GLN N N 15 116.788 0.000 . 1 . . . A 810 GLN N . 25870 1 779 . 1 1 71 71 GLN NE2 N 15 112.233 0.001 . 1 . . . A 810 GLN NE2 . 25870 1 780 . 1 1 72 72 ALA H H 1 7.667 0.000 . 1 . . . A 811 ALA H . 25870 1 781 . 1 1 72 72 ALA HA H 1 4.119 0.000 . 1 . . . A 811 ALA HA . 25870 1 782 . 1 1 72 72 ALA HB1 H 1 1.597 0.000 . 1 . . . A 811 ALA HB1 . 25870 1 783 . 1 1 72 72 ALA HB2 H 1 1.597 0.000 . 1 . . . A 811 ALA HB2 . 25870 1 784 . 1 1 72 72 ALA HB3 H 1 1.597 0.000 . 1 . . . A 811 ALA HB3 . 25870 1 785 . 1 1 72 72 ALA CA C 13 54.911 0.000 . 1 . . . A 811 ALA CA . 25870 1 786 . 1 1 72 72 ALA CB C 13 19.265 0.000 . 1 . . . A 811 ALA CB . 25870 1 787 . 1 1 72 72 ALA N N 15 121.208 0.000 . 1 . . . A 811 ALA N . 25870 1 788 . 1 1 73 73 PHE H H 1 8.400 0.000 . 1 . . . A 812 PHE H . 25870 1 789 . 1 1 73 73 PHE HA H 1 3.980 0.000 . 1 . . . A 812 PHE HA . 25870 1 790 . 1 1 73 73 PHE HB2 H 1 3.351 0.000 . 2 . . . A 812 PHE HB2 . 25870 1 791 . 1 1 73 73 PHE HB3 H 1 3.106 0.000 . 2 . . . A 812 PHE HB3 . 25870 1 792 . 1 1 73 73 PHE HD1 H 1 7.090 0.000 . 1 . . . A 812 PHE HD1 . 25870 1 793 . 1 1 73 73 PHE HD2 H 1 7.090 0.000 . 1 . . . A 812 PHE HD2 . 25870 1 794 . 1 1 73 73 PHE HE1 H 1 6.353 0.000 . 1 . . . A 812 PHE HE1 . 25870 1 795 . 1 1 73 73 PHE HE2 H 1 6.353 0.000 . 1 . . . A 812 PHE HE2 . 25870 1 796 . 1 1 73 73 PHE HZ H 1 6.884 0.000 . 1 . . . A 812 PHE HZ . 25870 1 797 . 1 1 73 73 PHE CA C 13 61.740 0.000 . 1 . . . A 812 PHE CA . 25870 1 798 . 1 1 73 73 PHE CB C 13 39.670 0.000 . 1 . . . A 812 PHE CB . 25870 1 799 . 1 1 73 73 PHE CD1 C 13 131.573 0.000 . 1 . . . A 812 PHE CD1 . 25870 1 800 . 1 1 73 73 PHE CD2 C 13 131.573 0.000 . 1 . . . A 812 PHE CD2 . 25870 1 801 . 1 1 73 73 PHE CE1 C 13 129.328 0.000 . 1 . . . A 812 PHE CE1 . 25870 1 802 . 1 1 73 73 PHE CE2 C 13 129.328 0.000 . 1 . . . A 812 PHE CE2 . 25870 1 803 . 1 1 73 73 PHE CZ C 13 131.417 0.000 . 1 . . . A 812 PHE CZ . 25870 1 804 . 1 1 73 73 PHE N N 15 119.805 0.000 . 1 . . . A 812 PHE N . 25870 1 805 . 1 1 74 74 ILE H H 1 8.364 0.000 . 1 . . . A 813 ILE H . 25870 1 806 . 1 1 74 74 ILE HA H 1 3.146 0.000 . 1 . . . A 813 ILE HA . 25870 1 807 . 1 1 74 74 ILE HB H 1 1.644 0.000 . 1 . . . A 813 ILE HB . 25870 1 808 . 1 1 74 74 ILE HG12 H 1 0.907 0.000 . 1 . . . A 813 ILE HG12 . 25870 1 809 . 1 1 74 74 ILE HG13 H 1 0.907 0.000 . 1 . . . A 813 ILE HG13 . 25870 1 810 . 1 1 74 74 ILE HG21 H 1 0.593 0.000 . 1 . . . A 813 ILE HG21 . 25870 1 811 . 1 1 74 74 ILE HG22 H 1 0.593 0.000 . 1 . . . A 813 ILE HG22 . 25870 1 812 . 1 1 74 74 ILE HG23 H 1 0.593 0.000 . 1 . . . A 813 ILE HG23 . 25870 1 813 . 1 1 74 74 ILE HD11 H 1 0.566 0.000 . 1 . . . A 813 ILE HD11 . 25870 1 814 . 1 1 74 74 ILE HD12 H 1 0.566 0.000 . 1 . . . A 813 ILE HD12 . 25870 1 815 . 1 1 74 74 ILE HD13 H 1 0.566 0.000 . 1 . . . A 813 ILE HD13 . 25870 1 816 . 1 1 74 74 ILE CA C 13 63.299 0.000 . 1 . . . A 813 ILE CA . 25870 1 817 . 1 1 74 74 ILE CB C 13 36.202 0.000 . 1 . . . A 813 ILE CB . 25870 1 818 . 1 1 74 74 ILE CG1 C 13 26.619 0.000 . 1 . . . A 813 ILE CG1 . 25870 1 819 . 1 1 74 74 ILE CG2 C 13 18.534 0.000 . 1 . . . A 813 ILE CG2 . 25870 1 820 . 1 1 74 74 ILE CD1 C 13 12.288 0.000 . 1 . . . A 813 ILE CD1 . 25870 1 821 . 1 1 74 74 ILE N N 15 118.098 0.000 . 1 . . . A 813 ILE N . 25870 1 822 . 1 1 75 75 ASP H H 1 8.221 0.000 . 1 . . . A 814 ASP H . 25870 1 823 . 1 1 75 75 ASP HA H 1 4.196 0.000 . 1 . . . A 814 ASP HA . 25870 1 824 . 1 1 75 75 ASP HB2 H 1 2.731 0.000 . 2 . . . A 814 ASP HB2 . 25870 1 825 . 1 1 75 75 ASP HB3 H 1 2.605 0.000 . 2 . . . A 814 ASP HB3 . 25870 1 826 . 1 1 75 75 ASP CA C 13 57.680 0.000 . 1 . . . A 814 ASP CA . 25870 1 827 . 1 1 75 75 ASP CB C 13 40.236 0.000 . 1 . . . A 814 ASP CB . 25870 1 828 . 1 1 75 75 ASP N N 15 123.528 0.000 . 1 . . . A 814 ASP N . 25870 1 829 . 1 1 76 76 PHE H H 1 7.887 0.000 . 1 . . . A 815 PHE H . 25870 1 830 . 1 1 76 76 PHE HA H 1 4.129 0.000 . 1 . . . A 815 PHE HA . 25870 1 831 . 1 1 76 76 PHE HB2 H 1 2.960 0.000 . 2 . . . A 815 PHE HB2 . 25870 1 832 . 1 1 76 76 PHE HB3 H 1 3.146 0.000 . 2 . . . A 815 PHE HB3 . 25870 1 833 . 1 1 76 76 PHE HD1 H 1 7.080 0.000 . 1 . . . A 815 PHE HD1 . 25870 1 834 . 1 1 76 76 PHE HD2 H 1 7.080 0.000 . 1 . . . A 815 PHE HD2 . 25870 1 835 . 1 1 76 76 PHE HE1 H 1 6.886 0.000 . 1 . . . A 815 PHE HE1 . 25870 1 836 . 1 1 76 76 PHE HE2 H 1 6.886 0.000 . 1 . . . A 815 PHE HE2 . 25870 1 837 . 1 1 76 76 PHE HZ H 1 7.277 0.000 . 1 . . . A 815 PHE HZ . 25870 1 838 . 1 1 76 76 PHE CA C 13 61.084 0.000 . 1 . . . A 815 PHE CA . 25870 1 839 . 1 1 76 76 PHE CB C 13 39.698 0.000 . 1 . . . A 815 PHE CB . 25870 1 840 . 1 1 76 76 PHE CD1 C 13 130.060 0.000 . 1 . . . A 815 PHE CD1 . 25870 1 841 . 1 1 76 76 PHE CD2 C 13 130.060 0.000 . 1 . . . A 815 PHE CD2 . 25870 1 842 . 1 1 76 76 PHE CE1 C 13 131.325 0.000 . 1 . . . A 815 PHE CE1 . 25870 1 843 . 1 1 76 76 PHE CE2 C 13 131.331 0.000 . 1 . . . A 815 PHE CE2 . 25870 1 844 . 1 1 76 76 PHE CZ C 13 131.404 0.000 . 1 . . . A 815 PHE CZ . 25870 1 845 . 1 1 76 76 PHE N N 15 120.584 0.000 . 1 . . . A 815 PHE N . 25870 1 846 . 1 1 77 77 MET H H 1 8.372 0.000 . 1 . . . A 816 MET H . 25870 1 847 . 1 1 77 77 MET HA H 1 3.782 0.000 . 1 . . . A 816 MET HA . 25870 1 848 . 1 1 77 77 MET HB2 H 1 0.975 0.000 . 1 . . . A 816 MET HB2 . 25870 1 849 . 1 1 77 77 MET HB3 H 1 0.975 0.000 . 1 . . . A 816 MET HB3 . 25870 1 850 . 1 1 77 77 MET HG2 H 1 1.195 0.000 . 2 . . . A 816 MET HG2 . 25870 1 851 . 1 1 77 77 MET HG3 H 1 1.571 0.000 . 2 . . . A 816 MET HG3 . 25870 1 852 . 1 1 77 77 MET HE1 H 1 1.787 0.000 . 1 . . . A 816 MET HE1 . 25870 1 853 . 1 1 77 77 MET HE2 H 1 1.787 0.000 . 1 . . . A 816 MET HE2 . 25870 1 854 . 1 1 77 77 MET HE3 H 1 1.787 0.000 . 1 . . . A 816 MET HE3 . 25870 1 855 . 1 1 77 77 MET CA C 13 55.662 0.000 . 1 . . . A 816 MET CA . 25870 1 856 . 1 1 77 77 MET CB C 13 30.033 0.000 . 1 . . . A 816 MET CB . 25870 1 857 . 1 1 77 77 MET CG C 13 31.668 0.010 . 1 . . . A 816 MET CG . 25870 1 858 . 1 1 77 77 MET CE C 13 17.086 0.000 . 1 . . . A 816 MET CE . 25870 1 859 . 1 1 77 77 MET N N 15 116.960 0.000 . 1 . . . A 816 MET N . 25870 1 860 . 1 1 78 78 SER H H 1 8.074 0.000 . 1 . . . A 817 SER H . 25870 1 861 . 1 1 78 78 SER HA H 1 4.194 0.000 . 1 . . . A 817 SER HA . 25870 1 862 . 1 1 78 78 SER HB2 H 1 3.831 0.000 . 2 . . . A 817 SER HB2 . 25870 1 863 . 1 1 78 78 SER HB3 H 1 3.993 0.000 . 2 . . . A 817 SER HB3 . 25870 1 864 . 1 1 78 78 SER CA C 13 60.521 0.000 . 1 . . . A 817 SER CA . 25870 1 865 . 1 1 78 78 SER CB C 13 63.185 0.004 . 1 . . . A 817 SER CB . 25870 1 866 . 1 1 78 78 SER N N 15 114.277 0.000 . 1 . . . A 817 SER N . 25870 1 867 . 1 1 79 79 ARG H H 1 7.288 0.000 . 1 . . . A 818 ARG H . 25870 1 868 . 1 1 79 79 ARG HA H 1 4.124 0.000 . 1 . . . A 818 ARG HA . 25870 1 869 . 1 1 79 79 ARG HB2 H 1 1.829 0.000 . 2 . . . A 818 ARG HB2 . 25870 1 870 . 1 1 79 79 ARG HB3 H 1 1.770 0.000 . 2 . . . A 818 ARG HB3 . 25870 1 871 . 1 1 79 79 ARG HG2 H 1 1.581 0.000 . 2 . . . A 818 ARG HG2 . 25870 1 872 . 1 1 79 79 ARG HG3 H 1 1.686 0.000 . 2 . . . A 818 ARG HG3 . 25870 1 873 . 1 1 79 79 ARG HD2 H 1 3.115 0.000 . 2 . . . A 818 ARG HD2 . 25870 1 874 . 1 1 79 79 ARG HD3 H 1 3.101 0.000 . 2 . . . A 818 ARG HD3 . 25870 1 875 . 1 1 79 79 ARG CA C 13 57.684 0.000 . 1 . . . A 818 ARG CA . 25870 1 876 . 1 1 79 79 ARG CB C 13 30.315 0.000 . 1 . . . A 818 ARG CB . 25870 1 877 . 1 1 79 79 ARG CG C 13 27.362 0.017 . 1 . . . A 818 ARG CG . 25870 1 878 . 1 1 79 79 ARG CD C 13 43.340 0.000 . 1 . . . A 818 ARG CD . 25870 1 879 . 1 1 79 79 ARG N N 15 121.493 0.000 . 1 . . . A 818 ARG N . 25870 1 880 . 1 1 80 80 GLU H H 1 8.045 0.000 . 1 . . . A 819 GLU H . 25870 1 881 . 1 1 80 80 GLU HA H 1 4.101 0.000 . 1 . . . A 819 GLU HA . 25870 1 882 . 1 1 80 80 GLU HB2 H 1 1.921 0.000 . 2 . . . A 819 GLU HB2 . 25870 1 883 . 1 1 80 80 GLU HB3 H 1 1.750 0.000 . 2 . . . A 819 GLU HB3 . 25870 1 884 . 1 1 80 80 GLU HG2 H 1 1.772 0.000 . 2 . . . A 819 GLU HG2 . 25870 1 885 . 1 1 80 80 GLU HG3 H 1 1.714 0.000 . 2 . . . A 819 GLU HG3 . 25870 1 886 . 1 1 80 80 GLU CA C 13 57.066 0.000 . 1 . . . A 819 GLU CA . 25870 1 887 . 1 1 80 80 GLU CB C 13 30.491 0.000 . 1 . . . A 819 GLU CB . 25870 1 888 . 1 1 80 80 GLU CG C 13 36.380 0.002 . 1 . . . A 819 GLU CG . 25870 1 889 . 1 1 80 80 GLU N N 15 119.737 0.000 . 1 . . . A 819 GLU N . 25870 1 890 . 1 1 81 81 THR H H 1 7.760 0.000 . 1 . . . A 820 THR H . 25870 1 891 . 1 1 81 81 THR HA H 1 4.280 0.000 . 1 . . . A 820 THR HA . 25870 1 892 . 1 1 81 81 THR HB H 1 4.238 0.000 . 1 . . . A 820 THR HB . 25870 1 893 . 1 1 81 81 THR HG21 H 1 1.211 0.000 . 1 . . . A 820 THR HG21 . 25870 1 894 . 1 1 81 81 THR HG22 H 1 1.211 0.000 . 1 . . . A 820 THR HG22 . 25870 1 895 . 1 1 81 81 THR HG23 H 1 1.211 0.000 . 