data_26744 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26744 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the m1A22 tRNA methyltransferase TrmK from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-11 _Entry.Accession_date 2016-02-11 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _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 Clement Degut . . . . 26744 2 Pierre Barraud . . . . 26744 3 Valery Larue . . . . 26744 4 Carine Tisne . . . . 26744 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26744 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 660 26744 '15N chemical shifts' 222 26744 '1H chemical shifts' 222 26744 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 . . 2016-10-26 2016-02-11 update BMRB 'update entry citation' 26744 1 . . 2016-07-14 2016-02-11 original author 'original release' 26744 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26744 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27098549 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments of the m1A22 tRNA methyltransferase TrmK from Bacillus subtilis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _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 253 _Citation.Page_last 257 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Clement Degut . . . . 26744 1 2 Pierre Barraud . . . . 26744 1 3 Valery Larue . . . . 26744 1 4 Carine Tisne . . . . 26744 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26744 _Assembly.ID 1 _Assembly.Name TrmK _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 26000 _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 TrmK 1 $TrmK A . yes native no no . . . 26744 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'm1A22 tRNA methyltransferase' 26744 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TrmK _Entity.Sf_category entity _Entity.Sf_framecode TrmK _Entity.Entry_ID 26744 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TrmK _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 ; GSHMNELKLSKRLQTVAEYI PNGAVMADIGSDHAYLPSYA VLNHKASGAIAGEITDGPFL SAKRQVEKSGLNSHISVRQG DGLEVIKKGEADAITIAGMG GALIAHILEAGKDKLTGKER LILQPNIHAVHIREWLYKER YALIDEVILEEDGKSYEVLV AEAGDRDAAYDGISLSAGML VGPFLAKEKNAVFLKKWTQE LQHTQSIYEQISQAADTEQN KQKLKELADRMELLKEVIDH G ; _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 241 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'tRNA m1A22 methyltransferase' 26744 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 -2 GLY . 26744 1 2 -1 SER . 26744 1 3 0 HIS . 26744 1 4 1 MET . 26744 1 5 2 ASN . 26744 1 6 3 GLU . 26744 1 7 4 LEU . 26744 1 8 5 LYS . 26744 1 9 6 LEU . 26744 1 10 7 SER . 26744 1 11 8 LYS . 26744 1 12 9 ARG . 26744 1 13 10 LEU . 26744 1 14 11 GLN . 26744 1 15 12 THR . 26744 1 16 13 VAL . 26744 1 17 14 ALA . 26744 1 18 15 GLU . 26744 1 19 16 TYR . 26744 1 20 17 ILE . 26744 1 21 18 PRO . 26744 1 22 19 ASN . 26744 1 23 20 GLY . 26744 1 24 21 ALA . 26744 1 25 22 VAL . 26744 1 26 23 MET . 26744 1 27 24 ALA . 26744 1 28 25 ASP . 26744 1 29 26 ILE . 26744 1 30 27 GLY . 26744 1 31 28 SER . 26744 1 32 29 ASP . 26744 1 33 30 HIS . 26744 1 34 31 ALA . 26744 1 35 32 TYR . 26744 1 36 33 LEU . 26744 1 37 34 PRO . 26744 1 38 35 SER . 26744 1 39 36 TYR . 26744 1 40 37 ALA . 26744 1 41 38 VAL . 26744 1 42 39 LEU . 26744 1 43 40 ASN . 26744 1 44 41 HIS . 26744 1 45 42 LYS . 26744 1 46 43 ALA . 26744 1 47 44 SER . 26744 1 48 45 GLY . 26744 1 49 46 ALA . 26744 1 50 47 ILE . 26744 1 51 48 ALA . 26744 1 52 49 GLY . 26744 1 53 50 GLU . 26744 1 54 51 ILE . 26744 1 55 52 THR . 26744 1 56 53 ASP . 26744 1 57 54 GLY . 26744 1 58 55 PRO . 26744 1 59 56 PHE . 26744 1 60 57 LEU . 26744 1 61 58 SER . 26744 1 62 59 ALA . 26744 1 63 60 LYS . 26744 1 64 61 ARG . 26744 1 65 62 GLN . 26744 1 66 63 VAL . 26744 1 67 64 GLU . 26744 1 68 65 LYS . 26744 1 69 66 SER . 26744 1 70 67 GLY . 26744 1 71 68 LEU . 26744 1 72 69 ASN . 26744 1 73 70 SER . 26744 1 74 71 HIS . 26744 1 75 72 ILE . 26744 1 76 73 SER . 26744 1 77 74 VAL . 26744 1 78 75 ARG . 26744 1 79 76 GLN . 26744 1 80 77 GLY . 26744 1 81 78 ASP . 26744 1 82 79 GLY . 26744 1 83 80 LEU . 26744 1 84 81 GLU . 26744 1 85 82 VAL . 26744 1 86 83 ILE . 26744 1 87 84 LYS . 26744 1 88 85 LYS . 26744 1 89 86 GLY . 26744 1 90 87 GLU . 26744 1 91 88 ALA . 26744 1 92 89 ASP . 26744 1 93 90 ALA . 26744 1 94 91 ILE . 26744 1 95 92 THR . 26744 1 96 93 ILE . 26744 1 97 94 ALA . 26744 1 98 95 GLY . 26744 1 99 96 MET . 26744 1 100 97 GLY . 26744 1 101 98 GLY . 26744 1 102 99 ALA . 26744 1 103 100 LEU . 26744 1 104 101 ILE . 26744 1 105 102 ALA . 26744 1 106 103 HIS . 26744 1 107 104 ILE . 26744 1 108 105 LEU . 26744 1 109 106 GLU . 26744 1 110 107 ALA . 26744 1 111 108 GLY . 26744 1 112 109 LYS . 26744 1 113 110 ASP . 26744 1 114 111 LYS . 26744 1 115 112 LEU . 26744 1 116 113 THR . 26744 1 117 114 GLY . 26744 1 118 115 LYS . 26744 1 119 116 GLU . 26744 1 120 117 ARG . 26744 1 121 118 LEU . 26744 1 122 119 ILE . 26744 1 123 120 LEU . 26744 1 124 121 GLN . 26744 1 125 122 PRO . 26744 1 126 123 ASN . 26744 1 127 124 ILE . 26744 1 128 125 HIS . 26744 1 129 126 ALA . 26744 1 130 127 VAL . 26744 1 131 128 HIS . 26744 1 132 129 ILE . 26744 1 133 130 ARG . 26744 1 134 131 GLU . 26744 1 135 132 TRP . 26744 1 136 133 LEU . 26744 1 137 134 TYR . 26744 1 138 135 LYS . 26744 1 139 136 GLU . 26744 1 140 137 ARG . 26744 1 141 138 TYR . 26744 1 142 139 ALA . 26744 1 143 140 LEU . 26744 1 144 141 ILE . 26744 1 145 142 ASP . 26744 1 146 143 GLU . 26744 1 147 144 VAL . 26744 1 148 145 ILE . 26744 1 149 146 LEU . 26744 1 150 147 GLU . 26744 1 151 148 GLU . 26744 1 152 149 ASP . 