data_15722 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15722 _Entry.Title ; 1H, 13C and 15N Resonance Assignments of Ca2+ bound collagen-binding domain derived from a clostridial collagenase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-08 _Entry.Accession_date 2008-04-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Sagaya T. Leena' Philominathan . . . 15722 2 Osamu Matsushita . . . 15722 3 'J. Brad' Jordan . . . 15722 4 Joshua Sakon . . . 15722 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15722 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 15722 '15N chemical shifts' 105 15722 '1H chemical shifts' 593 15722 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 3 . . 2009-08-13 2008-04-08 update BMRB 'added PubMed ID' 15722 2 . . 2008-12-02 2008-04-08 update BMRB 'complete entry citation' 15722 1 . . 2008-08-08 2008-04-08 original author 'original release' 15722 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15722 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636886 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of Ca2+ bound collagen-binding domain derived from a clostridial collagenase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 127 _Citation.Page_last 129 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Sagaya Theresa Leena' Philominathan . . . 15722 1 2 Osamu Matsushita . . . 15722 1 3 'John Brad' Jordan . . . 15722 1 4 Joshua Sakon . . . 15722 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15722 _Assembly.ID 1 _Assembly.Name 'Ca2+ bound Collagen binding domain derived from Clostridium Histolyticum' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Collagen binding domain derived from Clostridium Histolyticum' 1 $Collagen_binding_domain_derived_from_Clostridium_Histolyticum A . yes native no no . . . 15722 1 2 'Calcium ion, 2+' 2 $CA B . no native no no . . . 15722 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes GenBank D87215 . . 'Expressed protein' . 'Gene duplidation and multiplicity of collagenase in Clostridium histolyticum' . 15722 1 yes PDB 1NQD . . X-ray . 'Crystal structure of Clostridium histolyticum ColG collagenase Collagen-Binding Domain at 1.65 A in the presence of calcium' . 15722 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID collagenase 15722 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Collagen_binding_domain_derived_from_Clostridium_Histolyticum _Entity.Sf_category entity _Entity.Sf_framecode Collagen_binding_domain_derived_from_Clostridium_Histolyticum _Entity.Entry_ID 15722 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Collagen_binding_domain_derived_from_Clostridium_Histolyticum _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPGIPGNEKLKEKENNDSS DKATVIPNFNTTMQGSLLGD DSRDYYSFEVKEEGEVNIEL DKKDEFGVTWTLHPESNIND RITYGQVDGNKVSNKVKLRP GKYYLLVYKYSGSGNYELRV NK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 887 G 888 S 889 P ... 1006 V 1007 N 1008 K ; _Entity.Polymer_author_seq_details 'Residues 887-892 are introduced as clonging artifact' _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13786 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NQD . "Crystal Structure Of Clostridium Histolyticum Colg Collagenase Collagen-Binding Domain 3b At 1.65 Angstrom Resolution In Presen" . . . . . 100.00 122 100.00 100.00 1.12e-80 . . . . 15722 1 2 no PDB 1NQJ . "Crystal Structure Of Clostridium Histolyticum Colg Collagenase Collagen-Binding Domain 3b At 1.0 Angstrom Resolution In Absence" . . . . . 97.54 119 99.16 99.16 6.38e-77 . . . . 15722 1 3 no PDB 2O8O . "Crystal Structure Of Clostridium Histolyticum Colg Collagenase Collagen-Binding Domain 3b At 1.35 Angstrom Resolution In Presen" . . . . . 100.00 122 100.00 100.00 1.12e-80 . . . . 15722 1 4 no PDB 4HPK . "Crystal Structure Of Clostridium Histolyticum Colg Collagenase Collagen-binding Domain 3b At 1.35 Angstrom Resolution In Presen" . . . . . 96.72 118 100.00 100.00 1.55e-77 . . . . 15722 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 887 GLY . 15722 1 2 888 SER . 15722 1 3 889 PRO . 15722 1 4 890 GLY . 15722 1 5 891 ILE . 15722 1 6 892 PRO . 15722 1 7 893 GLY . 15722 1 8 894 ASN . 15722 1 9 895 GLU . 15722 1 10 896 LYS . 15722 1 11 897 LEU . 15722 1 12 898 LYS . 15722 1 13 899 GLU . 15722 1 14 900 LYS . 15722 1 15 901 GLU . 15722 1 16 902 ASN . 15722 1 17 903 ASN . 15722 1 18 904 ASP . 15722 1 19 905 SER . 15722 1 20 906 SER . 15722 1 21 907 ASP . 15722 1 22 908 LYS . 15722 1 23 909 ALA . 15722 1 24 910 THR . 15722 1 25 911 VAL . 15722 1 26 912 ILE . 15722 1 27 913 PRO . 15722 1 28 914 ASN . 15722 1 29 915 PHE . 15722 1 30 916 ASN . 15722 1 31 917 THR . 15722 1 32 918 THR . 15722 1 33 919 MET . 15722 1 34 920 GLN . 15722 1 35 921 GLY . 15722 1 36 922 SER . 15722 1 37 923 LEU . 15722 1 38 924 LEU . 15722 1 39 925 GLY . 15722 1 40 926 ASP . 15722 1 41 927 ASP . 15722 1 42 928 SER . 15722 1 43 929 ARG . 15722 1 44 930 ASP . 15722 1 45 931 TYR . 15722 1 46 932 TYR . 15722 1 47 933 SER . 15722 1 48 934 PHE . 15722 1 49 935 GLU . 15722 1 50 936 VAL . 15722 1 51 937 LYS . 15722 1 52 938 GLU . 15722 1 53 939 GLU . 15722 1 54 940 GLY . 15722 1 55 941 GLU . 15722 1 56 942 VAL . 15722 1 57 943 ASN . 15722 1 58 944 ILE . 15722 1 59 945 GLU . 15722 1 60 946 LEU . 15722 1 61 947 ASP . 15722 1 62 948 LYS . 15722 1 63 949 LYS . 15722 1 64 950 ASP . 15722 1 65 951 GLU . 15722 1 66 952 PHE . 15722 1 67 953 GLY . 15722 1 68 954 VAL . 15722 1 69 955 THR . 15722 1 70 956 TRP . 15722 1 71 957 THR . 15722 1 72 958 LEU . 15722 1 73 959 HIS . 15722 1 74 960 PRO . 15722 1 75 961 GLU . 15722 1 76 962 SER . 15722 1 77 963 ASN . 15722 1 78 964 ILE . 15722 1 79 965 ASN . 15722 1 80 966 ASP . 15722 1 81 967 ARG . 15722 1 82 968 ILE . 15722 1 83 969 THR . 15722 1 84 970 TYR . 15722 1 85 971 GLY . 15722 1 86 972 GLN . 15722 1 87 973 VAL . 15722 1 88 974 ASP . 15722 1 89 975 GLY . 15722 1 90 976 ASN . 15722 1 91 977 LYS . 15722 1 92 978 VAL . 15722 1 93 979 SER . 15722 1 94 980 ASN . 15722 1 95 981 LYS . 15722 1 96 982 VAL . 15722 1 97 983 LYS . 15722 1 98 984 LEU . 15722 1 99 985 ARG . 15722 1 100 986 PRO . 15722 1 101 987 GLY . 15722 1 102 988 LYS . 15722 1 103 989 TYR . 15722 1 104 990 TYR . 15722 1 105 991 LEU . 15722 1 106 992 LEU . 15722 1 107 993 VAL . 15722 1 108 994 TYR . 15722 1 109 995 LYS . 15722 1 110 996 TYR . 15722 1 111 997 SER . 15722 1 112 998 GLY . 15722 1 113 999 SER . 15722 1 114 1000 GLY . 15722 1 115 1001 ASN . 15722 1 116 1002 TYR . 15722 1 117 1003 GLU . 15722 1 118 1004 LEU . 15722 1 119 1005 ARG . 15722 1 120 1006 VAL . 15722 1 121 1007 ASN . 15722 1 122 1008 LYS . 15722 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 15722 1 . SER 2 2 15722 1 . PRO 3 3 15722 1 . GLY 4 4 15722 1 . ILE 5 5 15722 1 . PRO 6 6 15722 1 . GLY 7 7 15722 1 . ASN 8 8 15722 1 . GLU 9 9 15722 1 . LYS 10 10 15722 1 . LEU 11 11 15722 1 . LYS 12 12 15722 1 . GLU 13 13 15722 1 . LYS 14 14 15722 1 . GLU 15 15 15722 1 . ASN 16 16 15722 1 . ASN 17 17 15722 1 . ASP 18 18 15722 1 . SER 19 19 15722 1 . SER 20 20 15722 1 . ASP 21 21 15722 1 . LYS 22 22 15722 1 . ALA 23 23 15722 1 . THR 24 24 15722 1 . VAL 25 25 15722 1 . ILE 26 26 15722 1 . PRO 27 27 15722 1 . ASN 28 28 15722 1 . PHE 29 29 15722 1 . ASN 30 30 15722 1 . THR 31 31 15722 1 . THR 32 32 15722 1 . MET 33 33 15722 1 . GLN 34 34 15722 1 . GLY 35 35 15722 1 . SER 36 36 15722 1 . LEU 37 37 15722 1 . LEU 38 38 15722 1 . GLY 39 39 15722 1 . ASP 40 40 15722 1 . ASP 41 41 15722 1 . SER 42 42 15722 1 . ARG 43 43 15722 1 . ASP 44 44 15722 1 . TYR 45 45 15722 1 . TYR 46 46 15722 1 . SER 47 47 15722 1 . PHE 48 48 15722 1 . GLU 49 49 15722 1 . VAL 50 50 15722 1 . LYS 51 51 15722 1 . GLU 52 52 15722 1 . GLU 53 53 15722 1 . GLY 54 54 15722 1 . GLU 55 55 15722 1 . VAL 56 56 15722 1 . ASN 57 57 15722 1 . ILE 58 58 15722 1 . GLU 59 59 15722 1 . LEU 60 60 15722 1 . ASP 61 61 15722 1 . LYS 62 62 15722 1 . LYS 63 63 15722 1 . ASP 64 64 15722 1 . GLU 65 65 15722 1 . PHE 66 66 15722 1 . GLY 67 67 15722 1 . VAL 68 68 15722 1 . THR 69 69 15722 1 . TRP 70 70 15722 1 . THR 71 71 15722 1 . LEU 72 72 15722 1 . HIS 73 73 15722 1 . PRO 74 74 15722 1 . GLU 75 75 15722 1 . SER 76 76 15722 1 . ASN 77 77 15722 1 . ILE 78 78 15722 1 . ASN 79 79 15722 1 . ASP 80 80 15722 1 . ARG 81 81 15722 1 . ILE 82 82 15722 1 . THR 83 83 15722 1 . TYR 84 84 15722 1 . GLY 85 85 15722 1 . GLN 86 86 15722 1 . VAL 87 87 15722 1 . ASP 88 88 15722 1 . GLY 89 89 15722 1 . ASN 90 90 15722 1 . LYS 91 91 15722 1 . VAL 92 92 15722 1 . SER 93 93 15722 1 . ASN 94 94 15722 1 . LYS 95 95 15722 1 . VAL 96 96 15722 1 . LYS 97 97 15722 1 . LEU 98 98 15722 1 . ARG 99 99 15722 1 . PRO 100 100 15722 1 . GLY 101 101 15722 1 . LYS 102 102 15722 1 . TYR 103 103 15722 1 . TYR 104 104 15722 1 . LEU 105 105 15722 1 . LEU 106 106 15722 1 . VAL 107 107 15722 1 . TYR 108 108 15722 1 . LYS 109 109 15722 1 . TYR 110 110 15722 1 . SER 111 111 15722 1 . GLY 112 112 15722 1 . SER 113 113 15722 1 . GLY 114 114 15722 1 . ASN 115 115 15722 1 . TYR 116 116 15722 1 . GLU 117 117 15722 1 . LEU 118 118 15722 1 . ARG 119 119 15722 1 . VAL 120 120 15722 1 . ASN 121 121 15722 1 . LYS 122 122 15722 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15722 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 15722 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 15722 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Collagen_binding_domain_derived_from_Clostridium_Histolyticum . 1498 organism . 'Clostridium histolyticum' 'Bacillus histolyticus' . . Eubacteria . Clostridium histolyticum BL21 . . . . . . . . . . . . . . . 'Clostridium Histolyticum' . 'Monomeric CBD derived from the Clostridium histolyticum class I collagenase (ColG)' . . 15722 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 15722 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Collagen_binding_domain_derived_from_Clostridium_Histolyticum . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-4T-2 . . . . . . 15722 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 15722 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CA _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:14:40 2008 ; _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 [Ca++] SMILES CACTVS 3.341 15722 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 15722 CA [Ca+2] SMILES ACDLabs 10.04 15722 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 15722 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15722 CA InChI=1/Ca/q+2 InChI InChI 1.01 15722 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 15722 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15722 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 . N . 2 . . . . no no . . . . . . . . . . . . . . . 15722 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15722 _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 'Collagen binding domain derived from Clostridium Histolyticum' '[U-100% 13C; U-100% 15N]' . . 1 $Collagen_binding_domain_derived_from_Clostridium_Histolyticum . . 0.75 . . mM . . . . 15722 1 2 'Calcium Chloride' 'natural abundance' . . 2 $CA . . 20 . . mM . . . . 15722 1 3 TRIS '[U-100% 2H]' . . . . . . 50 . . mM . . . . 15722 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15722 1 5 'sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15722 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15722 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Collagen binding domain derived from Clostridium Histolyticum' '[U-99% 15N]' . . 1 $Collagen_binding_domain_derived_from_Clostridium_Histolyticum . . 0.75 . . mM . . . . 15722 2 2 'Calcium Chloride' 'natural abundance' . . 2 $CA . . 20 . . mM . . . . 15722 2 3 TRIS '[U-100% 2H]' . . . . . . 50 . . mM . . . . 15722 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15722 2 5 'sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15722 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15722 _Sample.ID 3 _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 'Collagen binding domain derived from Clostridium Histolyticum' '[U-100% 13C]' . . 