1 . . . A 820 THR HG23 . 25870 1 896 . 1 1 81 81 THR CA C 13 62.055 0.000 . 1 . . . A 820 THR CA . 25870 1 897 . 1 1 81 81 THR CB C 13 69.828 0.000 . 1 . . . A 820 THR CB . 25870 1 898 . 1 1 81 81 THR CG2 C 13 21.474 0.000 . 1 . . . A 820 THR CG2 . 25870 1 899 . 1 1 81 81 THR N N 15 112.128 0.000 . 1 . . . A 820 THR N . 25870 1 900 . 1 1 82 82 ALA H H 1 7.957 0.000 . 1 . . . A 821 ALA H . 25870 1 901 . 1 1 82 82 ALA HA H 1 4.284 0.000 . 1 . . . A 821 ALA HA . 25870 1 902 . 1 1 82 82 ALA HB1 H 1 1.368 0.000 . 1 . . . A 821 ALA HB1 . 25870 1 903 . 1 1 82 82 ALA HB2 H 1 1.368 0.000 . 1 . . . A 821 ALA HB2 . 25870 1 904 . 1 1 82 82 ALA HB3 H 1 1.368 0.000 . 1 . . . A 821 ALA HB3 . 25870 1 905 . 1 1 82 82 ALA CA C 13 52.726 0.000 . 1 . . . A 821 ALA CA . 25870 1 906 . 1 1 82 82 ALA CB C 13 19.304 0.000 . 1 . . . A 821 ALA CB . 25870 1 907 . 1 1 82 82 ALA N N 15 126.098 0.000 . 1 . . . A 821 ALA N . 25870 1 908 . 1 1 83 83 ASP H H 1 8.352 0.000 . 1 . . . A 822 ASP H . 25870 1 909 . 1 1 83 83 ASP HA H 1 4.613 0.000 . 1 . . . A 822 ASP HA . 25870 1 910 . 1 1 83 83 ASP HB2 H 1 2.696 0.000 . 2 . . . A 822 ASP HB2 . 25870 1 911 . 1 1 83 83 ASP HB3 H 1 2.609 0.000 . 2 . . . A 822 ASP HB3 . 25870 1 912 . 1 1 83 83 ASP CA C 13 54.335 0.000 . 1 . . . A 822 ASP CA . 25870 1 913 . 1 1 83 83 ASP CB C 13 41.032 0.000 . 1 . . . A 822 ASP CB . 25870 1 914 . 1 1 83 83 ASP N N 15 119.904 0.000 . 1 . . . A 822 ASP N . 25870 1 915 . 1 1 84 84 THR H H 1 8.079 0.000 . 1 . . . A 823 THR H . 25870 1 916 . 1 1 84 84 THR HA H 1 4.278 0.000 . 1 . . . A 823 THR HA . 25870 1 917 . 1 1 84 84 THR HB H 1 4.225 0.000 . 1 . . . A 823 THR HB . 25870 1 918 . 1 1 84 84 THR HG21 H 1 1.161 0.000 . 1 . . . A 823 THR HG21 . 25870 1 919 . 1 1 84 84 THR HG22 H 1 1.161 0.000 . 1 . . . A 823 THR HG22 . 25870 1 920 . 1 1 84 84 THR HG23 H 1 1.161 0.000 . 1 . . . A 823 THR HG23 . 25870 1 921 . 1 1 84 84 THR CA C 13 62.117 0.000 . 1 . . . A 823 THR CA . 25870 1 922 . 1 1 84 84 THR CB C 13 69.584 0.000 . 1 . . . A 823 THR CB . 25870 1 923 . 1 1 84 84 THR CG2 C 13 21.545 0.000 . 1 . . . A 823 THR CG2 . 25870 1 924 . 1 1 84 84 THR N N 15 114.142 0.000 . 1 . . . A 823 THR N . 25870 1 925 . 1 1 85 85 ASP H H 1 8.431 0.000 . 1 . . . A 824 ASP H . 25870 1 926 . 1 1 85 85 ASP HA H 1 4.657 0.000 . 1 . . . A 824 ASP HA . 25870 1 927 . 1 1 85 85 ASP HB2 H 1 2.699 0.000 . 2 . . . A 824 ASP HB2 . 25870 1 928 . 1 1 85 85 ASP HB3 H 1 2.609 0.000 . 2 . . . A 824 ASP HB3 . 25870 1 929 . 1 1 85 85 ASP CA C 13 54.786 0.000 . 1 . . . A 824 ASP CA . 25870 1 930 . 1 1 85 85 ASP CB C 13 41.085 0.000 . 1 . . . A 824 ASP CB . 25870 1 931 . 1 1 85 85 ASP N N 15 123.261 0.000 . 1 . . . A 824 ASP N . 25870 1 932 . 1 1 86 86 THR H H 1 8.155 0.000 . 1 . . . A 825 THR H . 25870 1 933 . 1 1 86 86 THR HA H 1 4.161 0.000 . 1 . . . A 825 THR HA . 25870 1 934 . 1 1 86 86 THR HB H 1 4.223 0.000 . 1 . . . A 825 THR HB . 25870 1 935 . 1 1 86 86 THR HG21 H 1 1.123 0.000 . 1 . . . A 825 THR HG21 . 25870 1 936 . 1 1 86 86 THR HG22 H 1 1.123 0.000 . 1 . . . A 825 THR HG22 . 25870 1 937 . 1 1 86 86 THR HG23 H 1 1.123 0.000 . 1 . . . A 825 THR HG23 . 25870 1 938 . 1 1 86 86 THR CA C 13 63.109 0.000 . 1 . . . A 825 THR CA . 25870 1 939 . 1 1 86 86 THR CB C 13 69.455 0.000 . 1 . . . A 825 THR CB . 25870 1 940 . 1 1 86 86 THR CG2 C 13 21.755 0.000 . 1 . . . A 825 THR CG2 . 25870 1 941 . 1 1 86 86 THR N N 15 114.932 0.000 . 1 . . . A 825 THR N . 25870 1 942 . 1 1 87 87 ALA H H 1 8.379 0.000 . 1 . . . A 826 ALA H . 25870 1 943 . 1 1 87 87 ALA HA H 1 4.160 0.000 . 1 . . . A 826 ALA HA . 25870 1 944 . 1 1 87 87 ALA HB1 H 1 1.459 0.000 . 1 . . . A 826 ALA HB1 . 25870 1 945 . 1 1 87 87 ALA HB2 H 1 1.459 0.000 . 1 . . . A 826 ALA HB2 . 25870 1 946 . 1 1 87 87 ALA HB3 H 1 1.459 0.000 . 1 . . . A 826 ALA HB3 . 25870 1 947 . 1 1 87 87 ALA CA C 13 54.392 0.000 . 1 . . . A 826 ALA CA . 25870 1 948 . 1 1 87 87 ALA CB C 13 18.610 0.000 . 1 . . . A 826 ALA CB . 25870 1 949 . 1 1 87 87 ALA N N 15 124.961 0.000 . 1 . . . A 826 ALA N . 25870 1 950 . 1 1 88 88 ASP H H 1 8.250 0.000 . 1 . . . A 827 ASP H . 25870 1 951 . 1 1 88 88 ASP HA H 1 4.425 0.000 . 1 . . . A 827 ASP HA . 25870 1 952 . 1 1 88 88 ASP HB2 H 1 2.661 0.000 . 1 . . . A 827 ASP HB2 . 25870 1 953 . 1 1 88 88 ASP HB3 H 1 2.661 0.000 . 1 . . . A 827 ASP HB3 . 25870 1 954 . 1 1 88 88 ASP CA C 13 56.051 0.000 . 1 . . . A 827 ASP CA . 25870 1 955 . 1 1 88 88 ASP CB C 13 40.559 0.000 . 1 . . . A 827 ASP CB . 25870 1 956 . 1 1 88 88 ASP N N 15 117.765 0.000 . 1 . . . A 827 ASP N . 25870 1 957 . 1 1 89 89 GLN H H 1 8.076 0.000 . 1 . . . A 828 GLN H . 25870 1 958 . 1 1 89 89 GLN HA H 1 4.091 0.000 . 1 . . . A 828 GLN HA . 25870 1 959 . 1 1 89 89 GLN HB2 H 1 2.066 0.000 . 1 . . . A 828 GLN HB2 . 25870 1 960 . 1 1 89 89 GLN HB3 H 1 2.066 0.000 . 1 . . . A 828 GLN HB3 . 25870 1 961 . 1 1 89 89 GLN HG2 H 1 2.378 0.000 . 2 . . . A 828 GLN HG2 . 25870 1 962 . 1 1 89 89 GLN HG3 H 1 2.310 0.000 . 2 . . . A 828 GLN HG3 . 25870 1 963 . 1 1 89 89 GLN HE21 H 1 6.627 0.000 . 2 . . . A 828 GLN HE21 . 25870 1 964 . 1 1 89 89 GLN HE22 H 1 7.448 0.000 . 2 . . . A 828 GLN HE22 . 25870 1 965 . 1 1 89 89 GLN CA C 13 57.814 0.000 . 1 . . . A 828 GLN CA . 25870 1 966 . 1 1 89 89 GLN CB C 13 28.549 0.000 . 1 . . . A 828 GLN CB . 25870 1 967 . 1 1 89 89 GLN CG C 13 33.812 0.000 . 1 . . . A 828 GLN CG . 25870 1 968 . 1 1 89 89 GLN N N 15 120.523 0.000 . 1 . . . A 828 GLN N . 25870 1 969 . 1 1 89 89 GLN NE2 N 15 110.097 0.004 . 1 . . . A 828 GLN NE2 . 25870 1 970 . 1 1 90 90 VAL H H 1 8.051 0.000 . 1 . . . A 829 VAL H . 25870 1 971 . 1 1 90 90 VAL HA H 1 3.525 0.000 . 1 . . . A 829 VAL HA . 25870 1 972 . 1 1 90 90 VAL HB H 1 1.906 0.000 . 1 . . . A 829 VAL HB . 25870 1 973 . 1 1 90 90 VAL HG11 H 1 0.809 0.000 . 2 . . . A 829 VAL HG11 . 25870 1 974 . 1 1 90 90 VAL HG12 H 1 0.809 0.000 . 2 . . . A 829 VAL HG12 . 25870 1 975 . 1 1 90 90 VAL HG13 H 1 0.809 0.000 . 2 . . . A 829 VAL HG13 . 25870 1 976 . 1 1 90 90 VAL HG21 H 1 0.488 0.000 . 2 . . . A 829 VAL HG21 . 25870 1 977 . 1 1 90 90 VAL HG22 H 1 0.488 0.000 . 2 . . . A 829 VAL HG22 . 25870 1 978 . 1 1 90 90 VAL HG23 H 1 0.488 0.000 . 2 . . . A 829 VAL HG23 . 25870 1 979 . 1 1 90 90 VAL CA C 13 65.194 0.000 . 1 . . . A 829 VAL CA . 25870 1 980 . 1 1 90 90 VAL CB C 13 31.541 0.000 . 1 . . . A 829 VAL CB . 25870 1 981 . 1 1 90 90 VAL CG1 C 13 21.859 0.000 . 1 . . . A 829 VAL CG1 . 25870 1 982 . 1 1 90 90 VAL CG2 C 13 21.500 0.000 . 1 . . . A 829 VAL CG2 . 25870 1 983 . 1 1 90 90 VAL N N 15 120.970 0.000 . 1 . . . A 829 VAL N . 25870 1 984 . 1 1 91 91 MET H H 1 8.110 0.000 . 1 . . . A 830 MET H . 25870 1 985 . 1 1 91 91 MET HA H 1 4.006 0.000 . 1 . . . A 830 MET HA . 25870 1 986 . 1 1 91 91 MET HB2 H 1 2.106 0.000 . 2 . . . A 830 MET HB2 . 25870 1 987 . 1 1 91 91 MET HB3 H 1 2.170 0.000 . 2 . . . A 830 MET HB3 . 25870 1 988 . 1 1 91 91 MET HG2 H 1 2.731 0.000 . 1 . . . A 830 MET HG2 . 25870 1 989 . 1 1 91 91 MET HG3 H 1 2.731 0.000 . 1 . . . A 830 MET HG3 . 25870 1 990 . 1 1 91 91 MET HE1 H 1 2.273 0.000 . 1 . . . A 830 MET HE1 . 25870 1 991 . 1 1 91 91 MET HE2 H 1 2.273 0.000 . 1 . . . A 830 MET HE2 . 25870 1 992 . 1 1 91 91 MET HE3 H 1 2.273 0.000 . 1 . . . A 830 MET HE3 . 25870 1 993 . 1 1 91 91 MET CA C 13 57.977 0.000 . 1 . . . A 830 MET CA . 25870 1 994 . 1 1 91 91 MET CB C 13 31.995 0.000 . 1 . . . A 830 MET CB . 25870 1 995 . 1 1 91 91 MET CG C 13 32.631 0.000 . 1 . . . A 830 MET CG . 25870 1 996 . 1 1 91 91 MET CE C 13 17.479 0.000 . 1 . . . A 830 MET CE . 25870 1 997 . 1 1 91 91 MET N N 15 119.572 0.000 . 1 . . . A 830 MET N . 25870 1 998 . 1 1 92 92 ALA H H 1 7.836 0.000 . 1 . . . A 831 ALA H . 25870 1 999 . 1 1 92 92 ALA HA H 1 4.045 0.000 . 1 . . . A 831 ALA HA . 25870 1 1000 . 1 1 92 92 ALA HB1 H 1 1.375 0.000 . 1 . . . A 831 ALA HB1 . 25870 1 1001 . 1 1 92 92 ALA HB2 H 1 1.375 0.000 . 1 . . . A 831 ALA HB2 . 25870 1 1002 . 1 1 92 92 ALA HB3 H 1 1.375 0.000 . 1 . . . A 831 ALA HB3 . 25870 1 1003 . 1 1 92 92 ALA CA C 13 54.501 0.000 . 1 . . . A 831 ALA CA . 25870 1 1004 . 1 1 92 92 ALA CB C 13 18.067 0.000 . 1 . . . A 831 ALA CB . 25870 1 1005 . 1 1 92 92 ALA N N 15 121.059 0.000 . 1 . . . A 831 ALA N . 25870 1 1006 . 1 1 93 93 SER H H 1 7.714 0.000 . 1 . . . A 832 SER H . 25870 1 1007 . 1 1 93 93 SER HA H 1 4.141 0.000 . 1 . . . A 832 SER HA . 25870 1 1008 . 1 1 93 93 SER HB2 H 1 3.813 0.000 . 2 . . . A 832 SER HB2 . 25870 1 1009 . 1 1 93 93 SER HB3 H 1 3.736 0.000 . 2 . . . A 832 SER HB3 . 25870 1 1010 . 1 1 93 93 SER CA C 13 60.845 0.000 . 1 . . . A 832 SER CA . 25870 1 1011 . 1 1 93 93 SER CB C 13 62.613 0.000 . 1 . . . A 832 SER CB . 25870 1 1012 . 1 1 93 93 SER N N 15 114.256 0.000 . 1 . . . A 832 SER N . 25870 1 1013 . 