26744 1 153 150 GLY . 26744 1 154 151 LYS . 26744 1 155 152 SER . 26744 1 156 153 TYR . 26744 1 157 154 GLU . 26744 1 158 155 VAL . 26744 1 159 156 LEU . 26744 1 160 157 VAL . 26744 1 161 158 ALA . 26744 1 162 159 GLU . 26744 1 163 160 ALA . 26744 1 164 161 GLY . 26744 1 165 162 ASP . 26744 1 166 163 ARG . 26744 1 167 164 ASP . 26744 1 168 165 ALA . 26744 1 169 166 ALA . 26744 1 170 167 TYR . 26744 1 171 168 ASP . 26744 1 172 169 GLY . 26744 1 173 170 ILE . 26744 1 174 171 SER . 26744 1 175 172 LEU . 26744 1 176 173 SER . 26744 1 177 174 ALA . 26744 1 178 175 GLY . 26744 1 179 176 MET . 26744 1 180 177 LEU . 26744 1 181 178 VAL . 26744 1 182 179 GLY . 26744 1 183 180 PRO . 26744 1 184 181 PHE . 26744 1 185 182 LEU . 26744 1 186 183 ALA . 26744 1 187 184 LYS . 26744 1 188 185 GLU . 26744 1 189 186 LYS . 26744 1 190 187 ASN . 26744 1 191 188 ALA . 26744 1 192 189 VAL . 26744 1 193 190 PHE . 26744 1 194 191 LEU . 26744 1 195 192 LYS . 26744 1 196 193 LYS . 26744 1 197 194 TRP . 26744 1 198 195 THR . 26744 1 199 196 GLN . 26744 1 200 197 GLU . 26744 1 201 198 LEU . 26744 1 202 199 GLN . 26744 1 203 200 HIS . 26744 1 204 201 THR . 26744 1 205 202 GLN . 26744 1 206 203 SER . 26744 1 207 204 ILE . 26744 1 208 205 TYR . 26744 1 209 206 GLU . 26744 1 210 207 GLN . 26744 1 211 208 ILE . 26744 1 212 209 SER . 26744 1 213 210 GLN . 26744 1 214 211 ALA . 26744 1 215 212 ALA . 26744 1 216 213 ASP . 26744 1 217 214 THR . 26744 1 218 215 GLU . 26744 1 219 216 GLN . 26744 1 220 217 ASN . 26744 1 221 218 LYS . 26744 1 222 219 GLN . 26744 1 223 220 LYS . 26744 1 224 221 LEU . 26744 1 225 222 LYS . 26744 1 226 223 GLU . 26744 1 227 224 LEU . 26744 1 228 225 ALA . 26744 1 229 226 ASP . 26744 1 230 227 ARG . 26744 1 231 228 MET . 26744 1 232 229 GLU . 26744 1 233 230 LEU . 26744 1 234 231 LEU . 26744 1 235 232 LYS . 26744 1 236 233 GLU . 26744 1 237 234 VAL . 26744 1 238 235 ILE . 26744 1 239 236 ASP . 26744 1 240 237 HIS . 26744 1 241 238 GLY . 26744 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 26744 1 . SER 2 2 26744 1 . HIS 3 3 26744 1 . MET 4 4 26744 1 . ASN 5 5 26744 1 . GLU 6 6 26744 1 . LEU 7 7 26744 1 . LYS 8 8 26744 1 . LEU 9 9 26744 1 . SER 10 10 26744 1 . LYS 11 11 26744 1 . ARG 12 12 26744 1 . LEU 13 13 26744 1 . GLN 14 14 26744 1 . THR 15 15 26744 1 . VAL 16 16 26744 1 . ALA 17 17 26744 1 . GLU 18 18 26744 1 . TYR 19 19 26744 1 . ILE 20 20 26744 1 . PRO 21 21 26744 1 . ASN 22 22 26744 1 . GLY 23 23 26744 1 . ALA 24 24 26744 1 . VAL 25 25 26744 1 . MET 26 26 26744 1 . ALA 27 27 26744 1 . ASP 28 28 26744 1 . ILE 29 29 26744 1 . GLY 30 30 26744 1 . SER 31 31 26744 1 . ASP 32 32 26744 1 . HIS 33 33 26744 1 . ALA 34 34 26744 1 . TYR 35 35 26744 1 . LEU 36 36 26744 1 . PRO 37 37 26744 1 . SER 38 38 26744 1 . TYR 39 39 26744 1 . ALA 40 40 26744 1 . VAL 41 41 26744 1 . LEU 42 42 26744 1 . ASN 43 43 26744 1 . HIS 44 44 26744 1 . LYS 45 45 26744 1 . ALA 46 46 26744 1 . SER 47 47 26744 1 . GLY 48 48 26744 1 . ALA 49 49 26744 1 . ILE 50 50 26744 1 . ALA 51 51 26744 1 . GLY 52 52 26744 1 . GLU 53 53 26744 1 . ILE 54 54 26744 1 . THR 55 55 26744 1 . ASP 56 56 26744 1 . GLY 57 57 26744 1 . PRO 58 58 26744 1 . PHE 59 59 26744 1 . LEU 60 60 26744 1 . SER 61 61 26744 1 . ALA 62 62 26744 1 . LYS 63 63 26744 1 . ARG 64 64 26744 1 . GLN 65 65 26744 1 . VAL 66 66 26744 1 . GLU 67 67 26744 1 . LYS 68 68 26744 1 . SER 69 69 26744 1 . GLY 70 70 26744 1 . LEU 71 71 26744 1 . ASN 72 72 26744 1 . SER 73 73 26744 1 . HIS 74 74 26744 1 . ILE 75 75 26744 1 . SER 76 76 26744 1 . VAL 77 77 26744 1 . ARG 78 78 26744 1 . GLN 79 79 26744 1 . GLY 80 80 26744 1 . ASP 81 81 26744 1 . GLY 82 82 26744 1 . LEU 83 83 26744 1 . GLU 84 84 26744 1 . VAL 85 85 26744 1 . ILE 86 86 26744 1 . LYS 87 87 26744 1 . LYS 88 88 26744 1 . GLY 89 89 26744 1 . GLU 90 90 26744 1 . ALA 91 91 26744 1 . ASP 92 92 26744 1 . ALA 93 93 26744 1 . ILE 94 94 26744 1 . THR 95 95 26744 1 . ILE 96 96 26744 1 . ALA 97 97 26744 1 . GLY 98 98 26744 1 . MET 99 99 26744 1 . GLY 100 100 26744 1 . GLY 101 101 26744 1 . ALA 102 102 26744 1 . LEU 103 103 26744 1 . ILE 104 104 26744 1 . ALA 105 105 26744 1 . HIS 106 106 26744 1 . ILE 107 107 26744 1 . LEU 108 108 26744 1 . GLU 109 109 26744 1 . ALA 110 110 26744 1 . GLY 111 111 26744 1 . LYS 112 112 26744 1 . ASP 113 113 26744 1 . LYS 114 114 26744 1 . LEU 115 115 26744 1 . THR 116 116 26744 1 . GLY 117 117 26744 1 . LYS 118 118 26744 1 . GLU 119 119 26744 1 . ARG 120 120 26744 1 . LEU 121 121 26744 1 . ILE 122 122 26744 1 . LEU 123 123 26744 1 . GLN 124 124 26744 1 . PRO 125 125 26744 1 . ASN 126 126 26744 1 . ILE 127 127 26744 1 . HIS 128 128 26744 1 . ALA 129 129 26744 1 . VAL 130 130 26744 1 . HIS 131 131 26744 1 . ILE 132 132 26744 1 . ARG 133 133 26744 1 . GLU 134 134 26744 1 . TRP 135 135 26744 1 . LEU 136 136 26744 1 . TYR 137 137 26744 1 . LYS 138 138 26744 1 . GLU 139 139 26744 1 . ARG 140 140 26744 1 . TYR 141 141 26744 1 . ALA 142 142 26744 1 . LEU 143 143 26744 1 . ILE 144 144 26744 1 . ASP 145 145 26744 1 . GLU 146 146 26744 1 . VAL 147 147 26744 1 . ILE 148 148 26744 1 . LEU 149 149 26744 1 . GLU 150 150 26744 1 . GLU 151 151 26744 1 . ASP 152 152 26744 1 . GLY 153 153 26744 1 . LYS 154 154 26744 1 . SER 155 155 26744 1 . TYR 156 156 26744 1 . GLU 157 157 26744 1 . VAL 158 158 26744 1 . LEU 159 159 26744 1 . VAL 160 160 26744 1 . ALA 161 161 26744 1 . GLU 162 162 26744 1 . ALA 163 163 26744 1 . GLY 164 164 26744 1 . ASP 165 165 26744 1 . ARG 166 166 26744 1 . ASP 167 167 26744 1 . ALA 168 168 26744 1 . ALA 169 169 26744 1 . TYR 170 170 26744 1 . ASP 171 171 26744 1 . GLY 172 172 26744 1 . ILE 173 173 