1 $Collagen_binding_domain_derived_from_Clostridium_Histolyticum . . 0.75 . . mM . . . . 15722 3 2 'Calcium Chloride' 'natural abundance' . . 2 $CA . . 20 . . mM . . . . 15722 3 3 TRIS '[U-100% 2H]' . . . . . . 50 . . mM . . . . 15722 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15722 3 5 'sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 15722 3 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 15722 _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' 100 1 mM 15722 1 pH 7.5 0.1 pH 15722 1 pressure 1 . atm 15722 1 temperature 298 0.1 K 15722 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15722 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15722 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15722 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15722 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15722 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15722 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15722 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 15722 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 15722 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 15722 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15722 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 15722 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 15722 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 15722 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.101329118 . . . . . . . . . 15722 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 15722 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 15722 1 2 '3D HN(CO)CA' . . . 15722 1 3 '3D HNCACB' . . . 15722 1 4 '3D CBCA(CO)NH' . . . 15722 1 5 '3D HNCO' . . . 15722 1 6 '3D HBHA(CO)NH' . . . 15722 1 7 '3D 1H-15N NOESY' . . . 15722 1 8 '3D H(CCO)NH' . . . 15722 1 9 '3D HCCH-TOCSY' . . . 15722 1 10 '3D 1H-15N TOCSY' . . . 15722 1 11 '2D 1H-15N HSQC' . . . 15722 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $xwinnmr . . 15722 1 2 $SPARKY . . 15722 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 7 7 GLY H H 1 8.38 0.01 . 1 . . . . 893 GLY H . 15722 1 2 . 1 1 7 7 GLY C C 13 172.294 0.05 . 1 . . . . 893 GLY C . 15722 1 3 . 1 1 7 7 GLY CA C 13 42.45 0.05 . 1 . . . . 893 GLY CA . 15722 1 4 . 1 1 7 7 GLY N N 15 109.22 0.1 . 1 . . . . 893 GLY N . 15722 1 5 . 1 1 8 8 ASN H H 1 8.18 0.01 . 1 . . . . 894 ASN H . 15722 1 6 . 1 1 8 8 ASN HA H 1 4.97 0.01 . 1 . . . . 894 ASN HA . 15722 1 7 . 1 1 8 8 ASN HB2 H 1 2.63 0.01 . 2 . . . . 894 ASN HB2 . 15722 1 8 . 1 1 8 8 ASN HB3 H 1 2.63 0.01 . 2 . . . . 894 ASN HB3 . 15722 1 9 . 1 1 8 8 ASN C C 13 173.40 0.05 . 1 . . . . 894 ASN C . 15722 1 10 . 1 1 8 8 ASN CA C 13 50.38 0.05 . 1 . . . . 894 ASN CA . 15722 1 11 . 1 1 8 8 ASN CB C 13 36.35 0.05 . 1 . . . . 894 ASN CB . 15722 1 12 . 1 1 8 8 ASN N N 15 118.77 0.05 . 1 . . . . 894 ASN N . 15722 1 13 . 1 1 9 9 GLU H H 1 8.288 0.01 . 1 . . . . 895 GLU H . 15722 1 14 . 1 1 9 9 GLU CA C 13 53.897 0.05 . 1 . . . . 895 GLU CA . 15722 1 15 . 1 1 9 9 GLU CB C 13 26.925 0.05 . 1 . . . . 895 GLU CB . 15722 1 16 . 1 1 9 9 GLU N N 15 121.203 0.05 . 1 . . . . 895 GLU N . 15722 1 17 . 1 1 10 10 LYS HA H 1 4.90 0.01 . 1 . . . . 896 LYS HA . 15722 1 18 . 1 1 10 10 LYS HB2 H 1 1.55 0.01 . 2 . . . . 896 LYS HB2 . 15722 1 19 . 1 1 10 10 LYS HB3 H 1 1.55 0.01 . 2 . . . . 896 LYS HB3 . 15722 1 20 . 1 1 10 10 LYS HD2 H 1 1.39 0.01 . 2 . . . . 896 LYS HD2 . 15722 1 21 . 1 1 10 10 LYS HD3 H 1 1.39 0.01 . 2 . . . . 896 LYS HD3 . 15722 1 22 . 1 1 10 10 LYS HE2 H 1 2.49 0.01 . 2 . . . . 896 LYS HE2 . 15722 1 23 . 1 1 10 10 LYS HE3 H 1 2.49 0.01 . 2 . . . . 896 LYS HE3 . 15722 1 24 . 1 1 10 10 LYS HG2 H 1 1.14 0.01 . 2 . . . . 896 LYS HG2 . 15722 1 25 . 1 1 10 10 LYS HG3 H 1 1.14 0.01 . 2 . . . . 896 LYS HG3 . 15722 1 26 . 1 1 10 10 LYS CA C 13 52.50 0.05 . 1 . . . . 896 LYS CA . 15722 1 27 . 1 1 10 10 LYS CB C 13 31.45 0.05 . 1 . . . . 896 LYS CB . 15722 1 28 . 1 1 10 10 LYS CD C 13 26.85 0.05 . 1 . . . . 896 LYS CD . 15722 1 29 . 1 1 10 10 LYS CE C 13 39.43 0.05 . 1 . . . . 896 LYS CE . 15722 1 30 . 1 1 10 10 LYS CG C 13 22.74 0.05 . 1 . . . . 896 LYS CG . 15722 1 31 . 1 1 11 11 LEU H H 1 8.587 0.01 . 1 . . . . 897 LEU H . 15722 1 32 . 1 1 11 11 LEU HA H 1 4.599 0.01 . 1 . . . . 897 LEU HA . 15722 1 33 . 1 1 11 11 LEU HB2 H 1 1.639 0.01 . 2 . . . . 897 LEU HB2 . 15722 1 34 . 1 1 11 11 LEU HB3 H 1 1.475 0.01 . 2 . . . . 897 LEU HB3 . 15722 1 35 . 1 1 11 11 LEU HG H 1 0.837 0.01 . 1 . . . . 897 LEU HG . 15722 1 36 . 1 1 11 11 LEU C C 13 172.36 0.05 . 1 . . . . 897 LEU C . 15722 1 37 . 1 1 11 11 LEU CA C 13 50.97 0.05 . 1 . . . . 897 LEU CA . 15722 1 38 . 1 1 11 11 LEU CB C 13 42.14 0.05 . 1 . . . . 897 LEU CB . 15722 1 39 . 1 1 11 11 LEU N N 15 124.67 0.1 . 1 . . . . 897 LEU N . 15722 1 40 . 1 1 12 12 LYS H H 1 8.278 0.01 . 1 . . . . 898 LYS H . 15722 1 41 . 1 1 12 12 LYS HA H 1 4.905 0.01 . 1 . . . . 898 LYS HA . 15722 1 42 . 1 1 12 12 LYS HB2 H 1 1.90 0.01 . 2 . . . . 898 LYS HB2 . 15722 1 43 . 1 1 12 12 LYS HB3 H 1 1.90 0.01 . 2 . . . . 898 LYS HB3 . 15722 1 44 . 1 1 12 12 LYS HD2 H 1 1.534 0.01 . 2 . . . . 898 LYS HD2 . 15722 1 45 . 1 1 12 12 LYS HD3 H 1 1.534 0.01 . 2 . . . . 898 LYS HD3 . 15722 1 46 . 1 1 12 12 LYS HG2 H 1 1.347 0.01 . 2 . . . . 898 LYS HG2 . 15722 1 47 . 1 1 12 12 LYS HG3 H 1 1.347 0.01 . 2 . . . . 898 LYS HG3 . 15722 1 48 . 1 1 12 12 LYS C C 13 173.900 0.05 . 1 . . . . 898 LYS C . 15722 1 49 . 1 1 12 12 LYS CA C 13 52.84 0.05 . 1 . . . . 898 LYS CA . 15722 1 50 . 1 1 12 12 LYS CB C 13 31.883 0.05 . 1 . . . . 898 LYS CB . 15722 1 51 . 1 1 12 12 LYS CD C 13 26.537 0.05 . 1 . . . . 898 LYS CD . 15722 1 52 . 1 1 12 12 LYS CG C 13 22.562 0.05 . 1 . . . . 898 LYS CG . 15722 1 53 . 1 1 12 12 LYS N N 15 121.7 0.1 . 1 . . . . 898 LYS N . 15722 1 54 . 1 1 13 13 GLU H H 1 7.834 0.01 . 1 . . . . 899 GLU H . 15722 1 55 . 1 1 13 13 GLU HA H 1 4.277 0.01 . 1 . . . . 899 GLU HA . 15722 1 56 . 1 1 13 13 GLU HB2 H 1 2.729 0.01 . 2 . . . . 899 GLU HB2 . 15722 1 57 . 1 1 13 13 GLU HB3 H 1 2.612 0.01 . 2 . . . . 899 GLU HB3 . 15722 1 58 . 1 1 13 13 GLU HG2 H 1 1.94 0.01 . 2 . . . . 899 GLU HG2 . 15722 1 59 . 1 1 13 13 GLU HG3 H 1 1.94 0.01 . 2 . . . . 899 GLU HG3 . 15722 1 60 . 1 1 13 13 GLU C C 13 170.759 0.05 . 1 . . . . 899 GLU C . 15722 1 61 . 1 1 13 13 GLU CA C 13 53.848 0.05 . 1 . . . . 899 GLU CA . 15722 1 62 . 1 1 13 13 GLU CB C 13 25.521 0.05 . 1 . . . . 899 GLU CB . 15722 1 63 . 1 1 13 13 GLU CG C 13 31.092 0.05 . 1 . . . . 899 GLU CG . 15722 1 64 . 1 1 13 13 GLU N N 15 117.6 0.1 . 1 . . . . 899 GLU N . 15722 1 65 . 1 1 14 14 LYS H H 1 7.325 0.01 . 1 . . . . 900 LYS H . 15722 1 66 . 1 1 14 14 LYS HA H 1 4.63 0.01 . 1 . . . . 900 LYS HA . 15722 1 67 . 1 1 14 14 LYS HB2 H 1 1.658 0.01 . 2 . . . . 900 LYS HB2 . 15722 1 68 . 1 1 14 14 LYS HB3 H 1 1.658 0.01 . 2 . . . . 900 LYS HB3 . 15722 1 69 . 1 1 14 14 LYS HD2 H 1 1.543 0.01 . 2 . . . . 900 LYS HD2 . 15722 1 70 . 1 1 14 14 LYS HD3 H 1 1.543 0.01 . 2 . . . . 900 LYS HD3 . 15722 1 71 . 1 1 14 14 LYS HE2 H 1 2.605 0.01 . 2 . . . . 900 LYS HE2 . 15722 1 72 . 1 1 14 14 LYS HE3 H 1 2.605 0.01 . 2 . . . . 900 LYS HE3 . 15722 1 73 . 1 1 14 14 LYS HG2 H 1 1.303 0.01 . 2 . . . . 900 LYS HG2 . 15722 1 74 . 1 1 14 14 LYS HG3 H 1 1.303 0.01 . 2 . . . . 900 LYS HG3 . 15722 1 75 . 1 1 14 14 LYS C C 13 173.2 0.05 . 1 . . . . 900 LYS C . 15722 1 76 . 1 1 14 14 LYS CA C 13 51.84 0.05 . 1 . . . . 900 LYS CA . 15722 1 77 . 1 1 14 14 LYS CB C 13 30.994 0.05 . 1 . . . . 900 LYS CB . 15722 1 78 . 1 1 14 14 LYS CD C 13 26.402 0.05 . 1 . . . . 900 LYS CD . 15722 1 79 . 1 1 14 14 LYS CE C 13 39.571 0.05 . 1 . . . . 900 LYS CE . 15722 1 80 . 1 1 14 14 LYS CG C 13 21.734 0.05 . 1 . . . . 900 LYS CG . 15722 1 81 . 1 1 14 14 LYS N N 15 121.502 0.1 . 1 . . . . 900 LYS N . 15722 1 82 . 1 1 15 15 GLU H H 1 8.494 0.01 . 1 . . . . 901 GLU H . 15722 1 83 . 1 1 15 15 GLU HA H 1 4.692 0.01 . 1 . . . . 901 GLU HA . 15722 1 84 . 1 1 15 15 GLU HG2 H 1 1.633 0.01 . 2 . . . . 901 GLU HG2 . 15722 1 85 . 1 1 15 15 GLU HG3 H 1 1.633 0.01 . 2 . . . . 901 GLU HG3 . 15722 1 86 . 1 1 15 15 GLU C C 13 173.056 0.05 . 1 . . . . 901 GLU C . 15722 1 87 . 1 1 15 15 GLU CA C 13 51.204 0.05 . 1 . . . . 901 GLU CA . 15722 1 88 . 1 1 15 15 GLU CB C 13 25.102 0.05 . 1 . . . . 901 GLU CB . 15722 1 89 . 1 1 15 15 GLU N N 15 124.008 0.1 . 1 . . . . 901 GLU N . 15722 1 90 . 1 1 16 16 ASN H H 1 7.676 0.01 . 1 . . . . 902 ASN H . 15722 1 91 . 1 1 16 16 ASN HA H 1 5.099 0.01 . 1 . . . . 902 ASN HA . 15722 1 92 . 1 1 16 16 ASN HB2 H 1 2.731 0.01 . 2 . . . . 902 ASN HB2 . 15722 1 93 . 1 1 16 16 ASN HB3 H 1 2.647 0.01 . 2 . . . . 902 ASN HB3 . 15722 1 94 . 1 1 16 16 ASN C C 13 171.864 0.05 . 1 . . . . 902 ASN C . 15722 1 95 . 1 1 16 16 ASN CA C 13 51.904 0.05 . 1 . . . . 902 ASN CA . 15722 1 96 . 1 1 16 16 ASN CB C 13 38.002 0.05 . 1 . . . . 902 ASN CB . 15722 1 97 . 1 1 16 16 ASN N N 15 122.0 0.1 . 1 . . . . 902 ASN N . 15722 1 98 . 1 1 17 17 ASN H H 1 7.773 0.01 . 1 . . . . 903 ASN H . 15722 1 99 . 1 1 17 17 ASN HA H 1 5.223 0.01 . 1 . . . . 903 ASN HA . 15722 1 100 . 1 1 17 17 ASN HB2 H 1 2.831 0.01 . 2 . . . . 903 ASN HB2 . 15722 1 101 . 1 1 17 17 ASN HB3 H 1 3.714 0.01 . 2 . . . . 903 ASN HB3 . 15722 1 102 . 1 1 17 17 ASN C C 13 174.229 0.05 . 1 . . . . 903 ASN C . 15722 1 103 . 1 1 17 17 ASN CA C 13 48.725 0.05 . 1 . . . . 903 ASN CA . 15722 1 104 . 1 1 17 17 ASN CB C 13 35.64 0.05 . 1 . . . . 903 ASN CB . 15722 1 105 . 1 1 17 17 ASN N N 15 125.123 0.01 . 1 . . . . 903 ASN N . 15722 1 106 . 1 1 18 18 ASP H H 1 8.365 0.01 . 1 . . . . 904 ASP H . 15722 1 107 . 1 1 18 18 ASP HA H 1 4.383 0.01 . 1 . . . . 904 ASP HA . 15722 1 108 . 1 1 18 18 ASP HB2 H 1 2.881 0.01 . 2 . . . . 904 ASP HB2 . 15722 1 109 . 1 1 18 18 ASP HB3 H 1 2.881 0.01 . 2 . . . . 904 ASP HB3 . 15722 1 110 . 1 1 18 18 ASP C C 13 171.411 0.05 . 1 . . . . 904 ASP C . 15722 1 111 . 1 1 18 18 ASP CA C 13 53.601 0.05 . 1 . . . . 904 ASP CA . 15722 1 112 . 1 1 18 18 ASP CB C 13 37.084 0.05 . 1 . . . . 904 ASP CB . 15722 1 113 . 1 1 18 18 ASP N N 15 117.44 0.1 . 1 . . . . 904 ASP N . 15722 1 114 . 1 1 19 19 SER H H 1 7.216 0.01 . 1 . . . . 905 SER H . 15722 1 115 . 1 1 19 19 SER HA H 1 4.361 0.01 . 1 . . . . 905 SER HA . 15722 1 116 . 1 1 19 19 SER HB2 H 1 3.49 0.01 . 2 . . . . 905 SER HB2 . 15722 1 117 . 1 1 19 19 SER HB3 H 1 3.732 0.01 . 2 . . . . 905 SER HB3 . 15722 1 118 . 1 1 19 19 SER C C 13 172.350 0.05 . 1 . . . . 905 SER C . 15722 1 119 . 1 1 19 19 SER CA C 13 53.451 0.05 . 1 . . . . 905 SER CA . 15722 1 120 . 1 1 19 19 SER CB C 13 62.63 0.05 . 1 . . . . 905 SER CB . 15722 1 121 . 1 1 19 19 SER N N 15 110.38 0.1 . 1 . . . . 905 SER N . 15722 1 122 . 1 1 20 20 SER H H 1 8.037 0.01 . 1 . . . . 906 SER H . 15722 1 123 . 1 1 20 20 SER HB2 H 1 2.397 0.01 . 2 . . . . 906 SER HB2 . 15722 1 124 . 1 1 20 20 SER HB3 H 1 2.397 0.01 . 2 . . . . 906 SER HB3 . 15722 1 125 . 1 1 20 20 SER C C 13 172.335 0.05 . 1 . . . . 906 SER C . 15722 1 126 . 1 1 20 20 SER CA C 13 59.3 0.05 . 1 . . . . 906 SER CA . 15722 1 127 . 1 1 20 20 SER CB C 13 57.94 0.05 . 1 . . . . 906 SER CB . 15722 1 128 . 1 1 20 20 SER N N 15 117.96 0.1 . 1 . . . . 906 SER N . 15722 1 129 . 1 1 21 21 ASP H H 1 8.256 0.01 . 1 . . . . 907 ASP H . 15722 1 130 . 1 1 21 21 ASP HA H 1 4.176 0.01 . 1 . . . . 907 ASP HA . 15722 1 131 . 1 1 21 21 ASP HB2 H 1 2.454 0.01 . 2 . . . . 907 ASP HB2 . 15722 1 132 . 1 1 21 21 ASP HB3 H 1 2.454 0.01 . 2 . . . . 907 ASP HB3 . 15722 1 133 . 1 1 21 21 ASP C C 13 173.02 0.05 . 1 . . . . 907 ASP C . 15722 1 134 . 1 1 21 21 ASP CA C 13 52.384 0.05 . 1 . . . . 907 ASP CA . 15722 1 135 . 1 1 21 21 ASP CB C 13 36.542 0.05 . 1 . . . . 907 ASP CB . 15722 1 136 . 1 1 21 21 ASP N N 15 118.987 0.1 . 1 . . . . 907 ASP N . 15722 1 137 . 1 1 22 22 LYS H H 1 7.198 0.01 . 1 . . . . 908 LYS H . 15722 1 138 . 1 1 22 22 LYS HA H 1 4.414 0.01 . 1 . . . . 