1 1 94 94 PHE H H 1 7.740 0.000 . 1 . . . A 833 PHE H . 25870 1 1014 . 1 1 94 94 PHE HA H 1 3.823 0.000 . 1 . . . A 833 PHE HA . 25870 1 1015 . 1 1 94 94 PHE HB2 H 1 2.557 0.000 . 1 . . . A 833 PHE HB2 . 25870 1 1016 . 1 1 94 94 PHE HB3 H 1 2.557 0.000 . 1 . . . A 833 PHE HB3 . 25870 1 1017 . 1 1 94 94 PHE HD1 H 1 7.668 0.000 . 1 . . . A 833 PHE HD1 . 25870 1 1018 . 1 1 94 94 PHE HD2 H 1 7.668 0.000 . 1 . . . A 833 PHE HD2 . 25870 1 1019 . 1 1 94 94 PHE HE1 H 1 7.083 0.000 . 1 . . . A 833 PHE HE1 . 25870 1 1020 . 1 1 94 94 PHE HE2 H 1 7.082 0.000 . 1 . . . A 833 PHE HE2 . 25870 1 1021 . 1 1 94 94 PHE HZ H 1 7.459 0.000 . 1 . . . A 833 PHE HZ . 25870 1 1022 . 1 1 94 94 PHE CA C 13 58.627 0.000 . 1 . . . A 833 PHE CA . 25870 1 1023 . 1 1 94 94 PHE CB C 13 38.127 0.000 . 1 . . . A 833 PHE CB . 25870 1 1024 . 1 1 94 94 PHE CD1 C 13 132.065 0.000 . 1 . . . A 833 PHE CD1 . 25870 1 1025 . 1 1 94 94 PHE CD2 C 13 132.075 0.000 . 1 . . . A 833 PHE CD2 . 25870 1 1026 . 1 1 94 94 PHE CE1 C 13 130.145 0.000 . 1 . . . A 833 PHE CE1 . 25870 1 1027 . 1 1 94 94 PHE CE2 C 13 130.155 0.000 . 1 . . . A 833 PHE CE2 . 25870 1 1028 . 1 1 94 94 PHE CZ C 13 130.210 0.000 . 1 . . . A 833 PHE CZ . 25870 1 1029 . 1 1 94 94 PHE N N 15 121.847 0.000 . 1 . . . A 833 PHE N . 25870 1 1030 . 1 1 95 95 LYS H H 1 7.843 0.000 . 1 . . . A 834 LYS H . 25870 1 1031 . 1 1 95 95 LYS HA H 1 3.589 0.000 . 1 . . . A 834 LYS HA . 25870 1 1032 . 1 1 95 95 LYS HB2 H 1 1.798 0.000 . 2 . . . A 834 LYS HB2 . 25870 1 1033 . 1 1 95 95 LYS HB3 H 1 1.845 0.000 . 2 . . . A 834 LYS HB3 . 25870 1 1034 . 1 1 95 95 LYS HG2 H 1 1.464 0.000 . 1 . . . A 834 LYS HG2 . 25870 1 1035 . 1 1 95 95 LYS HG3 H 1 1.464 0.000 . 1 . . . A 834 LYS HG3 . 25870 1 1036 . 1 1 95 95 LYS HD2 H 1 1.743 0.000 . 2 . . . A 834 LYS HD2 . 25870 1 1037 . 1 1 95 95 LYS HD3 H 1 1.702 0.000 . 2 . . . A 834 LYS HD3 . 25870 1 1038 . 1 1 95 95 LYS HE2 H 1 2.996 0.000 . 2 . . . A 834 LYS HE2 . 25870 1 1039 . 1 1 95 95 LYS HE3 H 1 2.958 0.000 . 2 . . . A 834 LYS HE3 . 25870 1 1040 . 1 1 95 95 LYS CA C 13 59.384 0.000 . 1 . . . A 834 LYS CA . 25870 1 1041 . 1 1 95 95 LYS CB C 13 32.143 0.000 . 1 . . . A 834 LYS CB . 25870 1 1042 . 1 1 95 95 LYS CG C 13 25.314 0.000 . 1 . . . A 834 LYS CG . 25870 1 1043 . 1 1 95 95 LYS CD C 13 29.302 0.000 . 1 . . . A 834 LYS CD . 25870 1 1044 . 1 1 95 95 LYS CE C 13 42.036 0.000 . 1 . . . A 834 LYS CE . 25870 1 1045 . 1 1 95 95 LYS N N 15 118.759 0.000 . 1 . . . A 834 LYS N . 25870 1 1046 . 1 1 96 96 ILE H H 1 7.315 0.000 . 1 . . . A 835 ILE H . 25870 1 1047 . 1 1 96 96 ILE HA H 1 3.736 0.000 . 1 . . . A 835 ILE HA . 25870 1 1048 . 1 1 96 96 ILE HB H 1 1.855 0.000 . 1 . . . A 835 ILE HB . 25870 1 1049 . 1 1 96 96 ILE HG12 H 1 1.567 0.000 . 2 . . . A 835 ILE HG12 . 25870 1 1050 . 1 1 96 96 ILE HG13 H 1 1.150 0.000 . 2 . . . A 835 ILE HG13 . 25870 1 1051 . 1 1 96 96 ILE HG21 H 1 0.835 0.000 . 1 . . . A 835 ILE HG21 . 25870 1 1052 . 1 1 96 96 ILE HG22 H 1 0.835 0.000 . 1 . . . A 835 ILE HG22 . 25870 1 1053 . 1 1 96 96 ILE HG23 H 1 0.835 0.000 . 1 . . . A 835 ILE HG23 . 25870 1 1054 . 1 1 96 96 ILE HD11 H 1 0.792 0.000 . 1 . . . A 835 ILE HD11 . 25870 1 1055 . 1 1 96 96 ILE HD12 H 1 0.792 0.000 . 1 . . . A 835 ILE HD12 . 25870 1 1056 . 1 1 96 96 ILE HD13 H 1 0.792 0.000 . 1 . . . A 835 ILE HD13 . 25870 1 1057 . 1 1 96 96 ILE CA C 13 63.714 0.000 . 1 . . . A 835 ILE CA . 25870 1 1058 . 1 1 96 96 ILE CB C 13 37.825 0.000 . 1 . . . A 835 ILE CB . 25870 1 1059 . 1 1 96 96 ILE CG1 C 13 28.911 0.000 . 1 . . . A 835 ILE CG1 . 25870 1 1060 . 1 1 96 96 ILE CG2 C 13 17.120 0.000 . 1 . . . A 835 ILE CG2 . 25870 1 1061 . 1 1 96 96 ILE CD1 C 13 12.569 0.000 . 1 . . . A 835 ILE CD1 . 25870 1 1062 . 1 1 96 96 ILE N N 15 118.537 0.000 . 1 . . . A 835 ILE N . 25870 1 1063 . 1 1 97 97 LEU H H 1 7.625 0.000 . 1 . . . A 836 LEU H . 25870 1 1064 . 1 1 97 97 LEU HA H 1 3.955 0.000 . 1 . . . A 836 LEU HA . 25870 1 1065 . 1 1 97 97 LEU HB2 H 1 1.373 0.000 . 2 . . . A 836 LEU HB2 . 25870 1 1066 . 1 1 97 97 LEU HB3 H 1 1.719 0.000 . 2 . . . A 836 LEU HB3 . 25870 1 1067 . 1 1 97 97 LEU HG H 1 1.683 0.000 . 1 . . . A 836 LEU HG . 25870 1 1068 . 1 1 97 97 LEU HD11 H 1 0.747 0.000 . 2 . . . A 836 LEU HD11 . 25870 1 1069 . 1 1 97 97 LEU HD12 H 1 0.747 0.000 . 2 . . . A 836 LEU HD12 . 25870 1 1070 . 1 1 97 97 LEU HD13 H 1 0.747 0.000 . 2 . . . A 836 LEU HD13 . 25870 1 1071 . 1 1 97 97 LEU HD21 H 1 0.758 0.000 . 2 . . . A 836 LEU HD21 . 25870 1 1072 . 1 1 97 97 LEU HD22 H 1 0.758 0.000 . 2 . . . A 836 LEU HD22 . 25870 1 1073 . 1 1 97 97 LEU HD23 H 1 0.758 0.000 . 2 . . . A 836 LEU HD23 . 25870 1 1074 . 1 1 97 97 LEU CA C 13 57.074 0.000 . 1 . . . A 836 LEU CA . 25870 1 1075 . 1 1 97 97 LEU CB C 13 42.415 0.005 . 1 . . . A 836 LEU CB . 25870 1 1076 . 1 1 97 97 LEU CG C 13 26.721 0.000 . 1 . . . A 836 LEU CG . 25870 1 1077 . 1 1 97 97 LEU CD1 C 13 23.874 0.000 . 1 . . . A 836 LEU CD1 . 25870 1 1078 . 1 1 97 97 LEU CD2 C 13 24.746 0.000 . 1 . . . A 836 LEU CD2 . 25870 1 1079 . 1 1 97 97 LEU N N 15 121.201 0.000 . 1 . . . A 836 LEU N . 25870 1 1080 . 1 1 98 98 ALA H H 1 8.099 0.000 . 1 . . . A 837 ALA H . 25870 1 1081 . 1 1 98 98 ALA HA H 1 3.895 0.000 . 1 . . . A 837 ALA HA . 25870 1 1082 . 1 1 98 98 ALA HB1 H 1 1.115 0.000 . 1 . . . A 837 ALA HB1 . 25870 1 1083 . 1 1 98 98 ALA HB2 H 1 1.115 0.000 . 1 . . . A 837 ALA HB2 . 25870 1 1084 . 1 1 98 98 ALA HB3 H 1 1.115 0.000 . 1 . . . A 837 ALA HB3 . 25870 1 1085 . 1 1 98 98 ALA CA C 13 53.301 0.000 . 1 . . . A 837 ALA CA . 25870 1 1086 . 1 1 98 98 ALA CB C 13 19.338 0.000 . 1 . . . A 837 ALA CB . 25870 1 1087 . 1 1 98 98 ALA N N 15 119.184 0.000 . 1 . . . A 837 ALA N . 25870 1 1088 . 1 1 99 99 GLY H H 1 7.676 0.000 . 1 . . . A 838 GLY H . 25870 1 1089 . 1 1 99 99 GLY HA2 H 1 3.819 0.000 . 2 . . . A 838 GLY HA2 . 25870 1 1090 . 1 1 99 99 GLY HA3 H 1 3.708 0.000 . 2 . . . A 838 GLY HA3 . 25870 1 1091 . 1 1 99 99 GLY CA C 13 46.918 0.000 . 1 . . . A 838 GLY CA . 25870 1 1092 . 1 1 99 99 GLY N N 15 107.030 0.000 . 1 . . . A 838 GLY N . 25870 1 1093 . 1 1 100 100 ASP H H 1 8.704 0.000 . 1 . . . A 839 ASP H . 25870 1 1094 . 1 1 100 100 ASP HA H 1 4.477 0.000 . 1 . . . A 839 ASP HA . 25870 1 1095 . 1 1 100 100 ASP HB2 H 1 2.722 0.000 . 2 . . . A 839 ASP HB2 . 25870 1 1096 . 1 1 100 100 ASP HB3 H 1 2.670 0.000 . 2 . . . A 839 ASP HB3 . 25870 1 1097 . 1 1 100 100 ASP CA C 13 54.511 0.000 . 1 . . . A 839 ASP CA . 25870 1 1098 . 1 1 100 100 ASP CB C 13 40.181 0.000 . 1 . . . A 839 ASP CB . 25870 1 1099 . 1 1 100 100 ASP N N 15 122.291 0.000 . 1 . . . A 839 ASP N . 25870 1 1100 . 1 1 101 101 LYS H H 1 7.583 0.000 . 1 . . . A 840 LYS H . 25870 1 1101 . 1 1 101 101 LYS HA H 1 4.301 0.000 . 1 . . . A 840 LYS HA . 25870 1 1102 . 1 1 101 101 LYS HB2 H 1 1.881 0.000 . 2 . . . A 840 LYS HB2 . 25870 1 1103 . 1 1 101 101 LYS HB3 H 1 1.087 0.000 . 2 . . . A 840 LYS HB3 . 25870 1 1104 . 1 1 101 101 LYS HG2 H 1 1.352 0.000 . 1 . . . A 840 LYS HG2 . 25870 1 1105 . 1 1 101 101 LYS HG3 H 1 1.352 0.000 . 1 . . . A 840 LYS HG3 . 25870 1 1106 . 1 1 101 101 LYS HD2 H 1 1.611 0.000 . 2 . . . A 840 LYS HD2 . 25870 1 1107 . 1 1 101 101 LYS HD3 H 1 1.204 0.000 . 2 . . . A 840 LYS HD3 . 25870 1 1108 . 1 1 101 101 LYS HE2 H 1 2.768 0.000 . 2 . . . A 840 LYS HE2 . 25870 1 1109 . 1 1 101 101 LYS HE3 H 1 2.933 0.000 . 2 . . . A 840 LYS HE3 . 25870 1 1110 . 1 1 101 101 LYS CA C 13 55.780 0.000 . 1 . . . A 840 LYS CA . 25870 1 1111 . 1 1 101 101 LYS CB C 13 33.710 0.000 . 1 . . . A 840 LYS CB . 25870 1 1112 . 1 1 101 101 LYS CG C 13 23.567 0.000 . 1 . . . A 840 LYS CG . 25870 1 1113 . 1 1 101 101 LYS CD C 13 28.405 0.011 . 1 . . . A 840 LYS CD . 25870 1 1114 . 1 1 101 101 LYS CE C 13 40.625 0.000 . 1 . . . A 840 LYS CE . 25870 1 1115 . 1 1 101 101 LYS N N 15 117.582 0.000 . 1 . . . A 840 LYS N . 25870 1 1116 . 1 1 102 102 ASN H H 1 8.693 0.000 . 1 . . . A 841 ASN H . 25870 1 1117 . 1 1 102 102 ASN HA H 1 4.611 0.000 . 1 . . . A 841 ASN HA . 25870 1 1118 . 1 1 102 102 ASN HB2 H 1 2.958 0.000 . 2 . . . A 841 ASN HB2 . 25870 1 1119 . 1 1 102 102 ASN HB3 H 1 2.584 0.000 . 2 . . . A 841 ASN HB3 . 25870 1 1120 . 1 1 102 102 ASN HD21 H 1 7.810 0.000 . 2 . . . A 841 ASN HD21 . 25870 1 1121 . 1 1 102 102 ASN HD22 H 1 7.005 0.000 . 2 . . . A 841 ASN HD22 . 25870 1 1122 . 1 1 102 102 ASN CA C 13 53.466 0.000 . 1 . . . A 841 ASN CA . 25870 1 1123 . 1 1 102 102 ASN CB C 13 39.155 0.000 . 1 . . . A 841 ASN CB . 25870 1 1124 . 1 1 102 102 ASN N N 15 116.678 0.000 . 1 . . . A 841 ASN N . 25870 1 1125 . 1 1 102 102 ASN ND2 N 15 113.421 0.000 . 1 . . . A 841 ASN ND2 . 25870 1 1126 . 1 1 103 103 TYR H H 1 6.637 0.000 . 1 . . . A 842 TYR H . 25870 1 1127 . 1 1 103 103 TYR HA H 1 4.986 0.000 . 