26744 1 . SER 174 174 26744 1 . LEU 175 175 26744 1 . SER 176 176 26744 1 . ALA 177 177 26744 1 . GLY 178 178 26744 1 . MET 179 179 26744 1 . LEU 180 180 26744 1 . VAL 181 181 26744 1 . GLY 182 182 26744 1 . PRO 183 183 26744 1 . PHE 184 184 26744 1 . LEU 185 185 26744 1 . ALA 186 186 26744 1 . LYS 187 187 26744 1 . GLU 188 188 26744 1 . LYS 189 189 26744 1 . ASN 190 190 26744 1 . ALA 191 191 26744 1 . VAL 192 192 26744 1 . PHE 193 193 26744 1 . LEU 194 194 26744 1 . LYS 195 195 26744 1 . LYS 196 196 26744 1 . TRP 197 197 26744 1 . THR 198 198 26744 1 . GLN 199 199 26744 1 . GLU 200 200 26744 1 . LEU 201 201 26744 1 . GLN 202 202 26744 1 . HIS 203 203 26744 1 . THR 204 204 26744 1 . GLN 205 205 26744 1 . SER 206 206 26744 1 . ILE 207 207 26744 1 . TYR 208 208 26744 1 . GLU 209 209 26744 1 . GLN 210 210 26744 1 . ILE 211 211 26744 1 . SER 212 212 26744 1 . GLN 213 213 26744 1 . ALA 214 214 26744 1 . ALA 215 215 26744 1 . ASP 216 216 26744 1 . THR 217 217 26744 1 . GLU 218 218 26744 1 . GLN 219 219 26744 1 . ASN 220 220 26744 1 . LYS 221 221 26744 1 . GLN 222 222 26744 1 . LYS 223 223 26744 1 . LEU 224 224 26744 1 . LYS 225 225 26744 1 . GLU 226 226 26744 1 . LEU 227 227 26744 1 . ALA 228 228 26744 1 . ASP 229 229 26744 1 . ARG 230 230 26744 1 . MET 231 231 26744 1 . GLU 232 232 26744 1 . LEU 233 233 26744 1 . LEU 234 234 26744 1 . LYS 235 235 26744 1 . GLU 236 236 26744 1 . VAL 237 237 26744 1 . ILE 238 238 26744 1 . ASP 239 239 26744 1 . HIS 240 240 26744 1 . GLY 241 241 26744 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 26744 _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 $TrmK . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . YqfN . 26744 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 26744 _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 $TrmK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28 . . . 26744 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TrmK-2H _Sample.Sf_category sample _Sample.Sf_framecode TrmK-2H _Sample.Entry_ID 26744 _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 TrmK '[U-13C; U-15N; U-2H]' . . 1 $TrmK . . 800 . . uM . . . . 26744 1 stop_ save_ save_TrmK-DSS _Sample.Sf_category sample _Sample.Sf_framecode TrmK-DSS _Sample.Entry_ID 26744 _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 TrmK '[U-99% 13C; U-99% 15N]' . . 1 $TrmK . . 200 . . uM . . . . 26744 2 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 26744 2 stop_ save_ save_TrmK-15N _Sample.Sf_category sample _Sample.Sf_framecode TrmK-15N _Sample.Entry_ID 26744 _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 TrmK '[U-100% 15N]' . . 1 $TrmK . . 800 . . uM . . . . 26744 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 26744 _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 pH 8.0 . pH 26744 1 pressure 1 . atm 26744 1 temperature 288 . K 26744 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26744 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26744 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26744 1 processing 26744 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26744 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26744 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26744 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26744 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26744 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26744 3 'peak picking' 26744 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26744 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26744 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26744 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_GIF_950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode GIF_950 _NMR_spectrometer.Entry_ID 26744 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_Gif_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Gif_800 _NMR_spectrometer.Entry_ID 26744 _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_LCRB_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode LCRB_600 _NMR_spectrometer.Entry_ID 26744 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26744 _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 GIF_950 Bruker Avance . 950 . . . 26744 1 2 Gif_800 Bruker Avance . 800 . . . 26744 1 3 LCRB_600 Bruker Avance . 600 . . . 26744 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 26744 _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 $TrmK-2H isotropic . . 1 $sample_conditions_1 . . . 1 $GIF_950 . . . . . . . . . . . . . . . . 26744 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $TrmK-2H isotropic . . 1 $sample_conditions_1 . . . 2 $Gif_800 . . . . . . . . . . . . . . . . 26744 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $TrmK-2H isotropic . . 1 $sample_conditions_1 . . . 3 $LCRB_600 . . . . . . . . . . . . . . . . 26744 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $TrmK-DSS isotropic . . 1 $sample_conditions_1 . . . 3 $LCRB_600 . . . . . . . . . . . . . . . . 26744 1 5 '3D HNCA' no . . . . . . . . . . 1 $TrmK-2H isotropic . . 1 $sample_conditions_1 . . . 2 $Gif_800 . . . . . . . . . . . . . . . . 26744 1 6 '3D HNCACB' no . . . . . . . . . . 1 $TrmK-2H isotropic . . 1 $sample_conditions_1 . . . 2 $Gif_800 . . . . . . . . . . . . . . . . 26744 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 1 $TrmK-2H isotropic . . 1 $sample_conditions_1 . . . 3 $LCRB_600 . . . . . . . . . . . . . . . . 26744 1 8 '3D HNCO' no . . . . . . . . . . 1 $TrmK-2H isotropic . . 1 $sample_conditions_1 . . . 1 $GIF_950 . . . . . . . . . . . . . . . . 