908 LYS HA . 15722 1 139 . 1 1 22 22 LYS HB2 H 1 1.142 0.01 . 2 . . . . 908 LYS HB2 . 15722 1 140 . 1 1 22 22 LYS HB3 H 1 1.142 0.01 . 2 . . . . 908 LYS HB3 . 15722 1 141 . 1 1 22 22 LYS HD2 H 1 1.502 0.01 . 2 . . . . 908 LYS HD2 . 15722 1 142 . 1 1 22 22 LYS HD3 H 1 1.502 0.01 . 2 . . . . 908 LYS HD3 . 15722 1 143 . 1 1 22 22 LYS HE2 H 1 2.424 0.01 . 2 . . . . 908 LYS HE2 . 15722 1 144 . 1 1 22 22 LYS HE3 H 1 2.424 0.01 . 2 . . . . 908 LYS HE3 . 15722 1 145 . 1 1 22 22 LYS HG2 H 1 1.057 0.01 . 2 . . . . 908 LYS HG2 . 15722 1 146 . 1 1 22 22 LYS HG3 H 1 1.057 0.01 . 2 . . . . 908 LYS HG3 . 15722 1 147 . 1 1 22 22 LYS C C 13 172.068 0.05 . 1 . . . . 908 LYS C . 15722 1 148 . 1 1 22 22 LYS CA C 13 51.964 0.05 . 1 . . . . 908 LYS CA . 15722 1 149 . 1 1 22 22 LYS CB C 13 29.902 0.05 . 1 . . . . 908 LYS CB . 15722 1 150 . 1 1 22 22 LYS CD C 13 26.155 0.05 . 1 . . . . 908 LYS CD . 15722 1 151 . 1 1 22 22 LYS CE C 13 39.603 0.05 . 1 . . . . 908 LYS CE . 15722 1 152 . 1 1 22 22 LYS CG C 13 22.199 0.05 . 1 . . . . 908 LYS CG . 15722 1 153 . 1 1 22 22 LYS N N 15 120.122 0.1 . 1 . . . . 908 LYS N . 15722 1 154 . 1 1 23 23 ALA H H 1 6.848 0.01 . 1 . . . . 909 ALA H . 15722 1 155 . 1 1 23 23 ALA HA H 1 3.85 0.01 . 1 . . . . 909 ALA HA . 15722 1 156 . 1 1 23 23 ALA HB1 H 1 1.243 0.01 . 1 . . . . 909 ALA MB . 15722 1 157 . 1 1 23 23 ALA HB2 H 1 1.243 0.01 . 1 . . . . 909 ALA MB . 15722 1 158 . 1 1 23 23 ALA HB3 H 1 1.243 0.01 . 1 . . . . 909 ALA MB . 15722 1 159 . 1 1 23 23 ALA C C 13 175.246 0.05 . 1 . . . . 909 ALA C . 15722 1 160 . 1 1 23 23 ALA CA C 13 49.934 0.05 . 1 . . . . 909 ALA CA . 15722 1 161 . 1 1 23 23 ALA CB C 13 16.858 0.05 . 1 . . . . 909 ALA CB . 15722 1 162 . 1 1 23 23 ALA N N 15 120.7 0.1 . 1 . . . . 909 ALA N . 15722 1 163 . 1 1 24 24 THR H H 1 9.152 0.01 . 1 . . . . 910 THR H . 15722 1 164 . 1 1 24 24 THR HA H 1 4.399 0.01 . 1 . . . . 910 THR HA . 15722 1 165 . 1 1 24 24 THR HB H 1 3.98 0.01 . 1 . . . . 910 THR HB . 15722 1 166 . 1 1 24 24 THR HG21 H 1 1.333 0.01 . 1 . . . . 910 THR MG . 15722 1 167 . 1 1 24 24 THR HG22 H 1 1.333 0.01 . 1 . . . . 910 THR MG . 15722 1 168 . 1 1 24 24 THR HG23 H 1 1.333 0.01 . 1 . . . . 910 THR MG . 15722 1 169 . 1 1 24 24 THR C C 13 171.133 0.01 . 1 . . . . 910 THR C . 15722 1 170 . 1 1 24 24 THR CA C 13 60.42 0.05 . 1 . . . . 910 THR CA . 15722 1 171 . 1 1 24 24 THR CB C 13 67.32 0.05 . 1 . . . . 910 THR CB . 15722 1 172 . 1 1 24 24 THR CG2 C 13 21.47 0.05 . 1 . . . . 910 THR CG2 . 15722 1 173 . 1 1 24 24 THR N N 15 121.1 0.1 . 1 . . . . 910 THR N . 15722 1 174 . 1 1 25 25 VAL H H 1 8.735 0.01 . 1 . . . . 911 VAL H . 15722 1 175 . 1 1 25 25 VAL HA H 1 3.977 0.01 . 1 . . . . 911 VAL HA . 15722 1 176 . 1 1 25 25 VAL HB H 1 1.852 0.01 . 1 . . . . 911 VAL HB . 15722 1 177 . 1 1 25 25 VAL HG11 H 1 0.639 0.01 . 2 . . . . 911 VAL MG1 . 15722 1 178 . 1 1 25 25 VAL HG12 H 1 0.639 0.01 . 2 . . . . 911 VAL MG1 . 15722 1 179 . 1 1 25 25 VAL HG13 H 1 0.639 0.01 . 2 . . . . 911 VAL MG1 . 15722 1 180 . 1 1 25 25 VAL HG21 H 1 0.883 0.01 . 2 . . . . 911 VAL MG2 . 15722 1 181 . 1 1 25 25 VAL HG22 H 1 0.883 0.01 . 2 . . . . 911 VAL MG2 . 15722 1 182 . 1 1 25 25 VAL HG23 H 1 0.883 0.01 . 2 . . . . 911 VAL MG2 . 15722 1 183 . 1 1 25 25 VAL CA C 13 60.904 0.05 . 1 . . . . 911 VAL CA . 15722 1 184 . 1 1 25 25 VAL CB C 13 29.984 0.05 . 1 . . . . 911 VAL CB . 15722 1 185 . 1 1 25 25 VAL CG1 C 13 19.708 0.05 . 2 . . . . 911 VAL CG1 . 15722 1 186 . 1 1 25 25 VAL CG2 C 13 19.708 0.05 . 2 . . . . 911 VAL CG2 . 15722 1 187 . 1 1 25 25 VAL N N 15 130.6 0.1 . 1 . . . . 911 VAL N . 15722 1 188 . 1 1 26 26 ILE H H 1 9.070 0.01 . 1 . . . . 912 ILE H . 15722 1 189 . 1 1 26 26 ILE HA H 1 4.525 0.01 . 1 . . . . 912 ILE HA . 15722 1 190 . 1 1 26 26 ILE HB H 1 2.037 0.01 . 1 . . . . 912 ILE HB . 15722 1 191 . 1 1 26 26 ILE HG12 H 1 1.330 0.01 . 2 . . . . 912 ILE HG12 . 15722 1 192 . 1 1 26 26 ILE HG13 H 1 1.330 0.01 . 2 . . . . 912 ILE HG13 . 15722 1 193 . 1 1 26 26 ILE HG21 H 1 0.478 0.01 . 1 . . . . 912 ILE MG . 15722 1 194 . 1 1 26 26 ILE HG22 H 1 0.478 0.01 . 1 . . . . 912 ILE MG . 15722 1 195 . 1 1 26 26 ILE HG23 H 1 0.478 0.01 . 1 . . . . 912 ILE MG . 15722 1 196 . 1 1 26 26 ILE CA C 13 56.252 0.05 . 1 . . . . 912 ILE CA . 15722 1 197 . 1 1 26 26 ILE CB C 13 35.375 0.05 . 1 . . . . 912 ILE CB . 15722 1 198 . 1 1 26 26 ILE N N 15 129 0.1 . 1 . . . . 912 ILE N . 15722 1 199 . 1 1 27 27 PRO HA H 1 4.705 0.01 . 1 . . . . 913 PRO HA . 15722 1 200 . 1 1 27 27 PRO HB2 H 1 2.170 0.01 . 2 . . . . 913 PRO HB2 . 15722 1 201 . 1 1 27 27 PRO HB3 H 1 1.854 0.01 . 2 . . . . 913 PRO HB3 . 15722 1 202 . 1 1 27 27 PRO HD2 H 1 3.50 0.01 . 2 . . . . 913 PRO HD2 . 15722 1 203 . 1 1 27 27 PRO HD3 H 1 3.50 0.01 . 2 . . . . 913 PRO HD3 . 15722 1 204 . 1 1 27 27 PRO C C 13 173.026 0.05 . 1 . . . . 913 PRO C . 15722 1 205 . 1 1 27 27 PRO CA C 13 61.943 0.05 . 1 . . . . 913 PRO CA . 15722 1 206 . 1 1 27 27 PRO CB C 13 29.901 0.05 . 1 . . . . 913 PRO CB . 15722 1 207 . 1 1 27 27 PRO CD C 13 48.361 0.05 . 1 . . . . 913 PRO CD . 15722 1 208 . 1 1 27 27 PRO CG C 13 24.637 0.05 . 1 . . . . 913 PRO CG . 15722 1 209 . 1 1 28 28 ASN H H 1 6.893 0.01 . 1 . . . . 914 ASN H . 15722 1 210 . 1 1 28 28 ASN HA H 1 4.473 0.01 . 1 . . . . 914 ASN HA . 15722 1 211 . 1 1 28 28 ASN HB2 H 1 2.186 0.01 . 2 . . . . 914 ASN HB2 . 15722 1 212 . 1 1 28 28 ASN HB3 H 1 2.186 0.01 . 2 . . . . 914 ASN HB3 . 15722 1 213 . 1 1 28 28 ASN C C 13 171.689 0.05 . 1 . . . . 914 ASN C . 15722 1 214 . 1 1 28 28 ASN CA C 13 49.013 0.05 . 1 . . . . 914 ASN CA . 15722 1 215 . 1 1 28 28 ASN CB C 13 37.815 0.05 . 1 . . . . 914 ASN CB . 15722 1 216 . 1 1 28 28 ASN N N 15 109.954 0.1 . 1 . . . . 914 ASN N . 15722 1 217 . 1 1 29 29 PHE H H 1 8.327 0.01 . 1 . . . . 915 PHE H . 15722 1 218 . 1 1 29 29 PHE HA H 1 4.742 0.01 . 1 . . . . 915 PHE HA . 15722 1 219 . 1 1 29 29 PHE HB2 H 1 2.745 0.01 . 2 . . . . 915 PHE HB2 . 15722 1 220 . 1 1 29 29 PHE HB3 H 1 2.745 0.01 . 2 . . . . 915 PHE HB3 . 15722 1 221 . 1 1 29 29 PHE C C 13 173.007 0.05 . 1 . . . . 915 PHE C . 15722 1 222 . 1 1 29 29 PHE CA C 13 55.215 0.05 . 1 . . . . 915 PHE CA . 15722 1 223 . 1 1 29 29 PHE CB C 13 35.987 0.05 . 1 . . . . 915 PHE CB . 15722 1 224 . 1 1 29 29 PHE N N 15 116.861 0.1 . 1 . . . . 915 PHE N . 15722 1 225 . 1 1 30 30 ASN H H 1 9.003 0.01 . 1 . . . . 916 ASN H . 15722 1 226 . 1 1 30 30 ASN HA H 1 4.717 0.01 . 1 . . . . 916 ASN HA . 15722 1 227 . 1 1 30 30 ASN HB2 H 1 2.636 0.01 . 2 . . . . 916 ASN HB2 . 15722 1 228 . 1 1 30 30 ASN HB3 H 1 2.834 0.01 . 2 . . . . 916 ASN HB3 . 15722 1 229 . 1 1 30 30 ASN C C 13 171.776 0.01 . 1 . . . . 916 ASN C . 15722 1 230 . 1 1 30 30 ASN CA C 13 51.022 0.05 . 1 . . . . 916 ASN CA . 15722 1 231 . 1 1 30 30 ASN CB C 13 35.916 0.05 . 1 . . . . 916 ASN CB . 15722 1 232 . 1 1 30 30 ASN N N 15 117.165 0.1 . 1 . . . . 916 ASN N . 15722 1 233 . 1 1 31 31 THR H H 1 7.708 0.01 . 1 . . . . 917 THR H . 15722 1 234 . 1 1 31 31 THR HA H 1 4.508 0.01 . 1 . . . . 917 THR HA . 15722 1 235 . 1 1 31 31 THR HB H 1 3.633 0.01 . 1 . . . . 917 THR HB . 15722 1 236 . 1 1 31 31 THR HG21 H 1 1.026 0.01 . 1 . . . . 917 THR MG . 15722 1 237 . 1 1 31 31 THR HG22 H 1 1.026 0.01 . 1 . . . . 917 THR MG . 15722 1 238 . 1 1 31 31 THR HG23 H 1 1.026 0.01 . 1 . . . . 917 THR MG . 15722 1 239 . 1 1 31 31 THR C C 13 173.503 0.01 . 1 . . . . 917 THR C . 15722 1 240 . 1 1 31 31 THR CA C 13 59.671 0.05 . 1 . . . . 917 THR CA . 15722 1 241 . 1 1 31 31 THR CB C 13 68.813 0.05 . 1 . . . . 917 THR CB . 15722 1 242 . 1 1 31 31 THR CG2 C 13 19.036 0.05 . 1 . . . . 917 THR CG2 . 15722 1 243 . 1 1 31 31 THR N N 15 114.664 0.1 . 1 . . . . 917 THR N . 15722 1 244 . 1 1 32 32 THR H H 1 8.936 0.01 . 1 . . . . 918 THR H . 15722 1 245 . 1 1 32 32 THR HA H 1 4.323 0.01 . 1 . . . . 918 THR HA . 15722 1 246 . 1 1 32 32 THR HB H 1 3.852 0.01 . 1 . . . . 918 THR HB . 15722 1 247 . 1 1 32 32 THR HG21 H 1 0.93 0.01 . 1 . . . . 918 THR MG . 15722 1 248 . 1 1 32 32 THR HG22 H 1 0.93 0.01 . 1 . . . . 918 THR MG . 15722 1 249 . 1 1 32 32 THR HG23 H 1 0.93 0.01 . 1 . . . . 918 THR MG . 15722 1 250 . 1 1 32 32 THR C C 13 171.976 0.01 . 1 . . . . 918 THR C . 15722 1 251 . 1 1 32 32 THR CA C 13 60.237 0.05 . 1 . . . . 918 THR CA . 15722 1 252 . 1 1 32 32 THR CB C 13 67.259 0.05 . 1 . . . . 918 THR CB . 15722 1 253 . 1 1 32 32 THR CG2 C 13 19.241 0.05 . 1 . . . . 918 THR CG2 . 15722 1 254 . 1 1 32 32 THR N N 15 124.903 0.1 . 1 . . . . 918 THR N . 15722 1 255 . 1 1 33 33 MET H H 1 9.226 0.01 . 1 . . . . 919 MET H . 15722 1 256 . 1 1 33 33 MET HA H 1 5.304 0.01 . 1 . . . . 919 MET HA . 15722 1 257 . 1 1 33 33 MET HB2 H 1 1.763 0.01 . 2 . . . . 919 MET HB2 . 15722 1 258 . 1 1 33 33 MET HB3 H 1 1.763 0.01 . 2 . . . . 919 MET HB3 . 15722 1 259 . 1 1 33 33 MET HE1 H 1 1.365 0.01 . 1 . . . . 919 MET ME . 15722 1 260 . 1 1 33 33 MET HE2 H 1 1.365 0.01 . 1 . . . . 919 MET ME . 15722 1 261 . 1 1 33 33 MET HE3 H 1 1.365 0.01 . 1 . . . . 919 MET ME . 15722 1 262 . 1 1 33 33 MET HG2 H 1 2.33 0.01 . 2 . . . . 919 MET HG2 . 15722 1 263 . 1 1 33 33 MET HG3 H 1 2.33 0.01 . 2 . . . . 919 MET HG3 . 15722 1 264 . 1 1 33 33 MET C C 13 174.813 0.05 . 1 . . . . 919 MET C . 15722 1 265 . 1 1 33 33 MET CA C 13 49.257 0.05 . 1 . . . . 919 MET CA . 15722 1 266 . 1 1 33 33 MET CB C 13 28.131 0.05 . 1 . . . . 919 MET CB . 15722 1 267 . 1 1 33 33 MET N N 15 124.97 0.1 . 1 . . . . 919 MET N . 15722 1 268 . 1 1 34 34 GLN H H 1 9.007 0.01 . 1 . . . . 920 GLN H . 15722 1 269 . 1 1 34 34 GLN HA H 1 4.584 0.01 . 1 . . . . 920 GLN HA . 15722 1 270 . 1 1 34 34 GLN HB2 H 1 2.133 0.01 . 2 . . . . 920 GLN HB2 . 15722 1 271 . 1 1 34 34 GLN HB3 H 1 1.946 0.01 . 2 . . . . 920 GLN HB3 . 15722 1 272 . 1 1 34 34 GLN C C 13 171.890 0.05 . 1 . . . . 920 GLN C . 15722 1 273 . 1 1 34 34 GLN CA C 13 52.333 0.05 . 1 . . . . 920 GLN CA . 15722 1 274 . 1 1 34 34 GLN CB C 13 28.82 0.05 . 1 . . . . 920 GLN CB . 15722 1 275 . 1 1 34 34 GLN CG C 13 31.893 0.05 . 1 . . . . 920 GLN CG . 15722 1 276 . 1 1 34 34 GLN N N 15 122.56 0.1 . 1 . . . . 920 GLN N . 15722 1 277 . 1 1 35 35 GLY H H 1 7.628 0.01 . 1 . . . . 921 GLY H . 15722 1 278 . 1 1 35 35 GLY HA2 H 1 4.525 0.01 . 2 . . . . 921 GLY HA2 . 15722 1 279 . 1 1 35 35 GLY HA3 H 1 4.525 0.01 . 2 . . . . 921 GLY HA3 . 15722 1 280 . 1 1 35 35 GLY C C 13 168.300 0.05 . 1 . . . . 921 GLY C . 15722 1 281 . 1 1 35 35 GLY CA C 13 41.366 0.05 . 1 . . . . 921 GLY CA . 15722 1 282 . 1 1 35 35 GLY N N 15 109.301 0.1 . 1 . . . . 921 GLY N . 15722 1 283 . 1 1 36 36 SER H H 1 8.854 0.01 . 1 . . . . 922 SER H . 15722 1 284 . 1 1 36 36 SER HA H 1 4.805 0.01 . 1 . . . . 922 SER HA . 15722 1 285 . 1 1 36 36 SER HB2 H 1 3.463 0.01 . 2 . . . . 922 SER HB2 . 15722 1 286 . 1 1 36 36 SER HB3 H 1 3.831 0.01 . 2 . . . . 922 SER HB3 . 15722 1 287 . 1 1 36 36 SER C C 13 173.136 0.01 . 1 . . . . 922 SER C . 15722 1 288 . 1 1 36 36 SER CA C 13 54.659 0.05 . 1 . . . . 922 SER CA . 15722 1 289 . 1 1 36 36 SER CB C 13 64.429 0.05 . 1 . . . . 922 SER CB . 15722 1 290 . 1 1 36 36 SER N N 15 112.501 0.1 . 1 . . . . 922 SER N . 15722 1 291 . 1 1 37 37 LEU H H 1 8.918 0.01 . 1 . . . . 923 LEU H . 15722 1 292 . 1 1 37 37 LEU HA H 1 4.86 0.01 . 1 . . . . 923 LEU HA . 15722 1 293 . 1 1 37 37 LEU HB2 H 1 1.655 0.01 . 2 . . . . 923 LEU HB2 . 15722 1 294 . 1 1 37 37 LEU HB3 H 1 1.655 0.01 . 2 . . . . 923 LEU HB3 . 15722 1 295 . 1 1 37 37 LEU HD11 H 1 0.45 0.01 . 2 . . . . 923 LEU MD1 . 15722 1 296 . 1 1 37 37 LEU HD12 H 1 0.45 0.01 . 2 . . . . 923 LEU MD1 . 15722 1 297 . 1 1 37 37 LEU HD13 H 1 0.45 0.01 . 2 . . . . 923 LEU MD1 . 15722 1 298 . 1 1 37 37 LEU HD21 H 1 0.45 0.01 . 2 . . . . 923 LEU MD2 . 15722 1 299 . 1 1 37 37 LEU HD22 H 1 0.45 0.01 . 2 . . . . 923 LEU MD2 . 15722 1 300 . 1 1 37 37 LEU HD23 H 1 0.45 0.01 . 2 . . . . 923 LEU MD2 . 15722 1 301 . 1 1 37 37 LEU HG H 1 0.689 0.01 . 1 . . . . 923 LEU HG . 15722 1 302 . 1 1 37 37 LEU C C 13 173.612 0.05 . 1 . . . . 923 LEU C . 15722 1 303 . 1 1 37 37 LEU CA C 13 51.5 0.05 . 1 . . . . 923 LEU CA . 