1 . . . A 842 TYR HA . 25870 1 1128 . 1 1 103 103 TYR HB2 H 1 1.639 0.000 . 2 . . . A 842 TYR HB2 . 25870 1 1129 . 1 1 103 103 TYR HB3 H 1 2.770 0.000 . 2 . . . A 842 TYR HB3 . 25870 1 1130 . 1 1 103 103 TYR HD1 H 1 6.240 0.000 . 1 . . . A 842 TYR HD1 . 25870 1 1131 . 1 1 103 103 TYR HD2 H 1 6.240 0.000 . 1 . . . A 842 TYR HD2 . 25870 1 1132 . 1 1 103 103 TYR HE1 H 1 6.646 0.000 . 1 . . . A 842 TYR HE1 . 25870 1 1133 . 1 1 103 103 TYR HE2 H 1 6.646 0.000 . 1 . . . A 842 TYR HE2 . 25870 1 1134 . 1 1 103 103 TYR CA C 13 54.918 0.000 . 1 . . . A 842 TYR CA . 25870 1 1135 . 1 1 103 103 TYR CB C 13 40.595 0.000 . 1 . . . A 842 TYR CB . 25870 1 1136 . 1 1 103 103 TYR CD1 C 13 133.394 0.000 . 1 . . . A 842 TYR CD1 . 25870 1 1137 . 1 1 103 103 TYR CD2 C 13 133.394 0.000 . 1 . . . A 842 TYR CD2 . 25870 1 1138 . 1 1 103 103 TYR CE1 C 13 118.074 0.000 . 1 . . . A 842 TYR CE1 . 25870 1 1139 . 1 1 103 103 TYR CE2 C 13 118.074 0.000 . 1 . . . A 842 TYR CE2 . 25870 1 1140 . 1 1 103 103 TYR N N 15 112.236 0.000 . 1 . . . A 842 TYR N . 25870 1 1141 . 1 1 104 104 ILE H H 1 8.630 0.000 . 1 . . . A 843 ILE H . 25870 1 1142 . 1 1 104 104 ILE HA H 1 4.792 0.000 . 1 . . . A 843 ILE HA . 25870 1 1143 . 1 1 104 104 ILE HB H 1 1.486 0.000 . 1 . . . A 843 ILE HB . 25870 1 1144 . 1 1 104 104 ILE HG12 H 1 1.039 0.000 . 2 . . . A 843 ILE HG12 . 25870 1 1145 . 1 1 104 104 ILE HG13 H 1 1.020 0.000 . 2 . . . A 843 ILE HG13 . 25870 1 1146 . 1 1 104 104 ILE HG21 H 1 0.777 0.000 . 1 . . . A 843 ILE HG21 . 25870 1 1147 . 1 1 104 104 ILE HG22 H 1 0.777 0.000 . 1 . . . A 843 ILE HG22 . 25870 1 1148 . 1 1 104 104 ILE HG23 H 1 0.777 0.000 . 1 . . . A 843 ILE HG23 . 25870 1 1149 . 1 1 104 104 ILE HD11 H 1 0.572 0.000 . 1 . . . A 843 ILE HD11 . 25870 1 1150 . 1 1 104 104 ILE HD12 H 1 0.572 0.000 . 1 . . . A 843 ILE HD12 . 25870 1 1151 . 1 1 104 104 ILE HD13 H 1 0.572 0.000 . 1 . . . A 843 ILE HD13 . 25870 1 1152 . 1 1 104 104 ILE CA C 13 58.957 0.000 . 1 . . . A 843 ILE CA . 25870 1 1153 . 1 1 104 104 ILE CB C 13 43.009 0.000 . 1 . . . A 843 ILE CB . 25870 1 1154 . 1 1 104 104 ILE CG1 C 13 28.341 0.000 . 1 . . . A 843 ILE CG1 . 25870 1 1155 . 1 1 104 104 ILE CG2 C 13 17.819 0.000 . 1 . . . A 843 ILE CG2 . 25870 1 1156 . 1 1 104 104 ILE CD1 C 13 14.957 0.000 . 1 . . . A 843 ILE CD1 . 25870 1 1157 . 1 1 104 104 ILE N N 15 115.475 0.000 . 1 . . . A 843 ILE N . 25870 1 1158 . 1 1 105 105 THR H H 1 9.330 0.000 . 1 . . . A 844 THR H . 25870 1 1159 . 1 1 105 105 THR HA H 1 5.370 0.000 . 1 . . . A 844 THR HA . 25870 1 1160 . 1 1 105 105 THR HB H 1 4.660 0.000 . 1 . . . A 844 THR HB . 25870 1 1161 . 1 1 105 105 THR HG21 H 1 1.234 0.000 . 1 . . . A 844 THR HG21 . 25870 1 1162 . 1 1 105 105 THR HG22 H 1 1.234 0.000 . 1 . . . A 844 THR HG22 . 25870 1 1163 . 1 1 105 105 THR HG23 H 1 1.234 0.000 . 1 . . . A 844 THR HG23 . 25870 1 1164 . 1 1 105 105 THR CA C 13 60.177 0.000 . 1 . . . A 844 THR CA . 25870 1 1165 . 1 1 105 105 THR CB C 13 71.088 0.000 . 1 . . . A 844 THR CB . 25870 1 1166 . 1 1 105 105 THR CG2 C 13 22.257 0.000 . 1 . . . A 844 THR CG2 . 25870 1 1167 . 1 1 105 105 THR N N 15 117.169 0.000 . 1 . . . A 844 THR N . 25870 1 1168 . 1 1 106 106 MET H H 1 8.556 0.000 . 1 . . . A 845 MET H . 25870 1 1169 . 1 1 106 106 MET HA H 1 3.824 0.000 . 1 . . . A 845 MET HA . 25870 1 1170 . 1 1 106 106 MET HB2 H 1 2.167 0.000 . 2 . . . A 845 MET HB2 . 25870 1 1171 . 1 1 106 106 MET HB3 H 1 2.033 0.000 . 2 . . . A 845 MET HB3 . 25870 1 1172 . 1 1 106 106 MET HG2 H 1 2.906 0.000 . 2 . . . A 845 MET HG2 . 25870 1 1173 . 1 1 106 106 MET HG3 H 1 2.502 0.000 . 2 . . . A 845 MET HG3 . 25870 1 1174 . 1 1 106 106 MET HE1 H 1 2.141 0.000 . 1 . . . A 845 MET HE1 . 25870 1 1175 . 1 1 106 106 MET HE2 H 1 2.141 0.000 . 1 . . . A 845 MET HE2 . 25870 1 1176 . 1 1 106 106 MET HE3 H 1 2.141 0.000 . 1 . . . A 845 MET HE3 . 25870 1 1177 . 1 1 106 106 MET CA C 13 60.321 0.000 . 1 . . . A 845 MET CA . 25870 1 1178 . 1 1 106 106 MET CB C 13 33.030 0.001 . 1 . . . A 845 MET CB . 25870 1 1179 . 1 1 106 106 MET CG C 13 32.902 0.000 . 1 . . . A 845 MET CG . 25870 1 1180 . 1 1 106 106 MET CE C 13 17.623 0.000 . 1 . . . A 845 MET CE . 25870 1 1181 . 1 1 106 106 MET N N 15 119.860 0.000 . 1 . . . A 845 MET N . 25870 1 1182 . 1 1 107 107 ASP H H 1 8.377 0.000 . 1 . . . A 846 ASP H . 25870 1 1183 . 1 1 107 107 ASP HA H 1 4.280 0.000 . 1 . . . A 846 ASP HA . 25870 1 1184 . 1 1 107 107 ASP HB2 H 1 2.551 0.000 . 1 . . . A 846 ASP HB2 . 25870 1 1185 . 1 1 107 107 ASP HB3 H 1 2.551 0.000 . 1 . . . A 846 ASP HB3 . 25870 1 1186 . 1 1 107 107 ASP CA C 13 57.404 0.000 . 1 . . . A 846 ASP CA . 25870 1 1187 . 1 1 107 107 ASP CB C 13 40.584 0.000 . 1 . . . A 846 ASP CB . 25870 1 1188 . 1 1 107 107 ASP N N 15 116.363 0.000 . 1 . . . A 846 ASP N . 25870 1 1189 . 1 1 108 108 GLU H H 1 7.855 0.000 . 1 . . . A 847 GLU H . 25870 1 1190 . 1 1 108 108 GLU HA H 1 3.854 0.000 . 1 . . . A 847 GLU HA . 25870 1 1191 . 1 1 108 108 GLU HB2 H 1 2.354 0.000 . 2 . . . A 847 GLU HB2 . 25870 1 1192 . 1 1 108 108 GLU HB3 H 1 1.766 0.000 . 2 . . . A 847 GLU HB3 . 25870 1 1193 . 1 1 108 108 GLU HG2 H 1 2.270 0.000 . 1 . . . A 847 GLU HG2 . 25870 1 1194 . 1 1 108 108 GLU HG3 H 1 2.270 0.000 . 1 . . . A 847 GLU HG3 . 25870 1 1195 . 1 1 108 108 GLU CA C 13 59.657 0.000 . 1 . . . A 847 GLU CA . 25870 1 1196 . 1 1 108 108 GLU CB C 13 29.660 0.031 . 1 . . . A 847 GLU CB . 25870 1 1197 . 1 1 108 108 GLU CG C 13 37.567 0.000 . 1 . . . A 847 GLU CG . 25870 1 1198 . 1 1 108 108 GLU N N 15 120.577 0.000 . 1 . . . A 847 GLU N . 25870 1 1199 . 1 1 109 109 LEU H H 1 7.849 0.000 . 1 . . . A 848 LEU H . 25870 1 1200 . 1 1 109 109 LEU HA H 1 3.822 0.000 . 1 . . . A 848 LEU HA . 25870 1 1201 . 1 1 109 109 LEU HB2 H 1 1.964 0.000 . 2 . . . A 848 LEU HB2 . 25870 1 1202 . 1 1 109 109 LEU HB3 H 1 1.179 0.000 . 2 . . . A 848 LEU HB3 . 25870 1 1203 . 1 1 109 109 LEU HG H 1 1.538 0.000 . 1 . . . A 848 LEU HG . 25870 1 1204 . 1 1 109 109 LEU HD11 H 1 0.695 0.000 . 2 . . . A 848 LEU HD11 . 25870 1 1205 . 1 1 109 109 LEU HD12 H 1 0.695 0.000 . 2 . . . A 848 LEU HD12 . 25870 1 1206 . 1 1 109 109 LEU HD13 H 1 0.695 0.000 . 2 . . . A 848 LEU HD13 . 25870 1 1207 . 1 1 109 109 LEU HD21 H 1 0.634 0.000 . 2 . . . A 848 LEU HD21 . 25870 1 1208 . 1 1 109 109 LEU HD22 H 1 0.634 0.000 . 2 . . . A 848 LEU HD22 . 25870 1 1209 . 1 1 109 109 LEU HD23 H 1 0.634 0.000 . 2 . . . A 848 LEU HD23 . 25870 1 1210 . 1 1 109 109 LEU CA C 13 58.725 0.000 . 1 . . . A 848 LEU CA . 25870 1 1211 . 1 1 109 109 LEU CB C 13 42.457 0.050 . 1 . . . A 848 LEU CB . 25870 1 1212 . 1 1 109 109 LEU CG C 13 27.312 0.000 . 1 . . . A 848 LEU CG . 25870 1 1213 . 1 1 109 109 LEU CD1 C 13 24.672 0.000 . 1 . . . A 848 LEU CD1 . 25870 1 1214 . 1 1 109 109 LEU CD2 C 13 27.610 0.000 . 1 . . . A 848 LEU CD2 . 25870 1 1215 . 1 1 109 109 LEU N N 15 118.714 0.000 . 1 . . . A 848 LEU N . 25870 1 1216 . 1 1 110 110 ARG H H 1 8.053 0.000 . 1 . . . A 849 ARG H . 25870 1 1217 . 1 1 110 110 ARG HA H 1 3.924 0.000 . 1 . . . A 849 ARG HA . 25870 1 1218 . 1 1 110 110 ARG HB2 H 1 1.819 0.000 . 2 . . . A 849 ARG HB2 . 25870 1 1219 . 1 1 110 110 ARG HB3 H 1 1.707 0.000 . 2 . . . A 849 ARG HB3 . 25870 1 1220 . 1 1 110 110 ARG HG2 H 1 1.464 0.000 . 1 . . . A 849 ARG HG2 . 25870 1 1221 . 1 1 110 110 ARG HG3 H 1 1.464 0.000 . 1 . . . A 849 ARG HG3 . 25870 1 1222 . 1 1 110 110 ARG HD2 H 1 3.048 0.000 . 1 . . . A 849 ARG HD2 . 25870 1 1223 . 1 1 110 110 ARG HD3 H 1 3.048 0.000 . 1 . . . A 849 ARG HD3 . 25870 1 1224 . 1 1 110 110 ARG CA C 13 58.595 0.000 . 1 . . . A 849 ARG CA . 25870 1 1225 . 1 1 110 110 ARG CB C 13 30.100 0.000 . 1 . . . A 849 ARG CB . 25870 1 1226 . 1 1 110 110 ARG CG C 13 29.915 0.000 . 1 . . . A 849 ARG CG . 25870 1 1227 . 1 1 110 110 ARG CD C 13 43.218 0.000 . 1 . . . A 849 ARG CD . 25870 1 1228 . 1 1 110 110 ARG N N 15 113.972 0.000 . 1 . . . A 849 ARG N . 25870 1 1229 . 1 1 111 111 ARG H H 1 7.743 0.000 . 1 . . . A 850 ARG H . 25870 1 1230 . 1 1 111 111 ARG HA H 1 4.193 0.000 . 1 . . . A 850 ARG HA . 25870 1 1231 . 1 1 111 111 ARG HB2 H 1 1.912 0.000 . 2 . . . A 850 ARG HB2 . 25870 1 1232 . 1 1 111 111 ARG HB3 H 1 1.952 0.000 . 2 . . . A 850 ARG HB3 . 25870 1 1233 . 1 1 111 111 ARG HG2 H 1 1.699 0.000 . 2 . . . A 850 ARG HG2 . 25870 1 1234 . 1 1 111 111 ARG HG3 H 1 1.523 0.000 . 2 . . . A 850 ARG HG3 . 25870 1 1235 . 1 1 111 111 ARG HD2 H 1 3.200 0.000 . 2 . . . A 850 ARG HD2 . 25870 1 1236 . 1 1 111 111 ARG HD3 H 1 3.163 0.000 . 2 . . . A 850 ARG HD3 . 25870 1 1237 . 1 1 111 111 ARG CA C 13 58.245 0.000 . 1 . . . A 850 ARG CA . 25870 1 1238 . 1 1 111 111 ARG CB C 13 31.120 0.000 . 1 . . . A 850 ARG CB . 25870 1 1239 . 1 1 111 111 ARG CG C 13 27.663 0.004 . 1 . . . A 850 ARG CG . 25870 1 1240 . 