26744 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $TrmK-15N isotropic . . 1 $sample_conditions_1 . . . 1 $GIF_950 . . . . . . . . . . . . . . . . 26744 1 10 '3D HN(CACO)NH' no . . . . . . . . . . 1 $TrmK-2H isotropic . . 1 $sample_conditions_1 . . . 3 $LCRB_600 . . . . . . . . . . . . . . . . 26744 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $TrmK-15N isotropic . . 1 $sample_conditions_1 . . . 1 $GIF_950 . . . . . . . . . . . . . . . . 26744 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 26744 _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 . . . . . 26744 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26744 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26744 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 26744 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 26744 1 4 '2D 1H-15N HSQC' . . . 26744 1 5 '3D HNCA' . . . 26744 1 6 '3D HNCACB' . . . 26744 1 7 '3D HN(CO)CACB' . . . 26744 1 8 '3D HNCO' . . . 26744 1 9 '3D 1H-15N NOESY' . . . 26744 1 10 '3D HN(CACO)NH' . . . 26744 1 11 '2D 1H-15N HSQC' . . . 26744 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 $TOPSPIN . . 26744 1 2 $NMRPipe . . 26744 1 3 $SPARKY . . 26744 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 4 4 MET C C 13 175.969 0.1 . . . . . . 1 M C . 26744 1 2 . 1 1 4 4 MET CA C 13 55.489 0.1 . . . . . . 1 M CA . 26744 1 3 . 1 1 4 4 MET CB C 13 31.923 0.1 . . . . . . 1 M CB . 26744 1 4 . 1 1 5 5 ASN H H 1 8.505 0.01 . . . . . . 2 N H . 26744 1 5 . 1 1 5 5 ASN C C 13 174.932 0.1 . . . . . . 2 N C . 26744 1 6 . 1 1 5 5 ASN CA C 13 53.086 0.1 . . . . . . 2 N CA . 26744 1 7 . 1 1 5 5 ASN CB C 13 38.032 0.1 . . . . . . 2 N CB . 26744 1 8 . 1 1 5 5 ASN N N 15 119.945 0.05 . . . . . . 2 N N . 26744 1 9 . 1 1 6 6 GLU H H 1 8.297 0.01 . . . . . . 3 E H . 26744 1 10 . 1 1 6 6 GLU C C 13 175.750 0.1 . . . . . . 3 E C . 26744 1 11 . 1 1 6 6 GLU CA C 13 56.202 0.1 . . . . . . 3 E CA . 26744 1 12 . 1 1 6 6 GLU CB C 13 29.393 0.1 . . . . . . 3 E CB . 26744 1 13 . 1 1 6 6 GLU N N 15 121.041 0.05 . . . . . . 3 E N . 26744 1 14 . 1 1 7 7 LEU H H 1 8.044 0.01 . . . . . . 4 L H . 26744 1 15 . 1 1 7 7 LEU C C 13 175.962 0.1 . . . . . . 4 L C . 26744 1 16 . 1 1 7 7 LEU CA C 13 54.703 0.1 . . . . . . 4 L CA . 26744 1 17 . 1 1 7 7 LEU CB C 13 41.177 0.1 . . . . . . 4 L CB . 26744 1 18 . 1 1 7 7 LEU N N 15 123.691 0.05 . . . . . . 4 L N . 26744 1 19 . 1 1 8 8 LYS H H 1 7.980 0.01 . . . . . . 5 K H . 26744 1 20 . 1 1 8 8 LYS C C 13 175.063 0.1 . . . . . . 5 K C . 26744 1 21 . 1 1 8 8 LYS CA C 13 54.612 0.1 . . . . . . 5 K CA . 26744 1 22 . 1 1 8 8 LYS CB C 13 32.077 0.1 . . . . . . 5 K CB . 26744 1 23 . 1 1 8 8 LYS N N 15 125.747 0.05 . . . . . . 5 K N . 26744 1 24 . 1 1 9 9 LEU H H 1 8.166 0.01 . . . . . . 6 L H . 26744 1 25 . 1 1 9 9 LEU C C 13 177.282 0.1 . . . . . . 6 L C . 26744 1 26 . 1 1 9 9 LEU CA C 13 53.220 0.1 . . . . . . 6 L CA . 26744 1 27 . 1 1 9 9 LEU CB C 13 43.015 0.1 . . . . . . 6 L CB . 26744 1 28 . 1 1 9 9 LEU N N 15 124.553 0.05 . . . . . . 6 L N . 26744 1 29 . 1 1 10 10 SER H H 1 7.948 0.01 . . . . . . 7 S H . 26744 1 30 . 1 1 10 10 SER C C 13 174.280 0.1 . . . . . . 7 S C . 26744 1 31 . 1 1 10 10 SER CA C 13 57.095 0.1 . . . . . . 7 S CA . 26744 1 32 . 1 1 10 10 SER CB C 13 62.629 0.1 . . . . . . 7 S CB . 26744 1 33 . 1 1 10 10 SER N N 15 119.394 0.05 . . . . . . 7 S N . 26744 1 34 . 1 1 11 11 LYS H H 1 10.255 0.01 . . . . . . 8 K H . 26744 1 35 . 1 1 11 11 LYS C C 13 181.048 0.1 . . . . . . 8 K C . 26744 1 36 . 1 1 11 11 LYS CA C 13 59.078 0.1 . . . . . . 8 K CA . 26744 1 37 . 1 1 11 11 LYS CB C 13 30.582 0.1 . . . . . . 8 K CB . 26744 1 38 . 1 1 11 11 LYS N N 15 125.280 0.05 . . . . . . 8 K N . 26744 1 39 . 1 1 12 12 ARG H H 1 8.876 0.01 . . . . . . 9 R H . 26744 1 40 . 1 1 12 12 ARG C C 13 176.720 0.1 . . . . . . 9 R C . 26744 1 41 . 1 1 12 12 ARG CA C 13 58.984 0.1 . . . . . . 9 R CA . 26744 1 42 . 1 1 12 12 ARG CB C 13 29.105 0.1 . . . . . . 9 R CB . 26744 1 43 . 1 1 12 12 ARG N N 15 120.688 0.05 . . . . . . 9 R N . 26744 1 44 . 1 1 13 13 LEU H H 1 7.086 0.01 . . . . . . 10 L H . 26744 1 45 . 1 1 13 13 LEU C C 13 179.005 0.1 . . . . . . 10 L C . 26744 1 46 . 1 1 13 13 LEU CA C 13 56.499 0.1 . . . . . . 10 L CA . 26744 1 47 . 1 1 13 13 LEU CB C 13 40.288 0.1 . . . . . . 10 L CB . 26744 1 48 . 1 1 13 13 LEU N N 15 117.416 0.05 . . . . . . 10 L N . 26744 1 49 . 1 1 14 14 GLN H H 1 8.718 0.01 . . . . . . 11 Q H . 26744 1 50 . 1 1 14 14 GLN C C 13 178.738 0.1 . . . . . . 11 Q C . 26744 1 51 . 1 1 14 14 GLN CA C 13 58.983 0.1 . . . . . . 11 Q CA . 26744 1 52 . 1 1 14 14 GLN CB C 13 27.754 0.1 . . . . . . 11 Q CB . 26744 1 53 . 1 1 14 14 GLN N N 15 121.920 0.05 . . . . . . 11 Q N . 26744 1 54 . 1 1 15 15 THR H H 1 7.852 0.01 . . . . . . 12 T H . 26744 1 55 . 1 1 15 15 THR C C 13 175.720 0.1 . . . . . . 12 T C . 26744 1 56 . 1 1 15 15 THR CA C 13 66.631 0.1 . . . . . . 12 T CA . 26744 1 57 . 1 1 15 15 THR CB C 13 67.471 0.1 . . . . . . 12 T CB . 26744 1 58 . 1 1 15 15 THR N N 15 116.024 0.05 . . . . . . 12 T N . 26744 1 59 . 1 1 16 16 VAL H H 1 7.068 0.01 . . . . . . 13 V H . 26744 1 60 . 1 1 16 16 VAL C C 13 177.347 0.1 . . . . . . 13 V C . 26744 1 61 . 1 1 16 16 VAL CA C 13 66.246 0.1 . . . . . . 13 V CA . 26744 1 62 . 1 1 16 16 VAL CB C 13 30.453 0.1 . . . . . . 13 V CB . 26744 1 63 . 1 1 16 16 VAL N N 15 120.161 0.05 . . . . . . 13 V N . 26744 1 64 . 1 1 17 17 ALA H H 1 7.879 0.01 . . . . . . 14 A H . 26744 1 65 . 1 1 17 17 ALA C C 13 179.186 0.1 . . . . . . 14 A C . 26744 1 66 . 1 1 17 17 ALA CA C 13 53.437 0.1 . . . . . . 14 A CA . 26744 1 67 . 1 1 17 17 ALA CB C 13 16.881 0.1 . . . . . . 