data_26526 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26526 _Entry.Title ; UBCH10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-02 _Entry.Accession_date 2015-03-02 _Entry.Last_release_date 2015-06-17 _Entry.Original_release_date 2015-06-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Christy Grace . R. . . 26526 2 Nicholus Brown . G. . . 26526 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26526 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 26526 '15N chemical shifts' 135 26526 '1H chemical shifts' 135 26526 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-12-21 2015-03-03 update BMRB 'update entry citation' 26526 1 . . 2015-06-17 2015-03-03 original author 'original release' 26526 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26527 WHB 26526 BMRB 26528 'UBCH10 in complex with WHB' 26526 BMRB 26529 'WHB in complex with UBCH10' 26526 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26526 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25825779 _Citation.Full_citation . _Citation.Title ; RING E3 mechanism for ubiquitin ligation to a disordered substrate visualized for human anaphase-promoting complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 112 _Citation.Journal_volume 17 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5272 _Citation.Page_last 5279 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicholas Brown . G. . . 26526 1 2 Ryan VanderLinden . . . . 26526 1 3 Edmond Watson . R. . . 26526 1 4 Renping Qiao . . . . 26526 1 5 Christy Grace . R. . . 26526 1 6 Masaya Yamaguchi . . . . 26526 1 7 Florian Weissmann . . . . 26526 1 8 Jeremiah Frye . J. . . 26526 1 9 Prakash Dube . . . . 26526 1 10 Shein Cho . E. . . 26526 1 11 Marcelo Actis . L. . . 26526 1 12 Patrick Rodrigues . . . . 26526 1 13 Naoaki Fujii . . . . 26526 1 14 Jan-Michael Peters . . . . 26526 1 15 Holger Stark . . . . 26526 1 16 Brenda Schulman . A. . . 26526 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26526 _Assembly.ID 1 _Assembly.Name UBCH10 _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 molecule_2 1 $Molecule_2 A . yes native no no . . . 26526 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Molecule_2 _Entity.Sf_category entity _Entity.Sf_framecode Molecule_2 _Entity.Entry_ID 26526 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Molecule_2 _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 ; MASQNRDPAATSVAAARKGA EPSGGGARGPVGKRLQQELM TLMMSGDKGISAFPESDNLF KWVGTIHGAAGTVYEDLRYK LSLEFPSGYPYNAPTVKFLT PCYHPNVDTQGNISLDILKE KWSALYDVRTILLSIQSLLG EPNIDSPLNTHAAELWKNPT AFKKYLQETYSKQVTSQEPG SHHHHHH ; _Entity.Polymer_seq_one_letter_code ; MASQNRDPAATSVAAARKGA EPSGGGARGPVGKRLQQELM TLMMSGDKGISAFPESDNLF KWVGTIHGAAGTVYEDLRYK LSLEFPSGYPYNAPTVKFLT PCYHPNVDTQGNISLDILKE KWSALYDVRTILLSIQSLLG EPNIDSPLNTHAAELWKNPT AFKKYLQETYSKQVTSQEPG SHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1 MET . 26526 1 2 2 ALA . 26526 1 3 3 SER . 26526 1 4 4 GLN . 26526 1 5 5 ASN . 26526 1 6 6 ARG . 26526 1 7 7 ASP . 26526 1 8 8 PRO . 26526 1 9 9 ALA . 26526 1 10 10 ALA . 26526 1 11 11 THR . 26526 1 12 12 SER . 26526 1 13 13 VAL . 26526 1 14 14 ALA . 26526 1 15 15 ALA . 26526 1 16 16 ALA . 26526 1 17 17 ARG . 26526 1 18 18 LYS . 26526 1 19 19 GLY . 26526 1 20 20 ALA . 26526 1 21 21 GLU . 26526 1 22 22 PRO . 26526 1 23 23 SER . 26526 1 24 24 GLY . 26526 1 25 25 GLY . 26526 1 26 26 GLY . 26526 1 27 27 ALA . 26526 1 28 28 ARG . 26526 1 29 29 GLY . 26526 1 30 30 PRO . 26526 1 31 31 VAL . 26526 1 32 32 GLY . 26526 1 33 33 LYS . 26526 1 34 34 ARG . 26526 1 35 35 LEU . 26526 1 36 36 GLN . 26526 1 37 37 GLN . 26526 1 38 38 GLU . 26526 1 39 39 LEU . 26526 1 40 40 MET . 26526 1 41 41 THR . 26526 1 42 42 LEU . 26526 1 43 43 MET . 26526 1 44 44 MET . 26526 1 45 45 SER . 26526 1 46 46 GLY . 26526 1 47 47 ASP . 26526 1 48 48 LYS . 26526 1 49 49 GLY . 26526 1 50 50 ILE . 26526 1 51 51 SER . 26526 1 52 52 ALA . 26526 1 53 53 PHE . 26526 1 54 54 PRO . 26526 1 55 55 GLU . 26526 1 56 56 SER . 26526 1 57 57 ASP . 26526 1 58 58 ASN . 26526 1 59 59 LEU . 26526 1 60 60 PHE . 26526 1 61 61 LYS . 26526 1 62 62 TRP . 26526 1 63 63 VAL . 26526 1 64 64 GLY . 26526 1 65 65 THR . 26526 1 66 66 ILE . 26526 1 67 67 HIS . 26526 1 68 68 GLY . 26526 1 69 69 ALA . 26526 1 70 70 ALA . 26526 1 71 71 GLY . 26526 1 72 72 THR . 26526 1 73 73 VAL . 26526 1 74 74 TYR . 26526 1 75 75 GLU . 26526 1 76 76 ASP . 26526 1 77 77 LEU . 26526 1 78 78 ARG . 26526 1 79 79 TYR . 26526 1 80 80 LYS . 26526 1 81 81 LEU . 26526 1 82 82 SER . 26526 1 83 83 LEU . 26526 1 84 84 GLU . 26526 1 85 85 PHE . 26526 1 86 86 PRO . 26526 1 87 87 SER . 26526 1 88 88 GLY . 26526 1 89 89 TYR . 26526 1 90 90 PRO . 26526 1 91 91 TYR . 26526 1 92 92 ASN . 26526 1 93 93 ALA . 26526 1 94 94 PRO . 26526 1 95 95 THR . 26526 1 96 96 VAL . 26526 1 97 97 LYS . 26526 1 98 98 PHE . 26526 1 99 99 LEU . 26526 1 100 100 THR . 26526 1 101 101 PRO . 26526 1 102 102 CYS . 26526 1 103 103 TYR . 26526 1 104 104 HIS . 26526 1 105 105 PRO . 26526 1 106 106 ASN . 26526 1 107 107 VAL . 26526 1 108 108 ASP . 26526 1 109 109 THR . 26526 1 110 110 GLN . 26526 1 111 111 GLY . 26526 1 112 112 ASN . 26526 1 113 113 ILE . 26526 1 114 114 SER . 26526 1 115 115 LEU . 26526 1 116 116 ASP . 26526 1 117 117 ILE . 26526 1 118 118 LEU . 26526 1 119 119 LYS . 26526 1 120 120 GLU . 26526 1 121 121 LYS . 26526 1 122 122 TRP . 26526 1 123 123 SER . 26526 1 124 124 ALA . 26526 1 125 125 LEU . 26526 1 126 126 TYR . 26526 1 127 127 ASP . 26526 1 128 128 VAL . 26526 1 129 129 ARG . 26526 1 130 130 THR . 26526 1 131 131 ILE . 26526 1 132 132 LEU . 26526 1 133 133 LEU . 26526 1 134 134 SER . 26526 1 135 135 ILE . 26526 1 136 136 GLN . 26526 1 137 137 SER . 26526 1 138 138 LEU . 26526 1 139 139 LEU . 26526 1 140 140 GLY . 26526 1 141 141 GLU . 26526 1 142 142 PRO . 26526 1 143 143 ASN . 26526 1 144 144 ILE . 26526 1 145 145 ASP . 26526 1 146 146 SER . 26526 1 147 147 PRO . 26526 1 148 148 LEU . 26526 1 149 149 ASN . 26526 1 150 150 THR . 26526 1 151 151 HIS . 26526 1 152 152 ALA . 26526 1 153 153 ALA . 26526 1 154 154 GLU . 26526 1 155 155 LEU . 26526 1 156 156 TRP . 26526 1 157 157 LYS . 26526 1 158 158 ASN . 26526 1 159 159 PRO . 26526 1 160 160 THR . 26526 1 161 161 ALA . 26526 1 162 162 PHE . 26526 1 163 163 LYS . 26526 1 164 164 LYS . 26526 1 165 165 TYR . 26526 1 166 166 LEU . 26526 1 167 167 GLN . 26526 1 168 168 GLU . 26526 1 169 169 THR . 26526 1 170 170 TYR . 26526 1 171 171 SER . 26526 1 172 172 LYS . 26526 1 173 173 GLN . 26526 1 174 174 VAL . 26526 1 175 175 THR . 26526 1 176 176 SER . 26526 1 177 177 GLN . 26526 1 178 178 GLU . 26526 1 179 179 PRO . 26526 1 180 180 GLY . 26526 1 181 181 SER . 26526 1 182 182 HIS . 26526 1 183 183 HIS . 26526 1 184 184 HIS . 26526 1 185 185 HIS . 26526 1 186 186 HIS . 26526 1 187 187 HIS . 