1 1 111 111 ARG CD C 13 43.480 0.005 . 1 . . . A 850 ARG CD . 25870 1 1241 . 1 1 111 111 ARG N N 15 118.178 0.000 . 1 . . . A 850 ARG N . 25870 1 1242 . 1 1 112 112 GLU H H 1 7.596 0.000 . 1 . . . A 851 GLU H . 25870 1 1243 . 1 1 112 112 GLU HA H 1 4.350 0.000 . 1 . . . A 851 GLU HA . 25870 1 1244 . 1 1 112 112 GLU HB2 H 1 2.144 0.000 . 2 . . . A 851 GLU HB2 . 25870 1 1245 . 1 1 112 112 GLU HB3 H 1 1.741 0.000 . 2 . . . A 851 GLU HB3 . 25870 1 1246 . 1 1 112 112 GLU HG2 H 1 2.406 0.000 . 2 . . . A 851 GLU HG2 . 25870 1 1247 . 1 1 112 112 GLU HG3 H 1 2.278 0.000 . 2 . . . A 851 GLU HG3 . 25870 1 1248 . 1 1 112 112 GLU CA C 13 56.886 0.000 . 1 . . . A 851 GLU CA . 25870 1 1249 . 1 1 112 112 GLU CB C 13 31.590 0.010 . 1 . . . A 851 GLU CB . 25870 1 1250 . 1 1 112 112 GLU CG C 13 35.300 0.000 . 1 . . . A 851 GLU CG . 25870 1 1251 . 1 1 112 112 GLU N N 15 115.518 0.000 . 1 . . . A 851 GLU N . 25870 1 1252 . 1 1 113 113 LEU H H 1 7.890 0.000 . 1 . . . A 852 LEU H . 25870 1 1253 . 1 1 113 113 LEU HA H 1 4.894 0.000 . 1 . . . A 852 LEU HA . 25870 1 1254 . 1 1 113 113 LEU HB2 H 1 1.742 0.000 . 2 . . . A 852 LEU HB2 . 25870 1 1255 . 1 1 113 113 LEU HB3 H 1 1.332 0.000 . 2 . . . A 852 LEU HB3 . 25870 1 1256 . 1 1 113 113 LEU HG H 1 1.677 0.000 . 1 . . . A 852 LEU HG . 25870 1 1257 . 1 1 113 113 LEU HD11 H 1 0.888 0.000 . 2 . . . A 852 LEU HD11 . 25870 1 1258 . 1 1 113 113 LEU HD12 H 1 0.888 0.000 . 2 . . . A 852 LEU HD12 . 25870 1 1259 . 1 1 113 113 LEU HD13 H 1 0.888 0.000 . 2 . . . A 852 LEU HD13 . 25870 1 1260 . 1 1 113 113 LEU HD21 H 1 0.847 0.000 . 2 . . . A 852 LEU HD21 . 25870 1 1261 . 1 1 113 113 LEU HD22 H 1 0.847 0.000 . 2 . . . A 852 LEU HD22 . 25870 1 1262 . 1 1 113 113 LEU HD23 H 1 0.847 0.000 . 2 . . . A 852 LEU HD23 . 25870 1 1263 . 1 1 113 113 LEU CA C 13 52.174 0.000 . 1 . . . A 852 LEU CA . 25870 1 1264 . 1 1 113 113 LEU CB C 13 42.469 0.008 . 1 . . . A 852 LEU CB . 25870 1 1265 . 1 1 113 113 LEU CG C 13 27.028 0.000 . 1 . . . A 852 LEU CG . 25870 1 1266 . 1 1 113 113 LEU CD1 C 13 22.956 0.000 . 1 . . . A 852 LEU CD1 . 25870 1 1267 . 1 1 113 113 LEU CD2 C 13 26.790 0.000 . 1 . . . A 852 LEU CD2 . 25870 1 1268 . 1 1 113 113 LEU N N 15 119.148 0.000 . 1 . . . A 852 LEU N . 25870 1 1269 . 1 1 114 114 PRO HA H 1 4.347 0.000 . 1 . . . A 853 PRO HA . 25870 1 1270 . 1 1 114 114 PRO HB2 H 1 2.304 0.000 . 2 . . . A 853 PRO HB2 . 25870 1 1271 . 1 1 114 114 PRO HB3 H 1 1.991 0.000 . 2 . . . A 853 PRO HB3 . 25870 1 1272 . 1 1 114 114 PRO HG2 H 1 1.832 0.000 . 1 . . . A 853 PRO HG2 . 25870 1 1273 . 1 1 114 114 PRO HG3 H 1 1.832 0.000 . 1 . . . A 853 PRO HG3 . 25870 1 1274 . 1 1 114 114 PRO HD2 H 1 3.673 0.000 . 2 . . . A 853 PRO HD2 . 25870 1 1275 . 1 1 114 114 PRO HD3 H 1 3.330 0.000 . 2 . . . A 853 PRO HD3 . 25870 1 1276 . 1 1 114 114 PRO CA C 13 65.119 0.000 . 1 . . . A 853 PRO CA . 25870 1 1277 . 1 1 114 114 PRO CB C 13 31.631 0.000 . 1 . . . A 853 PRO CB . 25870 1 1278 . 1 1 114 114 PRO CG C 13 27.113 0.000 . 1 . . . A 853 PRO CG . 25870 1 1279 . 1 1 114 114 PRO CD C 13 50.471 0.000 . 1 . . . A 853 PRO CD . 25870 1 1280 . 1 1 115 115 PRO HA H 1 4.270 0.000 . 1 . . . A 854 PRO HA . 25870 1 1281 . 1 1 115 115 PRO HB2 H 1 2.046 0.000 . 2 . . . A 854 PRO HB2 . 25870 1 1282 . 1 1 115 115 PRO HB3 H 1 2.447 0.000 . 2 . . . A 854 PRO HB3 . 25870 1 1283 . 1 1 115 115 PRO HG2 H 1 2.152 0.000 . 1 . . . A 854 PRO HG2 . 25870 1 1284 . 1 1 115 115 PRO HG3 H 1 2.152 0.000 . 1 . . . A 854 PRO HG3 . 25870 1 1285 . 1 1 115 115 PRO HD2 H 1 3.863 0.000 . 2 . . . A 854 PRO HD2 . 25870 1 1286 . 1 1 115 115 PRO HD3 H 1 3.798 0.000 . 2 . . . A 854 PRO HD3 . 25870 1 1287 . 1 1 115 115 PRO CA C 13 66.336 0.000 . 1 . . . A 854 PRO CA . 25870 1 1288 . 1 1 115 115 PRO CB C 13 32.256 0.013 . 1 . . . A 854 PRO CB . 25870 1 1289 . 1 1 115 115 PRO CG C 13 27.637 0.000 . 1 . . . A 854 PRO CG . 25870 1 1290 . 1 1 115 115 PRO CD C 13 50.279 0.016 . 1 . . . A 854 PRO CD . 25870 1 1291 . 1 1 116 116 ASP H H 1 8.801 0.000 . 1 . . . A 855 ASP H . 25870 1 1292 . 1 1 116 116 ASP HA H 1 4.349 0.000 . 1 . . . A 855 ASP HA . 25870 1 1293 . 1 1 116 116 ASP HB2 H 1 2.713 0.000 . 2 . . . A 855 ASP HB2 . 25870 1 1294 . 1 1 116 116 ASP HB3 H 1 2.585 0.000 . 2 . . . A 855 ASP HB3 . 25870 1 1295 . 1 1 116 116 ASP CA C 13 56.913 0.000 . 1 . . . A 855 ASP CA . 25870 1 1296 . 1 1 116 116 ASP CB C 13 39.244 0.000 . 1 . . . A 855 ASP CB . 25870 1 1297 . 1 1 116 116 ASP N N 15 114.865 0.000 . 1 . . . A 855 ASP N . 25870 1 1298 . 1 1 117 117 GLN H H 1 7.472 0.000 . 1 . . . A 856 GLN H . 25870 1 1299 . 1 1 117 117 GLN HA H 1 4.199 0.000 . 1 . . . A 856 GLN HA . 25870 1 1300 . 1 1 117 117 GLN HB2 H 1 2.124 0.000 . 2 . . . A 856 GLN HB2 . 25870 1 1301 . 1 1 117 117 GLN HB3 H 1 1.992 0.000 . 2 . . . A 856 GLN HB3 . 25870 1 1302 . 1 1 117 117 GLN HG2 H 1 2.423 0.000 . 2 . . . A 856 GLN HG2 . 25870 1 1303 . 1 1 117 117 GLN HG3 H 1 2.378 0.000 . 2 . . . A 856 GLN HG3 . 25870 1 1304 . 1 1 117 117 GLN HE21 H 1 7.202 0.000 . 2 . . . A 856 GLN HE21 . 25870 1 1305 . 1 1 117 117 GLN HE22 H 1 6.949 0.000 . 2 . . . A 856 GLN HE22 . 25870 1 1306 . 1 1 117 117 GLN CA C 13 58.317 0.000 . 1 . . . A 856 GLN CA . 25870 1 1307 . 1 1 117 117 GLN CB C 13 29.247 0.000 . 1 . . . A 856 GLN CB . 25870 1 1308 . 1 1 117 117 GLN CG C 13 33.778 0.000 . 1 . . . A 856 GLN CG . 25870 1 1309 . 1 1 117 117 GLN N N 15 121.465 0.000 . 1 . . . A 856 GLN N . 25870 1 1310 . 1 1 117 117 GLN NE2 N 15 112.963 0.000 . 1 . . . A 856 GLN NE2 . 25870 1 1311 . 1 1 118 118 ALA H H 1 8.882 0.000 . 1 . . . A 857 ALA H . 25870 1 1312 . 1 1 118 118 ALA HA H 1 3.799 0.000 . 1 . . . A 857 ALA HA . 25870 1 1313 . 1 1 118 118 ALA HB1 H 1 1.326 0.000 . 1 . . . A 857 ALA HB1 . 25870 1 1314 . 1 1 118 118 ALA HB2 H 1 1.326 0.000 . 1 . . . A 857 ALA HB2 . 25870 1 1315 . 1 1 118 118 ALA HB3 H 1 1.326 0.000 . 1 . . . A 857 ALA HB3 . 25870 1 1316 . 1 1 118 118 ALA CA C 13 56.303 0.000 . 1 . . . A 857 ALA CA . 25870 1 1317 . 1 1 118 118 ALA CB C 13 17.944 0.000 . 1 . . . A 857 ALA CB . 25870 1 1318 . 1 1 118 118 ALA N N 15 122.805 0.000 . 1 . . . A 857 ALA N . 25870 1 1319 . 1 1 119 119 GLU H H 1 8.155 0.000 . 1 . . . A 858 GLU H . 25870 1 1320 . 1 1 119 119 GLU HA H 1 4.024 0.000 . 1 . . . A 858 GLU HA . 25870 1 1321 . 1 1 119 119 GLU HB2 H 1 2.141 0.000 . 2 . . . A 858 GLU HB2 . 25870 1 1322 . 1 1 119 119 GLU HB3 H 1 2.000 0.000 . 2 . . . A 858 GLU HB3 . 25870 1 1323 . 1 1 119 119 GLU HG2 H 1 2.563 0.000 . 2 . . . A 858 GLU HG2 . 25870 1 1324 . 1 1 119 119 GLU HG3 H 1 2.431 0.000 . 2 . . . A 858 GLU HG3 . 25870 1 1325 . 1 1 119 119 GLU CA C 13 58.682 0.000 . 1 . . . A 858 GLU CA . 25870 1 1326 . 1 1 119 119 GLU CB C 13 28.639 0.000 . 1 . . . A 858 GLU CB . 25870 1 1327 . 1 1 119 119 GLU CG C 13 35.572 0.003 . 1 . . . A 858 GLU CG . 25870 1 1328 . 1 1 119 119 GLU N N 15 114.094 0.000 . 1 . . . A 858 GLU N . 25870 1 1329 . 1 1 120 120 TYR H H 1 7.708 0.000 . 1 . . . A 859 TYR H . 25870 1 1330 . 1 1 120 120 TYR HA H 1 4.084 0.000 . 1 . . . A 859 TYR HA . 25870 1 1331 . 1 1 120 120 TYR HB2 H 1 3.255 0.000 . 2 . . . A 859 TYR HB2 . 25870 1 1332 . 1 1 120 120 TYR HB3 H 1 3.404 0.000 . 2 . . . A 859 TYR HB3 . 25870 1 1333 . 1 1 120 120 TYR HD1 H 1 7.302 0.000 . 1 . . . A 859 TYR HD1 . 25870 1 1334 . 1 1 120 120 TYR HD2 H 1 7.302 0.000 . 1 . . . A 859 TYR HD2 . 25870 1 1335 . 1 1 120 120 TYR HE1 H 1 6.896 0.000 . 1 . . . A 859 TYR HE1 . 25870 1 1336 . 1 1 120 120 TYR HE2 H 1 6.896 0.000 . 1 . . . A 859 TYR HE2 . 25870 1 1337 . 1 1 120 120 TYR CA C 13 61.006 0.000 . 1 . . . A 859 TYR CA . 25870 1 1338 . 1 1 120 120 TYR CB C 13 38.687 0.000 . 1 . . . A 859 TYR CB . 25870 1 1339 . 1 1 120 120 TYR CD1 C 13 133.712 0.000 . 1 . . . A 859 TYR CD1 . 25870 1 1340 . 1 1 120 120 TYR CD2 C 13 133.712 0.000 . 1 . . . A 859 TYR CD2 . 25870 1 1341 . 1 1 120 120 TYR CE1 C 13 117.742 0.000 . 1 . . . A 859 TYR CE1 . 25870 1 1342 . 1 1 120 120 TYR CE2 C 13 117.742 0.000 . 1 . . . A 859 TYR CE2 . 25870 1 1343 . 1 1 120 120 TYR N N 15 120.665 0.000 . 1 . . . A 859 TYR N . 25870 1 1344 . 1 1 121 121 CYS H H 1 8.113 0.000 . 1 . . . A 860 CYS H . 25870 1 1345 . 1 1 121 121 CYS HA H 1 4.158 0.000 . 1 . . . A 860 CYS HA . 25870 1 1346 . 1 1 121 121 CYS HB2 H 1 3.075 0.000 . 2 . . . A 860 CYS HB2 . 25870 1 1347 . 1 1 121 121 CYS HB3 H 1 2.564 0.000 . 2 . . . A 860 CYS HB3 . 25870 1 1348 . 1 1 121 121 CYS CA C 13 64.254 0.000 . 1 . . . A 860 CYS CA . 25870 1 1349 . 1 1 121 121 CYS CB C 13 27.304 0.001 . 1 . . . A 860 CYS CB . 25870 1 1350 . 1 1 121 121 CYS N N 15 115.812 0.000 . 1 . . . A 860 CYS N . 25870 1 1351 . 1 1 122 122 ILE H H 1 8.453 0.000 . 1 . . . A 861 ILE H . 25870 1 1352 . 1 1 122 122 ILE HA H 1 3.339 0.000 . 1 . . . A 861 ILE HA . 25870 1 1353 . 