15722 1 304 . 1 1 37 37 LEU CB C 13 41.309 0.05 . 1 . . . . 923 LEU CB . 15722 1 305 . 1 1 37 37 LEU CD1 C 13 26.859 0.05 . 2 . . . . 923 LEU CD1 . 15722 1 306 . 1 1 37 37 LEU CD2 C 13 25.919 0.05 . 2 . . . . 923 LEU CD2 . 15722 1 307 . 1 1 37 37 LEU CG C 13 22.973 0.05 . 1 . . . . 923 LEU CG . 15722 1 308 . 1 1 37 37 LEU N N 15 128.996 0.1 . 1 . . . . 923 LEU N . 15722 1 309 . 1 1 38 38 LEU H H 1 10.001 0.01 . 1 . . . . 924 LEU H . 15722 1 310 . 1 1 38 38 LEU HA H 1 4.699 0.01 . 1 . . . . 924 LEU HA . 15722 1 311 . 1 1 38 38 LEU HB2 H 1 1.391 0.01 . 2 . . . . 924 LEU HB2 . 15722 1 312 . 1 1 38 38 LEU HB3 H 1 1.391 0.01 . 2 . . . . 924 LEU HB3 . 15722 1 313 . 1 1 38 38 LEU CA C 13 50.74 0.05 . 1 . . . . 924 LEU CA . 15722 1 314 . 1 1 38 38 LEU CB C 13 39.022 0.05 . 1 . . . . 924 LEU CB . 15722 1 315 . 1 1 38 38 LEU N N 15 127.39 0.1 . 1 . . . . 924 LEU N . 15722 1 316 . 1 1 40 40 ASP HA H 1 4.342 0.01 . 1 . . . . 926 ASP HA . 15722 1 317 . 1 1 40 40 ASP HB2 H 1 2.726 0.01 . 2 . . . . 926 ASP HB2 . 15722 1 318 . 1 1 40 40 ASP HB3 H 1 2.505 0.01 . 2 . . . . 926 ASP HB3 . 15722 1 319 . 1 1 40 40 ASP C C 13 173.102 0.05 . 1 . . . . 926 ASP C . 15722 1 320 . 1 1 40 40 ASP CA C 13 52.247 0.05 . 1 . . . . 926 ASP CA . 15722 1 321 . 1 1 40 40 ASP CB C 13 37.726 0.05 . 1 . . . . 926 ASP CB . 15722 1 322 . 1 1 41 41 ASP H H 1 7.616 0.01 . 1 . . . . 927 ASP H . 15722 1 323 . 1 1 41 41 ASP HA H 1 4.791 0.01 . 1 . . . . 927 ASP HA . 15722 1 324 . 1 1 41 41 ASP HB2 H 1 3.015 0.01 . 2 . . . . 927 ASP HB2 . 15722 1 325 . 1 1 41 41 ASP HB3 H 1 2.429 0.01 . 2 . . . . 927 ASP HB3 . 15722 1 326 . 1 1 41 41 ASP C C 13 170.202 0.05 . 1 . . . . 927 ASP C . 15722 1 327 . 1 1 41 41 ASP CA C 13 51.283 0.05 . 1 . . . . 927 ASP CA . 15722 1 328 . 1 1 41 41 ASP CB C 13 37.854 0.05 . 1 . . . . 927 ASP CB . 15722 1 329 . 1 1 41 41 ASP N N 15 121.945 0.1 . 1 . . . . 927 ASP N . 15722 1 330 . 1 1 42 42 SER H H 1 8.640 0.1 . 1 . . . . 928 SER H . 15722 1 331 . 1 1 42 42 SER HA H 1 4.512 0.01 . 1 . . . . 928 SER HA . 15722 1 332 . 1 1 42 42 SER HB2 H 1 3.977 0.01 . 2 . . . . 928 SER HB2 . 15722 1 333 . 1 1 42 42 SER HB3 H 1 3.701 0.01 . 2 . . . . 928 SER HB3 . 15722 1 334 . 1 1 42 42 SER C C 13 171.990 0.05 . 1 . . . . 928 SER C . 15722 1 335 . 1 1 42 42 SER CA C 13 55.548 0.05 . 1 . . . . 928 SER CA . 15722 1 336 . 1 1 42 42 SER CB C 13 62.64 0.05 . 1 . . . . 928 SER CB . 15722 1 337 . 1 1 42 42 SER N N 15 118.056 0.1 . 1 . . . . 928 SER N . 15722 1 338 . 1 1 43 43 ARG H H 1 7.610 0.01 . 1 . . . . 929 ARG H . 15722 1 339 . 1 1 43 43 ARG HA H 1 5.021 0.01 . 1 . . . . 929 ARG HA . 15722 1 340 . 1 1 43 43 ARG HB2 H 1 1.655 0.01 . 2 . . . . 929 ARG HB2 . 15722 1 341 . 1 1 43 43 ARG HB3 H 1 1.502 0.01 . 2 . . . . 929 ARG HB3 . 15722 1 342 . 1 1 43 43 ARG HD2 H 1 3.092 0.01 . 2 . . . . 929 ARG HD2 . 15722 1 343 . 1 1 43 43 ARG HD3 H 1 3.092 0.01 . 2 . . . . 929 ARG HD3 . 15722 1 344 . 1 1 43 43 ARG HG2 H 1 2.50 0.01 . 2 . . . . 929 ARG HG2 . 15722 1 345 . 1 1 43 43 ARG HG3 H 1 2.50 0.01 . 2 . . . . 929 ARG HG3 . 15722 1 346 . 1 1 43 43 ARG C C 13 171.995 0.05 . 1 . . . . 929 ARG C . 15722 1 347 . 1 1 43 43 ARG CA C 13 52.247 0.05 . 1 . . . . 929 ARG CA . 15722 1 348 . 1 1 43 43 ARG CB C 13 31.354 0.05 . 1 . . . . 929 ARG CB . 15722 1 349 . 1 1 43 43 ARG CD C 13 41.016 0.05 . 1 . . . . 929 ARG CD . 15722 1 350 . 1 1 43 43 ARG CG C 13 24.213 0.05 . 1 . . . . 929 ARG CG . 15722 1 351 . 1 1 43 43 ARG N N 15 118.995 0.1 . 1 . . . . 929 ARG N . 15722 1 352 . 1 1 44 44 ASP H H 1 9.658 0.01 . 1 . . . . 930 ASP H . 15722 1 353 . 1 1 44 44 ASP HA H 1 4.678 0.01 . 1 . . . . 930 ASP HA . 15722 1 354 . 1 1 44 44 ASP HB2 H 1 2.773 0.01 . 2 . . . . 930 ASP HB2 . 15722 1 355 . 1 1 44 44 ASP HB3 H 1 2.303 0.01 . 2 . . . . 930 ASP HB3 . 15722 1 356 . 1 1 44 44 ASP C C 13 170.020 0.05 . 1 . . . . 930 ASP C . 15722 1 357 . 1 1 44 44 ASP CA C 13 50.149 0.05 . 1 . . . . 930 ASP CA . 15722 1 358 . 1 1 44 44 ASP CB C 13 40.652 0.05 . 1 . . . . 930 ASP CB . 15722 1 359 . 1 1 44 44 ASP N N 15 127.057 0.1 . 1 . . . . 930 ASP N . 15722 1 360 . 1 1 45 45 TYR H H 1 8.626 0.01 . 1 . . . . 931 TYR H . 15722 1 361 . 1 1 45 45 TYR HA H 1 5.141 0.01 . 1 . . . . 931 TYR HA . 15722 1 362 . 1 1 45 45 TYR HB2 H 1 2.906 0.01 . 2 . . . . 931 TYR HB2 . 15722 1 363 . 1 1 45 45 TYR HB3 H 1 2.379 0.01 . 2 . . . . 931 TYR HB3 . 15722 1 364 . 1 1 45 45 TYR HD1 H 1 6.436 0.01 . 3 . . . . 931 TYR HD1 . 15722 1 365 . 1 1 45 45 TYR HE1 H 1 6.798 0.01 . 3 . . . . 931 TYR HE1 . 15722 1 366 . 1 1 45 45 TYR C C 13 173.156 0.05 . 1 . . . . 931 TYR C . 15722 1 367 . 1 1 45 45 TYR CA C 13 56.448 0.05 . 1 . . . . 931 TYR CA . 15722 1 368 . 1 1 45 45 TYR CB C 13 36.748 0.05 . 1 . . . . 931 TYR CB . 15722 1 369 . 1 1 45 45 TYR N N 15 120.936 0.1 . 1 . . . . 931 TYR N . 15722 1 370 . 1 1 46 46 TYR H H 1 9.422 0.1 . 1 . . . . 932 TYR H . 15722 1 371 . 1 1 46 46 TYR HA H 1 5.875 0.01 . 1 . . . . 932 TYR HA . 15722 1 372 . 1 1 46 46 TYR HB2 H 1 3.091 0.01 . 2 . . . . 932 TYR HB2 . 15722 1 373 . 1 1 46 46 TYR HB3 H 1 2.782 0.01 . 2 . . . . 932 TYR HB3 . 15722 1 374 . 1 1 46 46 TYR HD1 H 1 6.786 0.01 . 3 . . . . 932 TYR HD1 . 15722 1 375 . 1 1 46 46 TYR HE1 H 1 6.964 0.01 . 3 . . . . 932 TYR HE1 . 15722 1 376 . 1 1 46 46 TYR C C 13 173.312 0.05 . 1 . . . . 932 TYR C . 15722 1 377 . 1 1 46 46 TYR CA C 13 53.629 0.05 . 1 . . . . 932 TYR CA . 15722 1 378 . 1 1 46 46 TYR CB C 13 40.307 0.05 . 1 . . . . 932 TYR CB . 15722 1 379 . 1 1 46 46 TYR N N 15 117.658 0.1 . 1 . . . . 932 TYR N . 15722 1 380 . 1 1 47 47 SER H H 1 8.861 0.01 . 1 . . . . 933 SER H . 15722 1 381 . 1 1 47 47 SER HA H 1 5.638 0.01 . 1 . . . . 933 SER HA . 15722 1 382 . 1 1 47 47 SER HB2 H 1 3.41 0.01 . 2 . . . . 933 SER HB2 . 15722 1 383 . 1 1 47 47 SER HB3 H 1 3.309 0.01 . 2 . . . . 933 SER HB3 . 15722 1 384 . 1 1 47 47 SER C C 13 169.40 0.01 . 1 . . . . 933 SER C . 15722 1 385 . 1 1 47 47 SER CA C 13 53.307 0.05 . 1 . . . . 933 SER CA . 15722 1 386 . 1 1 47 47 SER CB C 13 64.305 0.05 . 1 . . . . 933 SER CB . 15722 1 387 . 1 1 47 47 SER N N 15 115.586 0.1 . 1 . . . . 933 SER N . 15722 1 388 . 1 1 48 48 PHE H H 1 8.241 0.1 . 1 . . . . 934 PHE H . 15722 1 389 . 1 1 48 48 PHE HA H 1 4.978 0.01 . 1 . . . . 934 PHE HA . 15722 1 390 . 1 1 48 48 PHE HB2 H 1 3.062 0.01 . 2 . . . . 934 PHE HB2 . 15722 1 391 . 1 1 48 48 PHE HB3 H 1 2.892 0.01 . 2 . . . . 934 PHE HB3 . 15722 1 392 . 1 1 48 48 PHE HD1 H 1 6.486 0.01 . 3 . . . . 934 PHE HD1 . 15722 1 393 . 1 1 48 48 PHE HE1 H 1 6.751 0.01 . 3 . . . . 934 PHE HE1 . 15722 1 394 . 1 1 48 48 PHE C C 13 169.481 0.05 . 1 . . . . 934 PHE C . 15722 1 395 . 1 1 48 48 PHE CA C 13 53.636 0.05 . 1 . . . . 934 PHE CA . 15722 1 396 . 1 1 48 48 PHE CB C 13 38.722 0.05 . 1 . . . . 934 PHE CB . 15722 1 397 . 1 1 48 48 PHE N N 15 114.245 0.1 . 1 . . . . 934 PHE N . 15722 1 398 . 1 1 49 49 GLU H H 1 8.293 0.01 . 1 . . . . 935 GLU H . 15722 1 399 . 1 1 49 49 GLU HA H 1 5.034 0.01 . 1 . . . . 935 GLU HA . 15722 1 400 . 1 1 49 49 GLU HB2 H 1 1.719 0.01 . 2 . . . . 935 GLU HB2 . 15722 1 401 . 1 1 49 49 GLU HB3 H 1 1.719 0.01 . 2 . . . . 935 GLU HB3 . 15722 1 402 . 1 1 49 49 GLU HG2 H 1 1.974 0.01 . 2 . . . . 935 GLU HG2 . 15722 1 403 . 1 1 49 49 GLU HG3 H 1 1.974 0.01 . 2 . . . . 935 GLU HG3 . 15722 1 404 . 1 1 49 49 GLU C C 13 172.711 0.05 . 1 . . . . 935 GLU C . 15722 1 405 . 1 1 49 49 GLU CA C 13 51.797 0.05 . 1 . . . . 935 GLU CA . 15722 1 406 . 1 1 49 49 GLU CB C 13 30.229 0.05 . 1 . . . . 935 GLU CB . 15722 1 407 . 1 1 49 49 GLU CG C 13 33.830 0.05 . 1 . . . . 935 GLU CG . 15722 1 408 . 1 1 49 49 GLU N N 15 119.015 0.1 . 1 . . . . 935 GLU N . 15722 1 409 . 1 1 50 50 VAL H H 1 9.092 0.01 . 1 . . . . 936 VAL H . 15722 1 410 . 1 1 50 50 VAL HA H 1 4.663 0.01 . 1 . . . . 936 VAL HA . 15722 1 411 . 1 1 50 50 VAL HB H 1 2.236 0.01 . 1 . . . . 936 VAL HB . 15722 1 412 . 1 1 50 50 VAL HG11 H 1 1.321 0.01 . 2 . . . . 936 VAL MG1 . 15722 1 413 . 1 1 50 50 VAL HG12 H 1 1.321 0.01 . 2 . . . . 936 VAL MG1 . 15722 1 414 . 1 1 50 50 VAL HG13 H 1 1.321 0.01 . 2 . . . . 936 VAL MG1 . 15722 1 415 . 1 1 50 50 VAL HG21 H 1 1.081 0.01 . 2 . . . . 936 VAL MG2 . 15722 1 416 . 1 1 50 50 VAL HG22 H 1 1.081 0.01 . 2 . . . . 936 VAL MG2 . 15722 1 417 . 1 1 50 50 VAL HG23 H 1 1.081 0.01 . 2 . . . . 936 VAL MG2 . 15722 1 418 . 1 1 50 50 VAL CA C 13 59.139 0.05 . 1 . . . . 936 VAL CA . 15722 1 419 . 1 1 50 50 VAL CB C 13 31.268 0.05 . 1 . . . . 936 VAL CB . 15722 1 420 . 1 1 50 50 VAL N N 15 123.894 0.1 . 1 . . . . 936 VAL N . 15722 1 421 . 1 1 51 51 LYS HA H 1 4.368 0.01 . 1 . . . . 937 LYS HA . 15722 1 422 . 1 1 51 51 LYS HB2 H 1 1.793 0.01 . 2 . . . . 937 LYS HB2 . 15722 1 423 . 1 1 51 51 LYS HB3 H 1 1.793 0.01 . 2 . . . . 937 LYS HB3 . 15722 1 424 . 1 1 51 51 LYS HD2 H 1 1.541 0.01 . 2 . . . . 937 LYS HD2 . 15722 1 425 . 1 1 51 51 LYS HD3 H 1 1.541 0.01 . 2 . . . . 937 LYS HD3 . 15722 1 426 . 1 1 51 51 LYS HE2 H 1 2.847 0.01 . 2 . . . . 937 LYS HE2 . 15722 1 427 . 1 1 51 51 LYS HE3 H 1 2.847 0.01 . 2 . . . . 937 LYS HE3 . 15722 1 428 . 1 1 51 51 LYS HG2 H 1 1.309 0.01 . 2 . . . . 937 LYS HG2 . 15722 1 429 . 1 1 51 51 LYS HG3 H 1 1.309 0.01 . 2 . . . . 937 LYS HG3 . 15722 1 430 . 1 1 51 51 LYS CA C 13 54.099 0.05 . 1 . . . . 937 LYS CA . 15722 1 431 . 1 1 51 51 LYS CB C 13 30.737 0.05 . 1 . . . . 937 LYS CB . 15722 1 432 . 1 1 51 51 LYS CD C 13 25.784 0.05 . 1 . . . . 937 LYS CD . 15722 1 433 . 1 1 51 51 LYS CG C 13 22.145 0.05 . 1 . . . . 937 LYS CG . 15722 1 434 . 1 1 52 52 GLU H H 1 7.462 0.01 . 1 . . . . 938 GLU H . 15722 1 435 . 1 1 52 52 GLU HA H 1 4.435 0.01 . 1 . . . . 938 GLU HA . 15722 1 436 . 1 1 52 52 GLU HB2 H 1 1.849 0.01 . 2 . . . . 938 GLU HB2 . 15722 1 437 . 1 1 52 52 GLU HB3 H 1 1.697 0.01 . 2 . . . . 938 GLU HB3 . 15722 1 438 . 1 1 52 52 GLU C C 13 171.764 0.05 . 1 . . . . 938 GLU C . 15722 1 439 . 1 1 52 52 GLU CA C 13 51.83 0.05 . 1 . . . . 938 GLU CA . 15722 1 440 . 1 1 52 52 GLU CB C 13 29.692 0.05 . 1 . . . . 938 GLU CB . 15722 1 441 . 1 1 52 52 GLU CG C 13 32.918 0.05 . 1 . . . . 938 GLU CG . 15722 1 442 . 1 1 52 52 GLU N N 15 117.946 0.1 . 1 . . . . 938 GLU N . 15722 1 443 . 1 1 53 53 GLU H H 1 8.807 0.01 . 1 . . . . 939 GLU H . 15722 1 444 . 1 1 53 53 GLU HA H 1 4.504 0.01 . 1 . . . . 939 GLU HA . 15722 1 445 . 1 1 53 53 GLU HB2 H 1 1.918 0.01 . 2 . . . . 939 GLU HB2 . 15722 1 446 . 1 1 53 53 GLU HB3 H 1 1.918 0.01 . 2 . . . . 939 GLU HB3 . 15722 1 447 . 1 1 53 53 GLU HG2 H 1 1.954 0.01 . 2 . . . . 939 GLU HG2 . 15722 1 448 . 1 1 53 53 GLU HG3 H 1 1.954 0.01 . 2 . . . . 939 GLU HG3 . 15722 1 449 . 1 1 53 53 GLU C C 13 173.641 0.05 . 1 . . . . 939 GLU C . 15722 1 450 . 1 1 53 53 GLU CA C 13 53.297 0.05 . 1 . . . . 939 GLU CA . 15722 1 451 . 1 1 53 53 GLU CB C 13 27.671 0.05 . 1 . . . . 939 GLU CB . 15722 1 452 . 1 1 53 53 GLU CG C 13 33.024 0.05 . 1 . . . . 939 GLU CG . 15722 1 453 . 1 1 53 53 GLU N N 15 123.812 0.1 . 1 . . . . 939 GLU N . 15722 1 454 . 1 1 54 54 GLY H H 1 7.993 0.01 . 1 . . . . 940 GLY H . 15722 1 455 . 1 1 54 54 GLY HA2 H 1 4.067 0.01 . 2 . . . . 940 GLY HA2 . 15722 1 456 . 1 1 54 54 GLY HA3 H 1 3.897 0.01 . 2 . . . . 940 GLY HA3 . 15722 1 457 . 1 1 54 54 GLY C C 13 168.641 0.05 . 1 . . . . 940 GLY C . 15722 1 458 . 1 1 54 54 GLY CA C 13 42.323 0.01 . 1 . . . . 940 GLY CA . 15722 1 459 . 1 1 54 54 GLY N N 15 110.65 0.1 . 1 . . . . 940 GLY N . 15722 1 460 . 1 1 55 55 GLU H H 1 8.547 0.01 . 1 . . . . 941 GLU H . 15722 1 461 . 1 1 55 55 GLU HA H 1 4.464 0.01 . 1 . . . . 941 GLU HA . 15722 1 462 . 1 1 55 55 GLU HB2 H 1 1.675 0.01 . 2 . . . . 941 GLU HB2 . 15722 1 463 . 1 1 55 55 GLU HB3 H 1 1.675 0.01 . 2 . . . . 941 GLU HB3 . 15722 1 464 . 1 1 55 55 GLU HG2 H 1 1.784 0.01 . 2 . . . . 941 GLU HG2 . 15722 1 465 . 1 1 55 55 GLU HG3 H 1 1.784 0.01 . 2 . . . . 941 GLU HG3 . 15722 1 466 . 1 1 55 55 GLU C C 13 173.171 0.05 . 1 . . . . 941 GLU C . 15722 1 467 . 1 1 55 55 GLU CA C 13 53.779 0.05 . 1 . . . . 941 GLU CA . 15722 1 468 . 1 1 55 55 GLU CB C 13 28.68 0.05 . 1 . . . . 