14 A CB . 26744 1 68 . 1 1 17 17 ALA N N 15 117.494 0.05 . . . . . . 14 A N . 26744 1 69 . 1 1 18 18 GLU H H 1 7.449 0.01 . . . . . . 15 E H . 26744 1 70 . 1 1 18 18 GLU C C 13 177.731 0.1 . . . . . . 15 E C . 26744 1 71 . 1 1 18 18 GLU CA C 13 57.507 0.1 . . . . . . 15 E CA . 26744 1 72 . 1 1 18 18 GLU CB C 13 28.310 0.1 . . . . . . 15 E CB . 26744 1 73 . 1 1 18 18 GLU N N 15 115.961 0.05 . . . . . . 15 E N . 26744 1 74 . 1 1 19 19 TYR H H 1 7.397 0.01 . . . . . . 16 Y H . 26744 1 75 . 1 1 19 19 TYR C C 13 175.345 0.1 . . . . . . 16 Y C . 26744 1 76 . 1 1 19 19 TYR CA C 13 58.481 0.1 . . . . . . 16 Y CA . 26744 1 77 . 1 1 19 19 TYR CB C 13 39.081 0.1 . . . . . . 16 Y CB . 26744 1 78 . 1 1 19 19 TYR N N 15 114.762 0.05 . . . . . . 16 Y N . 26744 1 79 . 1 1 20 20 ILE H H 1 7.349 0.01 . . . . . . 17 I H . 26744 1 80 . 1 1 20 20 ILE CA C 13 59.759 0.1 . . . . . . 17 I CA . 26744 1 81 . 1 1 20 20 ILE CB C 13 37.718 0.1 . . . . . . 17 I CB . 26744 1 82 . 1 1 20 20 ILE N N 15 123.728 0.05 . . . . . . 17 I N . 26744 1 83 . 1 1 21 21 PRO C C 13 175.750 0.1 . . . . . . 18 P C . 26744 1 84 . 1 1 21 21 PRO CA C 13 62.186 0.1 . . . . . . 18 P CA . 26744 1 85 . 1 1 21 21 PRO CB C 13 31.161 0.1 . . . . . . 18 P CB . 26744 1 86 . 1 1 22 22 ASN H H 1 8.493 0.01 . . . . . . 19 N H . 26744 1 87 . 1 1 22 22 ASN C C 13 177.723 0.1 . . . . . . 19 N C . 26744 1 88 . 1 1 22 22 ASN CA C 13 54.997 0.1 . . . . . . 19 N CA . 26744 1 89 . 1 1 22 22 ASN CB C 13 37.843 0.1 . . . . . . 19 N CB . 26744 1 90 . 1 1 22 22 ASN N N 15 121.026 0.05 . . . . . . 19 N N . 26744 1 91 . 1 1 23 23 GLY H H 1 8.760 0.01 . . . . . . 20 G H . 26744 1 92 . 1 1 23 23 GLY C C 13 174.880 0.1 . . . . . . 20 G C . 26744 1 93 . 1 1 23 23 GLY CA C 13 44.864 0.1 . . . . . . 20 G CA . 26744 1 94 . 1 1 23 23 GLY N N 15 114.034 0.05 . . . . . . 20 G N . 26744 1 95 . 1 1 24 24 ALA H H 1 8.077 0.01 . . . . . . 21 A H . 26744 1 96 . 1 1 24 24 ALA C C 13 178.450 0.1 . . . . . . 21 A C . 26744 1 97 . 1 1 24 24 ALA CA C 13 52.289 0.1 . . . . . . 21 A CA . 26744 1 98 . 1 1 24 24 ALA CB C 13 19.628 0.1 . . . . . . 21 A CB . 26744 1 99 . 1 1 24 24 ALA N N 15 124.592 0.05 . . . . . . 21 A N . 26744 1 100 . 1 1 25 25 VAL H H 1 9.315 0.01 . . . . . . 22 V H . 26744 1 101 . 1 1 25 25 VAL C C 13 176.770 0.1 . . . . . . 22 V C . 26744 1 102 . 1 1 25 25 VAL CA C 13 62.625 0.1 . . . . . . 22 V CA . 26744 1 103 . 1 1 25 25 VAL CB C 13 30.800 0.1 . . . . . . 22 V CB . 26744 1 104 . 1 1 25 25 VAL N N 15 121.769 0.05 . . . . . . 22 V N . 26744 1 105 . 1 1 26 26 MET H H 1 8.197 0.01 . . . . . . 23 M H . 26744 1 106 . 1 1 26 26 MET C C 13 173.301 0.1 . . . . . . 23 M C . 26744 1 107 . 1 1 26 26 MET CA C 13 51.758 0.1 . . . . . . 23 M CA . 26744 1 108 . 1 1 26 26 MET CB C 13 35.003 0.1 . . . . . . 23 M CB . 26744 1 109 . 1 1 26 26 MET N N 15 125.303 0.05 . . . . . . 23 M N . 26744 1 110 . 1 1 27 27 ALA H H 1 8.858 0.01 . . . . . . 24 A H . 26744 1 111 . 1 1 27 27 ALA C C 13 173.434 0.1 . . . . . . 24 A C . 26744 1 112 . 1 1 27 27 ALA CA C 13 49.659 0.1 . . . . . . 24 A CA . 26744 1 113 . 1 1 27 27 ALA CB C 13 20.625 0.1 . . . . . . 24 A CB . 26744 1 114 . 1 1 27 27 ALA N N 15 125.284 0.05 . . . . . . 24 A N . 26744 1 115 . 1 1 28 28 ASP H H 1 8.895 0.01 . . . . . . 25 D H . 26744 1 116 . 1 1 28 28 ASP C C 13 175.145 0.1 . . . . . . 25 D C . 26744 1 117 . 1 1 28 28 ASP CA C 13 51.820 0.1 . . . . . . 25 D CA . 26744 1 118 . 1 1 28 28 ASP CB C 13 42.641 0.1 . . . . . . 25 D CB . 26744 1 119 . 1 1 28 28 ASP N N 15 122.963 0.05 . . . . . . 25 D N . 26744 1 120 . 1 1 29 29 ILE H H 1 8.637 0.01 . . . . . . 26 I H . 26744 1 121 . 1 1 29 29 ILE C C 13 175.934 0.1 . . . . . . 26 I C . 26744 1 122 . 1 1 29 29 ILE CA C 13 58.097 0.1 . . . . . . 26 I CA . 26744 1 123 . 1 1 29 29 ILE CB C 13 34.366 0.1 . . . . . . 26 I CB . 26744 1 124 . 1 1 29 29 ILE N N 15 128.458 0.05 . . . . . . 26 I N . 26744 1 125 . 1 1 30 30 GLY H H 1 7.912 0.01 . . . . . . 27 G H . 26744 1 126 . 1 1 30 30 GLY CA C 13 46.522 0.1 . . . . . . 27 G CA . 26744 1 127 . 1 1 30 30 GLY N N 15 119.464 0.05 . . . . . . 27 G N . 26744 1 128 . 1 1 31 31 SER C C 13 177.767 0.1 . . . . . . 28 S C . 26744 1 129 . 1 1 31 31 SER CA C 13 57.875 0.1 . . . . . . 28 S CA . 26744 1 130 . 1 1 31 31 SER CB C 13 62.707 0.1 . . . . . . 28 S CB . 26744 1 131 . 1 1 32 32 ASP H H 1 9.067 0.01 . . . . . . 29 D H . 26744 1 132 . 1 1 32 32 ASP CA C 13 54.233 0.1 . . . . . . 29 D CA . 26744 1 133 . 1 1 32 32 ASP CB C 13 38.856 0.1 . . . . . . 29 D CB . 26744 1 134 . 1 1 32 32 ASP N N 15 131.253 0.05 . . . . . . 29 D N . 26744 1 135 . 1 1 34 34 ALA C C 13 178.529 0.1 . . . . . . 31 A C . 26744 1 136 . 1 1 34 34 ALA CA C 13 52.760 0.1 . . . . . . 31 A CA . 26744 1 137 . 1 1 34 34 ALA CB C 13 16.403 0.1 . . . . . . 31 A CB . 26744 1 138 . 1 1 35 35 TYR H H 1 8.280 0.01 . . . . . . 32 Y H . 26744 1 139 . 1 1 35 35 TYR C C 13 178.082 0.1 . . . . . . 32 Y C . 26744 1 140 . 1 1 35 35 TYR CA C 13 59.932 0.1 . . . . . . 32 Y CA . 26744 1 141 . 1 1 35 35 TYR CB C 13 35.709 0.1 . . . . . . 32 Y CB . 26744 1 142 . 1 1 35 35 TYR N N 15 123.780 0.05 . . . . . . 32 Y N . 26744 1 143 . 1 1 36 36 LEU H H 1 9.850 0.01 . . . . . . 33 L H . 26744 1 144 . 1 1 36 36 LEU CA C 13 59.583 0.1 . . . . . . 33 L CA . 26744 1 145 . 1 1 36 36 LEU CB C 13 37.455 0.1 . . . . . . 33 L CB . 26744 1 146 . 1 1 36 36 LEU N N 15 120.187 0.05 . . . . . . 33 L N . 26744 1 147 . 1 1 37 37 PRO C C 13 176.827 0.1 . . . . . . 34 P C . 26744 1 148 . 1 1 37 37 PRO CA C 13 65.453 0.1 . . . . . . 34 P CA . 26744 1 149 . 1 1 37 37 PRO CB C 13 30.120 0.1 . . . . . . 34 P CB . 