1 1 122 122 ILE HB H 1 1.735 0.000 . 1 . . . A 861 ILE HB . 25870 1 1354 . 1 1 122 122 ILE HG12 H 1 0.738 0.000 . 2 . . . A 861 ILE HG12 . 25870 1 1355 . 1 1 122 122 ILE HG13 H 1 1.901 0.000 . 2 . . . A 861 ILE HG13 . 25870 1 1356 . 1 1 122 122 ILE HG21 H 1 0.901 0.000 . 1 . . . A 861 ILE HG21 . 25870 1 1357 . 1 1 122 122 ILE HG22 H 1 0.901 0.000 . 1 . . . A 861 ILE HG22 . 25870 1 1358 . 1 1 122 122 ILE HG23 H 1 0.901 0.000 . 1 . . . A 861 ILE HG23 . 25870 1 1359 . 1 1 122 122 ILE HD11 H 1 0.802 0.000 . 1 . . . A 861 ILE HD11 . 25870 1 1360 . 1 1 122 122 ILE HD12 H 1 0.802 0.000 . 1 . . . A 861 ILE HD12 . 25870 1 1361 . 1 1 122 122 ILE HD13 H 1 0.802 0.000 . 1 . . . A 861 ILE HD13 . 25870 1 1362 . 1 1 122 122 ILE CA C 13 65.643 0.000 . 1 . . . A 861 ILE CA . 25870 1 1363 . 1 1 122 122 ILE CB C 13 38.714 0.000 . 1 . . . A 861 ILE CB . 25870 1 1364 . 1 1 122 122 ILE CG1 C 13 31.945 0.004 . 1 . . . A 861 ILE CG1 . 25870 1 1365 . 1 1 122 122 ILE CG2 C 13 16.959 0.000 . 1 . . . A 861 ILE CG2 . 25870 1 1366 . 1 1 122 122 ILE CD1 C 13 13.900 0.000 . 1 . . . A 861 ILE CD1 . 25870 1 1367 . 1 1 122 122 ILE N N 15 120.078 0.000 . 1 . . . A 861 ILE N . 25870 1 1368 . 1 1 123 123 ALA H H 1 7.307 0.000 . 1 . . . A 862 ALA H . 25870 1 1369 . 1 1 123 123 ALA HA H 1 4.209 0.000 . 1 . . . A 862 ALA HA . 25870 1 1370 . 1 1 123 123 ALA HB1 H 1 1.403 0.000 . 1 . . . A 862 ALA HB1 . 25870 1 1371 . 1 1 123 123 ALA HB2 H 1 1.403 0.000 . 1 . . . A 862 ALA HB2 . 25870 1 1372 . 1 1 123 123 ALA HB3 H 1 1.403 0.000 . 1 . . . A 862 ALA HB3 . 25870 1 1373 . 1 1 123 123 ALA CA C 13 53.222 0.000 . 1 . . . A 862 ALA CA . 25870 1 1374 . 1 1 123 123 ALA CB C 13 19.002 0.000 . 1 . . . A 862 ALA CB . 25870 1 1375 . 1 1 123 123 ALA N N 15 116.691 0.000 . 1 . . . A 862 ALA N . 25870 1 1376 . 1 1 124 124 ARG H H 1 7.358 0.000 . 1 . . . A 863 ARG H . 25870 1 1377 . 1 1 124 124 ARG HA H 1 4.274 0.000 . 1 . . . A 863 ARG HA . 25870 1 1378 . 1 1 124 124 ARG HB2 H 1 1.307 0.000 . 2 . . . A 863 ARG HB2 . 25870 1 1379 . 1 1 124 124 ARG HB3 H 1 2.424 0.000 . 2 . . . A 863 ARG HB3 . 25870 1 1380 . 1 1 124 124 ARG HG2 H 1 1.201 0.000 . 2 . . . A 863 ARG HG2 . 25870 1 1381 . 1 1 124 124 ARG HG3 H 1 1.343 0.000 . 2 . . . A 863 ARG HG3 . 25870 1 1382 . 1 1 124 124 ARG HD2 H 1 2.748 0.000 . 2 . . . A 863 ARG HD2 . 25870 1 1383 . 1 1 124 124 ARG HD3 H 1 2.129 0.000 . 2 . . . A 863 ARG HD3 . 25870 1 1384 . 1 1 124 124 ARG CA C 13 56.051 0.000 . 1 . . . A 863 ARG CA . 25870 1 1385 . 1 1 124 124 ARG CB C 13 31.389 0.007 . 1 . . . A 863 ARG CB . 25870 1 1386 . 1 1 124 124 ARG CG C 13 28.372 0.007 . 1 . . . A 863 ARG CG . 25870 1 1387 . 1 1 124 124 ARG CD C 13 41.964 0.000 . 1 . . . A 863 ARG CD . 25870 1 1388 . 1 1 124 124 ARG N N 15 117.226 0.000 . 1 . . . A 863 ARG N . 25870 1 1389 . 1 1 125 125 MET H H 1 7.153 0.000 . 1 . . . A 864 MET H . 25870 1 1390 . 1 1 125 125 MET HA H 1 4.561 0.000 . 1 . . . A 864 MET HA . 25870 1 1391 . 1 1 125 125 MET HB2 H 1 1.653 0.000 . 2 . . . A 864 MET HB2 . 25870 1 1392 . 1 1 125 125 MET HB3 H 1 1.690 0.000 . 2 . . . A 864 MET HB3 . 25870 1 1393 . 1 1 125 125 MET HG2 H 1 2.326 0.000 . 2 . . . A 864 MET HG2 . 25870 1 1394 . 1 1 125 125 MET HG3 H 1 2.764 0.000 . 2 . . . A 864 MET HG3 . 25870 1 1395 . 1 1 125 125 MET HE1 H 1 1.709 0.000 . 1 . . . A 864 MET HE1 . 25870 1 1396 . 1 1 125 125 MET HE2 H 1 1.709 0.000 . 1 . . . A 864 MET HE2 . 25870 1 1397 . 1 1 125 125 MET HE3 H 1 1.709 0.000 . 1 . . . A 864 MET HE3 . 25870 1 1398 . 1 1 125 125 MET CA C 13 54.927 0.000 . 1 . . . A 864 MET CA . 25870 1 1399 . 1 1 125 125 MET CB C 13 37.418 0.004 . 1 . . . A 864 MET CB . 25870 1 1400 . 1 1 125 125 MET CG C 13 34.498 0.000 . 1 . . . A 864 MET CG . 25870 1 1401 . 1 1 125 125 MET CE C 13 15.429 0.000 . 1 . . . A 864 MET CE . 25870 1 1402 . 1 1 125 125 MET N N 15 117.583 0.000 . 1 . . . A 864 MET N . 25870 1 1403 . 1 1 126 126 ALA H H 1 8.557 0.000 . 1 . . . A 865 ALA H . 25870 1 1404 . 1 1 126 126 ALA HA H 1 3.866 0.000 . 1 . . . A 865 ALA HA . 25870 1 1405 . 1 1 126 126 ALA HB1 H 1 1.272 0.000 . 1 . . . A 865 ALA HB1 . 25870 1 1406 . 1 1 126 126 ALA HB2 H 1 1.272 0.000 . 1 . . . A 865 ALA HB2 . 25870 1 1407 . 1 1 126 126 ALA HB3 H 1 1.272 0.000 . 1 . . . A 865 ALA HB3 . 25870 1 1408 . 1 1 126 126 ALA CA C 13 49.194 0.000 . 1 . . . A 865 ALA CA . 25870 1 1409 . 1 1 126 126 ALA CB C 13 18.647 0.000 . 1 . . . A 865 ALA CB . 25870 1 1410 . 1 1 126 126 ALA N N 15 124.643 0.000 . 1 . . . A 865 ALA N . 25870 1 1411 . 1 1 127 127 PRO HA H 1 4.496 0.000 . 1 . . . A 866 PRO HA . 25870 1 1412 . 1 1 127 127 PRO HB2 H 1 1.665 0.000 . 2 . . . A 866 PRO HB2 . 25870 1 1413 . 1 1 127 127 PRO HB3 H 1 2.321 0.000 . 2 . . . A 866 PRO HB3 . 25870 1 1414 . 1 1 127 127 PRO HG2 H 1 2.008 0.000 . 2 . . . A 866 PRO HG2 . 25870 1 1415 . 1 1 127 127 PRO HG3 H 1 1.918 0.000 . 2 . . . A 866 PRO HG3 . 25870 1 1416 . 1 1 127 127 PRO HD2 H 1 3.518 0.000 . 2 . . . A 866 PRO HD2 . 25870 1 1417 . 1 1 127 127 PRO HD3 H 1 3.433 0.000 . 2 . . . A 866 PRO HD3 . 25870 1 1418 . 1 1 127 127 PRO CA C 13 62.724 0.000 . 1 . . . A 866 PRO CA . 25870 1 1419 . 1 1 127 127 PRO CB C 13 31.980 0.000 . 1 . . . A 866 PRO CB . 25870 1 1420 . 1 1 127 127 PRO CG C 13 27.615 0.000 . 1 . . . A 866 PRO CG . 25870 1 1421 . 1 1 127 127 PRO CD C 13 50.251 0.000 . 1 . . . A 866 PRO CD . 25870 1 1422 . 1 1 128 128 TYR H H 1 8.128 0.000 . 1 . . . A 867 TYR H . 25870 1 1423 . 1 1 128 128 TYR HA H 1 4.728 0.000 . 1 . . . A 867 TYR HA . 25870 1 1424 . 1 1 128 128 TYR HB2 H 1 2.467 0.000 . 2 . . . A 867 TYR HB2 . 25870 1 1425 . 1 1 128 128 TYR HB3 H 1 2.339 0.000 . 2 . . . A 867 TYR HB3 . 25870 1 1426 . 1 1 128 128 TYR HD1 H 1 6.781 0.000 . 1 . . . A 867 TYR HD1 . 25870 1 1427 . 1 1 128 128 TYR HD2 H 1 6.781 0.000 . 1 . . . A 867 TYR HD2 . 25870 1 1428 . 1 1 128 128 TYR HE1 H 1 6.752 0.000 . 1 . . . A 867 TYR HE1 . 25870 1 1429 . 1 1 128 128 TYR HE2 H 1 6.752 0.000 . 1 . . . A 867 TYR HE2 . 25870 1 1430 . 1 1 128 128 TYR CA C 13 57.096 0.000 . 1 . . . A 867 TYR CA . 25870 1 1431 . 1 1 128 128 TYR CB C 13 39.175 0.007 . 1 . . . A 867 TYR CB . 25870 1 1432 . 1 1 128 128 TYR CD1 C 13 133.194 0.000 . 1 . . . A 867 TYR CD1 . 25870 1 1433 . 1 1 128 128 TYR CD2 C 13 133.194 0.000 . 1 . . . A 867 TYR CD2 . 25870 1 1434 . 1 1 128 128 TYR CE1 C 13 118.625 0.000 . 1 . . . A 867 TYR CE1 . 25870 1 1435 . 1 1 128 128 TYR CE2 C 13 118.625 0.000 . 1 . . . A 867 TYR CE2 . 25870 1 1436 . 1 1 128 128 TYR N N 15 122.461 0.000 . 1 . . . A 867 TYR N . 25870 1 1437 . 1 1 129 129 THR HA H 1 4.351 0.000 . 1 . . . A 868 THR HA . 25870 1 1438 . 1 1 129 129 THR HB H 1 4.330 0.000 . 1 . . . A 868 THR HB . 25870 1 1439 . 1 1 129 129 THR HG21 H 1 0.925 0.000 . 1 . . . A 868 THR HG21 . 25870 1 1440 . 1 1 129 129 THR HG22 H 1 0.925 0.000 . 1 . . . A 868 THR HG22 . 25870 1 1441 . 1 1 129 129 THR HG23 H 1 0.925 0.000 . 1 . . . A 868 THR HG23 . 25870 1 1442 . 1 1 129 129 THR CA C 13 60.271 0.000 . 1 . . . A 868 THR CA . 25870 1 1443 . 1 1 129 129 THR CB C 13 68.737 0.000 . 1 . . . A 868 THR CB . 25870 1 1444 . 1 1 129 129 THR CG2 C 13 20.612 0.000 . 1 . . . A 868 THR CG2 . 25870 1 1445 . 1 1 130 130 GLY HA2 H 1 4.056 0.000 . 2 . . . A 869 GLY HA2 . 25870 1 1446 . 1 1 130 130 GLY HA3 H 1 3.585 0.000 . 2 . . . A 869 GLY HA3 . 25870 1 1447 . 1 1 130 130 GLY CA C 13 44.914 0.000 . 1 . . . A 869 GLY CA . 25870 1 1448 . 1 1 131 131 PRO HA H 1 4.329 0.000 . 1 . . . A 870 PRO HA . 25870 1 1449 . 1 1 131 131 PRO HB2 H 1 1.991 0.000 . 2 . . . A 870 PRO HB2 . 25870 1 1450 . 1 1 131 131 PRO HB3 H 1 2.303 0.000 . 2 . . . A 870 PRO HB3 . 25870 1 1451 . 1 1 131 131 PRO HG2 H 1 2.051 0.000 . 1 . . . A 870 PRO HG2 . 25870 1 1452 . 1 1 131 131 PRO HG3 H 1 2.051 0.000 . 1 . . . A 870 PRO HG3 . 25870 1 1453 . 1 1 131 131 PRO HD2 H 1 3.640 0.000 . 2 . . . A 870 PRO HD2 . 25870 1 1454 . 1 1 131 131 PRO HD3 H 1 3.613 0.000 . 2 . . . A 870 PRO HD3 . 25870 1 1455 . 1 1 131 131 PRO CA C 13 64.697 0.000 . 1 . . . A 870 PRO CA . 25870 1 1456 . 1 1 131 131 PRO CB C 13 31.579 0.000 . 1 . . . A 870 PRO CB . 25870 1 1457 . 1 1 131 131 PRO CG C 13 27.339 0.000 . 1 . . . A 870 PRO CG . 25870 1 1458 . 1 1 131 131 PRO CD C 13 49.657 0.000 . 1 . . . A 870 PRO CD . 25870 1 1459 . 1 1 132 132 ASP H H 1 9.267 0.000 . 1 . . . A 871 ASP H . 25870 1 1460 . 1 1 132 132 ASP HA H 1 4.604 0.000 . 1 . . . A 871 ASP HA . 25870 1 1461 . 1 1 132 132 ASP HB2 H 1 3.064 0.000 . 2 . . . A 871 ASP HB2 . 25870 1 1462 . 1 1 132 132 ASP HB3 H 1 2.714 0.000 . 2 . . . A 871 ASP HB3 . 25870 1 1463 . 1 1 132 132 ASP CA C 13 52.749 0.000 . 1 . . . A 871 ASP CA . 25870 1 1464 . 1 1 132 132 ASP CB C 13 38.929 0.030 . 1 . . . A 871 ASP CB . 25870 1 1465 . 1 1 132 132 ASP N N 15 116.207 0.000 . 