941 GLU CB . 15722 1 469 . 1 1 55 55 GLU CG C 13 35.057 0.05 . 1 . . . . 941 GLU CG . 15722 1 470 . 1 1 55 55 GLU N N 15 120.733 0.1 . 1 . . . . 941 GLU N . 15722 1 471 . 1 1 56 56 VAL H H 1 8.755 0.01 . 1 . . . . 942 VAL H . 15722 1 472 . 1 1 56 56 VAL HA H 1 4.446 0.01 . 1 . . . . 942 VAL HA . 15722 1 473 . 1 1 56 56 VAL HB H 1 1.626 0.01 . 1 . . . . 942 VAL HB . 15722 1 474 . 1 1 56 56 VAL HG11 H 1 0.547 0.01 . 2 . . . . 942 VAL MG1 . 15722 1 475 . 1 1 56 56 VAL HG12 H 1 0.547 0.01 . 2 . . . . 942 VAL MG1 . 15722 1 476 . 1 1 56 56 VAL HG13 H 1 0.547 0.01 . 2 . . . . 942 VAL MG1 . 15722 1 477 . 1 1 56 56 VAL HG21 H 1 0.360 0.01 . 2 . . . . 942 VAL MG2 . 15722 1 478 . 1 1 56 56 VAL HG22 H 1 0.360 0.01 . 2 . . . . 942 VAL MG2 . 15722 1 479 . 1 1 56 56 VAL HG23 H 1 0.360 0.01 . 2 . . . . 942 VAL MG2 . 15722 1 480 . 1 1 56 56 VAL C C 13 170.838 0.05 . 1 . . . . 942 VAL C . 15722 1 481 . 1 1 56 56 VAL CA C 13 57.384 0.05 . 1 . . . . 942 VAL CA . 15722 1 482 . 1 1 56 56 VAL CB C 13 31.549 0.05 . 1 . . . . 942 VAL CB . 15722 1 483 . 1 1 56 56 VAL CG1 C 13 18.150 0.05 . 2 . . . . 942 VAL CG1 . 15722 1 484 . 1 1 56 56 VAL CG2 C 13 17.780 0.05 . 2 . . . . 942 VAL CG2 . 15722 1 485 . 1 1 56 56 VAL N N 15 122.893 0.05 . 1 . . . . 942 VAL N . 15722 1 486 . 1 1 57 57 ASN H H 1 8.745 0.01 . 1 . . . . 943 ASN H . 15722 1 487 . 1 1 57 57 ASN HA H 1 5.028 0.01 . 1 . . . . 943 ASN HA . 15722 1 488 . 1 1 57 57 ASN HB2 H 1 2.550 0.01 . 2 . . . . 943 ASN HB2 . 15722 1 489 . 1 1 57 57 ASN HB3 H 1 2.389 0.01 . 2 . . . . 943 ASN HB3 . 15722 1 490 . 1 1 57 57 ASN C C 13 171.218 0.05 . 1 . . . . 943 ASN C . 15722 1 491 . 1 1 57 57 ASN CA C 13 49.352 0.05 . 1 . . . . 943 ASN CA . 15722 1 492 . 1 1 57 57 ASN CB C 13 38.558 0.05 . 1 . . . . 943 ASN CB . 15722 1 493 . 1 1 57 57 ASN N N 15 122.909 0.1 . 1 . . . . 943 ASN N . 15722 1 494 . 1 1 58 58 ILE H H 1 8.467 0.01 . 1 . . . . 944 ILE H . 15722 1 495 . 1 1 58 58 ILE HA H 1 4.093 0.01 . 1 . . . . 944 ILE HA . 15722 1 496 . 1 1 58 58 ILE HB H 1 1.28 0.01 . 1 . . . . 944 ILE HB . 15722 1 497 . 1 1 58 58 ILE HG21 H 1 0.299 0.01 . 1 . . . . 944 ILE MG . 15722 1 498 . 1 1 58 58 ILE HG22 H 1 0.299 0.01 . 1 . . . . 944 ILE MG . 15722 1 499 . 1 1 58 58 ILE HG23 H 1 0.299 0.01 . 1 . . . . 944 ILE MG . 15722 1 500 . 1 1 58 58 ILE C C 13 171.219 0.05 . 1 . . . . 944 ILE C . 15722 1 501 . 1 1 58 58 ILE CA C 13 58.486 0.05 . 1 . . . . 944 ILE CA . 15722 1 502 . 1 1 58 58 ILE CB C 13 35.898 0.05 . 1 . . . . 944 ILE CB . 15722 1 503 . 1 1 58 58 ILE CD1 C 13 12.111 0.05 . 1 . . . . 944 ILE CD2 . 15722 1 504 . 1 1 58 58 ILE CG2 C 13 14.13 0.05 . 1 . . . . 944 ILE CG2 . 15722 1 505 . 1 1 58 58 ILE N N 15 126.083 0.1 . 1 . . . . 944 ILE N . 15722 1 506 . 1 1 59 59 GLU H H 1 8.460 0.01 . 1 . . . . 945 GLU H . 15722 1 507 . 1 1 59 59 GLU HA H 1 4.655 0.01 . 1 . . . . 945 GLU HA . 15722 1 508 . 1 1 59 59 GLU HB2 H 1 1.697 0.01 . 2 . . . . 945 GLU HB2 . 15722 1 509 . 1 1 59 59 GLU HB3 H 1 1.697 0.01 . 2 . . . . 945 GLU HB3 . 15722 1 510 . 1 1 59 59 GLU HG2 H 1 1.944 0.01 . 2 . . . . 945 GLU HG2 . 15722 1 511 . 1 1 59 59 GLU HG3 H 1 1.944 0.01 . 2 . . . . 945 GLU HG3 . 15722 1 512 . 1 1 59 59 GLU C C 13 170.314 0.05 . 1 . . . . 945 GLU C . 15722 1 513 . 1 1 59 59 GLU CA C 13 52.556 0.05 . 1 . . . . 945 GLU CA . 15722 1 514 . 1 1 59 59 GLU CB C 13 31.183 0.05 . 1 . . . . 945 GLU CB . 15722 1 515 . 1 1 59 59 GLU CG C 13 33.883 0.05 . 1 . . . . 945 GLU CG . 15722 1 516 . 1 1 59 59 GLU N N 15 124.77 0.01 . 1 . . . . 945 GLU N . 15722 1 517 . 1 1 60 60 LEU H H 1 8.571 0.01 . 1 . . . . 946 LEU H . 15722 1 518 . 1 1 60 60 LEU HA H 1 5.185 0.01 . 1 . . . . 946 LEU HA . 15722 1 519 . 1 1 60 60 LEU HB2 H 1 1.293 0.01 . 2 . . . . 946 LEU HB2 . 15722 1 520 . 1 1 60 60 LEU HB3 H 1 1.293 0.01 . 2 . . . . 946 LEU HB3 . 15722 1 521 . 1 1 60 60 LEU HD11 H 1 0.552 0.01 . 2 . . . . 946 LEU MD1 . 15722 1 522 . 1 1 60 60 LEU HD12 H 1 0.552 0.01 . 2 . . . . 946 LEU MD1 . 15722 1 523 . 1 1 60 60 LEU HD13 H 1 0.552 0.01 . 2 . . . . 946 LEU MD1 . 15722 1 524 . 1 1 60 60 LEU HD21 H 1 0.379 0.01 . 2 . . . . 946 LEU MD2 . 15722 1 525 . 1 1 60 60 LEU HD22 H 1 0.379 0.01 . 2 . . . . 946 LEU MD2 . 15722 1 526 . 1 1 60 60 LEU HD23 H 1 0.379 0.01 . 2 . . . . 946 LEU MD2 . 15722 1 527 . 1 1 60 60 LEU HG H 1 2.116 0.01 . 1 . . . . 946 LEU HG . 15722 1 528 . 1 1 60 60 LEU C C 13 171.369 0.05 . 1 . . . . 946 LEU C . 15722 1 529 . 1 1 60 60 LEU CA C 13 50.874 0.05 . 1 . . . . 946 LEU CA . 15722 1 530 . 1 1 60 60 LEU CB C 13 42.144 0.05 . 1 . . . . 946 LEU CB . 15722 1 531 . 1 1 60 60 LEU CD1 C 13 23.495 0.05 . 2 . . . . 946 LEU CD1 . 15722 1 532 . 1 1 60 60 LEU CD2 C 13 23.495 0.05 . 2 . . . . 946 LEU CD2 . 15722 1 533 . 1 1 60 60 LEU CG C 13 27.199 0.05 . 1 . . . . 946 LEU CG . 15722 1 534 . 1 1 60 60 LEU N N 15 129.087 0.1 . 1 . . . . 946 LEU N . 15722 1 535 . 1 1 61 61 ASP H H 1 9.458 0.01 . 1 . . . . 947 ASP H . 15722 1 536 . 1 1 61 61 ASP HA H 1 4.183 0.01 . 1 . . . . 947 ASP HA . 15722 1 537 . 1 1 61 61 ASP HB2 H 1 2.559 0.01 . 2 . . . . 947 ASP HB2 . 15722 1 538 . 1 1 61 61 ASP HB3 H 1 2.369 0.01 . 2 . . . . 947 ASP HB3 . 15722 1 539 . 1 1 61 61 ASP C C 13 170.491 0.05 . 1 . . . . 947 ASP C . 15722 1 540 . 1 1 61 61 ASP CA C 13 50.34 0.05 . 1 . . . . 947 ASP CA . 15722 1 541 . 1 1 61 61 ASP CB C 13 40.756 0.05 . 1 . . . . 947 ASP CB . 15722 1 542 . 1 1 61 61 ASP N N 15 127.634 0.1 . 1 . . . . 947 ASP N . 15722 1 543 . 1 1 62 62 LYS H H 1 8.833 0.01 . 1 . . . . 948 LYS H . 15722 1 544 . 1 1 62 62 LYS HA H 1 4.199 0.01 . 1 . . . . 948 LYS HA . 15722 1 545 . 1 1 62 62 LYS HB2 H 1 1.921 0.01 . 2 . . . . 948 LYS HB2 . 15722 1 546 . 1 1 62 62 LYS HB3 H 1 1.921 0.01 . 2 . . . . 948 LYS HB3 . 15722 1 547 . 1 1 62 62 LYS HD2 H 1 2.160 0.01 . 2 . . . . 948 LYS HD2 . 15722 1 548 . 1 1 62 62 LYS HD3 H 1 2.160 0.01 . 2 . . . . 948 LYS HD3 . 15722 1 549 . 1 1 62 62 LYS HE2 H 1 2.656 0.01 . 2 . . . . 948 LYS HE2 . 15722 1 550 . 1 1 62 62 LYS HE3 H 1 2.656 0.01 . 2 . . . . 948 LYS HE3 . 15722 1 551 . 1 1 62 62 LYS HG2 H 1 1.521 0.01 . 2 . . . . 948 LYS HG2 . 15722 1 552 . 1 1 62 62 LYS HG3 H 1 1.521 0.01 . 2 . . . . 948 LYS HG3 . 15722 1 553 . 1 1 62 62 LYS C C 13 173.940 0.05 . 1 . . . . 948 LYS C . 15722 1 554 . 1 1 62 62 LYS CA C 13 54.908 0.01 . 1 . . . . 948 LYS CA . 15722 1 555 . 1 1 62 62 LYS CB C 13 33.507 0.01 . 1 . . . . 948 LYS CB . 15722 1 556 . 1 1 62 62 LYS CD C 13 29.253 0.05 . 1 . . . . 948 LYS CD . 15722 1 557 . 1 1 62 62 LYS CE C 13 39.090 0.05 . 1 . . . . 948 LYS CE . 15722 1 558 . 1 1 62 62 LYS CG C 13 27.867 0.05 . 1 . . . . 948 LYS CG . 15722 1 559 . 1 1 62 62 LYS N N 15 124.7 0.1 . 1 . . . . 948 LYS N . 15722 1 560 . 1 1 63 63 LYS H H 1 8.285 0.01 . 1 . . . . 949 LYS H . 15722 1 561 . 1 1 63 63 LYS HA H 1 4.306 0.01 . 1 . . . . 949 LYS HA . 15722 1 562 . 1 1 63 63 LYS HB2 H 1 1.895 0.01 . 2 . . . . 949 LYS HB2 . 15722 1 563 . 1 1 63 63 LYS HB3 H 1 1.360 0.01 . 2 . . . . 949 LYS HB3 . 15722 1 564 . 1 1 63 63 LYS HD2 H 1 1.554 0.01 . 2 . . . . 949 LYS HD2 . 15722 1 565 . 1 1 63 63 LYS HD3 H 1 1.554 0.01 . 2 . . . . 949 LYS HD3 . 15722 1 566 . 1 1 63 63 LYS HE2 H 1 2.512 0.01 . 2 . . . . 949 LYS HE2 . 15722 1 567 . 1 1 63 63 LYS HE3 H 1 2.512 0.01 . 2 . . . . 949 LYS HE3 . 15722 1 568 . 1 1 63 63 LYS HG2 H 1 1.184 0.01 . 2 . . . . 949 LYS HG2 . 15722 1 569 . 1 1 63 63 LYS HG3 H 1 1.184 0.01 . 2 . . . . 949 LYS HG3 . 15722 1 570 . 1 1 63 63 LYS C C 13 172.088 0.05 . 1 . . . . 949 LYS C . 15722 1 571 . 1 1 63 63 LYS CA C 13 51.971 0.05 . 1 . . . . 949 LYS CA . 15722 1 572 . 1 1 63 63 LYS CB C 13 28.256 0.05 . 1 . . . . 949 LYS CB . 15722 1 573 . 1 1 63 63 LYS CD C 13 24.390 0.05 . 1 . . . . 949 LYS CD . 15722 1 574 . 1 1 63 63 LYS CE C 13 38.949 0.05 . 1 . . . . 949 LYS CE . 15722 1 575 . 1 1 63 63 LYS CG C 13 20.974 0.05 . 1 . . . . 949 LYS CG . 15722 1 576 . 1 1 63 63 LYS N N 15 122.522 0.1 . 1 . . . . 949 LYS N . 15722 1 577 . 1 1 64 64 ASP H H 1 7.556 0.01 . 1 . . . . 950 ASP H . 15722 1 578 . 1 1 64 64 ASP HA H 1 4.797 0.01 . 1 . . . . 950 ASP HA . 15722 1 579 . 1 1 64 64 ASP HB2 H 1 2.932 0.01 . 2 . . . . 950 ASP HB2 . 15722 1 580 . 1 1 64 64 ASP HB3 H 1 2.692 0.01 . 2 . . . . 950 ASP HB3 . 15722 1 581 . 1 1 64 64 ASP C C 13 171.566 0.05 . 1 . . . . 950 ASP C . 15722 1 582 . 1 1 64 64 ASP CA C 13 49.671 0.01 . 1 . . . . 950 ASP CA . 15722 1 583 . 1 1 64 64 ASP CB C 13 44.14 0.01 . 1 . . . . 950 ASP CB . 15722 1 584 . 1 1 64 64 ASP N N 15 115.758 0.1 . 1 . . . . 950 ASP N . 15722 1 585 . 1 1 65 65 GLU H H 1 8.726 0.01 . 1 . . . . 951 GLU H . 15722 1 586 . 1 1 65 65 GLU HA H 1 4.482 0.01 . 1 . . . . 951 GLU HA . 15722 1 587 . 1 1 65 65 GLU HB2 H 1 1.903 0.01 . 2 . . . . 951 GLU HB2 . 15722 1 588 . 1 1 65 65 GLU HB3 H 1 1.903 0.01 . 2 . . . . 951 GLU HB3 . 15722 1 589 . 1 1 65 65 GLU HG2 H 1 2.199 0.01 . 2 . . . . 951 GLU HG2 . 15722 1 590 . 1 1 65 65 GLU HG3 H 1 2.199 0.01 . 2 . . . . 951 GLU HG3 . 15722 1 591 . 1 1 65 65 GLU C C 13 172.088 0.05 . 1 . . . . 951 GLU C . 15722 1 592 . 1 1 65 65 GLU CA C 13 53.646 0.05 . 1 . . . . 951 GLU CA . 15722 1 593 . 1 1 65 65 GLU CB C 13 25.764 0.05 . 1 . . . . 951 GLU CB . 15722 1 594 . 1 1 65 65 GLU CG C 13 32.232 0.05 . 1 . . . . 951 GLU CG . 15722 1 595 . 1 1 65 65 GLU N N 15 119.744 0.01 . 1 . . . . 951 GLU N . 15722 1 596 . 1 1 66 66 PHE H H 1 7.531 0.01 . 1 . . . . 952 PHE H . 15722 1 597 . 1 1 66 66 PHE HA H 1 4.652 0.01 . 1 . . . . 952 PHE HA . 15722 1 598 . 1 1 66 66 PHE HB2 H 1 3.313 0.01 . 2 . . . . 952 PHE HB2 . 15722 1 599 . 1 1 66 66 PHE HB3 H 1 3.313 0.01 . 2 . . . . 952 PHE HB3 . 15722 1 600 . 1 1 66 66 PHE HD1 H 1 7.028 0.01 . 3 . . . . 952 PHE HD1 . 15722 1 601 . 1 1 66 66 PHE C C 13 175.954 0.05 . 1 . . . . 952 PHE C . 15722 1 602 . 1 1 66 66 PHE CA C 13 52.217 0.05 . 1 . . . . 952 PHE CA . 15722 1 603 . 1 1 66 66 PHE CB C 13 34.983 0.05 . 1 . . . . 952 PHE CB . 15722 1 604 . 1 1 66 66 PHE N N 15 125.105 0.1 . 1 . . . . 952 PHE N . 15722 1 605 . 1 1 67 67 GLY H H 1 7.770 0.01 . 1 . . . . 953 GLY H . 15722 1 606 . 1 1 67 67 GLY HA2 H 1 3.617 0.01 . 2 . . . . 953 GLY HA2 . 15722 1 607 . 1 1 67 67 GLY HA3 H 1 3.617 0.01 . 2 . . . . 953 GLY HA3 . 15722 1 608 . 1 1 67 67 GLY C C 13 167.926 0.05 . 1 . . . . 953 GLY C . 15722 1 609 . 1 1 67 67 GLY CA C 13 43.45 0.05 . 1 . . . . 953 GLY CA . 15722 1 610 . 1 1 67 67 GLY N N 15 109.048 0.1 . 1 . . . . 953 GLY N . 15722 1 611 . 1 1 68 68 VAL H H 1 7.061 0.01 . 1 . . . . 954 VAL H . 15722 1 612 . 1 1 68 68 VAL HA H 1 4.459 0.01 . 1 . . . . 954 VAL HA . 15722 1 613 . 1 1 68 68 VAL HB H 1 0.631 0.01 . 1 . . . . 954 VAL HB . 15722 1 614 . 1 1 68 68 VAL HG11 H 1 0.229 0.01 . 2 . . . . 954 VAL MG1 . 15722 1 615 . 1 1 68 68 VAL HG12 H 1 0.229 0.01 . 2 . . . . 954 VAL MG1 . 15722 1 616 . 1 1 68 68 VAL HG13 H 1 0.229 0.01 . 2 . . . . 954 VAL MG1 . 15722 1 617 . 1 1 68 68 VAL C C 13 169.061 0.05 . 1 . . . . 954 VAL C . 15722 1 618 . 1 1 68 68 VAL CA C 13 55.059 0.05 . 1 . . . . 954 VAL CA . 15722 1 619 . 1 1 68 68 VAL CB C 13 30.001 0.05 . 1 . . . . 954 VAL CB . 15722 1 620 . 1 1 68 68 VAL CG1 C 13 19.689 0.05 . 2 . . . . 954 VAL CG1 . 15722 1 621 . 1 1 68 68 VAL CG2 C 13 16.538 0.05 . 2 . . . . 954 VAL CG2 . 15722 1 622 . 1 1 68 68 VAL N N 15 123.678 0.1 . 1 . . . . 954 VAL N . 15722 1 623 . 1 1 69 69 THR H H 1 8.197 0.01 . 1 . . . . 955 THR H . 15722 1 624 . 1 1 69 69 THR HA H 1 4.247 0.01 . 1 . . . . 955 THR HA . 15722 1 625 . 1 1 69 69 THR HB H 1 3.904 0.01 . 1 . . . . 955 THR HB . 15722 1 626 . 1 1 69 69 THR HG21 H 1 0.555 0.01 . 1 . . . . 955 THR MG . 15722 1 627 . 1 1 69 69 THR HG22 H 1 0.555 0.01 . 1 . . . . 955 THR MG . 15722 1 628 . 1 1 69 69 THR HG23 H 1 0.555 0.01 . 1 . . . . 955 THR MG . 15722 1 629 . 1 1 69 69 THR C C 13 167.278 0.05 . 1 . . . . 955 THR C . 15722 1 630 . 1 1 69 69 THR CA C 13 56.037 0.05 . 1 . . . . 955 THR CA . 15722 1 631 . 1 1 69 69 THR CB C 13 65.739 0.05 . 1 . . . . 955 THR CB . 15722 1 632 . 1 1 69 69 THR CG2 C 13 16.229 0.05 . 1 . . . . 955 THR CG2 . 15722 1 633 . 