26526 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 . MET 1 1 26526 1 . ALA 2 2 26526 1 . SER 3 3 26526 1 . GLN 4 4 26526 1 . ASN 5 5 26526 1 . ARG 6 6 26526 1 . ASP 7 7 26526 1 . PRO 8 8 26526 1 . ALA 9 9 26526 1 . ALA 10 10 26526 1 . THR 11 11 26526 1 . SER 12 12 26526 1 . VAL 13 13 26526 1 . ALA 14 14 26526 1 . ALA 15 15 26526 1 . ALA 16 16 26526 1 . ARG 17 17 26526 1 . LYS 18 18 26526 1 . GLY 19 19 26526 1 . ALA 20 20 26526 1 . GLU 21 21 26526 1 . PRO 22 22 26526 1 . SER 23 23 26526 1 . GLY 24 24 26526 1 . GLY 25 25 26526 1 . GLY 26 26 26526 1 . ALA 27 27 26526 1 . ARG 28 28 26526 1 . GLY 29 29 26526 1 . PRO 30 30 26526 1 . VAL 31 31 26526 1 . GLY 32 32 26526 1 . LYS 33 33 26526 1 . ARG 34 34 26526 1 . LEU 35 35 26526 1 . GLN 36 36 26526 1 . GLN 37 37 26526 1 . GLU 38 38 26526 1 . LEU 39 39 26526 1 . MET 40 40 26526 1 . THR 41 41 26526 1 . LEU 42 42 26526 1 . MET 43 43 26526 1 . MET 44 44 26526 1 . SER 45 45 26526 1 . GLY 46 46 26526 1 . ASP 47 47 26526 1 . LYS 48 48 26526 1 . GLY 49 49 26526 1 . ILE 50 50 26526 1 . SER 51 51 26526 1 . ALA 52 52 26526 1 . PHE 53 53 26526 1 . PRO 54 54 26526 1 . GLU 55 55 26526 1 . SER 56 56 26526 1 . ASP 57 57 26526 1 . ASN 58 58 26526 1 . LEU 59 59 26526 1 . PHE 60 60 26526 1 . LYS 61 61 26526 1 . TRP 62 62 26526 1 . VAL 63 63 26526 1 . GLY 64 64 26526 1 . THR 65 65 26526 1 . ILE 66 66 26526 1 . HIS 67 67 26526 1 . GLY 68 68 26526 1 . ALA 69 69 26526 1 . ALA 70 70 26526 1 . GLY 71 71 26526 1 . THR 72 72 26526 1 . VAL 73 73 26526 1 . TYR 74 74 26526 1 . GLU 75 75 26526 1 . ASP 76 76 26526 1 . LEU 77 77 26526 1 . ARG 78 78 26526 1 . TYR 79 79 26526 1 . LYS 80 80 26526 1 . LEU 81 81 26526 1 . SER 82 82 26526 1 . LEU 83 83 26526 1 . GLU 84 84 26526 1 . PHE 85 85 26526 1 . PRO 86 86 26526 1 . SER 87 87 26526 1 . GLY 88 88 26526 1 . TYR 89 89 26526 1 . PRO 90 90 26526 1 . TYR 91 91 26526 1 . ASN 92 92 26526 1 . ALA 93 93 26526 1 . PRO 94 94 26526 1 . THR 95 95 26526 1 . VAL 96 96 26526 1 . LYS 97 97 26526 1 . PHE 98 98 26526 1 . LEU 99 99 26526 1 . THR 100 100 26526 1 . PRO 101 101 26526 1 . CYS 102 102 26526 1 . TYR 103 103 26526 1 . HIS 104 104 26526 1 . PRO 105 105 26526 1 . ASN 106 106 26526 1 . VAL 107 107 26526 1 . ASP 108 108 26526 1 . THR 109 109 26526 1 . GLN 110 110 26526 1 . GLY 111 111 26526 1 . ASN 112 112 26526 1 . ILE 113 113 26526 1 . SER 114 114 26526 1 . LEU 115 115 26526 1 . ASP 116 116 26526 1 . ILE 117 117 26526 1 . LEU 118 118 26526 1 . LYS 119 119 26526 1 . GLU 120 120 26526 1 . LYS 121 121 26526 1 . TRP 122 122 26526 1 . SER 123 123 26526 1 . ALA 124 124 26526 1 . LEU 125 125 26526 1 . TYR 126 126 26526 1 . ASP 127 127 26526 1 . VAL 128 128 26526 1 . ARG 129 129 26526 1 . THR 130 130 26526 1 . ILE 131 131 26526 1 . LEU 132 132 26526 1 . LEU 133 133 26526 1 . SER 134 134 26526 1 . ILE 135 135 26526 1 . GLN 136 136 26526 1 . SER 137 137 26526 1 . LEU 138 138 26526 1 . LEU 139 139 26526 1 . GLY 140 140 26526 1 . GLU 141 141 26526 1 . PRO 142 142 26526 1 . ASN 143 143 26526 1 . ILE 144 144 26526 1 . ASP 145 145 26526 1 . SER 146 146 26526 1 . PRO 147 147 26526 1 . LEU 148 148 26526 1 . ASN 149 149 26526 1 . THR 150 150 26526 1 . HIS 151 151 26526 1 . ALA 152 152 26526 1 . ALA 153 153 26526 1 . GLU 154 154 26526 1 . LEU 155 155 26526 1 . TRP 156 156 26526 1 . LYS 157 157 26526 1 . ASN 158 158 26526 1 . PRO 159 159 26526 1 . THR 160 160 26526 1 . ALA 161 161 26526 1 . PHE 162 162 26526 1 . LYS 163 163 26526 1 . LYS 164 164 26526 1 . TYR 165 165 26526 1 . LEU 166 166 26526 1 . GLN 167 167 26526 1 . GLU 168 168 26526 1 . THR 169 169 26526 1 . TYR 170 170 26526 1 . SER 171 171 26526 1 . LYS 172 172 26526 1 . GLN 173 173 26526 1 . VAL 174 174 26526 1 . THR 175 175 26526 1 . SER 176 176 26526 1 . GLN 177 177 26526 1 . GLU 178 178 26526 1 . PRO 179 179 26526 1 . GLY 180 180 26526 1 . SER 181 181 26526 1 . HIS 182 182 26526 1 . HIS 183 183 26526 1 . HIS 184 184 26526 1 . HIS 185 185 26526 1 . HIS 186 186 26526 1 . HIS 187 187 26526 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26526 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Molecule_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26526 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 26526 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Molecule_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . prsf1b . . . 26526 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26526 _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 Molecule_2 '[U-100% 13C; U-100% 15N]' . . 1 $Molecule_2 . . 0.5 . . mM . . . . 26526 1 2 DTT 'natural abundance' . . . . . . 0.01 . . mM . . . . 26526 1 3 'sodium chloride' 'natural abundance' . . . . . . 0.1 . . mM . . . . 26526 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26526 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26526 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26526 _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 . mM 26526 1 pH 6.0 . pH 26526 1 pressure 1 . atm 26526 1 temperature 298 . K 26526 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26526 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26526 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26526 1 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 26526 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26526 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26526 _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 . 600 . . . 26526 1 2 spectrometer_2 Bruker Avance . 800 . . . 26526 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 26526 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26526 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26526 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26526 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26526 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26526 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26526 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 26526 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26526 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 26526 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26526 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 26526 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26526 1 2 '3D HNCA' . . . 26526 1 3 '3D HNCACB' . . . 26526 1 4 '3D HNCO' . . . 26526 1 5 '3D CBCA(CO)NH' . . . 26526 1 6 '3D HN(CA)CO' . . . 26526 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 26 26 GLY H H 1 8.485 0.020 . 1 . . . . 26 GLY H . 26526 1 2 . 1 1 26 26 GLY C C 13 174.662 0.3 . 1 . . . . 26 GLY C . 26526 1 3 . 1 1 26 26 GLY CA C 13 45.446 0.3 . 1 . . . . 26 GLY CA . 26526 1 4 . 1 1 26 26 GLY N N 15 110.510 0.3 . 1 . . . . 26 GLY N . 26526 1 5 . 1 1 27 27 ALA H H 1 8.252 0.020 . 1 . . . . 27 ALA H . 26526 1 6 . 1 1 27 27 ALA C C 13 177.814 0.3 . 1 . . . . 27 ALA C . 26526 1 7 . 1 1 27 27 ALA CA C 13 53.115 0.3 . 1 . . . . 27 ALA CA . 26526 1 8 . 1 1 27 27 ALA CB C 13 18.822 0.3 . 1 . . . . 27 ALA CB . 26526 1 9 . 1 1 27 27 ALA N N 15 124.830 0.3 . 1 . . . . 27 ALA N . 26526 1 10 . 1 1 28 28 ARG H H 1 8.245 0.020 . 1 . . . . 28 ARG H . 26526 1 11 . 1 1 28 28 ARG C C 13 177.088 0.3 . 1 . . . . 28 ARG C . 26526 1 12 . 1 1 28 28 ARG CA C 13 56.287 0.3 . 1 . . . . 28 ARG CA . 26526 1 13 . 1 1 28 28 ARG CB C 13 30.253 0.3 . 1 . . . . 28 ARG CB . 26526 1 14 . 1 1 28 28 ARG N N 15 118.587 0.3 . 1 . . . . 28 ARG N . 26526 1 15 . 1 1 29 29 GLY H H 1 8.084 0.020 . 1 . . . . 29 GLY H . 26526 1 16 . 1 1 29 29 GLY C C 13 172.999 0.3 . 1 . . . . 29 GLY C . 26526 1 17 . 1 1 29 29 GLY CA C 13 45.696 0.3 . 1 . . . . 29 GLY CA . 26526 1 18 . 1 1 29 29 GLY N N 15 109.711 0.3 . 1 . . . . 29 GLY N . 26526 1 19 . 1 1 31 31 VAL H H 1 8.178 0.020 . 1 . . . . 31 VAL H . 26526 1 20 . 1 1 31 31 VAL C C 13 177.566 0.3 . 1 . . . . 31 VAL C . 26526 1 21 . 1 1 31 31 VAL CA C 13 66.371 0.3 . 1 . . . . 31 VAL CA . 26526 1 22 . 1 1 31 31 VAL CB C 13 31.250 0.3 . 1 . . . . 31 VAL CB . 