1 . . . A 871 ASP N . 25870 1 1466 . 1 1 133 133 SER H H 1 7.487 0.000 . 1 . . . A 872 SER H . 25870 1 1467 . 1 1 133 133 SER HA H 1 3.497 0.000 . 1 . . . A 872 SER HA . 25870 1 1468 . 1 1 133 133 SER HB2 H 1 3.718 0.000 . 2 . . . A 872 SER HB2 . 25870 1 1469 . 1 1 133 133 SER HB3 H 1 3.654 0.000 . 2 . . . A 872 SER HB3 . 25870 1 1470 . 1 1 133 133 SER CA C 13 59.065 0.000 . 1 . . . A 872 SER CA . 25870 1 1471 . 1 1 133 133 SER CB C 13 63.125 0.000 . 1 . . . A 872 SER CB . 25870 1 1472 . 1 1 133 133 SER N N 15 112.349 0.000 . 1 . . . A 872 SER N . 25870 1 1473 . 1 1 134 134 VAL H H 1 6.411 0.000 . 1 . . . A 873 VAL H . 25870 1 1474 . 1 1 134 134 VAL HA H 1 4.729 0.000 . 1 . . . A 873 VAL HA . 25870 1 1475 . 1 1 134 134 VAL HB H 1 2.236 0.000 . 1 . . . A 873 VAL HB . 25870 1 1476 . 1 1 134 134 VAL HG11 H 1 0.927 0.000 . 2 . . . A 873 VAL HG11 . 25870 1 1477 . 1 1 134 134 VAL HG12 H 1 0.927 0.000 . 2 . . . A 873 VAL HG12 . 25870 1 1478 . 1 1 134 134 VAL HG13 H 1 0.927 0.000 . 2 . . . A 873 VAL HG13 . 25870 1 1479 . 1 1 134 134 VAL HG21 H 1 0.561 0.000 . 2 . . . A 873 VAL HG21 . 25870 1 1480 . 1 1 134 134 VAL HG22 H 1 0.561 0.000 . 2 . . . A 873 VAL HG22 . 25870 1 1481 . 1 1 134 134 VAL HG23 H 1 0.561 0.000 . 2 . . . A 873 VAL HG23 . 25870 1 1482 . 1 1 134 134 VAL CA C 13 58.044 0.000 . 1 . . . A 873 VAL CA . 25870 1 1483 . 1 1 134 134 VAL CB C 13 32.911 0.000 . 1 . . . A 873 VAL CB . 25870 1 1484 . 1 1 134 134 VAL CG1 C 13 21.651 0.000 . 1 . . . A 873 VAL CG1 . 25870 1 1485 . 1 1 134 134 VAL CG2 C 13 18.287 0.000 . 1 . . . A 873 VAL CG2 . 25870 1 1486 . 1 1 134 134 VAL N N 15 113.567 0.000 . 1 . . . A 873 VAL N . 25870 1 1487 . 1 1 135 135 PRO HA H 1 4.296 0.000 . 1 . . . A 874 PRO HA . 25870 1 1488 . 1 1 135 135 PRO HB2 H 1 2.299 0.000 . 2 . . . A 874 PRO HB2 . 25870 1 1489 . 1 1 135 135 PRO HB3 H 1 1.829 0.000 . 2 . . . A 874 PRO HB3 . 25870 1 1490 . 1 1 135 135 PRO HG2 H 1 1.917 0.000 . 1 . . . A 874 PRO HG2 . 25870 1 1491 . 1 1 135 135 PRO HG3 H 1 1.918 0.000 . 1 . . . A 874 PRO HG3 . 25870 1 1492 . 1 1 135 135 PRO HD2 H 1 3.572 0.000 . 2 . . . A 874 PRO HD2 . 25870 1 1493 . 1 1 135 135 PRO HD3 H 1 3.794 0.000 . 2 . . . A 874 PRO HD3 . 25870 1 1494 . 1 1 135 135 PRO CA C 13 64.335 0.000 . 1 . . . A 874 PRO CA . 25870 1 1495 . 1 1 135 135 PRO CB C 13 31.515 0.000 . 1 . . . A 874 PRO CB . 25870 1 1496 . 1 1 135 135 PRO CG C 13 27.842 0.000 . 1 . . . A 874 PRO CG . 25870 1 1497 . 1 1 135 135 PRO CD C 13 50.508 0.000 . 1 . . . A 874 PRO CD . 25870 1 1498 . 1 1 136 136 GLY H H 1 8.800 0.000 . 1 . . . A 875 GLY H . 25870 1 1499 . 1 1 136 136 GLY HA2 H 1 3.703 0.000 . 2 . . . A 875 GLY HA2 . 25870 1 1500 . 1 1 136 136 GLY HA3 H 1 4.370 0.000 . 2 . . . A 875 GLY HA3 . 25870 1 1501 . 1 1 136 136 GLY CA C 13 45.557 0.000 . 1 . . . A 875 GLY CA . 25870 1 1502 . 1 1 136 136 GLY N N 15 112.118 0.000 . 1 . . . A 875 GLY N . 25870 1 1503 . 1 1 137 137 ALA H H 1 7.762 0.000 . 1 . . . A 876 ALA H . 25870 1 1504 . 1 1 137 137 ALA HA H 1 4.100 0.000 . 1 . . . A 876 ALA HA . 25870 1 1505 . 1 1 137 137 ALA HB1 H 1 1.107 0.000 . 1 . . . A 876 ALA HB1 . 25870 1 1506 . 1 1 137 137 ALA HB2 H 1 1.107 0.000 . 1 . . . A 876 ALA HB2 . 25870 1 1507 . 1 1 137 137 ALA HB3 H 1 1.107 0.000 . 1 . . . A 876 ALA HB3 . 25870 1 1508 . 1 1 137 137 ALA CA C 13 53.073 0.000 . 1 . . . A 876 ALA CA . 25870 1 1509 . 1 1 137 137 ALA CB C 13 20.508 0.000 . 1 . . . A 876 ALA CB . 25870 1 1510 . 1 1 137 137 ALA N N 15 120.262 0.000 . 1 . . . A 876 ALA N . 25870 1 1511 . 1 1 138 138 LEU H H 1 9.595 0.000 . 1 . . . A 877 LEU H . 25870 1 1512 . 1 1 138 138 LEU HA H 1 4.776 0.000 . 1 . . . A 877 LEU HA . 25870 1 1513 . 1 1 138 138 LEU HB2 H 1 1.817 0.000 . 2 . . . A 877 LEU HB2 . 25870 1 1514 . 1 1 138 138 LEU HB3 H 1 1.142 0.000 . 2 . . . A 877 LEU HB3 . 25870 1 1515 . 1 1 138 138 LEU HG H 1 1.784 0.000 . 1 . . . A 877 LEU HG . 25870 1 1516 . 1 1 138 138 LEU HD11 H 1 0.779 0.000 . 2 . . . A 877 LEU HD11 . 25870 1 1517 . 1 1 138 138 LEU HD12 H 1 0.779 0.000 . 2 . . . A 877 LEU HD12 . 25870 1 1518 . 1 1 138 138 LEU HD13 H 1 0.779 0.000 . 2 . . . A 877 LEU HD13 . 25870 1 1519 . 1 1 138 138 LEU HD21 H 1 0.637 0.000 . 2 . . . A 877 LEU HD21 . 25870 1 1520 . 1 1 138 138 LEU HD22 H 1 0.637 0.000 . 2 . . . A 877 LEU HD22 . 25870 1 1521 . 1 1 138 138 LEU HD23 H 1 0.637 0.000 . 2 . . . A 877 LEU HD23 . 25870 1 1522 . 1 1 138 138 LEU CA C 13 54.269 0.000 . 1 . . . A 877 LEU CA . 25870 1 1523 . 1 1 138 138 LEU CB C 13 44.799 0.004 . 1 . . . A 877 LEU CB . 25870 1 1524 . 1 1 138 138 LEU CG C 13 26.226 0.000 . 1 . . . A 877 LEU CG . 25870 1 1525 . 1 1 138 138 LEU CD1 C 13 27.897 0.000 . 1 . . . A 877 LEU CD1 . 25870 1 1526 . 1 1 138 138 LEU CD2 C 13 22.697 0.000 . 1 . . . A 877 LEU CD2 . 25870 1 1527 . 1 1 138 138 LEU N N 15 125.695 0.000 . 1 . . . A 877 LEU N . 25870 1 1528 . 1 1 139 139 ASP H H 1 9.031 0.000 . 1 . . . A 878 ASP H . 25870 1 1529 . 1 1 139 139 ASP HA H 1 4.879 0.000 . 1 . . . A 878 ASP HA . 25870 1 1530 . 1 1 139 139 ASP HB2 H 1 2.943 0.000 . 2 . . . A 878 ASP HB2 . 25870 1 1531 . 1 1 139 139 ASP HB3 H 1 2.410 0.000 . 2 . . . A 878 ASP HB3 . 25870 1 1532 . 1 1 139 139 ASP CA C 13 51.997 0.000 . 1 . . . A 878 ASP CA . 25870 1 1533 . 1 1 139 139 ASP CB C 13 40.781 0.000 . 1 . . . A 878 ASP CB . 25870 1 1534 . 1 1 139 139 ASP N N 15 119.823 0.000 . 1 . . . A 878 ASP N . 25870 1 1535 . 1 1 140 140 TYR H H 1 7.456 0.000 . 1 . . . A 879 TYR H . 25870 1 1536 . 1 1 140 140 TYR HA H 1 4.591 0.000 . 1 . . . A 879 TYR HA . 25870 1 1537 . 1 1 140 140 TYR HB2 H 1 2.349 0.000 . 2 . . . A 879 TYR HB2 . 25870 1 1538 . 1 1 140 140 TYR HB3 H 1 2.960 0.000 . 2 . . . A 879 TYR HB3 . 25870 1 1539 . 1 1 140 140 TYR HD1 H 1 6.865 0.000 . 1 . . . A 879 TYR HD1 . 25870 1 1540 . 1 1 140 140 TYR HD2 H 1 6.865 0.000 . 1 . . . A 879 TYR HD2 . 25870 1 1541 . 1 1 140 140 TYR HE1 H 1 6.603 0.000 . 1 . . . A 879 TYR HE1 . 25870 1 1542 . 1 1 140 140 TYR HE2 H 1 6.603 0.000 . 1 . . . A 879 TYR HE2 . 25870 1 1543 . 1 1 140 140 TYR CA C 13 59.396 0.000 . 1 . . . A 879 TYR CA . 25870 1 1544 . 1 1 140 140 TYR CB C 13 37.321 0.000 . 1 . . . A 879 TYR CB . 25870 1 1545 . 1 1 140 140 TYR CD1 C 13 132.847 0.000 . 1 . . . A 879 TYR CD1 . 25870 1 1546 . 1 1 140 140 TYR CD2 C 13 132.847 0.000 . 1 . . . A 879 TYR CD2 . 25870 1 1547 . 1 1 140 140 TYR CE1 C 13 118.303 0.000 . 1 . . . A 879 TYR CE1 . 25870 1 1548 . 1 1 140 140 TYR CE2 C 13 118.303 0.000 . 1 . . . A 879 TYR CE2 . 25870 1 1549 . 1 1 140 140 TYR N N 15 126.556 0.000 . 1 . . . A 879 TYR N . 25870 1 1550 . 1 1 141 141 MET H H 1 7.627 0.000 . 1 . . . A 880 MET H . 25870 1 1551 . 1 1 141 141 MET HA H 1 4.605 0.000 . 1 . . . A 880 MET HA . 25870 1 1552 . 1 1 141 141 MET HB2 H 1 2.056 0.000 . 2 . . . A 880 MET HB2 . 25870 1 1553 . 1 1 141 141 MET HB3 H 1 2.155 0.000 . 2 . . . A 880 MET HB3 . 25870 1 1554 . 1 1 141 141 MET HG2 H 1 2.443 0.000 . 2 . . . A 880 MET HG2 . 25870 1 1555 . 1 1 141 141 MET HG3 H 1 2.107 0.000 . 2 . . . A 880 MET HG3 . 25870 1 1556 . 1 1 141 141 MET HE1 H 1 2.091 0.000 . 1 . . . A 880 MET HE1 . 25870 1 1557 . 1 1 141 141 MET HE2 H 1 2.091 0.000 . 1 . . . A 880 MET HE2 . 25870 1 1558 . 1 1 141 141 MET HE3 H 1 2.091 0.000 . 1 . . . A 880 MET HE3 . 25870 1 1559 . 1 1 141 141 MET CA C 13 56.044 0.000 . 1 . . . A 880 MET CA . 25870 1 1560 . 1 1 141 141 MET CB C 13 30.101 0.000 . 1 . . . A 880 MET CB . 25870 1 1561 . 1 1 141 141 MET CG C 13 32.222 0.000 . 1 . . . A 880 MET CG . 25870 1 1562 . 1 1 141 141 MET CE C 13 16.237 0.000 . 1 . . . A 880 MET CE . 25870 1 1563 . 1 1 141 141 MET N N 15 119.958 0.000 . 1 . . . A 880 MET N . 25870 1 1564 . 1 1 142 142 SER H H 1 7.726 0.000 . 1 . . . A 881 SER H . 25870 1 1565 . 1 1 142 142 SER HA H 1 4.471 0.000 . 1 . . . A 881 SER HA . 25870 1 1566 . 1 1 142 142 SER HB2 H 1 3.842 0.000 . 2 . . . A 881 SER HB2 . 25870 1 1567 . 1 1 142 142 SER HB3 H 1 4.162 0.000 . 2 . . . A 881 SER HB3 . 25870 1 1568 . 1 1 142 142 SER CA C 13 58.917 0.000 . 1 . . . A 881 SER CA . 25870 1 1569 . 1 1 142 142 SER CB C 13 64.447 0.000 . 1 . . . A 881 SER CB . 25870 1 1570 . 1 1 142 142 SER N N 15 114.328 0.000 . 1 . . . A 881 SER N . 25870 1 1571 . 1 1 143 143 PHE H H 1 7.385 0.000 . 1 . . . A 882 PHE H . 25870 1 1572 . 1 1 143 143 PHE HA H 1 4.722 0.000 . 1 . . . A 882 PHE HA . 25870 1 1573 . 1 1 143 143 PHE HB2 H 1 3.150 0.000 . 2 . . . A 882 PHE HB2 . 25870 1 1574 . 1 1 143 143 PHE HB3 H 1 3.274 0.000 . 2 . . . A 882 PHE HB3 . 25870 1 1575 . 1 1 143 143 PHE HD1 H 1 7.384 0.000 . 1 . . . A 882 PHE HD1 . 25870 1 1576 . 1 1 143 143 PHE HD2 H 1 7.384 0.000 . 1 . . . A 882 PHE HD2 . 25870 1 1577 . 1 1 143 143 PHE HE1 H 1 6.708 0.000 . 1 . . . A 882 PHE HE1 . 25870 1 1578 . 1 1 143 143 PHE HE2 H 1 6.708 0.000 . 