1 1 69 69 THR N N 15 120.961 0.1 . 1 . . . . 955 THR N . 15722 1 634 . 1 1 70 70 TRP H H 1 7.943 0.01 . 1 . . . . 956 TRP H . 15722 1 635 . 1 1 70 70 TRP HA H 1 6.196 0.01 . 1 . . . . 956 TRP HA . 15722 1 636 . 1 1 70 70 TRP HB2 H 1 2.883 0.01 . 2 . . . . 956 TRP HB2 . 15722 1 637 . 1 1 70 70 TRP HB3 H 1 3.150 0.01 . 2 . . . . 956 TRP HB3 . 15722 1 638 . 1 1 70 70 TRP HD1 H 1 6.527 0.01 . 1 . . . . 956 TRP HD1 . 15722 1 639 . 1 1 70 70 TRP HE3 H 1 6.828 0.01 . 1 . . . . 956 TRP HE3 . 15722 1 640 . 1 1 70 70 TRP C C 13 172.769 0.05 . 1 . . . . 956 TRP C . 15722 1 641 . 1 1 70 70 TRP CA C 13 51.262 0.05 . 1 . . . . 956 TRP CA . 15722 1 642 . 1 1 70 70 TRP CB C 13 30.862 0.05 . 1 . . . . 956 TRP CB . 15722 1 643 . 1 1 70 70 TRP N N 15 114.326 0.1 . 1 . . . . 956 TRP N . 15722 1 644 . 1 1 71 71 THR H H 1 9.360 0.01 . 1 . . . . 957 THR H . 15722 1 645 . 1 1 71 71 THR CA C 13 58.84 0.05 . 1 . . . . 957 THR CA . 15722 1 646 . 1 1 71 71 THR CB C 13 68.694 0.05 . 1 . . . . 957 THR CB . 15722 1 647 . 1 1 71 71 THR N N 15 110.865 0.01 . 1 . . . . 957 THR N . 15722 1 648 . 1 1 72 72 LEU HA H 1 5.530 0.01 . 1 . . . . 958 LEU HA . 15722 1 649 . 1 1 72 72 LEU HB2 H 1 1.683 0.01 . 2 . . . . 958 LEU HB2 . 15722 1 650 . 1 1 72 72 LEU HB3 H 1 1.263 0.01 . 2 . . . . 958 LEU HB3 . 15722 1 651 . 1 1 72 72 LEU HD11 H 1 0.927 0.01 . 2 . . . . 958 LEU MD1 . 15722 1 652 . 1 1 72 72 LEU HD12 H 1 0.927 0.01 . 2 . . . . 958 LEU MD1 . 15722 1 653 . 1 1 72 72 LEU HD13 H 1 0.927 0.01 . 2 . . . . 958 LEU MD1 . 15722 1 654 . 1 1 72 72 LEU HD21 H 1 0.642 0.01 . 2 . . . . 958 LEU MD2 . 15722 1 655 . 1 1 72 72 LEU HD22 H 1 0.642 0.01 . 2 . . . . 958 LEU MD2 . 15722 1 656 . 1 1 72 72 LEU HD23 H 1 0.642 0.01 . 2 . . . . 958 LEU MD2 . 15722 1 657 . 1 1 72 72 LEU HG H 1 1.558 0.01 . 1 . . . . 958 LEU HG . 15722 1 658 . 1 1 72 72 LEU C C 13 171.806 0.05 . 1 . . . . 958 LEU C . 15722 1 659 . 1 1 72 72 LEU CA C 13 50.582 0.05 . 1 . . . . 958 LEU CA . 15722 1 660 . 1 1 72 72 LEU CB C 13 44.420 0.05 . 1 . . . . 958 LEU CB . 15722 1 661 . 1 1 72 72 LEU CD1 C 13 22.453 0.05 . 2 . . . . 958 LEU CD1 . 15722 1 662 . 1 1 72 72 LEU CD2 C 13 22.453 0.05 . 2 . . . . 958 LEU CD2 . 15722 1 663 . 1 1 72 72 LEU CG C 13 25.097 0.05 . 1 . . . . 958 LEU CG . 15722 1 664 . 1 1 73 73 HIS H H 1 9.560 0.01 . 1 . . . . 959 HIS H . 15722 1 665 . 1 1 73 73 HIS CA C 13 50.850 0.05 . 1 . . . . 959 HIS CA . 15722 1 666 . 1 1 73 73 HIS CB C 13 29.390 0.05 . 1 . . . . 959 HIS CB . 15722 1 667 . 1 1 73 73 HIS N N 15 126.087 0.1 . 1 . . . . 959 HIS N . 15722 1 668 . 1 1 74 74 PRO HA H 1 4.644 0.01 . 1 . . . . 960 PRO HA . 15722 1 669 . 1 1 74 74 PRO HB2 H 1 2.299 0.01 . 2 . . . . 960 PRO HB2 . 15722 1 670 . 1 1 74 74 PRO HB3 H 1 2.137 0.01 . 2 . . . . 960 PRO HB3 . 15722 1 671 . 1 1 74 74 PRO C C 13 173.780 0.05 . 1 . . . . 960 PRO C . 15722 1 672 . 1 1 74 74 PRO CA C 13 59.646 0.05 . 1 . . . . 960 PRO CA . 15722 1 673 . 1 1 74 74 PRO CB C 13 28.856 0.05 . 1 . . . . 960 PRO CB . 15722 1 674 . 1 1 74 74 PRO CD C 13 47.556 0.05 . 1 . . . . 960 PRO CD . 15722 1 675 . 1 1 75 75 GLU H H 1 7.474 0.01 . 1 . . . . 961 GLU H . 15722 1 676 . 1 1 75 75 GLU HA H 1 3.826 0.01 . 1 . . . . 961 GLU HA . 15722 1 677 . 1 1 75 75 GLU HB2 H 1 1.63 0.01 . 2 . . . . 961 GLU HB2 . 15722 1 678 . 1 1 75 75 GLU HB3 H 1 1.63 0.01 . 2 . . . . 961 GLU HB3 . 15722 1 679 . 1 1 75 75 GLU HG2 H 1 2.083 0.01 . 2 . . . . 961 GLU HG2 . 15722 1 680 . 1 1 75 75 GLU HG3 H 1 1.990 0.01 . 2 . . . . 961 GLU HG3 . 15722 1 681 . 1 1 75 75 GLU C C 13 172.711 0.01 . 1 . . . . 961 GLU C . 15722 1 682 . 1 1 75 75 GLU CA C 13 55.869 0.01 . 1 . . . . 961 GLU CA . 15722 1 683 . 1 1 75 75 GLU CB C 13 26.416 0.01 . 1 . . . . 961 GLU CB . 15722 1 684 . 1 1 75 75 GLU CG C 13 32.251 0.01 . 1 . . . . 961 GLU CG . 15722 1 685 . 1 1 75 75 GLU N N 15 119.233 0.1 . 1 . . . . 961 GLU N . 15722 1 686 . 1 1 76 76 SER H H 1 7.904 0.01 . 1 . . . . 962 SER H . 15722 1 687 . 1 1 76 76 SER HA H 1 3.988 0.01 . 1 . . . . 962 SER HA . 15722 1 688 . 1 1 76 76 SER HB2 H 1 3.796 0.01 . 2 . . . . 962 SER HB2 . 15722 1 689 . 1 1 76 76 SER HB3 H 1 3.796 0.01 . 2 . . . . 962 SER HB3 . 15722 1 690 . 1 1 76 76 SER C C 13 172.344 0.05 . 1 . . . . 962 SER C . 15722 1 691 . 1 1 76 76 SER CA C 13 56.815 0.05 . 1 . . . . 962 SER CA . 15722 1 692 . 1 1 76 76 SER CB C 13 60.412 0.05 . 1 . . . . 962 SER CB . 15722 1 693 . 1 1 76 76 SER N N 15 109.19 0.1 . 1 . . . . 962 SER N . 15722 1 694 . 1 1 77 77 ASN H H 1 7.026 0.01 . 1 . . . . 963 ASN H . 15722 1 695 . 1 1 77 77 ASN HA H 1 4.587 0.01 . 1 . . . . 963 ASN HA . 15722 1 696 . 1 1 77 77 ASN HB2 H 1 2.895 0.01 . 2 . . . . 963 ASN HB2 . 15722 1 697 . 1 1 77 77 ASN HB3 H 1 2.895 0.01 . 2 . . . . 963 ASN HB3 . 15722 1 698 . 1 1 77 77 ASN C C 13 171.905 0.05 . 1 . . . . 963 ASN C . 15722 1 699 . 1 1 77 77 ASN CA C 13 50.711 0.05 . 1 . . . . 963 ASN CA . 15722 1 700 . 1 1 77 77 ASN CB C 13 35.529 0.05 . 1 . . . . 963 ASN CB . 15722 1 701 . 1 1 77 77 ASN N N 15 116.977 0.1 . 1 . . . . 963 ASN N . 15722 1 702 . 1 1 78 78 ILE H H 1 8.474 0.01 . 1 . . . . 964 ILE H . 15722 1 703 . 1 1 78 78 ILE HA H 1 4.078 0.01 . 1 . . . . 964 ILE HA . 15722 1 704 . 1 1 78 78 ILE HB H 1 1.687 0.01 . 1 . . . . 964 ILE HB . 15722 1 705 . 1 1 78 78 ILE HD11 H 1 0.429 0.01 . 1 . . . . 964 ILE MD . 15722 1 706 . 1 1 78 78 ILE HD12 H 1 0.429 0.01 . 1 . . . . 964 ILE MD . 15722 1 707 . 1 1 78 78 ILE HD13 H 1 0.429 0.01 . 1 . . . . 964 ILE MD . 15722 1 708 . 1 1 78 78 ILE HG12 H 1 0.641 0.01 . 2 . . . . 964 ILE HG12 . 15722 1 709 . 1 1 78 78 ILE HG13 H 1 0.641 0.01 . 2 . . . . 964 ILE HG13 . 15722 1 710 . 1 1 78 78 ILE C C 13 172.288 0.05 . 1 . . . . 964 ILE C . 15722 1 711 . 1 1 78 78 ILE CA C 13 59.417 0.05 . 1 . . . . 964 ILE CA . 15722 1 712 . 1 1 78 78 ILE CB C 13 35.687 0.05 . 1 . . . . 964 ILE CB . 15722 1 713 . 1 1 78 78 ILE CD1 C 13 15.276 0.05 . 1 . . . . 964 ILE CD1 . 15722 1 714 . 1 1 78 78 ILE CG1 C 13 25.165 0.05 . 1 . . . . 964 ILE CG1 . 15722 1 715 . 1 1 78 78 ILE CG2 C 13 17.028 0.05 . 1 . . . . 964 ILE CG2 . 15722 1 716 . 1 1 78 78 ILE N N 15 123.121 0.1 . 1 . . . . 964 ILE N . 15722 1 717 . 1 1 79 79 ASN H H 1 7.806 0.01 . 1 . . . . 965 ASN H . 15722 1 718 . 1 1 79 79 ASN HA H 1 4.469 0.01 . 1 . . . . 965 ASN HA . 15722 1 719 . 1 1 79 79 ASN HB2 H 1 2.649 0.01 . 2 . . . . 965 ASN HB2 . 15722 1 720 . 1 1 79 79 ASN HB3 H 1 2.649 0.01 . 2 . . . . 965 ASN HB3 . 15722 1 721 . 1 1 79 79 ASN C C 13 173.432 0.05 . 1 . . . . 965 ASN C . 15722 1 722 . 1 1 79 79 ASN CA C 13 51.321 0.05 . 1 . . . . 965 ASN CA . 15722 1 723 . 1 1 79 79 ASN CB C 13 36.145 0.05 . 1 . . . . 965 ASN CB . 15722 1 724 . 1 1 79 79 ASN N N 15 115.452 0.1 . 1 . . . . 965 ASN N . 15722 1 725 . 1 1 80 80 ASP H H 1 7.854 0.01 . 1 . . . . 966 ASP H . 15722 1 726 . 1 1 80 80 ASP CA C 13 51.445 0.05 . 1 . . . . 966 ASP CA . 15722 1 727 . 1 1 80 80 ASP CB C 13 38.78 0.05 . 1 . . . . 966 ASP CB . 15722 1 728 . 1 1 80 80 ASP N N 15 122.416 0.1 . 1 . . . . 966 ASP N . 15722 1 729 . 1 1 82 82 ILE HA H 1 3.640 0.01 . 1 . . . . 968 ILE HA . 15722 1 730 . 1 1 82 82 ILE C C 13 170.276 0.05 . 1 . . . . 968 ILE C . 15722 1 731 . 1 1 82 82 ILE CB C 13 34.659 0.05 . 1 . . . . 968 ILE CB . 15722 1 732 . 1 1 82 82 ILE CD1 C 13 12.752 0.05 . 1 . . . . 968 ILE CD1 . 15722 1 733 . 1 1 82 82 ILE CG2 C 13 17.405 0.05 . 1 . . . . 968 ILE CG2 . 15722 1 734 . 1 1 83 83 THR H H 1 7.966 0.01 . 1 . . . . 969 THR H . 15722 1 735 . 1 1 83 83 THR CA C 13 53.394 0.05 . 1 . . . . 969 THR CA . 15722 1 736 . 1 1 83 83 THR CB C 13 60.861 0.05 . 1 . . . . 969 THR CB . 15722 1 737 . 1 1 83 83 THR N N 15 115.607 0.1 . 1 . . . . 969 THR N . 15722 1 738 . 1 1 84 84 TYR HA H 1 5.357 0.01 . 1 . . . . 970 TYR HA . 15722 1 739 . 1 1 84 84 TYR C C 13 170.601 0.05 . 1 . . . . 970 TYR C . 15722 1 740 . 1 1 84 84 TYR CB C 13 38.476 0.05 . 1 . . . . 970 TYR CB . 15722 1 741 . 1 1 85 85 GLY H H 1 6.656 0.01 . 1 . . . . 971 GLY H . 15722 1 742 . 1 1 85 85 GLY C C 13 168.541 0.05 . 1 . . . . 971 GLY C . 15722 1 743 . 1 1 85 85 GLY CA C 13 42.902 0.05 . 1 . . . . 971 GLY CA . 15722 1 744 . 1 1 85 85 GLY N N 15 104.154 0.1 . 1 . . . . 971 GLY N . 15722 1 745 . 1 1 86 86 GLN H H 1 7.930 0.01 . 1 . . . . 972 GLN H . 15722 1 746 . 1 1 86 86 GLN HA H 1 4.499 0.01 . 1 . . . . 972 GLN HA . 15722 1 747 . 1 1 86 86 GLN HB2 H 1 1.999 0.01 . 2 . . . . 972 GLN HB2 . 15722 1 748 . 1 1 86 86 GLN HB3 H 1 1.999 0.01 . 2 . . . . 972 GLN HB3 . 15722 1 749 . 1 1 86 86 GLN HG2 H 1 2.132 0.01 . 2 . . . . 972 GLN HG2 . 15722 1 750 . 1 1 86 86 GLN HG3 H 1 2.132 0.01 . 2 . . . . 972 GLN HG3 . 15722 1 751 . 1 1 86 86 GLN C C 13 172.887 0.05 . 1 . . . . 972 GLN C . 15722 1 752 . 1 1 86 86 GLN CA C 13 51.549 0.05 . 1 . . . . 972 GLN CA . 15722 1 753 . 1 1 86 86 GLN CB C 13 27.286 0.05 . 1 . . . . 972 GLN CB . 15722 1 754 . 1 1 86 86 GLN CG C 13 30.865 0.05 . 1 . . . . 972 GLN CG . 15722 1 755 . 1 1 86 86 GLN N N 15 122.323 0.1 . 1 . . . . 972 GLN N . 15722 1 756 . 1 1 87 87 VAL H H 1 8.717 0.01 . 1 . . . . 973 VAL H . 15722 1 757 . 1 1 87 87 VAL HA H 1 4.091 0.01 . 1 . . . . 973 VAL HA . 15722 1 758 . 1 1 87 87 VAL HB H 1 1.943 0.01 . 1 . . . . 973 VAL HB . 15722 1 759 . 1 1 87 87 VAL HG11 H 1 0.939 0.01 . 2 . . . . 973 VAL MG1 . 15722 1 760 . 1 1 87 87 VAL HG12 H 1 0.939 0.01 . 2 . . . . 973 VAL MG1 . 15722 1 761 . 1 1 87 87 VAL HG13 H 1 0.939 0.01 . 2 . . . . 973 VAL MG1 . 15722 1 762 . 1 1 87 87 VAL HG21 H 1 0.939 0.01 . 2 . . . . 973 VAL MG2 . 15722 1 763 . 1 1 87 87 VAL HG22 H 1 0.939 0.01 . 2 . . . . 973 VAL MG2 . 15722 1 764 . 1 1 87 87 VAL HG23 H 1 0.939 0.01 . 2 . . . . 973 VAL MG2 . 15722 1 765 . 1 1 87 87 VAL C C 13 169.457 0.05 . 1 . . . . 973 VAL C . 15722 1 766 . 1 1 87 87 VAL CA C 13 60.998 0.05 . 1 . . . . 973 VAL CA . 15722 1 767 . 1 1 87 87 VAL CB C 13 29.558 0.05 . 1 . . . . 973 VAL CB . 15722 1 768 . 1 1 87 87 VAL CG1 C 13 19.050 0.05 . 2 . . . . 973 VAL CG1 . 15722 1 769 . 1 1 87 87 VAL CG2 C 13 19.050 0.05 . 2 . . . . 973 VAL CG2 . 15722 1 770 . 1 1 87 87 VAL N N 15 126.67 0.1 . 1 . . . . 973 VAL N . 15722 1 771 . 1 1 88 88 ASP H H 1 8.885 0.01 . 1 . . . . 974 ASP H . 15722 1 772 . 1 1 88 88 ASP HA H 1 4.697 0.01 . 1 . . . . 974 ASP HA . 15722 1 773 . 1 1 88 88 ASP HB2 H 1 2.365 0.01 . 2 . . . . 974 ASP HB2 . 15722 1 774 . 1 1 88 88 ASP HB3 H 1 2.365 0.01 . 2 . . . . 974 ASP HB3 . 15722 1 775 . 1 1 88 88 ASP C C 13 173.480 0.05 . 1 . . . . 974 ASP C . 15722 1 776 . 1 1 88 88 ASP CA C 13 50.697 0.05 . 1 . . . . 974 ASP CA . 15722 1 777 . 1 1 88 88 ASP CB C 13 38.853 0.05 . 1 . . . . 974 ASP CB . 15722 1 778 . 1 1 88 88 ASP N N 15 129.326 0.1 . 1 . . . . 974 ASP N . 15722 1 779 . 1 1 89 89 GLY H H 1 8.851 0.01 . 1 . . . . 975 GLY H . 15722 1 780 . 1 1 89 89 GLY C C 13 170.970 0.05 . 1 . . . . 975 GLY C . 15722 1 781 . 1 1 89 89 GLY CA C 13 44.616 0.01 . 1 . . . . 975 GLY CA . 15722 1 782 . 1 1 89 89 GLY N N 15 115.484 0.1 . 1 . . . . 975 GLY N . 15722 1 783 . 1 1 90 90 ASN H H 1 8.745 0.01 . 1 . . . . 976 ASN H . 15722 1 784 . 1 1 90 90 ASN HA H 1 4.695 0.01 . 1 . . . . 976 ASN HA . 15722 1 785 . 1 1 90 90 ASN HB2 H 1 2.874 0.01 . 2 . . . . 976 ASN HB2 . 15722 1 786 . 1 1 90 90 ASN HB3 H 1 2.663 0.01 . 2 . . . . 976 ASN HB3 . 15722 1 787 . 1 1 90 90 ASN C C 13 170.359 0.05 . 1 . . . . 976 ASN C . 15722 1 788 . 1 1 90 90 ASN CA C 13 50.861 0.05 . 1 . . . . 976 ASN CA . 15722 1 789 . 1 1 90 90 ASN CB C 13 35.866 0.05 . 1 . . . . 976 ASN CB . 15722 1 790 . 1 1 90 90 ASN N N 15 125.32 0.1 . 1 . . . . 976 ASN N . 15722 1 791 . 1 1 91 91 LYS H H 1 7.828 0.01 . 1 . . . . 977 LYS H . 15722 1 792 . 1 1 91 91 LYS HA H 1 5.139 0.01 . 1 . . . . 977 LYS HA . 15722 1 793 . 1 1 91 91 LYS HB2 H 1 1.888 0.01 . 2 . . . . 977 LYS HB2 . 15722 1 794 . 1 1 91 91 LYS HB3 H 1 1.675 0.01 . 2 . . . . 977 LYS HB3 . 15722 1 795 . 1 1 91 91 LYS HG2 H 1 1.38 0.01 . 2 . . . . 977 LYS HG2 . 15722 1 796 . 1 1 91 91 LYS HG3 H 1 1.38 0.01 . 2 . . . . 977 LYS HG3 . 15722 1 797 . 1 1 91 91 LYS C C 13 173.232 0.05 . 1 . . . . 977 LYS C . 15722 1 798 . 