26526 1 23 . 1 1 31 31 VAL N N 15 121.155 0.3 . 1 . . . . 31 VAL N . 26526 1 24 . 1 1 32 32 GLY H H 1 8.144 0.020 . 1 . . . . 32 GLY H . 26526 1 25 . 1 1 32 32 GLY C C 13 175.786 0.3 . 1 . . . . 32 GLY C . 26526 1 26 . 1 1 32 32 GLY CA C 13 47.590 0.3 . 1 . . . . 32 GLY CA . 26526 1 27 . 1 1 32 32 GLY N N 15 109.262 0.3 . 1 . . . . 32 GLY N . 26526 1 28 . 1 1 33 33 LYS H H 1 7.795 0.020 . 1 . . . . 33 LYS H . 26526 1 29 . 1 1 33 33 LYS C C 13 179.276 0.3 . 1 . . . . 33 LYS C . 26526 1 30 . 1 1 33 33 LYS CA C 13 60.012 0.3 . 1 . . . . 33 LYS CA . 26526 1 31 . 1 1 33 33 LYS CB C 13 31.914 0.3 . 1 . . . . 33 LYS CB . 26526 1 32 . 1 1 33 33 LYS N N 15 120.631 0.3 . 1 . . . . 33 LYS N . 26526 1 33 . 1 1 34 34 ARG H H 1 7.529 0.020 . 1 . . . . 34 ARG H . 26526 1 34 . 1 1 34 34 ARG C C 13 178.339 0.3 . 1 . . . . 34 ARG C . 26526 1 35 . 1 1 34 34 ARG CA C 13 59.053 0.3 . 1 . . . . 34 ARG CA . 26526 1 36 . 1 1 34 34 ARG CB C 13 28.925 0.3 . 1 . . . . 34 ARG CB . 26526 1 37 . 1 1 34 34 ARG N N 15 121.494 0.3 . 1 . . . . 34 ARG N . 26526 1 38 . 1 1 35 35 LEU H H 1 8.304 0.020 . 1 . . . . 35 LEU H . 26526 1 39 . 1 1 35 35 LEU C C 13 179.276 0.3 . 1 . . . . 35 LEU C . 26526 1 40 . 1 1 35 35 LEU CA C 13 58.553 0.3 . 1 . . . . 35 LEU CA . 26526 1 41 . 1 1 35 35 LEU CB C 13 41.279 0.3 . 1 . . . . 35 LEU CB . 26526 1 42 . 1 1 35 35 LEU N N 15 120.717 0.3 . 1 . . . . 35 LEU N . 26526 1 43 . 1 1 36 36 GLN H H 1 8.022 0.020 . 1 . . . . 36 GLN H . 26526 1 44 . 1 1 36 36 GLN C C 13 178.620 0.3 . 1 . . . . 36 GLN C . 26526 1 45 . 1 1 36 36 GLN CA C 13 59.860 0.3 . 1 . . . . 36 GLN CA . 26526 1 46 . 1 1 36 36 GLN CB C 13 28.521 0.3 . 1 . . . . 36 GLN CB . 26526 1 47 . 1 1 36 36 GLN N N 15 118.184 0.3 . 1 . . . . 36 GLN N . 26526 1 48 . 1 1 37 37 GLN H H 1 7.768 0.020 . 1 . . . . 37 GLN H . 26526 1 49 . 1 1 37 37 GLN C C 13 179.065 0.3 . 1 . . . . 37 GLN C . 26526 1 50 . 1 1 37 37 GLN CA C 13 59.241 0.3 . 1 . . . . 37 GLN CA . 26526 1 51 . 1 1 37 37 GLN CB C 13 28.079 0.3 . 1 . . . . 37 GLN CB . 26526 1 52 . 1 1 37 37 GLN N N 15 120.390 0.3 . 1 . . . . 37 GLN N . 26526 1 53 . 1 1 38 38 GLU H H 1 8.786 0.020 . 1 . . . . 38 GLU H . 26526 1 54 . 1 1 38 38 GLU C C 13 180.742 0.3 . 1 . . . . 38 GLU C . 26526 1 55 . 1 1 38 38 GLU CA C 13 60.847 0.3 . 1 . . . . 38 GLU CA . 26526 1 56 . 1 1 38 38 GLU CB C 13 28.762 0.3 . 1 . . . . 38 GLU CB . 26526 1 57 . 1 1 38 38 GLU N N 15 121.656 0.3 . 1 . . . . 38 GLU N . 26526 1 58 . 1 1 39 39 LEU H H 1 8.319 0.020 . 1 . . . . 39 LEU H . 26526 1 59 . 1 1 39 39 LEU C C 13 178.292 0.3 . 1 . . . . 39 LEU C . 26526 1 60 . 1 1 39 39 LEU CA C 13 58.014 0.3 . 1 . . . . 39 LEU CA . 26526 1 61 . 1 1 39 39 LEU CB C 13 40.273 0.3 . 1 . . . . 39 LEU CB . 26526 1 62 . 1 1 39 39 LEU N N 15 122.166 0.3 . 1 . . . . 39 LEU N . 26526 1 63 . 1 1 40 40 MET H H 1 7.802 0.020 . 1 . . . . 40 MET H . 26526 1 64 . 1 1 40 40 MET C C 13 178.527 0.3 . 1 . . . . 40 MET C . 26526 1 65 . 1 1 40 40 MET CA C 13 59.218 0.3 . 1 . . . . 40 MET CA . 26526 1 66 . 1 1 40 40 MET CB C 13 31.379 0.3 . 1 . . . . 40 MET CB . 26526 1 67 . 1 1 40 40 MET N N 15 119.451 0.3 . 1 . . . . 40 MET N . 26526 1 68 . 1 1 41 41 THR H H 1 8.489 0.020 . 1 . . . . 41 THR H . 26526 1 69 . 1 1 41 41 THR C C 13 177.379 0.3 . 1 . . . . 41 THR C . 26526 1 70 . 1 1 41 41 THR CA C 13 66.679 0.3 . 1 . . . . 41 THR CA . 26526 1 71 . 1 1 41 41 THR CB C 13 68.402 0.3 . 1 . . . . 41 THR CB . 26526 1 72 . 1 1 41 41 THR N N 15 116.630 0.3 . 1 . . . . 41 THR N . 26526 1 73 . 1 1 42 42 LEU H H 1 7.969 0.020 . 1 . . . . 42 LEU H . 26526 1 74 . 1 1 42 42 LEU C C 13 179.258 0.3 . 1 . . . . 42 LEU C . 26526 1 75 . 1 1 42 42 LEU CA C 13 58.885 0.3 . 1 . . . . 42 LEU CA . 26526 1 76 . 1 1 42 42 LEU CB C 13 41.611 0.3 . 1 . . . . 42 LEU CB . 26526 1 77 . 1 1 42 42 LEU N N 15 124.624 0.3 . 1 . . . . 42 LEU N . 26526 1 78 . 1 1 43 43 MET H H 1 8.485 0.020 . 1 . . . . 43 MET H . 26526 1 79 . 1 1 43 43 MET C C 13 178.714 0.3 . 1 . . . . 43 MET C . 26526 1 80 . 1 1 43 43 MET CA C 13 59.209 0.3 . 1 . . . . 43 MET CA . 26526 1 81 . 1 1 43 43 MET CB C 13 33.362 0.3 . 1 . . . . 43 MET CB . 26526 1 82 . 1 1 43 43 MET N N 15 118.525 0.3 . 1 . . . . 43 MET N . 26526 1 83 . 1 1 44 44 MET H H 1 7.974 0.020 . 1 . . . . 44 MET H . 26526 1 84 . 1 1 44 44 MET C C 13 177.894 0.3 . 1 . . . . 44 MET C . 26526 1 85 . 1 1 44 44 MET CA C 13 56.259 0.3 . 1 . . . . 44 MET CA . 26526 1 86 . 1 1 44 44 MET CB C 13 32.289 0.3 . 1 . . . . 44 MET CB . 26526 1 87 . 1 1 44 44 MET N N 15 115.607 0.3 . 1 . . . . 44 MET N . 26526 1 88 . 1 1 45 45 SER H H 1 7.579 0.020 . 1 . . . . 45 SER H . 26526 1 89 . 1 1 45 45 SER C C 13 175.435 0.3 . 1 . . . . 45 SER C . 26526 1 90 . 1 1 45 45 SER CA C 13 61.568 0.3 . 1 . . . . 45 SER CA . 26526 1 91 . 1 1 45 45 SER CB C 13 63.648 0.3 . 1 . . . . 45 SER CB . 26526 1 92 . 1 1 45 45 SER N N 15 115.405 0.3 . 1 . . . . 45 SER N . 26526 1 93 . 1 1 46 46 GLY H H 1 7.782 0.020 . 1 . . . . 46 GLY H . 26526 1 94 . 1 1 46 46 GLY C C 13 174.920 0.3 . 1 . . . . 46 GLY C . 26526 1 95 . 1 1 46 46 GLY CA C 13 47.336 0.3 . 1 . . . . 46 GLY CA . 26526 1 96 . 1 1 46 46 GLY N N 15 108.900 0.3 . 1 . . . . 46 GLY N . 26526 1 97 . 1 1 47 47 ASP H H 1 8.117 0.020 . 1 . . . . 47 ASP H . 26526 1 98 . 1 1 47 47 ASP C C 13 176.208 0.3 . 1 . . . . 47 ASP C . 26526 1 99 . 1 1 47 47 ASP CA C 13 55.402 0.3 . 1 . . . . 47 ASP CA . 26526 1 100 . 1 1 47 47 ASP CB C 13 42.017 0.3 . 1 . . . . 47 ASP CB . 26526 1 101 . 1 1 47 47 ASP N N 15 119.623 0.3 . 1 . . . . 47 ASP N . 26526 1 102 . 1 1 48 48 LYS H H 1 8.599 0.020 . 1 . . . . 48 LYS H . 26526 1 103 . 1 1 48 48 LYS C C 13 178.433 0.3 . 1 . . . . 48 LYS C . 26526 1 104 . 1 1 48 48 LYS CA C 13 56.915 0.3 . 1 . . . . 48 LYS CA . 26526 1 105 . 1 1 48 48 LYS CB C 13 32.146 0.3 . 1 . . . . 48 LYS CB . 26526 1 106 . 1 1 48 48 LYS N N 15 123.130 0.3 . 1 . . . . 48 LYS N . 26526 1 107 . 1 1 49 49 GLY H H 1 8.606 0.020 . 1 . . . . 49 GLY H . 26526 1 108 . 1 1 49 49 GLY C C 13 172.718 0.3 . 1 . . . . 49 GLY C . 26526 1 109 . 1 1 49 49 GLY CA C 13 46.331 0.3 . 1 . . . . 49 GLY CA . 26526 1 110 . 1 1 49 49 GLY N N 15 111.315 0.3 . 1 . . . . 49 GLY N . 26526 1 111 . 1 1 50 50 ILE H H 1 6.805 0.020 . 1 . . . . 50 ILE H . 26526 1 112 . 1 1 50 50 ILE C C 13 174.793 0.3 . 1 . . . . 50 ILE C . 26526 1 113 . 1 1 50 50 ILE CA C 13 59.237 0.3 . 1 . . . . 50 ILE CA . 26526 1 114 . 1 1 50 50 ILE CB C 13 41.611 0.3 . 1 . . . . 50 ILE CB . 26526 1 115 . 1 1 50 50 ILE N N 15 111.070 0.3 . 1 . . . . 50 ILE N . 26526 1 116 . 1 1 51 51 SER H H 1 7.939 0.020 . 1 . . . . 51 SER H . 26526 1 117 . 1 1 51 51 SER C C 13 172.297 0.3 . 1 . . . . 51 SER C . 26526 1 118 . 1 1 51 51 SER CA C 13 57.771 0.3 . 1 . . . . 51 SER CA . 26526 1 119 . 1 1 51 51 SER CB C 13 64.593 0.3 . 1 . . . . 51 SER CB . 26526 1 120 . 1 1 51 51 SER N N 15 115.477 0.3 . 1 . . . . 51 SER N . 26526 1 121 . 1 1 52 52 ALA H H 1 7.896 0.020 . 1 . . . . 52 ALA H . 26526 1 122 . 1 1 52 52 ALA C C 13 173.023 0.3 . 1 . . . . 52 ALA C . 26526 1 123 . 1 1 52 52 ALA CA C 13 53.410 0.3 . 1 . . . . 52 ALA CA . 26526 1 124 . 1 1 52 52 ALA CB C 13 21.920 0.3 . 1 . . . . 52 ALA CB . 26526 1 125 . 1 1 52 52 ALA N N 15 122.350 0.3 . 1 . . . . 52 ALA N . 26526 1 126 . 1 1 53 53 PHE H H 1 8.002 0.020 . 1 . . . . 53 PHE H . 26526 1 127 . 1 1 53 53 PHE C C 13 172.275 0.3 . 1 . . . . 53 PHE C . 26526 1 128 . 1 1 53 53 PHE CA C 13 55.715 0.3 . 1 . . . . 53 PHE CA . 