26744 1 150 . 1 1 38 38 SER H H 1 7.576 0.01 . . . . . . 35 S H . 26744 1 151 . 1 1 38 38 SER C C 13 174.292 0.1 . . . . . . 35 S C . 26744 1 152 . 1 1 38 38 SER CA C 13 62.825 0.1 . . . . . . 35 S CA . 26744 1 153 . 1 1 38 38 SER CB C 13 61.906 0.1 . . . . . . 35 S CB . 26744 1 154 . 1 1 38 38 SER N N 15 113.484 0.05 . . . . . . 35 S N . 26744 1 155 . 1 1 39 39 TYR H H 1 8.726 0.01 . . . . . . 36 Y H . 26744 1 156 . 1 1 39 39 TYR C C 13 178.187 0.1 . . . . . . 36 Y C . 26744 1 157 . 1 1 39 39 TYR CA C 13 61.183 0.1 . . . . . . 36 Y CA . 26744 1 158 . 1 1 39 39 TYR CB C 13 38.410 0.1 . . . . . . 36 Y CB . 26744 1 159 . 1 1 39 39 TYR N N 15 123.292 0.05 . . . . . . 36 Y N . 26744 1 160 . 1 1 40 40 ALA H H 1 8.783 0.01 . . . . . . 37 A H . 26744 1 161 . 1 1 40 40 ALA C C 13 179.508 0.1 . . . . . . 37 A C . 26744 1 162 . 1 1 40 40 ALA CA C 13 54.681 0.1 . . . . . . 37 A CA . 26744 1 163 . 1 1 40 40 ALA CB C 13 18.031 0.1 . . . . . . 37 A CB . 26744 1 164 . 1 1 40 40 ALA N N 15 120.646 0.05 . . . . . . 37 A N . 26744 1 165 . 1 1 41 41 VAL H H 1 8.191 0.01 . . . . . . 38 V H . 26744 1 166 . 1 1 41 41 VAL CA C 13 64.849 0.1 . . . . . . 38 V CA . 26744 1 167 . 1 1 41 41 VAL N N 15 119.336 0.05 . . . . . . 38 V N . 26744 1 168 . 1 1 46 46 ALA H H 1 6.903 0.01 . . . . . . 43 A H . 26744 1 169 . 1 1 46 46 ALA C C 13 177.073 0.1 . . . . . . 43 A C . 26744 1 170 . 1 1 46 46 ALA CA C 13 49.143 0.1 . . . . . . 43 A CA . 26744 1 171 . 1 1 46 46 ALA CB C 13 20.922 0.1 . . . . . . 43 A CB . 26744 1 172 . 1 1 46 46 ALA N N 15 116.916 0.05 . . . . . . 43 A N . 26744 1 173 . 1 1 47 47 SER H H 1 8.576 0.01 . . . . . . 44 S H . 26744 1 174 . 1 1 47 47 SER C C 13 174.857 0.1 . . . . . . 44 S C . 26744 1 175 . 1 1 47 47 SER CA C 13 58.789 0.1 . . . . . . 44 S CA . 26744 1 176 . 1 1 47 47 SER CB C 13 63.163 0.1 . . . . . . 44 S CB . 26744 1 177 . 1 1 47 47 SER N N 15 116.597 0.05 . . . . . . 44 S N . 26744 1 178 . 1 1 48 48 GLY H H 1 7.525 0.01 . . . . . . 45 G H . 26744 1 179 . 1 1 48 48 GLY C C 13 171.388 0.1 . . . . . . 45 G C . 26744 1 180 . 1 1 48 48 GLY CA C 13 44.153 0.1 . . . . . . 45 G CA . 26744 1 181 . 1 1 48 48 GLY N N 15 107.368 0.05 . . . . . . 45 G N . 26744 1 182 . 1 1 49 49 ALA H H 1 8.832 0.01 . . . . . . 46 A H . 26744 1 183 . 1 1 49 49 ALA C C 13 175.244 0.1 . . . . . . 46 A C . 26744 1 184 . 1 1 49 49 ALA CA C 13 50.221 0.1 . . . . . . 46 A CA . 26744 1 185 . 1 1 49 49 ALA CB C 13 24.455 0.1 . . . . . . 46 A CB . 26744 1 186 . 1 1 49 49 ALA N N 15 119.337 0.05 . . . . . . 46 A N . 26744 1 187 . 1 1 50 50 ILE H H 1 8.991 0.01 . . . . . . 47 I H . 26744 1 188 . 1 1 50 50 ILE C C 13 173.938 0.1 . . . . . . 47 I C . 26744 1 189 . 1 1 50 50 ILE CA C 13 59.912 0.1 . . . . . . 47 I CA . 26744 1 190 . 1 1 50 50 ILE CB C 13 41.228 0.1 . . . . . . 47 I CB . 26744 1 191 . 1 1 50 50 ILE N N 15 124.245 0.05 . . . . . . 47 I N . 26744 1 192 . 1 1 51 51 ALA H H 1 9.131 0.01 . . . . . . 48 A H . 26744 1 193 . 1 1 51 51 ALA C C 13 174.934 0.1 . . . . . . 48 A C . 26744 1 194 . 1 1 51 51 ALA CA C 13 49.157 0.1 . . . . . . 48 A CA . 26744 1 195 . 1 1 51 51 ALA CB C 13 19.371 0.1 . . . . . . 48 A CB . 26744 1 196 . 1 1 51 51 ALA N N 15 130.629 0.05 . . . . . . 48 A N . 26744 1 197 . 1 1 52 52 GLY H H 1 9.085 0.01 . . . . . . 49 G H . 26744 1 198 . 1 1 52 52 GLY C C 13 173.987 0.1 . . . . . . 49 G C . 26744 1 199 . 1 1 52 52 GLY CA C 13 45.217 0.1 . . . . . . 49 G CA . 26744 1 200 . 1 1 52 52 GLY N N 15 111.028 0.05 . . . . . . 49 G N . 26744 1 201 . 1 1 53 53 GLU H H 1 8.914 0.01 . . . . . . 50 E H . 26744 1 202 . 1 1 53 53 GLU C C 13 175.551 0.1 . . . . . . 50 E C . 26744 1 203 . 1 1 53 53 GLU CA C 13 52.525 0.1 . . . . . . 50 E CA . 26744 1 204 . 1 1 53 53 GLU CB C 13 30.510 0.1 . . . . . . 50 E CB . 26744 1 205 . 1 1 53 53 GLU N N 15 123.365 0.05 . . . . . . 50 E N . 26744 1 206 . 1 1 54 54 ILE H H 1 9.100 0.01 . . . . . . 51 I H . 26744 1 207 . 1 1 54 54 ILE CA C 13 63.163 0.1 . . . . . . 51 I CA . 26744 1 208 . 1 1 54 54 ILE CB C 13 38.164 0.1 . . . . . . 51 I CB . 26744 1 209 . 1 1 54 54 ILE N N 15 121.582 0.05 . . . . . . 51 I N . 26744 1 210 . 1 1 55 55 THR H H 1 7.062 0.01 . . . . . . 52 T H . 26744 1 211 . 1 1 55 55 THR C C 13 175.155 0.1 . . . . . . 52 T C . 26744 1 212 . 1 1 55 55 THR CA C 13 59.778 0.1 . . . . . . 52 T CA . 26744 1 213 . 1 1 55 55 THR CB C 13 70.687 0.1 . . . . . . 52 T CB . 26744 1 214 . 1 1 55 55 THR N N 15 108.796 0.05 . . . . . . 52 T N . 26744 1 215 . 1 1 56 56 ASP H H 1 8.346 0.01 . . . . . . 53 D H . 26744 1 216 . 1 1 56 56 ASP C C 13 177.819 0.1 . . . . . . 53 D C . 26744 1 217 . 1 1 56 56 ASP CA C 13 57.905 0.1 . . . . . . 53 D CA . 26744 1 218 . 1 1 56 56 ASP CB C 13 40.461 0.1 . . . . . . 53 D CB . 26744 1 219 . 1 1 56 56 ASP N N 15 119.760 0.05 . . . . . . 53 D N . 26744 1 220 . 1 1 57 57 GLY H H 1 8.904 0.01 . . . . . . 54 G H . 26744 1 221 . 1 1 57 57 GLY CA C 13 47.945 0.1 . . . . . . 54 G CA . 26744 1 222 . 1 1 57 57 GLY N N 15 107.949 0.05 . . . . . . 54 G N . 26744 1 223 . 1 1 58 58 PRO C C 13 179.518 0.1 . . . . . . 55 P C . 26744 1 224 . 1 1 58 58 PRO CA C 13 63.937 0.1 . . . . . . 55 P CA . 26744 1 225 . 1 1 58 58 PRO CB C 13 31.613 0.1 . . . . . . 55 P CB . 26744 1 226 . 1 1 59 59 PHE H H 1 7.728 0.01 . . . . . . 56 F H . 26744 1 227 . 1 1 59 59 PHE C C 13 175.502 0.1 . . . . . . 56 F C . 26744 1 228 . 1 1 59 59 PHE CA C 13 61.111 0.1 . . . . . . 56 F CA . 26744 1 229 . 1 1 59 59 PHE CB C 13 38.505 0.1 . . . . . . 56 F CB . 26744 1 230 . 1 1 59 59 PHE N N 15 118.850 0.05 . . . . . . 56 F N . 26744 1 231 . 1 1 60 60 LEU H H 1 8.437 0.01 . . . . . . 