1 1 91 91 LYS CA C 13 51.734 0.05 . 1 . . . . 977 LYS CA . 15722 1 799 . 1 1 91 91 LYS CB C 13 32.731 0.05 . 1 . . . . 977 LYS CB . 15722 1 800 . 1 1 91 91 LYS CD C 13 26.252 0.05 . 1 . . . . 977 LYS CD . 15722 1 801 . 1 1 91 91 LYS CE C 13 43.542 0.05 . 1 . . . . 977 LYS CE . 15722 1 802 . 1 1 91 91 LYS CG C 13 22.134 0.05 . 1 . . . . 977 LYS CG . 15722 1 803 . 1 1 91 91 LYS N N 15 119.275 0.1 . 1 . . . . 977 LYS N . 15722 1 804 . 1 1 92 92 VAL H H 1 9.369 0.01 . 1 . . . . 978 VAL H . 15722 1 805 . 1 1 92 92 VAL HA H 1 4.728 0.01 . 1 . . . . 978 VAL HA . 15722 1 806 . 1 1 92 92 VAL HB H 1 2.164 0.01 . 1 . . . . 978 VAL HB . 15722 1 807 . 1 1 92 92 VAL HG11 H 1 0.854 0.01 . 2 . . . . 978 VAL MG1 . 15722 1 808 . 1 1 92 92 VAL HG12 H 1 0.854 0.01 . 2 . . . . 978 VAL MG1 . 15722 1 809 . 1 1 92 92 VAL HG13 H 1 0.854 0.01 . 2 . . . . 978 VAL MG1 . 15722 1 810 . 1 1 92 92 VAL HG21 H 1 0.598 0.01 . 2 . . . . 978 VAL MG2 . 15722 1 811 . 1 1 92 92 VAL HG22 H 1 0.598 0.01 . 2 . . . . 978 VAL MG2 . 15722 1 812 . 1 1 92 92 VAL HG23 H 1 0.598 0.01 . 2 . . . . 978 VAL MG2 . 15722 1 813 . 1 1 92 92 VAL C C 13 175.649 0.05 . 1 . . . . 978 VAL C . 15722 1 814 . 1 1 92 92 VAL CA C 13 58.944 0.05 . 1 . . . . 978 VAL CA . 15722 1 815 . 1 1 92 92 VAL CB C 13 30.26 0.05 . 1 . . . . 978 VAL CB . 15722 1 816 . 1 1 92 92 VAL CG1 C 13 19.196 0.05 . 2 . . . . 978 VAL CG1 . 15722 1 817 . 1 1 92 92 VAL CG2 C 13 19.196 0.05 . 2 . . . . 978 VAL CG2 . 15722 1 818 . 1 1 92 92 VAL N N 15 123.247 0.1 . 1 . . . . 978 VAL N . 15722 1 819 . 1 1 93 93 SER H H 1 9.154 0.01 . 1 . . . . 979 SER H . 15722 1 820 . 1 1 93 93 SER HA H 1 6.443 0.01 . 1 . . . . 979 SER HA . 15722 1 821 . 1 1 93 93 SER HB2 H 1 3.991 0.01 . 2 . . . . 979 SER HB2 . 15722 1 822 . 1 1 93 93 SER HB3 H 1 3.795 0.01 . 2 . . . . 979 SER HB3 . 15722 1 823 . 1 1 93 93 SER C C 13 171.806 0.05 . 1 . . . . 979 SER C . 15722 1 824 . 1 1 93 93 SER CA C 13 55.15 0.05 . 1 . . . . 979 SER CA . 15722 1 825 . 1 1 93 93 SER CB C 13 65.698 0.05 . 1 . . . . 979 SER CB . 15722 1 826 . 1 1 93 93 SER N N 15 124.416 0.1 . 1 . . . . 979 SER N . 15722 1 827 . 1 1 94 94 ASN H H 1 8.940 0.01 . 1 . . . . 980 ASN H . 15722 1 828 . 1 1 94 94 ASN HA H 1 4.698 0.01 . 1 . . . . 980 ASN HA . 15722 1 829 . 1 1 94 94 ASN HB2 H 1 3.106 0.01 . 2 . . . . 980 ASN HB2 . 15722 1 830 . 1 1 94 94 ASN HB3 H 1 2.359 0.01 . 2 . . . . 980 ASN HB3 . 15722 1 831 . 1 1 94 94 ASN C C 13 170.327 0.05 . 1 . . . . 980 ASN C . 15722 1 832 . 1 1 94 94 ASN CA C 13 50.53 0.05 . 1 . . . . 980 ASN CA . 15722 1 833 . 1 1 94 94 ASN CB C 13 39.05 0.05 . 1 . . . . 980 ASN CB . 15722 1 834 . 1 1 94 94 ASN N N 15 117.556 0.05 . 1 . . . . 980 ASN N . 15722 1 835 . 1 1 95 95 LYS H H 1 8.451 0.01 . 1 . . . . 981 LYS H . 15722 1 836 . 1 1 95 95 LYS HA H 1 5.375 0.01 . 1 . . . . 981 LYS HA . 15722 1 837 . 1 1 95 95 LYS HB2 H 1 1.55 0.01 . 2 . . . . 981 LYS HB2 . 15722 1 838 . 1 1 95 95 LYS HB3 H 1 1.55 0.01 . 2 . . . . 981 LYS HB3 . 15722 1 839 . 1 1 95 95 LYS HG2 H 1 1.152 0.01 . 2 . . . . 981 LYS HG2 . 15722 1 840 . 1 1 95 95 LYS HG3 H 1 1.152 0.01 . 2 . . . . 981 LYS HG3 . 15722 1 841 . 1 1 95 95 LYS C C 13 172.602 0.05 . 1 . . . . 981 LYS C . 15722 1 842 . 1 1 95 95 LYS CA C 13 52.16 0.05 . 1 . . . . 981 LYS CA . 15722 1 843 . 1 1 95 95 LYS CB C 13 32.65 0.05 . 1 . . . . 981 LYS CB . 15722 1 844 . 1 1 95 95 LYS CD C 13 26.665 0.05 . 1 . . . . 981 LYS CD . 15722 1 845 . 1 1 95 95 LYS CE C 13 39.275 0.05 . 1 . . . . 981 LYS CE . 15722 1 846 . 1 1 95 95 LYS CG C 13 21.936 0.05 . 1 . . . . 981 LYS CG . 15722 1 847 . 1 1 95 95 LYS N N 15 119.183 0.01 . 1 . . . . 981 LYS N . 15722 1 848 . 1 1 96 96 VAL H H 1 8.681 0.01 . 1 . . . . 982 VAL H . 15722 1 849 . 1 1 96 96 VAL HA H 1 4.424 0.01 . 1 . . . . 982 VAL HA . 15722 1 850 . 1 1 96 96 VAL HB H 1 1.876 0.01 . 1 . . . . 982 VAL HB . 15722 1 851 . 1 1 96 96 VAL HG11 H 1 0.719 0.01 . 2 . . . . 982 VAL MG1 . 15722 1 852 . 1 1 96 96 VAL HG12 H 1 0.719 0.01 . 2 . . . . 982 VAL MG1 . 15722 1 853 . 1 1 96 96 VAL HG13 H 1 0.719 0.01 . 2 . . . . 982 VAL MG1 . 15722 1 854 . 1 1 96 96 VAL HG21 H 1 0.575 0.01 . 2 . . . . 982 VAL MG2 . 15722 1 855 . 1 1 96 96 VAL HG22 H 1 0.575 0.01 . 2 . . . . 982 VAL MG2 . 15722 1 856 . 1 1 96 96 VAL HG23 H 1 0.575 0.01 . 2 . . . . 982 VAL MG2 . 15722 1 857 . 1 1 96 96 VAL C C 13 169.302 0.01 . 1 . . . . 982 VAL C . 15722 1 858 . 1 1 96 96 VAL CA C 13 56.899 0.05 . 1 . . . . 982 VAL CA . 15722 1 859 . 1 1 96 96 VAL CB C 13 32.37 0.05 . 1 . . . . 982 VAL CB . 15722 1 860 . 1 1 96 96 VAL CG1 C 13 18.173 0.05 . 2 . . . . 982 VAL CG1 . 15722 1 861 . 1 1 96 96 VAL CG2 C 13 15.950 0.05 . 2 . . . . 982 VAL CG2 . 15722 1 862 . 1 1 96 96 VAL N N 15 121.046 0.01 . 1 . . . . 982 VAL N . 15722 1 863 . 1 1 97 97 LYS H H 1 8.488 0.01 . 1 . . . . 983 LYS H . 15722 1 864 . 1 1 97 97 LYS HA H 1 4.308 0.01 . 1 . . . . 983 LYS HA . 15722 1 865 . 1 1 97 97 LYS HB2 H 1 1.673 0.01 . 2 . . . . 983 LYS HB2 . 15722 1 866 . 1 1 97 97 LYS HB3 H 1 1.524 0.01 . 2 . . . . 983 LYS HB3 . 15722 1 867 . 1 1 97 97 LYS HE2 H 1 2.738 0.01 . 2 . . . . 983 LYS HE2 . 15722 1 868 . 1 1 97 97 LYS HE3 H 1 2.738 0.01 . 2 . . . . 983 LYS HE3 . 15722 1 869 . 1 1 97 97 LYS HG2 H 1 1.014 0.01 . 2 . . . . 983 LYS HG2 . 15722 1 870 . 1 1 97 97 LYS HG3 H 1 1.014 0.01 . 2 . . . . 983 LYS HG3 . 15722 1 871 . 1 1 97 97 LYS C C 13 172.247 0.05 . 1 . . . . 983 LYS C . 15722 1 872 . 1 1 97 97 LYS CA C 13 53.51 0.05 . 1 . . . . 983 LYS CA . 15722 1 873 . 1 1 97 97 LYS CB C 13 29.33 0.05 . 1 . . . . 983 LYS CB . 15722 1 874 . 1 1 97 97 LYS CD C 13 26.462 0.05 . 1 . . . . 983 LYS CD . 15722 1 875 . 1 1 97 97 LYS CE C 13 38.979 0.05 . 1 . . . . 983 LYS CE . 15722 1 876 . 1 1 97 97 LYS CG C 13 22.628 0.05 . 1 . . . . 983 LYS CG . 15722 1 877 . 1 1 97 97 LYS N N 15 128.123 0.1 . 1 . . . . 983 LYS N . 15722 1 878 . 1 1 98 98 LEU H H 1 8.116 0.01 . 1 . . . . 984 LEU H . 15722 1 879 . 1 1 98 98 LEU HA H 1 4.707 0.01 . 1 . . . . 984 LEU HA . 15722 1 880 . 1 1 98 98 LEU HB2 H 1 1.358 0.01 . 2 . . . . 984 LEU HB2 . 15722 1 881 . 1 1 98 98 LEU HB3 H 1 1.138 0.01 . 2 . . . . 984 LEU HB3 . 15722 1 882 . 1 1 98 98 LEU HD11 H 1 0.0952 0.01 . 2 . . . . 984 LEU MD1 . 15722 1 883 . 1 1 98 98 LEU HD12 H 1 0.0952 0.01 . 2 . . . . 984 LEU MD1 . 15722 1 884 . 1 1 98 98 LEU HD13 H 1 0.0952 0.01 . 2 . . . . 984 LEU MD1 . 15722 1 885 . 1 1 98 98 LEU HD21 H 1 0.0952 0.01 . 2 . . . . 984 LEU MD2 . 15722 1 886 . 1 1 98 98 LEU HD22 H 1 0.0952 0.01 . 2 . . . . 984 LEU MD2 . 15722 1 887 . 1 1 98 98 LEU HD23 H 1 0.0952 0.01 . 2 . . . . 984 LEU MD2 . 15722 1 888 . 1 1 98 98 LEU HG H 1 0.3722 0.01 . 1 . . . . 984 LEU HG . 15722 1 889 . 1 1 98 98 LEU C C 13 172.947 0.05 . 1 . . . . 984 LEU C . 15722 1 890 . 1 1 98 98 LEU CA C 13 50.31 0.05 . 1 . . . . 984 LEU CA . 15722 1 891 . 1 1 98 98 LEU CB C 13 42.05 0.05 . 1 . . . . 984 LEU CB . 15722 1 892 . 1 1 98 98 LEU CD1 C 13 20.081 0.05 . 2 . . . . 984 LEU CD1 . 15722 1 893 . 1 1 98 98 LEU CD2 C 13 20.081 0.05 . 2 . . . . 984 LEU CD2 . 15722 1 894 . 1 1 98 98 LEU CG C 13 22.684 0.05 . 1 . . . . 984 LEU CG . 15722 1 895 . 1 1 98 98 LEU N N 15 126.294 0.1 . 1 . . . . 984 LEU N . 15722 1 896 . 1 1 99 99 ARG H H 1 7.872 0.01 . 1 . . . . 985 ARG H . 15722 1 897 . 1 1 99 99 ARG C C 13 171.623 0.05 . 1 . . . . 985 ARG C . 15722 1 898 . 1 1 99 99 ARG CA C 13 51.51 0.01 . 1 . . . . 985 ARG CA . 15722 1 899 . 1 1 99 99 ARG CB C 13 26.08 0.01 . 1 . . . . 985 ARG CB . 15722 1 900 . 1 1 99 99 ARG N N 15 118.403 0.1 . 1 . . . . 985 ARG N . 15722 1 901 . 1 1 100 100 PRO HA H 1 4.043 0.01 . 1 . . . . 986 PRO HA . 15722 1 902 . 1 1 100 100 PRO HB2 H 1 2.036 0.01 . 2 . . . . 986 PRO HB2 . 15722 1 903 . 1 1 100 100 PRO HB3 H 1 1.762 0.01 . 2 . . . . 986 PRO HB3 . 15722 1 904 . 1 1 100 100 PRO C C 13 172.905 0.05 . 1 . . . . 986 PRO C . 15722 1 905 . 1 1 100 100 PRO CA C 13 61.31 0.05 . 1 . . . . 986 PRO CA . 15722 1 906 . 1 1 100 100 PRO CB C 13 29.084 0.05 . 1 . . . . 986 PRO CB . 15722 1 907 . 1 1 100 100 PRO CD C 13 47.579 0.05 . 1 . . . . 986 PRO CD . 15722 1 908 . 1 1 100 100 PRO CG C 13 25.294 0.05 . 1 . . . . 986 PRO CG . 15722 1 909 . 1 1 101 101 GLY H H 1 8.535 0.01 . 1 . . . . 987 GLY H . 15722 1 910 . 1 1 101 101 GLY HA2 H 1 4.043 0.01 . 2 . . . . 987 GLY HA2 . 15722 1 911 . 1 1 101 101 GLY HA3 H 1 3.702 0.01 . 2 . . . . 987 GLY HA3 . 15722 1 912 . 1 1 101 101 GLY C C 13 172.714 0.05 . 1 . . . . 987 GLY C . 15722 1 913 . 1 1 101 101 GLY CA C 13 41.579 0.05 . 1 . . . . 987 GLY CA . 15722 1 914 . 1 1 101 101 GLY N N 15 110.632 0.1 . 1 . . . . 987 GLY N . 15722 1 915 . 1 1 102 102 LYS H H 1 8.001 0.01 . 1 . . . . 988 LYS H . 15722 1 916 . 1 1 102 102 LYS HA H 1 4.661 0.01 . 1 . . . . 988 LYS HA . 15722 1 917 . 1 1 102 102 LYS HB2 H 1 1.305 0.01 . 2 . . . . 988 LYS HB2 . 15722 1 918 . 1 1 102 102 LYS HB3 H 1 1.305 0.01 . 2 . . . . 988 LYS HB3 . 15722 1 919 . 1 1 102 102 LYS HD2 H 1 0.947 0.01 . 2 . . . . 988 LYS HD2 . 15722 1 920 . 1 1 102 102 LYS HD3 H 1 0.947 0.01 . 2 . . . . 988 LYS HD3 . 15722 1 921 . 1 1 102 102 LYS HE2 H 1 2.302 0.01 . 2 . . . . 988 LYS HE2 . 15722 1 922 . 1 1 102 102 LYS HE3 H 1 2.302 0.01 . 2 . . . . 988 LYS HE3 . 15722 1 923 . 1 1 102 102 LYS HG2 H 1 0.543 0.01 . 2 . . . . 988 LYS HG2 . 15722 1 924 . 1 1 102 102 LYS HG3 H 1 0.543 0.01 . 2 . . . . 988 LYS HG3 . 15722 1 925 . 1 1 102 102 LYS C C 13 171.581 0.05 . 1 . . . . 988 LYS C . 15722 1 926 . 1 1 102 102 LYS CA C 13 52.32 0.05 . 1 . . . . 988 LYS CA . 15722 1 927 . 1 1 102 102 LYS CB C 13 30.95 0.05 . 1 . . . . 988 LYS CB . 15722 1 928 . 1 1 102 102 LYS CD C 13 26.656 0.05 . 1 . . . . 988 LYS CD . 15722 1 929 . 1 1 102 102 LYS CE C 13 39.188 0.05 . 1 . . . . 988 LYS CE . 15722 1 930 . 1 1 102 102 LYS CG C 13 22.639 0.05 . 1 . . . . 988 LYS CG . 15722 1 931 . 1 1 102 102 LYS N N 15 120.133 0.1 . 1 . . . . 988 LYS N . 15722 1 932 . 1 1 103 103 TYR H H 1 8.275 0.01 . 1 . . . . 989 TYR H . 15722 1 933 . 1 1 103 103 TYR HA H 1 4.476 0.01 . 1 . . . . 989 TYR HA . 15722 1 934 . 1 1 103 103 TYR HB2 H 1 2.325 0.01 . 2 . . . . 989 TYR HB2 . 15722 1 935 . 1 1 103 103 TYR HD1 H 1 6.584 0.01 . 3 . . . . 989 TYR HD1 . 15722 1 936 . 1 1 103 103 TYR HE1 H 1 6.817 0.01 . 3 . . . . 989 TYR HE1 . 15722 1 937 . 1 1 103 103 TYR C C 13 170.770 0.05 . 1 . . . . 989 TYR C . 15722 1 938 . 1 1 103 103 TYR CA C 13 54.37 0.05 . 1 . . . . 989 TYR CA . 15722 1 939 . 1 1 103 103 TYR CB C 13 39.79 0.05 . 1 . . . . 989 TYR CB . 15722 1 940 . 1 1 103 103 TYR N N 15 122.5 0.1 . 1 . . . . 989 TYR N . 15722 1 941 . 1 1 104 104 TYR H H 1 9.180 0.01 . 1 . . . . 990 TYR H . 15722 1 942 . 1 1 104 104 TYR HA H 1 5.385 0.01 . 1 . . . . 990 TYR HA . 15722 1 943 . 1 1 104 104 TYR HB2 H 1 2.928 0.01 . 2 . . . . 990 TYR HB2 . 15722 1 944 . 1 1 104 104 TYR HB3 H 1 2.637 0.01 . 2 . . . . 990 TYR HB3 . 15722 1 945 . 1 1 104 104 TYR C C 13 171.386 0.05 . 1 . . . . 990 TYR C . 15722 1 946 . 1 1 104 104 TYR CA C 13 54.12 0.05 . 1 . . . . 990 TYR CA . 15722 1 947 . 1 1 104 104 TYR CB C 13 39.023 0.05 . 1 . . . . 990 TYR CB . 15722 1 948 . 1 1 104 104 TYR N N 15 116.25 0.1 . 1 . . . . 990 TYR N . 15722 1 949 . 1 1 105 105 LEU H H 1 9.463 0.01 . 1 . . . . 991 LEU H . 15722 1 950 . 1 1 105 105 LEU HA H 1 5.275 0.01 . 1 . . . . 991 LEU HA . 15722 1 951 . 1 1 105 105 LEU HB2 H 1 1.669 0.01 . 2 . . . . 991 LEU HB2 . 15722 1 952 . 1 1 105 105 LEU HB3 H 1 1.267 0.01 . 2 . . . . 991 LEU HB3 . 15722 1 953 . 1 1 105 105 LEU C C 13 171.269 0.05 . 1 . . . . 991 LEU C . 15722 1 954 . 1 1 105 105 LEU CA C 13 50.37 0.05 . 1 . . . . 991 LEU CA . 15722 1 955 . 1 1 105 105 LEU CB C 13 43.49 0.05 . 1 . . . . 991 LEU CB . 15722 1 956 . 1 1 105 105 LEU CD1 C 13 23.315 0.05 . 2 . . . . 991 LEU CD1 . 15722 1 957 . 1 1 105 105 LEU CD2 C 13 23.315 0.05 . 2 . . . . 991 LEU CD2 . 15722 1 958 . 1 1 105 105 LEU CG C 13 24.472 0.05 . 1 . . . . 991 LEU CG . 15722 1 959 . 1 1 105 105 LEU N N 15 126.8 0.1 . 1 . . . . 991 LEU N . 15722 1 960 . 1 1 106 106 LEU H H 1 9.375 0.01 . 1 . . . . 992 LEU H . 