26526 1 129 . 1 1 53 53 PHE CB C 13 42.616 0.3 . 1 . . . . 53 PHE CB . 26526 1 130 . 1 1 53 53 PHE N N 15 113.841 0.3 . 1 . . . . 53 PHE N . 26526 1 131 . 1 1 56 56 SER H H 1 8.787 0.020 . 1 . . . . 56 SER H . 26526 1 132 . 1 1 56 56 SER CA C 13 60.315 0.3 . 1 . . . . 56 SER CA . 26526 1 133 . 1 1 56 56 SER CB C 13 62.969 0.3 . 1 . . . . 56 SER CB . 26526 1 134 . 1 1 56 56 SER N N 15 118.707 0.3 . 1 . . . . 56 SER N . 26526 1 135 . 1 1 57 57 ASP H H 1 8.392 0.020 . 1 . . . . 57 ASP H . 26526 1 136 . 1 1 57 57 ASP C C 13 175.402 0.3 . 1 . . . . 57 ASP C . 26526 1 137 . 1 1 57 57 ASP CA C 13 54.009 0.3 . 1 . . . . 57 ASP CA . 26526 1 138 . 1 1 57 57 ASP CB C 13 40.993 0.3 . 1 . . . . 57 ASP CB . 26526 1 139 . 1 1 57 57 ASP N N 15 118.656 0.3 . 1 . . . . 57 ASP N . 26526 1 140 . 1 1 58 58 ASN H H 1 7.472 0.020 . 1 . . . . 58 ASN H . 26526 1 141 . 1 1 58 58 ASN C C 13 173.725 0.3 . 1 . . . . 58 ASN C . 26526 1 142 . 1 1 58 58 ASN CA C 13 52.685 0.3 . 1 . . . . 58 ASN CA . 26526 1 143 . 1 1 58 58 ASN CB C 13 38.397 0.3 . 1 . . . . 58 ASN CB . 26526 1 144 . 1 1 58 58 ASN N N 15 117.288 0.3 . 1 . . . . 58 ASN N . 26526 1 145 . 1 1 59 59 LEU H H 1 8.394 0.020 . 1 . . . . 59 LEU H . 26526 1 146 . 1 1 59 59 LEU CA C 13 56.213 0.3 . 1 . . . . 59 LEU CA . 26526 1 147 . 1 1 59 59 LEU CB C 13 41.463 0.3 . 1 . . . . 59 LEU CB . 26526 1 148 . 1 1 59 59 LEU N N 15 123.941 0.3 . 1 . . . . 59 LEU N . 26526 1 149 . 1 1 60 60 PHE H H 1 7.786 0.020 . 1 . . . . 60 PHE H . 26526 1 150 . 1 1 60 60 PHE C C 13 175.203 0.3 . 1 . . . . 60 PHE C . 26526 1 151 . 1 1 60 60 PHE CA C 13 58.014 0.3 . 1 . . . . 60 PHE CA . 26526 1 152 . 1 1 60 60 PHE CB C 13 37.813 0.3 . 1 . . . . 60 PHE CB . 26526 1 153 . 1 1 60 60 PHE N N 15 112.264 0.3 . 1 . . . . 60 PHE N . 26526 1 154 . 1 1 61 61 LYS H H 1 7.661 0.020 . 1 . . . . 61 LYS H . 26526 1 155 . 1 1 61 61 LYS CA C 13 56.660 0.3 . 1 . . . . 61 LYS CA . 26526 1 156 . 1 1 61 61 LYS CB C 13 35.356 0.3 . 1 . . . . 61 LYS CB . 26526 1 157 . 1 1 61 61 LYS N N 15 123.309 0.3 . 1 . . . . 61 LYS N . 26526 1 158 . 1 1 62 62 TRP H H 1 9.711 0.020 . 1 . . . . 62 TRP H . 26526 1 159 . 1 1 62 62 TRP C C 13 176.184 0.3 . 1 . . . . 62 TRP C . 26526 1 160 . 1 1 62 62 TRP CA C 13 54.262 0.3 . 1 . . . . 62 TRP CA . 26526 1 161 . 1 1 62 62 TRP CB C 13 32.602 0.3 . 1 . . . . 62 TRP CB . 26526 1 162 . 1 1 62 62 TRP N N 15 124.656 0.3 . 1 . . . . 62 TRP N . 26526 1 163 . 1 1 63 63 VAL H H 1 8.472 0.020 . 1 . . . . 63 VAL H . 26526 1 164 . 1 1 63 63 VAL C C 13 176.432 0.3 . 1 . . . . 63 VAL C . 26526 1 165 . 1 1 63 63 VAL CA C 13 61.299 0.3 . 1 . . . . 63 VAL CA . 26526 1 166 . 1 1 63 63 VAL CB C 13 33.831 0.3 . 1 . . . . 63 VAL CB . 26526 1 167 . 1 1 63 63 VAL N N 15 121.135 0.3 . 1 . . . . 63 VAL N . 26526 1 168 . 1 1 64 64 GLY H H 1 9.206 0.020 . 1 . . . . 64 GLY H . 26526 1 169 . 1 1 64 64 GLY CA C 13 43.734 0.3 . 1 . . . . 64 GLY CA . 26526 1 170 . 1 1 64 64 GLY N N 15 114.108 0.3 . 1 . . . . 64 GLY N . 26526 1 171 . 1 1 65 65 THR H H 1 8.902 0.020 . 1 . . . . 65 THR H . 26526 1 172 . 1 1 65 65 THR C C 13 173.772 0.3 . 1 . . . . 65 THR C . 26526 1 173 . 1 1 65 65 THR CA C 13 62.203 0.3 . 1 . . . . 65 THR CA . 26526 1 174 . 1 1 65 65 THR CB C 13 71.481 0.3 . 1 . . . . 65 THR CB . 26526 1 175 . 1 1 65 65 THR N N 15 116.419 0.3 . 1 . . . . 65 THR N . 26526 1 176 . 1 1 66 66 ILE H H 1 8.870 0.020 . 1 . . . . 66 ILE H . 26526 1 177 . 1 1 66 66 ILE C C 13 174.572 0.3 . 1 . . . . 66 ILE C . 26526 1 178 . 1 1 66 66 ILE CA C 13 59.129 0.3 . 1 . . . . 66 ILE CA . 26526 1 179 . 1 1 66 66 ILE CB C 13 41.577 0.3 . 1 . . . . 66 ILE CB . 26526 1 180 . 1 1 66 66 ILE N N 15 121.904 0.3 . 1 . . . . 66 ILE N . 26526 1 181 . 1 1 68 68 GLY H H 1 8.291 0.020 . 1 . . . . 68 GLY H . 26526 1 182 . 1 1 68 68 GLY C C 13 173.468 0.3 . 1 . . . . 68 GLY C . 26526 1 183 . 1 1 68 68 GLY CA C 13 45.372 0.3 . 1 . . . . 68 GLY CA . 26526 1 184 . 1 1 68 68 GLY N N 15 111.265 0.3 . 1 . . . . 68 GLY N . 26526 1 185 . 1 1 69 69 ALA H H 1 7.965 0.020 . 1 . . . . 69 ALA H . 26526 1 186 . 1 1 69 69 ALA CA C 13 52.304 0.3 . 1 . . . . 69 ALA CA . 26526 1 187 . 1 1 69 69 ALA CB C 13 19.191 0.3 . 1 . . . . 69 ALA CB . 26526 1 188 . 1 1 69 69 ALA N N 15 124.046 0.3 . 1 . . . . 69 ALA N . 26526 1 189 . 1 1 70 70 ALA H H 1 8.591 0.020 . 1 . . . . 70 ALA H . 26526 1 190 . 1 1 70 70 ALA C C 13 178.808 0.3 . 1 . . . . 70 ALA C . 26526 1 191 . 1 1 70 70 ALA CA C 13 53.442 0.3 . 1 . . . . 70 ALA CA . 26526 1 192 . 1 1 70 70 ALA CB C 13 18.027 0.3 . 1 . . . . 70 ALA CB . 26526 1 193 . 1 1 70 70 ALA N N 15 125.577 0.3 . 1 . . . . 70 ALA N . 26526 1 194 . 1 1 71 71 GLY H H 1 9.062 0.020 . 1 . . . . 71 GLY H . 26526 1 195 . 1 1 71 71 GLY C C 13 174.498 0.3 . 1 . . . . 71 GLY C . 26526 1 196 . 1 1 71 71 GLY CA C 13 45.411 0.3 . 1 . . . . 71 GLY CA . 26526 1 197 . 1 1 71 71 GLY N N 15 111.030 0.3 . 1 . . . . 71 GLY N . 26526 1 198 . 1 1 72 72 THR H H 1 7.524 0.020 . 1 . . . . 72 THR H . 26526 1 199 . 1 1 72 72 THR C C 13 177.566 0.3 . 1 . . . . 72 THR C . 26526 1 200 . 1 1 72 72 THR CA C 13 60.206 0.3 . 1 . . . . 72 THR CA . 26526 1 201 . 1 1 72 72 THR CB C 13 73.999 0.3 . 1 . . . . 72 THR CB . 26526 1 202 . 1 1 72 72 THR N N 15 109.124 0.3 . 1 . . . . 72 THR N . 26526 1 203 . 1 1 73 73 VAL H H 1 9.083 0.020 . 1 . . . . 73 VAL H . 26526 1 204 . 1 1 73 73 VAL C C 13 174.756 0.3 . 1 . . . . 73 VAL C . 26526 1 205 . 1 1 73 73 VAL CA C 13 64.832 0.3 . 1 . . . . 73 VAL CA . 26526 1 206 . 1 1 73 73 VAL CB C 13 31.581 0.3 . 1 . . . . 73 VAL CB . 26526 1 207 . 1 1 73 73 VAL N N 15 117.187 0.3 . 1 . . . . 73 VAL N . 26526 1 208 . 1 1 74 74 TYR H H 1 6.969 0.020 . 1 . . . . 74 TYR H . 26526 1 209 . 1 1 74 74 TYR C C 13 176.983 0.3 . 1 . . . . 74 TYR C . 26526 1 210 . 1 1 74 74 TYR CA C 13 58.397 0.3 . 1 . . . . 74 TYR CA . 26526 1 211 . 1 1 74 74 TYR CB C 13 39.029 0.3 . 1 . . . . 74 TYR CB . 26526 1 212 . 1 1 74 74 TYR N N 15 114.417 0.3 . 1 . . . . 74 TYR N . 26526 1 213 . 1 1 79 79 TYR H H 1 8.900 0.020 . 1 . . . . 79 TYR H . 26526 1 214 . 1 1 79 79 TYR C C 13 173.784 0.3 . 1 . . . . 79 TYR C . 26526 1 215 . 1 1 79 79 TYR CA C 13 58.153 0.3 . 1 . . . . 79 TYR CA . 26526 1 216 . 1 1 79 79 TYR CB C 13 42.957 0.3 . 1 . . . . 79 TYR CB . 26526 1 217 . 1 1 79 79 TYR N N 15 121.783 0.3 . 1 . . . . 79 TYR N . 26526 1 218 . 1 1 80 80 LYS H H 1 8.855 0.020 . 1 . . . . 80 LYS H . 26526 1 219 . 1 1 80 80 LYS C C 13 176.643 0.3 . 1 . . . . 80 LYS C . 26526 1 220 . 1 1 80 80 LYS CA C 13 54.450 0.3 . 1 . . . . 80 LYS CA . 26526 1 221 . 1 1 80 80 LYS CB C 13 33.572 0.3 . 1 . . . . 80 LYS CB . 26526 1 222 . 1 1 80 80 LYS N N 15 121.411 0.3 . 1 . . . . 80 LYS N . 26526 1 223 . 1 1 81 81 LEU H H 1 9.216 0.020 . 1 . . . . 81 LEU H . 26526 1 224 . 1 1 81 81 LEU C C 13 174.685 0.3 . 1 . . . . 81 LEU C . 26526 1 225 . 1 1 81 81 LEU CA C 13 54.481 0.3 . 1 . . . . 81 LEU CA . 26526 1 226 . 1 1 81 81 LEU CB C 13 45.814 0.3 . 1 . . . . 81 LEU CB . 26526 1 227 . 1 1 81 81 LEU N N 15 124.113 0.3 . 1 . . . . 81 LEU N . 26526 1 228 . 1 1 82 82 SER H H 1 9.106 0.020 . 1 . . . . 82 SER H . 26526 1 229 . 1 1 82 82 SER CA C 13 55.970 0.3 . 1 . . . . 82 SER CA . 26526 1 230 . 1 1 82 82 SER CB C 13 65.173 0.3 . 1 . . . . 82 SER CB . 26526 1 231 . 1 1 82 82 SER N N 15 115.355 0.3 . 1 . . . . 82 SER N . 26526 1 232 . 1 1 83 83 LEU H H 1 8.289 0.020 . 1 . . . . 83 LEU H . 26526 1 233 . 1 1 83 83 LEU CA C 13 55.097 0.3 . 