57 L H . 26744 1 232 . 1 1 60 60 LEU C C 13 180.327 0.1 . . . . . . 57 L C . 26744 1 233 . 1 1 60 60 LEU CA C 13 57.397 0.1 . . . . . . 57 L CA . 26744 1 234 . 1 1 60 60 LEU CB C 13 40.380 0.1 . . . . . . 57 L CB . 26744 1 235 . 1 1 60 60 LEU N N 15 120.637 0.05 . . . . . . 57 L N . 26744 1 236 . 1 1 61 61 SER H H 1 8.437 0.01 . . . . . . 58 S H . 26744 1 237 . 1 1 61 61 SER C C 13 177.382 0.1 . . . . . . 58 S C . 26744 1 238 . 1 1 61 61 SER CA C 13 61.084 0.1 . . . . . . 58 S CA . 26744 1 239 . 1 1 61 61 SER CB C 13 61.263 0.1 . . . . . . 58 S CB . 26744 1 240 . 1 1 61 61 SER N N 15 114.873 0.05 . . . . . . 58 S N . 26744 1 241 . 1 1 62 62 ALA H H 1 7.731 0.01 . . . . . . 59 A H . 26744 1 242 . 1 1 62 62 ALA C C 13 178.287 0.1 . . . . . . 59 A C . 26744 1 243 . 1 1 62 62 ALA CA C 13 54.483 0.1 . . . . . . 59 A CA . 26744 1 244 . 1 1 62 62 ALA CB C 13 17.799 0.1 . . . . . . 59 A CB . 26744 1 245 . 1 1 62 62 ALA N N 15 125.671 0.05 . . . . . . 59 A N . 26744 1 246 . 1 1 63 63 LYS H H 1 8.157 0.01 . . . . . . 60 K H . 26744 1 247 . 1 1 63 63 LYS C C 13 179.351 0.1 . . . . . . 60 K C . 26744 1 248 . 1 1 63 63 LYS CA C 13 59.813 0.1 . . . . . . 60 K CA . 26744 1 249 . 1 1 63 63 LYS CB C 13 31.089 0.1 . . . . . . 60 K CB . 26744 1 250 . 1 1 63 63 LYS N N 15 119.008 0.05 . . . . . . 60 K N . 26744 1 251 . 1 1 64 64 ARG H H 1 8.075 0.01 . . . . . . 61 R H . 26744 1 252 . 1 1 64 64 ARG C C 13 178.489 0.1 . . . . . . 61 R C . 26744 1 253 . 1 1 64 64 ARG CA C 13 58.538 0.1 . . . . . . 61 R CA . 26744 1 254 . 1 1 64 64 ARG CB C 13 29.162 0.1 . . . . . . 61 R CB . 26744 1 255 . 1 1 64 64 ARG N N 15 118.268 0.05 . . . . . . 61 R N . 26744 1 256 . 1 1 65 65 GLN H H 1 7.551 0.01 . . . . . . 62 Q H . 26744 1 257 . 1 1 65 65 GLN C C 13 178.593 0.1 . . . . . . 62 Q C . 26744 1 258 . 1 1 65 65 GLN CA C 13 58.206 0.1 . . . . . . 62 Q CA . 26744 1 259 . 1 1 65 65 GLN CB C 13 27.508 0.1 . . . . . . 62 Q CB . 26744 1 260 . 1 1 65 65 GLN N N 15 120.839 0.05 . . . . . . 62 Q N . 26744 1 261 . 1 1 66 66 VAL H H 1 8.019 0.01 . . . . . . 63 V H . 26744 1 262 . 1 1 66 66 VAL C C 13 177.820 0.1 . . . . . . 63 V C . 26744 1 263 . 1 1 66 66 VAL CA C 13 66.773 0.1 . . . . . . 63 V CA . 26744 1 264 . 1 1 66 66 VAL CB C 13 30.832 0.1 . . . . . . 63 V CB . 26744 1 265 . 1 1 66 66 VAL N N 15 120.632 0.05 . . . . . . 63 V N . 26744 1 266 . 1 1 67 67 GLU H H 1 8.040 0.01 . . . . . . 64 E H . 26744 1 267 . 1 1 67 67 GLU C C 13 180.917 0.1 . . . . . . 64 E C . 26744 1 268 . 1 1 67 67 GLU CA C 13 58.947 0.1 . . . . . . 64 E CA . 26744 1 269 . 1 1 67 67 GLU CB C 13 28.838 0.1 . . . . . . 64 E CB . 26744 1 270 . 1 1 67 67 GLU N N 15 119.971 0.05 . . . . . . 64 E N . 26744 1 271 . 1 1 68 68 LYS H H 1 8.552 0.01 . . . . . . 65 K H . 26744 1 272 . 1 1 68 68 LYS C C 13 178.712 0.1 . . . . . . 65 K C . 26744 1 273 . 1 1 68 68 LYS CA C 13 58.600 0.1 . . . . . . 65 K CA . 26744 1 274 . 1 1 68 68 LYS CB C 13 30.973 0.1 . . . . . . 65 K CB . 26744 1 275 . 1 1 68 68 LYS N N 15 121.820 0.05 . . . . . . 65 K N . 26744 1 276 . 1 1 69 69 SER H H 1 7.780 0.01 . . . . . . 66 S H . 26744 1 277 . 1 1 69 69 SER C C 13 174.296 0.1 . . . . . . 66 S C . 26744 1 278 . 1 1 69 69 SER CA C 13 58.848 0.1 . . . . . . 66 S CA . 26744 1 279 . 1 1 69 69 SER CB C 13 63.822 0.1 . . . . . . 66 S CB . 26744 1 280 . 1 1 69 69 SER N N 15 112.487 0.05 . . . . . . 66 S N . 26744 1 281 . 1 1 70 70 GLY H H 1 7.858 0.01 . . . . . . 67 G H . 26744 1 282 . 1 1 70 70 GLY C C 13 176.762 0.1 . . . . . . 67 G C . 26744 1 283 . 1 1 70 70 GLY CA C 13 46.142 0.1 . . . . . . 67 G CA . 26744 1 284 . 1 1 70 70 GLY N N 15 110.169 0.05 . . . . . . 67 G N . 26744 1 285 . 1 1 71 71 LEU H H 1 7.833 0.01 . . . . . . 68 L H . 26744 1 286 . 1 1 71 71 LEU C C 13 177.458 0.1 . . . . . . 68 L C . 26744 1 287 . 1 1 71 71 LEU CA C 13 53.873 0.1 . . . . . . 68 L CA . 26744 1 288 . 1 1 71 71 LEU CB C 13 42.215 0.1 . . . . . . 68 L CB . 26744 1 289 . 1 1 71 71 LEU N N 15 118.019 0.05 . . . . . . 68 L N . 26744 1 290 . 1 1 72 72 ASN H H 1 8.686 0.01 . . . . . . 69 N H . 26744 1 291 . 1 1 72 72 ASN CA C 13 56.073 0.1 . . . . . . 69 N CA . 26744 1 292 . 1 1 72 72 ASN CB C 13 37.258 0.1 . . . . . . 69 N CB . 26744 1 293 . 1 1 72 72 ASN N N 15 120.810 0.05 . . . . . . 69 N N . 26744 1 294 . 1 1 73 73 SER H H 1 8.583 0.01 . . . . . . 70 S H . 26744 1 295 . 1 1 73 73 SER C C 13 174.492 0.1 . . . . . . 70 S C . 26744 1 296 . 1 1 73 73 SER CA C 13 59.720 0.1 . . . . . . 70 S CA . 26744 1 297 . 1 1 73 73 SER CB C 13 62.049 0.1 . . . . . . 70 S CB . 26744 1 298 . 1 1 73 73 SER N N 15 112.130 0.05 . . . . . . 70 S N . 26744 1 299 . 1 1 74 74 HIS H H 1 7.665 0.01 . . . . . . 71 H H . 26744 1 300 . 1 1 74 74 HIS C C 13 173.741 0.1 . . . . . . 71 H C . 26744 1 301 . 1 1 74 74 HIS CA C 13 56.410 0.1 . . . . . . 71 H CA . 26744 1 302 . 1 1 74 74 HIS CB C 13 33.451 0.1 . . . . . . 71 H CB . 26744 1 303 . 1 1 74 74 HIS N N 15 117.574 0.05 . . . . . . 71 H N . 26744 1 304 . 1 1 75 75 ILE H H 1 7.690 0.01 . . . . . . 72 I H . 26744 1 305 . 1 1 75 75 ILE C C 13 173.721 0.1 . . . . . . 72 I C . 26744 1 306 . 1 1 75 75 ILE CA C 13 59.450 0.1 . . . . . . 72 I CA . 26744 1 307 . 1 1 75 75 ILE CB C 13 38.481 0.1 . . . . . . 72 I CB . 26744 1 308 . 1 1 75 75 ILE N N 15 118.665 0.05 . . . . . . 72 I N . 26744 1 309 . 1 1 76 76 SER H H 1 8.272 0.01 . . . . . . 73 S H . 26744 1 310 . 1 1 76 76 SER C C 13 173.944 0.1 . . . . . . 73 S C . 26744 1 311 . 1 1 76 76 SER CA C 13 55.553 0.1 . . . . . . 73 S CA . 26744 1 312 . 1 1 76 76 SER CB C 13 63.169 0.1 . . . . . . 73 S CB . 26744 1 313 . 1 1 76 76 SER N N 15 121.197 0.05 . . . . . . 