1 . . . A 882 PHE HE2 . 25870 1 1579 . 1 1 143 143 PHE HZ H 1 6.883 0.000 . 1 . . . A 882 PHE HZ . 25870 1 1580 . 1 1 143 143 PHE CA C 13 59.231 0.000 . 1 . . . A 882 PHE CA . 25870 1 1581 . 1 1 143 143 PHE CB C 13 40.285 0.000 . 1 . . . A 882 PHE CB . 25870 1 1582 . 1 1 143 143 PHE CD1 C 13 131.683 0.000 . 1 . . . A 882 PHE CD1 . 25870 1 1583 . 1 1 143 143 PHE CD2 C 13 131.683 0.000 . 1 . . . A 882 PHE CD2 . 25870 1 1584 . 1 1 143 143 PHE CE1 C 13 129.738 0.000 . 1 . . . A 882 PHE CE1 . 25870 1 1585 . 1 1 143 143 PHE CE2 C 13 129.738 0.000 . 1 . . . A 882 PHE CE2 . 25870 1 1586 . 1 1 143 143 PHE CZ C 13 131.224 0.000 . 1 . . . A 882 PHE CZ . 25870 1 1587 . 1 1 143 143 PHE N N 15 122.735 0.000 . 1 . . . A 882 PHE N . 25870 1 1588 . 1 1 144 144 SER H H 1 7.472 0.000 . 1 . . . A 883 SER H . 25870 1 1589 . 1 1 144 144 SER HA H 1 4.299 0.000 . 1 . . . A 883 SER HA . 25870 1 1590 . 1 1 144 144 SER HB2 H 1 3.957 0.000 . 2 . . . A 883 SER HB2 . 25870 1 1591 . 1 1 144 144 SER HB3 H 1 3.842 0.000 . 2 . . . A 883 SER HB3 . 25870 1 1592 . 1 1 144 144 SER CA C 13 57.280 0.000 . 1 . . . A 883 SER CA . 25870 1 1593 . 1 1 144 144 SER CB C 13 64.601 0.002 . 1 . . . A 883 SER CB . 25870 1 1594 . 1 1 144 144 SER N N 15 120.156 0.000 . 1 . . . A 883 SER N . 25870 1 1595 . 1 1 145 145 THR H H 1 7.996 0.000 . 1 . . . A 884 THR H . 25870 1 1596 . 1 1 145 145 THR HA H 1 3.966 0.000 . 1 . . . A 884 THR HA . 25870 1 1597 . 1 1 145 145 THR HB H 1 4.314 0.000 . 1 . . . A 884 THR HB . 25870 1 1598 . 1 1 145 145 THR HG21 H 1 1.272 0.000 . 1 . . . A 884 THR HG21 . 25870 1 1599 . 1 1 145 145 THR HG22 H 1 1.272 0.000 . 1 . . . A 884 THR HG22 . 25870 1 1600 . 1 1 145 145 THR HG23 H 1 1.272 0.000 . 1 . . . A 884 THR HG23 . 25870 1 1601 . 1 1 145 145 THR CA C 13 63.465 0.000 . 1 . . . A 884 THR CA . 25870 1 1602 . 1 1 145 145 THR CB C 13 68.899 0.000 . 1 . . . A 884 THR CB . 25870 1 1603 . 1 1 145 145 THR CG2 C 13 22.077 0.000 . 1 . . . A 884 THR CG2 . 25870 1 1604 . 1 1 145 145 THR N N 15 110.683 0.000 . 1 . . . A 884 THR N . 25870 1 1605 . 1 1 146 146 ALA H H 1 7.905 0.000 . 1 . . . A 885 ALA H . 25870 1 1606 . 1 1 146 146 ALA HA H 1 4.236 0.000 . 1 . . . A 885 ALA HA . 25870 1 1607 . 1 1 146 146 ALA HB1 H 1 1.222 0.000 . 1 . . . A 885 ALA HB1 . 25870 1 1608 . 1 1 146 146 ALA HB2 H 1 1.222 0.000 . 1 . . . A 885 ALA HB2 . 25870 1 1609 . 1 1 146 146 ALA HB3 H 1 1.222 0.000 . 1 . . . A 885 ALA HB3 . 25870 1 1610 . 1 1 146 146 ALA CA C 13 52.030 0.000 . 1 . . . A 885 ALA CA . 25870 1 1611 . 1 1 146 146 ALA CB C 13 19.225 0.000 . 1 . . . A 885 ALA CB . 25870 1 1612 . 1 1 146 146 ALA N N 15 125.456 0.000 . 1 . . . A 885 ALA N . 25870 1 1613 . 1 1 147 147 LEU H H 1 8.079 0.000 . 1 . . . A 886 LEU H . 25870 1 1614 . 1 1 147 147 LEU HA H 1 4.002 0.000 . 1 . . . A 886 LEU HA . 25870 1 1615 . 1 1 147 147 LEU HB2 H 1 1.438 0.000 . 2 . . . A 886 LEU HB2 . 25870 1 1616 . 1 1 147 147 LEU HB3 H 1 1.296 0.000 . 2 . . . A 886 LEU HB3 . 25870 1 1617 . 1 1 147 147 LEU HG H 1 1.474 0.000 . 1 . . . A 886 LEU HG . 25870 1 1618 . 1 1 147 147 LEU HD11 H 1 0.823 0.000 . 2 . . . A 886 LEU HD11 . 25870 1 1619 . 1 1 147 147 LEU HD12 H 1 0.823 0.000 . 2 . . . A 886 LEU HD12 . 25870 1 1620 . 1 1 147 147 LEU HD13 H 1 0.823 0.000 . 2 . . . A 886 LEU HD13 . 25870 1 1621 . 1 1 147 147 LEU HD21 H 1 0.749 0.000 . 2 . . . A 886 LEU HD21 . 25870 1 1622 . 1 1 147 147 LEU HD22 H 1 0.749 0.000 . 2 . . . A 886 LEU HD22 . 25870 1 1623 . 1 1 147 147 LEU HD23 H 1 0.749 0.000 . 2 . . . A 886 LEU HD23 . 25870 1 1624 . 1 1 147 147 LEU CA C 13 55.462 0.000 . 1 . . . A 886 LEU CA . 25870 1 1625 . 1 1 147 147 LEU CB C 13 42.265 0.010 . 1 . . . A 886 LEU CB . 25870 1 1626 . 1 1 147 147 LEU CG C 13 27.259 0.000 . 1 . . . A 886 LEU CG . 25870 1 1627 . 1 1 147 147 LEU CD1 C 13 25.111 0.000 . 1 . . . A 886 LEU CD1 . 25870 1 1628 . 1 1 147 147 LEU CD2 C 13 23.516 0.000 . 1 . . . A 886 LEU CD2 . 25870 1 1629 . 1 1 147 147 LEU N N 15 120.638 0.000 . 1 . . . A 886 LEU N . 25870 1 1630 . 1 1 148 148 TYR H H 1 8.267 0.000 . 1 . . . A 887 TYR H . 25870 1 1631 . 1 1 148 148 TYR HA H 1 4.356 0.000 . 1 . . . A 887 TYR HA . 25870 1 1632 . 1 1 148 148 TYR HB2 H 1 2.817 0.000 . 2 . . . A 887 TYR HB2 . 25870 1 1633 . 1 1 148 148 TYR HB3 H 1 2.746 0.000 . 2 . . . A 887 TYR HB3 . 25870 1 1634 . 1 1 148 148 TYR HD1 H 1 7.096 0.000 . 1 . . . A 887 TYR HD1 . 25870 1 1635 . 1 1 148 148 TYR HD2 H 1 7.096 0.000 . 1 . . . A 887 TYR HD2 . 25870 1 1636 . 1 1 148 148 TYR HE1 H 1 6.837 0.000 . 1 . . . A 887 TYR HE1 . 25870 1 1637 . 1 1 148 148 TYR HE2 H 1 6.837 0.000 . 1 . . . A 887 TYR HE2 . 25870 1 1638 . 1 1 148 148 TYR CA C 13 58.750 0.000 . 1 . . . A 887 TYR CA . 25870 1 1639 . 1 1 148 148 TYR CB C 13 38.569 0.000 . 1 . . . A 887 TYR CB . 25870 1 1640 . 1 1 148 148 TYR CD1 C 13 133.115 0.000 . 1 . . . A 887 TYR CD1 . 25870 1 1641 . 1 1 148 148 TYR CD2 C 13 133.115 0.000 . 1 . . . A 887 TYR CD2 . 25870 1 1642 . 1 1 148 148 TYR CE1 C 13 118.075 0.000 . 1 . . . A 887 TYR CE1 . 25870 1 1643 . 1 1 148 148 TYR CE2 C 13 118.075 0.000 . 1 . . . A 887 TYR CE2 . 25870 1 1644 . 1 1 148 148 TYR N N 15 121.526 0.000 . 1 . . . A 887 TYR N . 25870 1 1645 . 1 1 149 149 GLY H H 1 8.087 0.000 . 1 . . . A 888 GLY H . 25870 1 1646 . 1 1 149 149 GLY HA2 H 1 3.764 0.000 . 2 . . . A 888 GLY HA2 . 25870 1 1647 . 1 1 149 149 GLY HA3 H 1 3.666 0.000 . 2 . . . A 888 GLY HA3 . 25870 1 1648 . 1 1 149 149 GLY CA C 13 45.090 0.000 . 1 . . . A 888 GLY CA . 25870 1 1649 . 1 1 149 149 GLY N N 15 112.379 0.000 . 1 . . . A 888 GLY N . 25870 1 1650 . 1 1 150 150 GLU H H 1 7.994 0.000 . 1 . . . A 889 GLU H . 25870 1 1651 . 1 1 150 150 GLU HA H 1 4.256 0.000 . 1 . . . A 889 GLU HA . 25870 1 1652 . 1 1 150 150 GLU HB2 H 1 2.034 0.000 . 2 . . . A 889 GLU HB2 . 25870 1 1653 . 1 1 150 150 GLU HB3 H 1 1.869 0.000 . 2 . . . A 889 GLU HB3 . 25870 1 1654 . 1 1 150 150 GLU HG2 H 1 2.220 0.000 . 2 . . . A 889 GLU HG2 . 25870 1 1655 . 1 1 150 150 GLU HG3 H 1 2.172 0.000 . 2 . . . A 889 GLU HG3 . 25870 1 1656 . 1 1 150 150 GLU CA C 13 56.445 0.000 . 1 . . . A 889 GLU CA . 25870 1 1657 . 1 1 150 150 GLU CB C 13 30.393 0.000 . 1 . . . A 889 GLU CB . 25870 1 1658 . 1 1 150 150 GLU CG C 13 36.231 0.000 . 1 . . . A 889 GLU CG . 25870 1 1659 . 1 1 150 150 GLU N N 15 120.255 0.000 . 1 . . . A 889 GLU N . 25870 1 1660 . 1 1 151 151 SER H H 1 8.329 0.000 . 1 . . . A 890 SER H . 25870 1 1661 . 1 1 151 151 SER HA H 1 4.415 0.000 . 1 . . . A 890 SER HA . 25870 1 1662 . 1 1 151 151 SER HB2 H 1 3.790 0.000 . 2 . . . A 890 SER HB2 . 25870 1 1663 . 1 1 151 151 SER HB3 H 1 3.782 0.000 . 2 . . . A 890 SER HB3 . 25870 1 1664 . 1 1 151 151 SER CA C 13 58.204 0.000 . 1 . . . A 890 SER CA . 25870 1 1665 . 1 1 151 151 SER CB C 13 63.913 0.000 . 1 . . . A 890 SER CB . 25870 1 1666 . 1 1 151 151 SER N N 15 116.375 0.000 . 1 . . . A 890 SER N . 25870 1 1667 . 1 1 152 152 ASP H H 1 8.394 0.000 . 1 . . . A 891 ASP H . 25870 1 1668 . 1 1 152 152 ASP HA H 1 4.610 0.000 . 1 . . . A 891 ASP HA . 25870 1 1669 . 1 1 152 152 ASP HB2 H 1 2.675 0.000 . 2 . . . A 891 ASP HB2 . 25870 1 1670 . 1 1 152 152 ASP HB3 H 1 2.550 0.000 . 2 . . . A 891 ASP HB3 . 25870 1 1671 . 1 1 152 152 ASP CA C 13 54.371 0.000 . 1 . . . A 891 ASP CA . 25870 1 1672 . 1 1 152 152 ASP CB C 13 41.013 0.000 . 1 . . . A 891 ASP CB . 25870 1 1673 . 1 1 152 152 ASP N N 15 123.017 0.000 . 1 . . . A 891 ASP N . 25870 1 1674 . 1 1 153 153 LEU H H 1 7.730 0.000 . 1 . . . A 892 LEU H . 25870 1 1675 . 1 1 153 153 LEU HA H 1 4.110 0.000 . 1 . . . A 892 LEU HA . 25870 1 1676 . 1 1 153 153 LEU HB2 H 1 1.531 0.000 . 2 . . . A 892 LEU HB2 . 25870 1 1677 . 1 1 153 153 LEU HB3 H 1 1.511 0.000 . 2 . . . A 892 LEU HB3 . 25870 1 1678 . 1 1 153 153 LEU HG H 1 0.851 0.000 . 1 . . . A 892 LEU HG . 25870 1 1679 . 1 1 153 153 LEU HD11 H 1 0.810 0.000 . 2 . . . A 892 LEU HD11 . 25870 1 1680 . 1 1 153 153 LEU HD12 H 1 0.810 0.000 . 2 . . . A 892 LEU HD12 . 25870 1 1681 . 1 1 153 153 LEU HD13 H 1 0.810 0.000 . 2 . . . A 892 LEU HD13 . 25870 1 1682 . 1 1 153 153 LEU HD21 H 1 1.536 0.000 . 2 . . . A 892 LEU HD21 . 25870 1 1683 . 1 1 153 153 LEU HD22 H 1 1.536 0.000 . 2 . . . A 892 LEU HD22 . 25870 1 1684 . 1 1 153 153 LEU HD23 H 1 1.536 0.000 . 2 . . . A 892 LEU HD23 . 25870 1 1685 . 1 1 153 153 LEU CA C 13 56.724 0.000 . 1 . . . A 892 LEU CA . 25870 1 1686 . 1 1 153 153 LEU CB C 13 43.411 0.000 . 1 . . . A 892 LEU CB . 25870 1 1687 . 1 1 153 153 LEU CG C 13 25.171 0.000 . 1 . . . A 892 LEU CG . 25870 1 1688 . 1 1 153 153 LEU CD1 C 13 23.524 0.000 . 1 . . . A 892 LEU CD1 . 25870 1 1689 . 1 1 153 153 LEU CD2 C 13 27.166 0.000 . 1 . . . A 892 LEU CD2 . 25870 1 1690 . 1 1 153 153 LEU N N 15 127.340 0.000 . 1 . . . A 892 LEU N . 25870 1 stop_ save_