1 . . . . 83 LEU CA . 26526 1 234 . 1 1 83 83 LEU CB C 13 43.381 0.3 . 1 . . . . 83 LEU CB . 26526 1 235 . 1 1 83 83 LEU N N 15 122.765 0.3 . 1 . . . . 83 LEU N . 26526 1 236 . 1 1 84 84 GLU H H 1 8.208 0.020 . 1 . . . . 84 GLU H . 26526 1 237 . 1 1 84 84 GLU C C 13 174.442 0.3 . 1 . . . . 84 GLU C . 26526 1 238 . 1 1 84 84 GLU CA C 13 54.368 0.3 . 1 . . . . 84 GLU CA . 26526 1 239 . 1 1 84 84 GLU CB C 13 32.097 0.3 . 1 . . . . 84 GLU CB . 26526 1 240 . 1 1 84 84 GLU N N 15 121.975 0.3 . 1 . . . . 84 GLU N . 26526 1 241 . 1 1 85 85 PHE H H 1 8.491 0.020 . 1 . . . . 85 PHE H . 26526 1 242 . 1 1 85 85 PHE CA C 13 55.770 0.3 . 1 . . . . 85 PHE CA . 26526 1 243 . 1 1 85 85 PHE CB C 13 39.029 0.3 . 1 . . . . 85 PHE CB . 26526 1 244 . 1 1 85 85 PHE N N 15 125.226 0.3 . 1 . . . . 85 PHE N . 26526 1 245 . 1 1 87 87 SER H H 1 8.585 0.020 . 1 . . . . 87 SER H . 26526 1 246 . 1 1 87 87 SER CA C 13 61.375 0.3 . 1 . . . . 87 SER CA . 26526 1 247 . 1 1 87 87 SER CB C 13 62.850 0.3 . 1 . . . . 87 SER CB . 26526 1 248 . 1 1 87 87 SER N N 15 114.989 0.3 . 1 . . . . 87 SER N . 26526 1 249 . 1 1 88 88 GLY H H 1 8.152 0.020 . 1 . . . . 88 GLY H . 26526 1 250 . 1 1 88 88 GLY C C 13 175.361 0.3 . 1 . . . . 88 GLY C . 26526 1 251 . 1 1 88 88 GLY CA C 13 45.104 0.3 . 1 . . . . 88 GLY CA . 26526 1 252 . 1 1 88 88 GLY N N 15 108.752 0.3 . 1 . . . . 88 GLY N . 26526 1 253 . 1 1 89 89 TYR H H 1 7.737 0.020 . 1 . . . . 89 TYR H . 26526 1 254 . 1 1 89 89 TYR C C 13 175.004 0.3 . 1 . . . . 89 TYR C . 26526 1 255 . 1 1 89 89 TYR CA C 13 57.986 0.3 . 1 . . . . 89 TYR CA . 26526 1 256 . 1 1 89 89 TYR CB C 13 38.846 0.3 . 1 . . . . 89 TYR CB . 26526 1 257 . 1 1 89 89 TYR N N 15 125.955 0.3 . 1 . . . . 89 TYR N . 26526 1 258 . 1 1 91 91 TYR H H 1 8.123 0.020 . 1 . . . . 91 TYR H . 26526 1 259 . 1 1 91 91 TYR C C 13 176.161 0.3 . 1 . . . . 91 TYR C . 26526 1 260 . 1 1 91 91 TYR CA C 13 61.375 0.3 . 1 . . . . 91 TYR CA . 26526 1 261 . 1 1 91 91 TYR CB C 13 36.522 0.3 . 1 . . . . 91 TYR CB . 26526 1 262 . 1 1 91 91 TYR N N 15 125.648 0.3 . 1 . . . . 91 TYR N . 26526 1 263 . 1 1 92 92 ASN H H 1 7.058 0.020 . 1 . . . . 92 ASN H . 26526 1 264 . 1 1 92 92 ASN C C 13 171.969 0.3 . 1 . . . . 92 ASN C . 26526 1 265 . 1 1 92 92 ASN CA C 13 51.370 0.3 . 1 . . . . 92 ASN CA . 26526 1 266 . 1 1 92 92 ASN CB C 13 41.501 0.3 . 1 . . . . 92 ASN CB . 26526 1 267 . 1 1 92 92 ASN N N 15 115.899 0.3 . 1 . . . . 92 ASN N . 26526 1 268 . 1 1 93 93 ALA H H 1 7.295 0.020 . 1 . . . . 93 ALA H . 26526 1 269 . 1 1 93 93 ALA C C 13 175.191 0.3 . 1 . . . . 93 ALA C . 26526 1 270 . 1 1 93 93 ALA CA C 13 49.640 0.3 . 1 . . . . 93 ALA CA . 26526 1 271 . 1 1 93 93 ALA CB C 13 17.875 0.3 . 1 . . . . 93 ALA CB . 26526 1 272 . 1 1 93 93 ALA N N 15 121.575 0.3 . 1 . . . . 93 ALA N . 26526 1 273 . 1 1 95 95 THR H H 1 8.191 0.020 . 1 . . . . 95 THR H . 26526 1 274 . 1 1 95 95 THR C C 13 174.418 0.3 . 1 . . . . 95 THR C . 26526 1 275 . 1 1 95 95 THR CA C 13 61.863 0.3 . 1 . . . . 95 THR CA . 26526 1 276 . 1 1 95 95 THR CB C 13 69.681 0.3 . 1 . . . . 95 THR CB . 26526 1 277 . 1 1 95 95 THR N N 15 116.396 0.3 . 1 . . . . 95 THR N . 26526 1 278 . 1 1 96 96 VAL H H 1 8.842 0.020 . 1 . . . . 96 VAL H . 26526 1 279 . 1 1 96 96 VAL C C 13 173.435 0.3 . 1 . . . . 96 VAL C . 26526 1 280 . 1 1 96 96 VAL CA C 13 60.355 0.3 . 1 . . . . 96 VAL CA . 26526 1 281 . 1 1 96 96 VAL CB C 13 32.834 0.3 . 1 . . . . 96 VAL CB . 26526 1 282 . 1 1 96 96 VAL N N 15 131.401 0.3 . 1 . . . . 96 VAL N . 26526 1 283 . 1 1 97 97 LYS H H 1 8.070 0.020 . 1 . . . . 97 LYS H . 26526 1 284 . 1 1 97 97 LYS C C 13 176.222 0.3 . 1 . . . . 97 LYS C . 26526 1 285 . 1 1 97 97 LYS CA C 13 54.590 0.3 . 1 . . . . 97 LYS CA . 26526 1 286 . 1 1 97 97 LYS CB C 13 36.301 0.3 . 1 . . . . 97 LYS CB . 26526 1 287 . 1 1 97 97 LYS N N 15 123.825 0.3 . 1 . . . . 97 LYS N . 26526 1 288 . 1 1 98 98 PHE H H 1 9.435 0.020 . 1 . . . . 98 PHE H . 26526 1 289 . 1 1 98 98 PHE C C 13 176.676 0.3 . 1 . . . . 98 PHE C . 26526 1 290 . 1 1 98 98 PHE CA C 13 60.683 0.3 . 1 . . . . 98 PHE CA . 26526 1 291 . 1 1 98 98 PHE CB C 13 38.806 0.3 . 1 . . . . 98 PHE CB . 26526 1 292 . 1 1 98 98 PHE N N 15 121.436 0.3 . 1 . . . . 98 PHE N . 26526 1 293 . 1 1 99 99 LEU H H 1 9.194 0.020 . 1 . . . . 99 LEU H . 26526 1 294 . 1 1 99 99 LEU C C 13 178.283 0.3 . 1 . . . . 99 LEU C . 26526 1 295 . 1 1 99 99 LEU CA C 13 55.574 0.3 . 1 . . . . 99 LEU CA . 26526 1 296 . 1 1 99 99 LEU CB C 13 42.420 0.3 . 1 . . . . 99 LEU CB . 26526 1 297 . 1 1 99 99 LEU N N 15 125.364 0.3 . 1 . . . . 99 LEU N . 26526 1 298 . 1 1 100 100 THR H H 1 7.544 0.020 . 1 . . . . 100 THR H . 26526 1 299 . 1 1 100 100 THR C C 13 171.875 0.3 . 1 . . . . 100 THR C . 26526 1 300 . 1 1 100 100 THR CA C 13 59.662 0.3 . 1 . . . . 100 THR CA . 26526 1 301 . 1 1 100 100 THR CB C 13 70.626 0.3 . 1 . . . . 100 THR CB . 26526 1 302 . 1 1 100 100 THR N N 15 118.713 0.3 . 1 . . . . 100 THR N . 26526 1 303 . 1 1 102 102 CYS H H 1 8.292 0.020 . 1 . . . . 102 CYS H . 26526 1 304 . 1 1 102 102 CYS C C 13 172.966 0.3 . 1 . . . . 102 CYS C . 26526 1 305 . 1 1 102 102 CYS CA C 13 57.865 0.3 . 1 . . . . 102 CYS CA . 26526 1 306 . 1 1 102 102 CYS CB C 13 28.483 0.3 . 1 . . . . 102 CYS CB . 26526 1 307 . 1 1 102 102 CYS N N 15 126.308 0.3 . 1 . . . . 102 CYS N . 26526 1 308 . 1 1 103 103 TYR H H 1 7.931 0.020 . 1 . . . . 103 TYR H . 26526 1 309 . 1 1 103 103 TYR CA C 13 58.352 0.3 . 1 . . . . 103 TYR CA . 26526 1 310 . 1 1 103 103 TYR CB C 13 37.628 0.3 . 1 . . . . 103 TYR CB . 26526 1 311 . 1 1 103 103 TYR N N 15 133.065 0.3 . 1 . . . . 103 TYR N . 26526 1 312 . 1 1 104 104 HIS H H 1 8.341 0.020 . 1 . . . . 104 HIS H . 26526 1 313 . 1 1 104 104 HIS C C 13 173.271 0.3 . 1 . . . . 104 HIS C . 26526 1 314 . 1 1 104 104 HIS CA C 13 56.243 0.3 . 1 . . . . 104 HIS CA . 26526 1 315 . 1 1 104 104 HIS CB C 13 34.826 0.3 . 1 . . . . 104 HIS CB . 26526 1 316 . 1 1 104 104 HIS N N 15 128.475 0.3 . 1 . . . . 104 HIS N . 26526 1 317 . 1 1 106 106 ASN H H 1 12.041 0.020 . 1 . . . . 106 ASN H . 26526 1 318 . 1 1 106 106 ASN C C 13 170.774 0.3 . 1 . . . . 106 ASN C . 26526 1 319 . 1 1 106 106 ASN CA C 13 54.438 0.3 . 1 . . . . 106 ASN CA . 26526 1 320 . 1 1 106 106 ASN CB C 13 41.463 0.3 . 1 . . . . 106 ASN CB . 26526 1 321 . 1 1 106 106 ASN N N 15 119.383 0.3 . 1 . . . . 106 ASN N . 26526 1 322 . 1 1 107 107 VAL H H 1 7.332 0.020 . 1 . . . . 107 VAL H . 26526 1 323 . 1 1 107 107 VAL C C 13 176.138 0.3 . 1 . . . . 107 VAL C . 26526 1 324 . 1 1 107 107 VAL CA C 13 60.832 0.3 . 1 . . . . 107 VAL CA . 26526 1 325 . 1 1 107 107 VAL CB C 13 34.829 0.3 . 1 . . . . 107 VAL CB . 26526 1 326 . 1 1 107 107 VAL N N 15 120.393 0.3 . 1 . . . . 107 VAL N . 26526 1 327 . 1 1 108 108 ASP H H 1 8.287 0.020 . 1 . . . . 108 ASP H . 26526 1 328 . 1 1 108 108 ASP C C 13 178.704 0.3 . 1 . . . . 108 ASP C . 26526 1 329 . 1 1 108 108 ASP CA C 13 52.452 0.3 . 1 . . . . 108 ASP CA . 26526 1 330 . 1 1 108 108 ASP CB C 13 42.091 0.3 . 1 . . . . 108 ASP CB . 26526 1 331 . 1 1 108 108 ASP N N 15 126.402 0.3 . 1 . . . . 108 ASP N . 26526 1 332 . 1 1 109 109 THR H H 1 7.680 0.020 . 1 . . . . 109 THR H . 26526 1 333 . 1 1 109 109 THR C C 13 175.753 0.3 . 1 . . . . 109 THR C . 26526 1 334 . 1 1 109 109 THR CA C 13 64.706 0.3 . 1 . . . . 109 THR CA . 26526 1 335 . 1 1 109 109 THR CB C 13 68.713 0.3 . 1 . . . . 109 THR CB . 26526 1 336 . 1 1 109 109 THR N N 15 108.764 0.3 . 1 . . . . 