15722 1 961 . 1 1 106 106 LEU HA H 1 4.409 0.01 . 1 . . . . 992 LEU HA . 15722 1 962 . 1 1 106 106 LEU HB2 H 1 2.279 0.01 . 2 . . . . 992 LEU HB2 . 15722 1 963 . 1 1 106 106 LEU HB3 H 1 2.279 0.01 . 2 . . . . 992 LEU HB3 . 15722 1 964 . 1 1 106 106 LEU HD21 H 1 0.46 0.01 . 2 . . . . 992 LEU MD2 . 15722 1 965 . 1 1 106 106 LEU HD22 H 1 0.46 0.01 . 2 . . . . 992 LEU MD2 . 15722 1 966 . 1 1 106 106 LEU HD23 H 1 0.46 0.01 . 2 . . . . 992 LEU MD2 . 15722 1 967 . 1 1 106 106 LEU HG H 1 1.311 0.01 . 1 . . . . 992 LEU HG . 15722 1 968 . 1 1 106 106 LEU C C 13 171.932 0.05 . 1 . . . . 992 LEU C . 15722 1 969 . 1 1 106 106 LEU CA C 13 51.03 0.05 . 1 . . . . 992 LEU CA . 15722 1 970 . 1 1 106 106 LEU CB C 13 39.02 0.05 . 1 . . . . 992 LEU CB . 15722 1 971 . 1 1 106 106 LEU CD1 C 13 22.653 0.05 . 2 . . . . 992 LEU CD1 . 15722 1 972 . 1 1 106 106 LEU CD2 C 13 22.653 0.05 . 2 . . . . 992 LEU CD2 . 15722 1 973 . 1 1 106 106 LEU CG C 13 24.341 0.05 . 1 . . . . 992 LEU CG . 15722 1 974 . 1 1 106 106 LEU N N 15 128.5 0.01 . 1 . . . . 992 LEU N . 15722 1 975 . 1 1 107 107 VAL H H 1 8.750 0.01 . 1 . . . . 993 VAL H . 15722 1 976 . 1 1 107 107 VAL HA H 1 4.543 0.01 . 1 . . . . 993 VAL HA . 15722 1 977 . 1 1 107 107 VAL HB H 1 2.21 0.01 . 1 . . . . 993 VAL HB . 15722 1 978 . 1 1 107 107 VAL HG11 H 1 0.757 0.01 . 2 . . . . 993 VAL MG1 . 15722 1 979 . 1 1 107 107 VAL HG12 H 1 0.757 0.01 . 2 . . . . 993 VAL MG1 . 15722 1 980 . 1 1 107 107 VAL HG13 H 1 0.757 0.01 . 2 . . . . 993 VAL MG1 . 15722 1 981 . 1 1 107 107 VAL HG21 H 1 0.095 0.01 . 2 . . . . 993 VAL MG2 . 15722 1 982 . 1 1 107 107 VAL HG22 H 1 0.095 0.01 . 2 . . . . 993 VAL MG2 . 15722 1 983 . 1 1 107 107 VAL HG23 H 1 0.095 0.01 . 2 . . . . 993 VAL MG2 . 15722 1 984 . 1 1 107 107 VAL C C 13 171.806 0.05 . 1 . . . . 993 VAL C . 15722 1 985 . 1 1 107 107 VAL CA C 13 58.875 0.05 . 1 . . . . 993 VAL CA . 15722 1 986 . 1 1 107 107 VAL CB C 13 29.565 0.05 . 1 . . . . 993 VAL CB . 15722 1 987 . 1 1 107 107 VAL CG1 C 13 19.043 0.05 . 2 . . . . 993 VAL CG1 . 15722 1 988 . 1 1 107 107 VAL CG2 C 13 19.053 0.05 . 2 . . . . 993 VAL CG2 . 15722 1 989 . 1 1 107 107 VAL N N 15 128.173 0.1 . 1 . . . . 993 VAL N . 15722 1 990 . 1 1 108 108 TYR H H 1 8.581 0.01 . 1 . . . . 994 TYR H . 15722 1 991 . 1 1 108 108 TYR HA H 1 5.516 0.01 . 1 . . . . 994 TYR HA . 15722 1 992 . 1 1 108 108 TYR HB2 H 1 3.130 0.01 . 2 . . . . 994 TYR HB2 . 15722 1 993 . 1 1 108 108 TYR HB3 H 1 2.524 0.01 . 2 . . . . 994 TYR HB3 . 15722 1 994 . 1 1 108 108 TYR C C 13 169.228 0.05 . 1 . . . . 994 TYR C . 15722 1 995 . 1 1 108 108 TYR CA C 13 52.501 0.05 . 1 . . . . 994 TYR CA . 15722 1 996 . 1 1 108 108 TYR CB C 13 38.438 0.05 . 1 . . . . 994 TYR CB . 15722 1 997 . 1 1 108 108 TYR N N 15 123.406 0.1 . 1 . . . . 994 TYR N . 15722 1 998 . 1 1 109 109 LYS H H 1 8.026 0.01 . 1 . . . . 995 LYS H . 15722 1 999 . 1 1 109 109 LYS HA H 1 5.263 0.01 . 1 . . . . 995 LYS HA . 15722 1 1000 . 1 1 109 109 LYS HB2 H 1 1.920 0.01 . 2 . . . . 995 LYS HB2 . 15722 1 1001 . 1 1 109 109 LYS HB3 H 1 1.665 0.01 . 2 . . . . 995 LYS HB3 . 15722 1 1002 . 1 1 109 109 LYS HG2 H 1 1.332 0.01 . 2 . . . . 995 LYS HG2 . 15722 1 1003 . 1 1 109 109 LYS HG3 H 1 1.332 0.01 . 2 . . . . 995 LYS HG3 . 15722 1 1004 . 1 1 109 109 LYS C C 13 172.234 0.05 . 1 . . . . 995 LYS C . 15722 1 1005 . 1 1 109 109 LYS CA C 13 49.91 0.05 . 1 . . . . 995 LYS CA . 15722 1 1006 . 1 1 109 109 LYS CB C 13 33.82 0.05 . 1 . . . . 995 LYS CB . 15722 1 1007 . 1 1 109 109 LYS CD C 13 27.091 0.05 . 1 . . . . 995 LYS CD . 15722 1 1008 . 1 1 109 109 LYS CG C 13 20.944 0.05 . 1 . . . . 995 LYS CG . 15722 1 1009 . 1 1 109 109 LYS N N 15 115.629 0.1 . 1 . . . . 995 LYS N . 15722 1 1010 . 1 1 110 110 TYR H H 1 8.195 0.01 . 1 . . . . 996 TYR H . 15722 1 1011 . 1 1 110 110 TYR HA H 1 4.878 0.01 . 1 . . . . 996 TYR HA . 15722 1 1012 . 1 1 110 110 TYR HB2 H 1 3.256 0.01 . 2 . . . . 996 TYR HB2 . 15722 1 1013 . 1 1 110 110 TYR HB3 H 1 2.626 0.01 . 2 . . . . 996 TYR HB3 . 15722 1 1014 . 1 1 110 110 TYR C C 13 172.777 0.05 . 1 . . . . 996 TYR C . 15722 1 1015 . 1 1 110 110 TYR CA C 13 52.834 0.05 . 1 . . . . 996 TYR CA . 15722 1 1016 . 1 1 110 110 TYR CB C 13 36.995 0.05 . 1 . . . . 996 TYR CB . 15722 1 1017 . 1 1 110 110 TYR N N 15 116.424 0.1 . 1 . . . . 996 TYR N . 15722 1 1018 . 1 1 111 111 SER H H 1 7.337 0.01 . 1 . . . . 997 SER H . 15722 1 1019 . 1 1 111 111 SER HA H 1 4.51 0.01 . 1 . . . . 997 SER HA . 15722 1 1020 . 1 1 111 111 SER HB2 H 1 3.856 0.01 . 2 . . . . 997 SER HB2 . 15722 1 1021 . 1 1 111 111 SER HB3 H 1 3.856 0.01 . 2 . . . . 997 SER HB3 . 15722 1 1022 . 1 1 111 111 SER C C 13 171.294 0.05 . 1 . . . . 997 SER C . 15722 1 1023 . 1 1 111 111 SER CA C 13 56.11 0.05 . 1 . . . . 997 SER CA . 15722 1 1024 . 1 1 111 111 SER CB C 13 61.77 0.05 . 1 . . . . 997 SER CB . 15722 1 1025 . 1 1 111 111 SER N N 15 116.664 0.1 . 1 . . . . 997 SER N . 15722 1 1026 . 1 1 112 112 GLY H H 1 8.667 0.01 . 1 . . . . 998 GLY H . 15722 1 1027 . 1 1 112 112 GLY HA2 H 1 4.209 0.01 . 2 . . . . 998 GLY HA2 . 15722 1 1028 . 1 1 112 112 GLY HA3 H 1 3.81 0.01 . 2 . . . . 998 GLY HA3 . 15722 1 1029 . 1 1 112 112 GLY C C 13 170.280 0.05 . 1 . . . . 998 GLY C . 15722 1 1030 . 1 1 112 112 GLY CA C 13 43.26 0.05 . 1 . . . . 998 GLY CA . 15722 1 1031 . 1 1 112 112 GLY N N 15 109.961 0.1 . 1 . . . . 998 GLY N . 15722 1 1032 . 1 1 113 113 SER H H 1 7.907 0.01 . 1 . . . . 999 SER H . 15722 1 1033 . 1 1 113 113 SER HA H 1 4.257 0.01 . 1 . . . . 999 SER HA . 15722 1 1034 . 1 1 113 113 SER HB2 H 1 3.711 0.01 . 2 . . . . 999 SER HB2 . 15722 1 1035 . 1 1 113 113 SER HB3 H 1 3.553 0.01 . 2 . . . . 999 SER HB3 . 15722 1 1036 . 1 1 113 113 SER C C 13 167.888 0.05 . 1 . . . . 999 SER C . 15722 1 1037 . 1 1 113 113 SER CA C 13 56.26 0.05 . 1 . . . . 999 SER CA . 15722 1 1038 . 1 1 113 113 SER CB C 13 65.838 0.05 . 1 . . . . 999 SER CB . 15722 1 1039 . 1 1 113 113 SER N N 15 115.066 0.1 . 1 . . . . 999 SER N . 15722 1 1040 . 1 1 114 114 GLY H H 1 5.904 0.01 . 1 . . . . 1000 GLY H . 15722 1 1041 . 1 1 114 114 GLY HA2 H 1 3.229 0.01 . 2 . . . . 1000 GLY HA2 . 15722 1 1042 . 1 1 114 114 GLY HA3 H 1 2.952 0.01 . 2 . . . . 1000 GLY HA3 . 15722 1 1043 . 1 1 114 114 GLY C C 13 167.047 0.05 . 1 . . . . 1000 GLY C . 15722 1 1044 . 1 1 114 114 GLY CA C 13 42.787 0.05 . 1 . . . . 1000 GLY CA . 15722 1 1045 . 1 1 114 114 GLY N N 15 105.718 0.1 . 1 . . . . 1000 GLY N . 15722 1 1046 . 1 1 115 115 ASN H H 1 9.322 0.01 . 1 . . . . 1001 ASN H . 15722 1 1047 . 1 1 115 115 ASN HA H 1 4.994 0.01 . 1 . . . . 1001 ASN HA . 15722 1 1048 . 1 1 115 115 ASN HB2 H 1 2.654 0.01 . 2 . . . . 1001 ASN HB2 . 15722 1 1049 . 1 1 115 115 ASN HB3 H 1 2.552 0.01 . 2 . . . . 1001 ASN HB3 . 15722 1 1050 . 1 1 115 115 ASN C C 13 171.262 0.05 . 1 . . . . 1001 ASN C . 15722 1 1051 . 1 1 115 115 ASN CA C 13 49.895 0.05 . 1 . . . . 1001 ASN CA . 15722 1 1052 . 1 1 115 115 ASN CB C 13 38.83 0.05 . 1 . . . . 1001 ASN CB . 15722 1 1053 . 1 1 115 115 ASN N N 15 119.078 0.1 . 1 . . . . 1001 ASN N . 15722 1 1054 . 1 1 116 116 TYR H H 1 8.528 0.01 . 1 . . . . 1002 TYR H . 15722 1 1055 . 1 1 116 116 TYR HA H 1 5.463 0.01 . 1 . . . . 1002 TYR HA . 15722 1 1056 . 1 1 116 116 TYR HB2 H 1 2.912 0.01 . 2 . . . . 1002 TYR HB2 . 15722 1 1057 . 1 1 116 116 TYR HB3 H 1 2.763 0.01 . 2 . . . . 1002 TYR HB3 . 15722 1 1058 . 1 1 116 116 TYR HD1 H 1 6.449 0.01 . 3 . . . . 1002 TYR HD1 . 15722 1 1059 . 1 1 116 116 TYR HE2 H 1 6.629 0.01 . 3 . . . . 1002 TYR HE2 . 15722 1 1060 . 1 1 116 116 TYR C C 13 170.654 0.05 . 1 . . . . 1002 TYR C . 15722 1 1061 . 1 1 116 116 TYR CA C 13 54.19 0.05 . 1 . . . . 1002 TYR CA . 15722 1 1062 . 1 1 116 116 TYR CB C 13 39.094 0.05 . 1 . . . . 1002 TYR CB . 15722 1 1063 . 1 1 116 116 TYR N N 15 115.2 0.1 . 1 . . . . 1002 TYR N . 15722 1 1064 . 1 1 117 117 GLU H H 1 8.895 0.01 . 1 . . . . 1003 GLU H . 15722 1 1065 . 1 1 117 117 GLU HA H 1 5.196 0.01 . 1 . . . . 1003 GLU HA . 15722 1 1066 . 1 1 117 117 GLU HB2 H 1 1.791 0.01 . 2 . . . . 1003 GLU HB2 . 15722 1 1067 . 1 1 117 117 GLU HB3 H 1 1.791 0.01 . 2 . . . . 1003 GLU HB3 . 15722 1 1068 . 1 1 117 117 GLU HG2 H 1 2.13 0.01 . 2 . . . . 1003 GLU HG2 . 15722 1 1069 . 1 1 117 117 GLU C C 13 171.970 0.05 . 1 . . . . 1003 GLU C . 15722 1 1070 . 1 1 117 117 GLU CA C 13 51.89 0.05 . 1 . . . . 1003 GLU CA . 15722 1 1071 . 1 1 117 117 GLU CB C 13 31.468 0.05 . 1 . . . . 1003 GLU CB . 15722 1 1072 . 1 1 117 117 GLU CG C 13 34.975 0.05 . 1 . . . . 1003 GLU CG . 15722 1 1073 . 1 1 117 117 GLU N N 15 119.3 0.1 . 1 . . . . 1003 GLU N . 15722 1 1074 . 1 1 118 118 LEU H H 1 9.283 0.01 . 1 . . . . 1004 LEU H . 15722 1 1075 . 1 1 118 118 LEU HA H 1 5.196 0.01 . 1 . . . . 1004 LEU HA . 15722 1 1076 . 1 1 118 118 LEU HB2 H 1 1.329 0.01 . 2 . . . . 1004 LEU HB2 . 15722 1 1077 . 1 1 118 118 LEU HB3 H 1 0.937 0.01 . 2 . . . . 1004 LEU HB3 . 15722 1 1078 . 1 1 118 118 LEU C C 13 171.832 0.05 . 1 . . . . 1004 LEU C . 15722 1 1079 . 1 1 118 118 LEU CA C 13 51.05 0.05 . 1 . . . . 1004 LEU CA . 15722 1 1080 . 1 1 118 118 LEU CB C 13 44.8 0.05 . 1 . . . . 1004 LEU CB . 15722 1 1081 . 1 1 118 118 LEU CD1 C 13 19.920 0.05 . 2 . . . . 1004 LEU CD1 . 15722 1 1082 . 1 1 118 118 LEU CD2 C 13 19.920 0.05 . 2 . . . . 1004 LEU CD2 . 15722 1 1083 . 1 1 118 118 LEU CG C 13 23.492 0.05 . 1 . . . . 1004 LEU CG . 15722 1 1084 . 1 1 118 118 LEU N N 15 124.9 0.1 . 1 . . . . 1004 LEU N . 15722 1 1085 . 1 1 119 119 ARG H H 1 8.835 0.01 . 1 . . . . 1005 ARG H . 15722 1 1086 . 1 1 119 119 ARG HA H 1 4.48 0.01 . 1 . . . . 1005 ARG HA . 15722 1 1087 . 1 1 119 119 ARG HB2 H 1 1.603 0.01 . 2 . . . . 1005 ARG HB2 . 15722 1 1088 . 1 1 119 119 ARG HB3 H 1 1.603 0.01 . 2 . . . . 1005 ARG HB3 . 15722 1 1089 . 1 1 119 119 ARG C C 13 170.649 0.05 . 1 . . . . 1005 ARG C . 15722 1 1090 . 1 1 119 119 ARG CA C 13 52.23 0.05 . 1 . . . . 1005 ARG CA . 15722 1 1091 . 1 1 119 119 ARG CB C 13 31.57 0.05 . 1 . . . . 1005 ARG CB . 15722 1 1092 . 1 1 119 119 ARG CD C 13 40.456 0.05 . 1 . . . . 1005 ARG CD . 15722 1 1093 . 1 1 119 119 ARG CG C 13 24.884 0.05 . 1 . . . . 1005 ARG CG . 15722 1 1094 . 1 1 119 119 ARG N N 15 125.6 0.1 . 1 . . . . 1005 ARG N . 15722 1 1095 . 1 1 120 120 VAL H H 1 8.185 0.01 . 1 . . . . 1006 VAL H . 15722 1 1096 . 1 1 120 120 VAL HA H 1 5.101 0.01 . 1 . . . . 1006 VAL HA . 15722 1 1097 . 1 1 120 120 VAL HB H 1 1.401 0.01 . 1 . . . . 1006 VAL HB . 15722 1 1098 . 1 1 120 120 VAL HG21 H 1 0.015 0.01 . 2 . . . . 1006 VAL MG2 . 15722 1 1099 . 1 1 120 120 VAL HG22 H 1 0.015 0.01 . 2 . . . . 1006 VAL MG2 . 15722 1 1100 . 1 1 120 120 VAL HG23 H 1 0.015 0.01 . 2 . . . . 1006 VAL MG2 . 15722 1 1101 . 1 1 120 120 VAL C C 13 171.121 0.05 . 1 . . . . 1006 VAL C . 15722 1 1102 . 1 1 120 120 VAL CA C 13 58.62 0.05 . 1 . . . . 1006 VAL CA . 15722 1 1103 . 1 1 120 120 VAL CB C 13 29.09 0.05 . 1 . . . . 1006 VAL CB . 15722 1 1104 . 1 1 120 120 VAL CG1 C 13 17.445 0.05 . 2 . . . . 1006 VAL CG1 . 15722 1 1105 . 1 1 120 120 VAL CG2 C 13 17.445 0.05 . 2 . . . . 1006 VAL CG2 . 15722 1 1106 . 1 1 120 120 VAL N N 15 123.7 0.1 . 1 . . . . 1006 VAL N . 15722 1 1107 . 1 1 121 121 ASN H H 1 8.30 0.01 . 1 . . . . 1007 ASN H . 15722 1 1108 . 1 1 121 121 ASN HA H 1 5.105 0.01 . 1 . . . . 1007 ASN HA . 15722 1 1109 . 1 1 121 121 ASN HB2 H 1 2.296 0.01 . 2 . . . . 1007 ASN HB2 . 15722 1 1110 . 1 1 121 121 ASN HB3 H 1 2.296 0.01 . 2 . . . . 1007 ASN HB3 . 15722 1 1111 . 1 1 121 121 ASN C C 13 170.495 0.05 . 1 . . . . 1007 ASN C . 15722 1 1112 . 1 1 121 121 ASN CA C 13 49.74 0.05 . 1 . . . . 1007 ASN CA . 15722 1 1113 . 1 1 121 121 ASN CB C 13 39.04 0.05 . 1 . . . . 1007 ASN CB . 15722 1 1114 . 1 1 121 121 ASN N N 15 124.5 0.1 . 1 . . . . 1007 ASN N . 15722 1 1115 . 1 1 122 122 LYS H H 1 8.183 0.01 . 1 . . . . 1008 LYS H . 15722 1 1116 . 1 1 122 122 LYS CA C 13 55.14 0.05 . 1 . . . . 1008 LYS CA . 15722 1 1117 . 1 1 122 122 LYS CB C 13 32.19 0.05 . 1 . . . . 1008 LYS CB . 15722 1 1118 . 1 1 122 122 LYS N N 15 124.9 0.1 . 1 . . . . 1008 LYS N . 15722 1 stop_ save_