109 THR N . 26526 1 337 . 1 1 110 110 GLN H H 1 7.904 0.020 . 1 . . . . 110 GLN H . 26526 1 338 . 1 1 110 110 GLN C C 13 175.682 0.3 . 1 . . . . 110 GLN C . 26526 1 339 . 1 1 110 110 GLN CA C 13 55.605 0.3 . 1 . . . . 110 GLN CA . 26526 1 340 . 1 1 110 110 GLN CB C 13 29.232 0.3 . 1 . . . . 110 GLN CB . 26526 1 341 . 1 1 110 110 GLN N N 15 119.849 0.3 . 1 . . . . 110 GLN N . 26526 1 342 . 1 1 111 111 GLY H H 1 7.774 0.020 . 1 . . . . 111 GLY H . 26526 1 343 . 1 1 111 111 GLY C C 13 174.686 0.3 . 1 . . . . 111 GLY C . 26526 1 344 . 1 1 111 111 GLY CA C 13 45.970 0.3 . 1 . . . . 111 GLY CA . 26526 1 345 . 1 1 111 111 GLY N N 15 108.188 0.3 . 1 . . . . 111 GLY N . 26526 1 346 . 1 1 112 112 ASN H H 1 8.637 0.020 . 1 . . . . 112 ASN H . 26526 1 347 . 1 1 112 112 ASN C C 13 173.561 0.3 . 1 . . . . 112 ASN C . 26526 1 348 . 1 1 112 112 ASN CA C 13 54.064 0.3 . 1 . . . . 112 ASN CA . 26526 1 349 . 1 1 112 112 ASN CB C 13 38.346 0.3 . 1 . . . . 112 ASN CB . 26526 1 350 . 1 1 112 112 ASN N N 15 119.636 0.3 . 1 . . . . 112 ASN N . 26526 1 351 . 1 1 113 113 ILE H H 1 8.498 0.020 . 1 . . . . 113 ILE H . 26526 1 352 . 1 1 113 113 ILE C C 13 176.208 0.3 . 1 . . . . 113 ILE C . 26526 1 353 . 1 1 113 113 ILE CA C 13 60.002 0.3 . 1 . . . . 113 ILE CA . 26526 1 354 . 1 1 113 113 ILE CB C 13 41.509 0.3 . 1 . . . . 113 ILE CB . 26526 1 355 . 1 1 113 113 ILE N N 15 118.198 0.3 . 1 . . . . 113 ILE N . 26526 1 356 . 1 1 114 114 SER H H 1 8.418 0.020 . 1 . . . . 114 SER H . 26526 1 357 . 1 1 114 114 SER C C 13 172.390 0.3 . 1 . . . . 114 SER C . 26526 1 358 . 1 1 114 114 SER CA C 13 56.398 0.3 . 1 . . . . 114 SER CA . 26526 1 359 . 1 1 114 114 SER CB C 13 62.667 0.3 . 1 . . . . 114 SER CB . 26526 1 360 . 1 1 114 114 SER N N 15 122.445 0.3 . 1 . . . . 114 SER N . 26526 1 361 . 1 1 115 115 LEU H H 1 7.262 0.020 . 1 . . . . 115 LEU H . 26526 1 362 . 1 1 115 115 LEU C C 13 176.255 0.3 . 1 . . . . 115 LEU C . 26526 1 363 . 1 1 115 115 LEU CA C 13 54.064 0.3 . 1 . . . . 115 LEU CA . 26526 1 364 . 1 1 115 115 LEU CB C 13 44.044 0.3 . 1 . . . . 115 LEU CB . 26526 1 365 . 1 1 115 115 LEU N N 15 127.151 0.3 . 1 . . . . 115 LEU N . 26526 1 366 . 1 1 116 116 ASP H H 1 9.049 0.020 . 1 . . . . 116 ASP H . 26526 1 367 . 1 1 116 116 ASP C C 13 180.072 0.3 . 1 . . . . 116 ASP C . 26526 1 368 . 1 1 116 116 ASP CA C 13 58.258 0.3 . 1 . . . . 116 ASP CA . 26526 1 369 . 1 1 116 116 ASP CB C 13 38.882 0.3 . 1 . . . . 116 ASP CB . 26526 1 370 . 1 1 116 116 ASP N N 15 131.365 0.3 . 1 . . . . 116 ASP N . 26526 1 371 . 1 1 117 117 ILE H H 1 8.053 0.020 . 1 . . . . 117 ILE H . 26526 1 372 . 1 1 117 117 ILE C C 13 173.317 0.3 . 1 . . . . 117 ILE C . 26526 1 373 . 1 1 117 117 ILE CA C 13 64.379 0.3 . 1 . . . . 117 ILE CA . 26526 1 374 . 1 1 117 117 ILE N N 15 117.711 0.3 . 1 . . . . 117 ILE N . 26526 1 375 . 1 1 118 118 LEU H H 1 7.085 0.020 . 1 . . . . 118 LEU H . 26526 1 376 . 1 1 118 118 LEU C C 13 176.887 0.3 . 1 . . . . 118 LEU C . 26526 1 377 . 1 1 118 118 LEU CA C 13 54.443 0.3 . 1 . . . . 118 LEU CA . 26526 1 378 . 1 1 118 118 LEU CB C 13 41.337 0.3 . 1 . . . . 118 LEU CB . 26526 1 379 . 1 1 118 118 LEU N N 15 113.732 0.3 . 1 . . . . 118 LEU N . 26526 1 380 . 1 1 119 119 LYS H H 1 7.624 0.020 . 1 . . . . 119 LYS H . 26526 1 381 . 1 1 119 119 LYS C C 13 176.713 0.3 . 1 . . . . 119 LYS C . 26526 1 382 . 1 1 119 119 LYS CA C 13 56.255 0.3 . 1 . . . . 119 LYS CA . 26526 1 383 . 1 1 119 119 LYS CB C 13 32.200 0.3 . 1 . . . . 119 LYS CB . 26526 1 384 . 1 1 119 119 LYS N N 15 122.346 0.3 . 1 . . . . 119 LYS N . 26526 1 385 . 1 1 120 120 GLU H H 1 9.382 0.020 . 1 . . . . 120 GLU H . 26526 1 386 . 1 1 120 120 GLU CA C 13 59.864 0.3 . 1 . . . . 120 GLU CA . 26526 1 387 . 1 1 120 120 GLU CB C 13 28.685 0.3 . 1 . . . . 120 GLU CB . 26526 1 388 . 1 1 120 120 GLU N N 15 124.551 0.3 . 1 . . . . 120 GLU N . 26526 1 389 . 1 1 121 121 LYS H H 1 7.771 0.020 . 1 . . . . 121 LYS H . 26526 1 390 . 1 1 121 121 LYS C C 13 175.338 0.3 . 1 . . . . 121 LYS C . 26526 1 391 . 1 1 121 121 LYS CA C 13 54.766 0.3 . 1 . . . . 121 LYS CA . 26526 1 392 . 1 1 121 121 LYS CB C 13 31.347 0.3 . 1 . . . . 121 LYS CB . 26526 1 393 . 1 1 121 121 LYS N N 15 115.860 0.3 . 1 . . . . 121 LYS N . 26526 1 394 . 1 1 122 122 TRP H H 1 7.185 0.020 . 1 . . . . 122 TRP H . 26526 1 395 . 1 1 122 122 TRP C C 13 175.823 0.3 . 1 . . . . 122 TRP C . 26526 1 396 . 1 1 122 122 TRP CA C 13 59.736 0.3 . 1 . . . . 122 TRP CA . 26526 1 397 . 1 1 122 122 TRP CB C 13 29.989 0.3 . 1 . . . . 122 TRP CB . 26526 1 398 . 1 1 122 122 TRP N N 15 121.993 0.3 . 1 . . . . 122 TRP N . 26526 1 399 . 1 1 124 124 ALA H H 1 7.941 0.020 . 1 . . . . 124 ALA H . 26526 1 400 . 1 1 124 124 ALA C C 13 176.690 0.3 . 1 . . . . 124 ALA C . 26526 1 401 . 1 1 124 124 ALA CA C 13 53.277 0.3 . 1 . . . . 124 ALA CA . 26526 1 402 . 1 1 124 124 ALA CB C 13 18.197 0.3 . 1 . . . . 124 ALA CB . 26526 1 403 . 1 1 124 124 ALA N N 15 125.479 0.3 . 1 . . . . 124 ALA N . 26526 1 404 . 1 1 125 125 LEU H H 1 6.988 0.020 . 1 . . . . 125 LEU H . 26526 1 405 . 1 1 125 125 LEU C C 13 178.329 0.3 . 1 . . . . 125 LEU C . 26526 1 406 . 1 1 125 125 LEU CA C 13 55.770 0.3 . 1 . . . . 125 LEU CA . 26526 1 407 . 1 1 125 125 LEU CB C 13 41.353 0.3 . 1 . . . . 125 LEU CB . 26526 1 408 . 1 1 125 125 LEU N N 15 116.326 0.3 . 1 . . . . 125 LEU N . 26526 1 409 . 1 1 126 126 TYR H H 1 6.899 0.020 . 1 . . . . 126 TYR H . 26526 1 410 . 1 1 126 126 TYR C C 13 172.999 0.3 . 1 . . . . 126 TYR C . 26526 1 411 . 1 1 126 126 TYR CA C 13 56.145 0.3 . 1 . . . . 126 TYR CA . 26526 1 412 . 1 1 126 126 TYR CB C 13 36.966 0.3 . 1 . . . . 126 TYR CB . 26526 1 413 . 1 1 126 126 TYR N N 15 120.348 0.3 . 1 . . . . 126 TYR N . 26526 1 414 . 1 1 127 127 ASP H H 1 7.217 0.020 . 1 . . . . 127 ASP H . 26526 1 415 . 1 1 127 127 ASP C C 13 176.653 0.3 . 1 . . . . 127 ASP C . 26526 1 416 . 1 1 127 127 ASP CA C 13 51.115 0.3 . 1 . . . . 127 ASP CA . 26526 1 417 . 1 1 127 127 ASP CB C 13 43.187 0.3 . 1 . . . . 127 ASP CB . 26526 1 418 . 1 1 127 127 ASP N N 15 115.917 0.3 . 1 . . . . 127 ASP N . 26526 1 419 . 1 1 128 128 VAL H H 1 8.739 0.020 . 1 . . . . 128 VAL H . 26526 1 420 . 1 1 128 128 VAL C C 13 177.543 0.3 . 1 . . . . 128 VAL C . 26526 1 421 . 1 1 128 128 VAL CA C 13 67.563 0.3 . 1 . . . . 128 VAL CA . 26526 1 422 . 1 1 128 128 VAL CB C 13 31.111 0.3 . 1 . . . . 128 VAL CB . 26526 1 423 . 1 1 128 128 VAL N N 15 120.353 0.3 . 1 . . . . 128 VAL N . 26526 1 424 . 1 1 129 129 ARG H H 1 8.196 0.020 . 1 . . . . 129 ARG H . 26526 1 425 . 1 1 129 129 ARG C C 13 176.559 0.3 . 1 . . . . 129 ARG C . 26526 1 426 . 1 1 129 129 ARG CA C 13 60.814 0.3 . 1 . . . . 129 ARG CA . 26526 1 427 . 1 1 129 129 ARG CB C 13 29.046 0.3 . 1 . . . . 129 ARG CB . 26526 1 428 . 1 1 129 129 ARG N N 15 119.399 0.3 . 1 . . . . 129 ARG N . 26526 1 429 . 1 1 130 130 THR H H 1 8.136 0.020 . 1 . . . . 130 THR H . 26526 1 430 . 1 1 130 130 THR CA C 13 67.340 0.3 . 1 . . . . 130 THR CA . 26526 1 431 . 1 1 130 130 THR CB C 13 68.824 0.3 . 1 . . . . 130 THR CB . 26526 1 432 . 1 1 130 130 THR N N 15 115.616 0.3 . 1 . . . . 130 THR N . 26526 1 433 . 1 1 131 131 ILE H H 1 8.110 0.020 . 1 . . . . 131 ILE H . 26526 1 434 . 1 1 131 131 ILE C C 13 177.238 0.3 . 1 . . . . 131 ILE C . 26526 1 435 . 1 1 131 131 ILE CA C 13 66.169 0.3 . 1 . . . . 131 ILE CA . 26526 1 436 . 1 1 131 131 ILE CB C 13 37.589 0.3 . 1 . . . . 131 ILE CB . 26526 1 437 . 1 1 131 131 ILE N N 15 124.131 0.3 . 1 . . . . 131 ILE N . 26526 1 438 . 1 1 132 132 LEU H H 1 8.472 0.020 . 1 . . . . 132 LEU H . 26526 1 439 . 1 1 132 132 LEU C C 13 179.243 0.3 . 1 . . . . 132 LEU C . 26526 1 440 . 1 1 132 132 LEU CA C 13 58.946 0.3 . 1 . . . . 132 LEU CA . 26526 1 441 . 1 1 132 132 LEU CB C 13 41.067 0.3 . 1 . . . . 132 LEU CB . 26526 1 442 . 1 1 132 132 LEU N N 15 118.479 0.3 . 1 . . . . 132 LEU N . 26526 1 443 . 1 1 133 133 LEU H H 1 8.576 0.020 . 1 . . . . 133 LEU H . 26526 1 444 . 1 1 133 133 LEU C C 13 180.414 0.3 . 1 . . . . 133 LEU C . 26526 1 445 . 1 1 133 133 LEU CA C 13 58.545 0.3 . 1 . . . . 133 LEU CA . 26526 1 446 . 1 1 133 133 LEU N N 15 119.243 0.3 . 1 . . . . 133 LEU N . 26526 1 447 . 1 1 134 134 SER H H 1 7.930 0.020 . 1 . . . . 134 SER H . 26526 1 448 . 1 1 134 134 SER CA C 13 62.739 0.3 . 1 . . . . 134 SER CA . 26526 1 449 . 1 1 134 134 SER N N 15 116.929 0.3 . 1 . . . . 134 SER N . 26526 1 450 . 1 1 135 135 ILE H H 1 7.937 0.020 . 1 . . . . 135 ILE H . 26526 1 451 . 1 1 135 135 ILE C C 13 176.278 0.3 . 1 . . . . 135 ILE C . 26526 1 452 . 1 1 135 135 ILE CA C 13 65.485 0.3 . 1 . . . . 135 ILE CA . 26526 1 453 . 1 1 135 135 ILE CB C 13 37.084 0.3 . 1 . . . . 135 ILE CB . 26526 1 454 . 1 1 135 135 ILE N N 15 124.489 0.3 . 1 . . . . 135 ILE N . 26526 1 455 . 1 1 136 136 GLN H H 1 8.312 0.020 . 1 . . . . 136 GLN H . 26526 1 456 . 1 1 136 136 GLN CA C 13 60.138 0.3 . 1 . . . . 136 GLN CA . 26526 1 457 . 1 1 136 136 GLN CB C 13 29.193 0.3 . 1 . . . . 136 GLN CB . 26526 1 458 . 1 1 136 136 GLN N N 15 119.909 0.3 . 1 . . . . 136 GLN N . 26526 1 459 . 1 1 137 137 SER H H 1 8.379 0.020 . 1 . . . . 137 SER H . 26526 1 460 . 1 1 137 137 SER CA C 13 61.841 0.3 . 1 . . . . 137 SER CA . 26526 1 461 . 1 1 137 137 SER CB C 13 62.730 0.3 . 1 . . . . 137 SER CB . 26526 1 462 . 1 1 137 137 SER N N 15 115.550 0.3 . 1 . . . . 137 SER N . 26526 1 463 . 1 1 138 138 LEU H H 1 7.460 0.020 . 1 . . . . 138 LEU H . 26526 1 464 . 1 1 138 138 LEU C C 13 178.854 0.3 . 1 . . . . 138 LEU C . 26526 1 465 . 1 1 138 138 LEU CA C 13 56.554 0.3 . 1 . . . . 138 LEU CA . 26526 1 466 . 1 1 138 138 LEU CB C 13 41.611 0.3 . 1 . . . . 138 LEU CB . 26526 1 467 . 1 1 138 138 LEU N N 15 124.276 0.3 . 1 . . . . 138 LEU N . 26526 1 468 . 1 1 139 139 LEU H H 1 7.219 0.020 . 1 . . . . 139 LEU H . 26526 1 469 . 1 1 139 139 LEU C C 13 175.974 0.3 . 1 . . . . 139 LEU C . 26526 1 470 . 1 1 139 139 LEU CA C 13 57.505 0.3 . 1 . . . . 139 LEU CA . 26526 1 471 . 1 1 139 139 LEU CB C 13 39.878 0.3 . 1 . . . . 139 LEU CB . 26526 1 472 . 1 1 139 139 LEU N N 15 116.899 0.3 . 1 . . . . 139 LEU N . 26526 1 473 . 1 1 140 140 GLY H H 1 6.728 0.020 . 1 . . . . 140 GLY H . 26526 1 474 . 1 1 140 140 GLY CA C 13 45.298 0.3 . 1 . . . . 140 GLY CA . 26526 1 475 . 1 1 140 140 GLY N N 15 100.314 0.3 . 1 . . . . 140 GLY N . 26526 1 476 . 1 1 141 141 GLU H H 1 7.532 0.020 . 1 . . . . 141 GLU H . 26526 1 477 . 1 1 141 141 GLU C C 13 170.675 0.3 . 1 . . . . 141 GLU C . 26526 1 478 . 1 1 141 141 GLU CA C 13 53.671 0.3 . 1 . . . . 141 GLU CA . 26526 1 479 . 1 1 141 141 GLU CB C 13 30.291 0.3 . 1 . . . . 141 GLU CB . 26526 1 480 . 1 1 141 141 GLU N N 15 121.271 0.3 . 1 . . . . 141 GLU N . 26526 1 481 . 1 1 143 143 ASN H H 1 8.852 0.020 . 1 . . . . 143 ASN H . 26526 1 482 . 1 1 143 143 ASN CA C 13 51.431 0.3 . 1 . . . . 143 ASN CA . 26526 1 483 . 1 1 143 143 ASN CB C 13 38.108 0.3 . 1 . . . . 143 ASN CB . 26526 1 484 . 1 1 143 143 ASN N N 15 118.567 0.3 . 1 . . . . 143 ASN N . 26526 1 485 . 1 1 144 144 ILE H H 1 8.204 0.020 . 1 . . . . 144 ILE H . 26526 1 486 . 1 1 144 144 ILE C C 13 175.144 0.3 . 1 . . . . 144 ILE C . 26526 1 487 . 1 1 144 144 ILE CA C 13 61.666 0.3 . 1 . . . . 144 ILE CA . 26526 1 488 . 1 1 144 144 ILE CB C 13 36.583 0.3 . 1 . . . . 144 ILE CB . 26526 1 489 . 1 1 144 144 ILE N N 15 122.479 0.3 . 1 . . . . 144 ILE N . 26526 1 490 . 1 1 145 145 ASP H H 1 7.700 0.020 . 1 . . . . 145 ASP H . 26526 1 491 . 1 1 145 145 ASP C C 13 176.432 0.3 . 1 . . . . 145 ASP C . 26526 1 492 . 1 1 145 145 ASP CA C 13 55.715 0.3 . 1 . . . . 145 ASP CA . 26526 1 493 . 1 1 145 145 ASP CB C 13 41.102 0.3 . 1 . . . . 145 ASP CB . 26526 1 494 . 1 1 145 145 ASP N N 15 118.746 0.3 . 1 . . . . 145 ASP N . 26526 1 495 . 1 1 146 146 SER H H 1 6.940 0.020 . 1 . . . . 146 SER H . 26526 1 496 . 1 1 146 146 SER CA C 13 54.654 0.3 . 1 . . . . 146 SER CA . 26526 1 497 . 1 1 146 146 SER CB C 13 63.440 0.3 . 1 . . . . 146 SER CB . 26526 1 498 . 1 1 146 146 SER N N 15 112.887 0.3 . 1 . . . . 146 SER N . 26526 1 499 . 1 1 148 148 LEU H H 1 8.616 0.020 . 1 . . . . 148 LEU H . 26526 1 500 . 1 1 148 148 LEU C C 13 176.887 0.3 . 1 . . . . 148 LEU C . 26526 1 501 . 1 1 148 148 LEU CA C 13 55.131 0.3 . 1 . . . . 148 LEU CA . 26526 1 502 . 1 1 148 148 LEU CB C 13 42.091 0.3 . 1 . . . . 148 LEU CB . 26526 1 503 . 1 1 148 148 LEU N N 15 119.026 0.3 . 1 . . . . 148 LEU N . 26526 1 504 . 1 1 149 149 ASN H H 1 7.549 0.020 . 1 . . . . 149 ASN H . 26526 1 505 . 1 1 149 149 ASN C C 13 176.409 0.3 . 1 . . . . 149 ASN C . 26526 1 506 . 1 1 149 149 ASN CA C 13 51.745 0.3 . 1 . . . . 149 ASN CA . 26526 1 507 . 1 1 149 149 ASN CB C 13 38.346 0.3 . 1 . . . . 149 ASN CB . 26526 1 508 . 1 1 149 149 ASN N N 15 118.619 0.3 . 1 . . . . 149 ASN N . 26526 1 509 . 1 1 150 150 THR H H 1 8.747 0.020 . 1 . . . . 150 THR H . 26526 1 510 . 1 1 150 150 THR C C 13 176.278 0.3 . 1 . . . . 150 THR C . 26526 1 511 . 1 1 150 150 THR CA C 13 65.572 0.3 . 1 . . . . 150 THR CA . 26526 1 512 . 1 1 150 150 THR CB C 13 67.790 0.3 . 1 . . . . 150 THR CB . 26526 1 513 . 1 1 150 150 THR N N 15 117.893 0.3 . 1 . . . . 150 THR N . 26526 1 514 . 1 1 151 151 HIS H H 1 8.024 0.020 . 1 . . . . 151 HIS H . 26526 1 515 . 1 1 151 151 HIS C C 13 178.041 0.3 . 1 . . . . 151 HIS C . 26526 1 516 . 1 1 151 151 HIS CA C 13 60.168 0.3 . 1 . . . . 151 HIS CA . 26526 1 517 . 1 1 151 151 HIS CB C 13 30.078 0.3 . 1 . . . . 151 HIS CB . 26526 1 518 . 1 1 151 151 HIS N N 15 124.899 0.3 . 1 . . . . 151 HIS N . 26526 1 519 . 1 1 152 152 ALA H H 1 7.241 0.020 . 1 . . . . 152 ALA H . 26526 1 520 . 1 1 152 152 ALA C C 13 179.417 0.3 . 1 . . . . 152 ALA C . 26526 1 521 . 1 1 152 152 ALA CA C 13 53.802 0.3 . 1 . . . . 152 ALA CA . 26526 1 522 . 1 1 152 152 ALA CB C 13 17.428 0.3 . 1 . . . . 152 ALA CB . 26526 1 523 . 1 1 152 152 ALA N N 15 120.999 0.3 . 1 . . . . 152 ALA N . 26526 1 524 . 1 1 153 153 ALA H H 1 7.817 0.020 . 1 . . . . 153 ALA H . 26526 1 525 . 1 1 153 153 ALA C C 13 178.119 0.3 . 1 . . . . 153 ALA C . 26526 1 526 . 1 1 153 153 ALA CA C 13 55.407 0.3 . 1 . . . . 153 ALA CA . 26526 1 527 . 1 1 153 153 ALA CB C 13 18.278 0.3 . 1 . . . . 153 ALA CB . 26526 1 528 . 1 1 153 153 ALA N N 15 118.794 0.3 . 1 . . . . 153 ALA N . 26526 1 529 . 1 1 154 154 GLU H H 1 7.597 0.020 . 1 . . . . 154 GLU H . 26526 1 530 . 1 1 154 154 GLU C C 13 179.477 0.3 . 1 . . . . 154 GLU C . 26526 1 531 . 1 1 154 154 GLU CA C 13 58.536 0.3 . 1 . . . . 154 GLU CA . 26526 1 532 . 1 1 154 154 GLU CB C 13 29.299 0.3 . 1 . . . . 154 GLU CB . 26526 1 533 . 1 1 154 154 GLU N N 15 116.616 0.3 . 1 . . . . 154 GLU N . 26526 1 534 . 1 1 155 155 LEU H H 1 7.921 0.020 . 1 . . . . 155 LEU H . 26526 1 535 . 1 1 155 155 LEU C C 13 177.543 0.3 . 1 . . . . 155 LEU C . 26526 1 536 . 1 1 155 155 LEU CA C 13 56.377 0.3 . 1 . . . . 155 LEU CA . 26526 1 537 . 1 1 155 155 LEU CB C 13 41.873 0.3 . 1 . . . . 155 LEU CB . 26526 1 538 . 1 1 155 155 LEU N N 15 122.049 0.3 . 1 . . . . 155 LEU N . 26526 1 539 . 1 1 156 156 TRP H H 1 8.072 0.020 . 1 . . . . 156 TRP H . 26526 1 540 . 1 1 156 156 TRP C C 13 176.339 0.3 . 1 . . . . 156 TRP C . 26526 1 541 . 1 1 156 156 TRP CA C 13 59.525 0.3 . 1 . . . . 156 TRP CA . 26526 1 542 . 1 1 156 156 TRP CB C 13 29.147 0.3 . 1 . . . . 156 TRP CB . 26526 1 543 . 1 1 156 156 TRP N N 15 119.440 0.3 . 1 . . . . 156 TRP N . 26526 1 544 . 1 1 157 157 LYS H H 1 6.848 0.020 . 1 . . . . 157 LYS H . 26526 1 545 . 1 1 157 157 LYS C C 13 174.910 0.3 . 1 . . . . 157 LYS C . 26526 1 546 . 1 1 157 157 LYS CA C 13 57.504 0.3 . 1 . . . . 157 LYS CA . 26526 1 547 . 1 1 157 157 LYS CB C 13 32.136 0.3 . 1 . . . . 157 LYS CB . 26526 1 548 . 1 1 157 157 LYS N N 15 112.207 0.3 . 1 . . . . 157 LYS N . 26526 1 549 . 1 1 158 158 ASN H H 1 8.084 0.020 . 1 . . . . 158 ASN H . 26526 1 550 . 1 1 158 158 ASN CA C 13 55.112 0.3 . 1 . . . . 158 ASN CA . 26526 1 551 . 1 1 158 158 ASN CB C 13 38.698 0.3 . 1 . . . . 158 ASN CB . 26526 1 552 . 1 1 158 158 ASN N N 15 119.470 0.3 . 1 . . . . 158 ASN N . 26526 1 553 . 1 1 160 160 THR H H 1 7.965 0.020 . 1 . . . . 160 THR H . 26526 1 554 . 1 1 160 160 THR C C 13 176.532 0.3 . 1 . . . . 160 THR C . 26526 1 555 . 1 1 160 160 THR CA C 13 66.384 0.3 . 1 . . . . 160 THR CA . 26526 1 556 . 1 1 160 160 THR CB C 13 68.354 0.3 . 1 . . . . 160 THR CB . 26526 1 557 . 1 1 160 160 THR N N 15 113.595 0.3 . 1 . . . . 160 THR N . 26526 1 558 . 1 1 161 161 ALA H H 1 7.121 0.020 . 1 . . . . 161 ALA H . 26526 1 559 . 1 1 161 161 ALA C C 13 180.554 0.3 . 1 . . . . 161 ALA C . 26526 1 560 . 1 1 161 161 ALA CA C 13 54.392 0.3 . 1 . . . . 161 ALA CA . 26526 1 561 . 1 1 161 161 ALA CB C 13 18.935 0.3 . 1 . . . . 161 ALA CB . 26526 1 562 . 1 1 161 161 ALA N N 15 125.774 0.3 . 1 . . . . 161 ALA N . 26526 1 563 . 1 1 162 162 PHE H H 1 9.026 0.020 . 1 . . . . 162 PHE H . 26526 1 564 . 1 1 162 162 PHE CA C 13 62.518 0.3 . 1 . . . . 162 PHE CA . 26526 1 565 . 1 1 162 162 PHE CB C 13 39.214 0.3 . 1 . . . . 162 PHE CB . 26526 1 566 . 1 1 162 162 PHE N N 15 122.323 0.3 . 1 . . . . 162 PHE N . 26526 1 567 . 1 1 163 163 LYS H H 1 8.310 0.020 . 1 . . . . 163 LYS H . 26526 1 568 . 1 1 163 163 LYS CA C 13 60.206 0.3 . 1 . . . . 163 LYS CA . 26526 1 569 . 1 1 163 163 LYS CB C 13 32.903 0.3 . 1 . . . . 163 LYS CB . 26526 1 570 . 1 1 163 163 LYS N N 15 118.049 0.3 . 1 . . . . 163 LYS N . 26526 1 571 . 1 1 164 164 LYS H H 1 7.164 0.020 . 1 . . . . 164 LYS H . 26526 1 572 . 1 1 164 164 LYS C C 13 178.048 0.3 . 1 . . . . 164 LYS C . 26526 1 573 . 1 1 164 164 LYS CA C 13 59.569 0.3 . 1 . . . . 164 LYS CA . 26526 1 574 . 1 1 164 164 LYS CB C 13 32.504 0.3 . 1 . . . . 164 LYS CB . 26526 1 575 . 1 1 164 164 LYS N N 15 117.829 0.3 . 1 . . . . 164 LYS N . 26526 1 576 . 1 1 165 165 TYR H H 1 7.702 0.020 . 1 . . . . 165 TYR H . 26526 1 577 . 1 1 165 165 TYR C C 13 178.728 0.3 . 1 . . . . 165 TYR C . 26526 1 578 . 1 1 165 165 TYR CA C 13 61.339 0.3 . 1 . . . . 165 TYR CA . 26526 1 579 . 1 1 165 165 TYR CB C 13 39.036 0.3 . 1 . . . . 165 TYR CB . 26526 1 580 . 1 1 165 165 TYR N N 15 120.972 0.3 . 1 . . . . 165 TYR N . 26526 1 581 . 1 1 166 166 LEU H H 1 8.677 0.020 . 1 . . . . 166 LEU H . 26526 1 582 . 1 1 166 166 LEU CA C 13 57.822 0.3 . 1 . . . . 166 LEU CA . 26526 1 583 . 1 1 166 166 LEU CB C 13 42.321 0.3 . 1 . . . . 166 LEU CB . 26526 1 584 . 1 1 166 166 LEU N N 15 122.093 0.3 . 1 . . . . 166 LEU N . 26526 1 585 . 1 1 167 167 GLN H H 1 8.082 0.020 . 1 . . . . 167 GLN H . 26526 1 586 . 1 1 167 167 GLN CA C 13 59.218 0.3 . 1 . . . . 167 GLN CA . 26526 1 587 . 1 1 167 167 GLN CB C 13 27.571 0.3 . 1 . . . . 167 GLN CB . 26526 1 588 . 1 1 167 167 GLN N N 15 116.851 0.3 . 1 . . . . 167 GLN N . 26526 1 589 . 1 1 168 168 GLU H H 1 7.892 0.020 . 1 . . . . 168 GLU H . 26526 1 590 . 1 1 168 168 GLU CA C 13 58.954 0.3 . 1 . . . . 168 GLU CA . 26526 1 591 . 1 1 168 168 GLU CB C 13 29.221 0.3 . 1 . . . . 168 GLU CB . 26526 1 592 . 1 1 168 168 GLU N N 15 119.569 0.3 . 1 . . . . 168 GLU N . 26526 1 593 . 1 1 169 169 THR H H 1 7.716 0.020 . 1 . . . . 169 THR H . 26526 1 594 . 1 1 169 169 THR C C 13 175.646 0.3 . 1 . . . . 169 THR C . 26526 1 595 . 1 1 169 169 THR CA C 13 64.681 0.3 . 1 . . . . 169 THR CA . 26526 1 596 . 1 1 169 169 THR CB C 13 69.229 0.3 . 1 . . . . 169 THR CB . 26526 1 597 . 1 1 169 169 THR N N 15 112.122 0.3 . 1 . . . . 169 THR N . 26526 1 598 . 1 1 171 171 SER H H 1 7.841 0.020 . 1 . . . . 171 SER H . 26526 1 599 . 1 1 171 171 SER C C 13 177.192 0.3 . 1 . . . . 171 SER C . 26526 1 600 . 1 1 171 171 SER CA C 13 60.191 0.3 . 1 . . . . 171 SER CA . 26526 1 601 . 1 1 171 171 SER CB C 13 63.184 0.3 . 1 . . . . 171 SER CB . 26526 1 602 . 1 1 171 171 SER N N 15 115.637 0.3 . 1 . . . . 171 SER N . 26526 1 603 . 1 1 172 172 LYS H H 1 7.510 0.020 . 1 . . . . 172 LYS H . 26526 1 604 . 1 1 172 172 LYS C C 13 177.253 0.3 . 1 . . . . 172 LYS C . 26526 1 605 . 1 1 172 172 LYS CA C 13 57.277 0.3 . 1 . . . . 172 LYS CA . 26526 1 606 . 1 1 172 172 LYS CB C 13 32.650 0.3 . 1 . . . . 172 LYS CB . 26526 1 607 . 1 1 172 172 LYS N N 15 121.249 0.3 . 1 . . . . 172 LYS N . 26526 1 608 . 1 1 173 173 GLN H H 1 7.955 0.020 . 1 . . . . 173 GLN H . 26526 1 609 . 1 1 173 173 GLN C C 13 176.374 0.3 . 1 . . . . 173 GLN C . 26526 1 610 . 1 1 173 173 GLN CA C 13 56.562 0.3 . 1 . . . . 173 GLN CA . 26526 1 611 . 1 1 173 173 GLN CB C 13 29.111 0.3 . 1 . . . . 173 GLN CB . 26526 1 612 . 1 1 173 173 GLN N N 15 118.713 0.3 . 1 . . . . 173 GLN N . 26526 1 613 . 1 1 174 174 VAL H H 1 7.966 0.020 . 1 . . . . 174 VAL H . 26526 1 614 . 1 1 174 174 VAL C C 13 176.632 0.3 . 1 . . . . 174 VAL C . 26526 1 615 . 1 1 174 174 VAL CA C 13 63.067 0.3 . 1 . . . . 174 VAL CA . 26526 1 616 . 1 1 174 174 VAL CB C 13 32.209 0.3 . 1 . . . . 174 VAL CB . 26526 1 617 . 1 1 174 174 VAL N N 15 120.718 0.3 . 1 . . . . 174 VAL N . 26526 1 618 . 1 1 175 175 THR H H 1 7.878 0.020 . 1 . . . . 175 THR H . 26526 1 619 . 1 1 175 175 THR C C 13 174.840 0.3 . 1 . . . . 175 THR C . 26526 1 620 . 1 1 175 175 THR CA C 13 62.747 0.3 . 1 . . . . 175 THR CA . 26526 1 621 . 1 1 175 175 THR CB C 13 69.450 0.3 . 1 . . . . 175 THR CB . 26526 1 622 . 1 1 175 175 THR N N 15 116.993 0.3 . 1 . . . . 175 THR N . 26526 1 623 . 1 1 176 176 SER H H 1 8.069 0.020 . 1 . . . . 176 SER H . 26526 1 624 . 1 1 176 176 SER C C 13 174.149 0.3 . 1 . . . . 176 SER C . 26526 1 625 . 1 1 176 176 SER CA C 13 58.579 0.3 . 1 . . . . 176 SER CA . 26526 1 626 . 1 1 176 176 SER CB C 13 63.624 0.3 . 1 . . . . 176 SER CB . 26526 1 627 . 1 1 176 176 SER N N 15 117.610 0.3 . 1 . . . . 176 SER N . 26526 1 628 . 1 1 177 177 GLN H H 1 8.061 0.020 . 1 . . . . 177 GLN H . 26526 1 629 . 1 1 177 177 GLN C C 13 175.437 0.3 . 1 . . . . 177 GLN C . 26526 1 630 . 1 1 177 177 GLN CA C 13 55.517 0.3 . 1 . . . . 177 GLN CA . 26526 1 631 . 1 1 177 177 GLN CB C 13 29.232 0.3 . 1 . . . . 177 GLN CB . 26526 1 632 . 1 1 177 177 GLN N N 15 121.917 0.3 . 1 . . . . 177 GLN N . 26526 1 633 . 1 1 178 178 GLU H H 1 8.095 0.020 . 1 . . . . 178 GLU H . 26526 1 634 . 1 1 178 178 GLU C C 13 173.681 0.3 . 1 . . . . 178 GLU C . 26526 1 635 . 1 1 178 178 GLU CA C 13 54.490 0.3 . 1 . . . . 178 GLU CA . 26526 1 636 . 1 1 178 178 GLU CB C 13 29.711 0.3 . 1 . . . . 178 GLU CB . 26526 1 637 . 1 1 178 178 GLU N N 15 124.122 0.3 . 1 . . . . 178 GLU N . 26526 1 stop_ save_