73 S N . 26744 1 314 . 1 1 77 77 VAL H H 1 8.818 0.01 . . . . . . 74 V H . 26744 1 315 . 1 1 77 77 VAL C C 13 175.602 0.1 . . . . . . 74 V C . 26744 1 316 . 1 1 77 77 VAL CA C 13 61.567 0.1 . . . . . . 74 V CA . 26744 1 317 . 1 1 77 77 VAL CB C 13 30.338 0.1 . . . . . . 74 V CB . 26744 1 318 . 1 1 77 77 VAL N N 15 130.753 0.05 . . . . . . 74 V N . 26744 1 319 . 1 1 78 78 ARG H H 1 8.979 0.01 . . . . . . 75 R H . 26744 1 320 . 1 1 78 78 ARG C C 13 173.401 0.1 . . . . . . 75 R C . 26744 1 321 . 1 1 78 78 ARG CA C 13 54.550 0.1 . . . . . . 75 R CA . 26744 1 322 . 1 1 78 78 ARG CB C 13 34.849 0.1 . . . . . . 75 R CB . 26744 1 323 . 1 1 78 78 ARG N N 15 127.178 0.05 . . . . . . 75 R N . 26744 1 324 . 1 1 79 79 GLN H H 1 8.666 0.01 . . . . . . 76 Q H . 26744 1 325 . 1 1 79 79 GLN C C 13 175.775 0.1 . . . . . . 76 Q C . 26744 1 326 . 1 1 79 79 GLN CA C 13 52.746 0.1 . . . . . . 76 Q CA . 26744 1 327 . 1 1 79 79 GLN CB C 13 27.871 0.1 . . . . . . 76 Q CB . 26744 1 328 . 1 1 79 79 GLN N N 15 124.174 0.05 . . . . . . 76 Q N . 26744 1 329 . 1 1 80 80 GLY H H 1 8.581 0.01 . . . . . . 77 G H . 26744 1 330 . 1 1 80 80 GLY C C 13 170.462 0.1 . . . . . . 77 G C . 26744 1 331 . 1 1 80 80 GLY CA C 13 44.462 0.1 . . . . . . 77 G CA . 26744 1 332 . 1 1 80 80 GLY N N 15 115.410 0.05 . . . . . . 77 G N . 26744 1 333 . 1 1 81 81 ASP H H 1 8.664 0.01 . . . . . . 78 D H . 26744 1 334 . 1 1 81 81 ASP C C 13 177.006 0.1 . . . . . . 78 D C . 26744 1 335 . 1 1 81 81 ASP CA C 13 52.918 0.1 . . . . . . 78 D CA . 26744 1 336 . 1 1 81 81 ASP CB C 13 40.443 0.1 . . . . . . 78 D CB . 26744 1 337 . 1 1 81 81 ASP N N 15 119.385 0.05 . . . . . . 78 D N . 26744 1 338 . 1 1 82 82 GLY H H 1 7.722 0.01 . . . . . . 79 G H . 26744 1 339 . 1 1 82 82 GLY C C 13 175.206 0.1 . . . . . . 79 G C . 26744 1 340 . 1 1 82 82 GLY CA C 13 46.686 0.1 . . . . . . 79 G CA . 26744 1 341 . 1 1 82 82 GLY N N 15 114.092 0.05 . . . . . . 79 G N . 26744 1 342 . 1 1 83 83 LEU H H 1 9.378 0.01 . . . . . . 80 L H . 26744 1 343 . 1 1 83 83 LEU C C 13 176.166 0.1 . . . . . . 80 L C . 26744 1 344 . 1 1 83 83 LEU CA C 13 55.630 0.1 . . . . . . 80 L CA . 26744 1 345 . 1 1 83 83 LEU CB C 13 38.912 0.1 . . . . . . 80 L CB . 26744 1 346 . 1 1 83 83 LEU N N 15 124.807 0.05 . . . . . . 80 L N . 26744 1 347 . 1 1 84 84 GLU H H 1 8.024 0.01 . . . . . . 81 E H . 26744 1 348 . 1 1 84 84 GLU C C 13 177.137 0.1 . . . . . . 81 E C . 26744 1 349 . 1 1 84 84 GLU CA C 13 58.534 0.1 . . . . . . 81 E CA . 26744 1 350 . 1 1 84 84 GLU CB C 13 29.462 0.1 . . . . . . 81 E CB . 26744 1 351 . 1 1 84 84 GLU N N 15 119.924 0.05 . . . . . . 81 E N . 26744 1 352 . 1 1 85 85 VAL H H 1 6.241 0.01 . . . . . . 82 V H . 26744 1 353 . 1 1 85 85 VAL C C 13 175.615 0.1 . . . . . . 82 V C . 26744 1 354 . 1 1 85 85 VAL CA C 13 61.513 0.1 . . . . . . 82 V CA . 26744 1 355 . 1 1 85 85 VAL CB C 13 30.538 0.1 . . . . . . 82 V CB . 26744 1 356 . 1 1 85 85 VAL N N 15 102.190 0.05 . . . . . . 82 V N . 26744 1 357 . 1 1 86 86 ILE H H 1 7.209 0.01 . . . . . . 83 I H . 26744 1 358 . 1 1 86 86 ILE C C 13 174.487 0.1 . . . . . . 83 I C . 26744 1 359 . 1 1 86 86 ILE CA C 13 58.998 0.1 . . . . . . 83 I CA . 26744 1 360 . 1 1 86 86 ILE CB C 13 39.460 0.1 . . . . . . 83 I CB . 26744 1 361 . 1 1 86 86 ILE N N 15 114.077 0.05 . . . . . . 83 I N . 26744 1 362 . 1 1 87 87 LYS H H 1 8.701 0.01 . . . . . . 84 K H . 26744 1 363 . 1 1 87 87 LYS C C 13 177.008 0.1 . . . . . . 84 K C . 26744 1 364 . 1 1 87 87 LYS CA C 13 53.855 0.1 . . . . . . 84 K CA . 26744 1 365 . 1 1 87 87 LYS CB C 13 32.349 0.1 . . . . . . 84 K CB . 26744 1 366 . 1 1 87 87 LYS N N 15 121.204 0.05 . . . . . . 84 K N . 26744 1 367 . 1 1 88 88 LYS H H 1 8.778 0.01 . . . . . . 85 K H . 26744 1 368 . 1 1 88 88 LYS C C 13 178.520 0.1 . . . . . . 85 K C . 26744 1 369 . 1 1 88 88 LYS CA C 13 57.918 0.1 . . . . . . 85 K CA . 26744 1 370 . 1 1 88 88 LYS CB C 13 31.612 0.1 . . . . . . 85 K CB . 26744 1 371 . 1 1 88 88 LYS N N 15 124.780 0.05 . . . . . . 85 K N . 26744 1 372 . 1 1 89 89 GLY H H 1 9.143 0.01 . . . . . . 86 G H . 26744 1 373 . 1 1 89 89 GLY C C 13 174.425 0.1 . . . . . . 86 G C . 26744 1 374 . 1 1 89 89 GLY CA C 13 45.342 0.1 . . . . . . 86 G CA . 26744 1 375 . 1 1 89 89 GLY N N 15 116.960 0.05 . . . . . . 86 G N . 26744 1 376 . 1 1 90 90 GLU H H 1 8.018 0.01 . . . . . . 87 E H . 26744 1 377 . 1 1 90 90 GLU C C 13 176.113 0.1 . . . . . . 87 E C . 26744 1 378 . 1 1 90 90 GLU CA C 13 58.124 0.1 . . . . . . 87 E CA . 26744 1 379 . 1 1 90 90 GLU CB C 13 30.832 0.1 . . . . . . 87 E CB . 26744 1 380 . 1 1 90 90 GLU N N 15 121.699 0.05 . . . . . . 87 E N . 26744 1 381 . 1 1 91 91 ALA H H 1 8.724 0.01 . . . . . . 88 A H . 26744 1 382 . 1 1 91 91 ALA C C 13 175.632 0.1 . . . . . . 88 A C . 26744 1 383 . 1 1 91 91 ALA CA C 13 49.861 0.1 . . . . . . 88 A CA . 26744 1 384 . 1 1 91 91 ALA CB C 13 20.492 0.1 . . . . . . 88 A CB . 26744 1 385 . 1 1 91 91 ALA N N 15 119.215 0.05 . . . . . . 88 A N . 26744 1 386 . 1 1 92 92 ASP H H 1 8.888 0.01 . . . . . . 89 D H . 26744 1 387 . 1 1 92 92 ASP C C 13 176.231 0.1 . . . . . . 89 D C . 26744 1 388 . 1 1 92 92 ASP CA C 13 54.387 0.1 . . . . . . 89 D CA . 26744 1 389 . 1 1 92 92 ASP CB C 13 42.857 0.1 . . . . . . 89 D CB . 26744 1 390 . 1 1 92 92 ASP N N 15 117.289 0.05 . . . . . . 89 D N . 26744 1 391 . 1 1 93 93 ALA H H 1 7.852 0.01 . . . . . . 90 A H . 26744 1 392 . 1 1 93 93 ALA C C 13 174.422 0.1 . . . . . . 90 A C . 26744 1 393 . 1 1 93 93 ALA CA C 13 50.062 0.1 . . . . . . 90 A CA . 26744 1 394 . 1 1 93 93 ALA CB C 13 20.236 0.1 . . . . . . 90 A CB . 26744 1 395 . 1 1 93 93 ALA N N 15 120.318 0.05 . . . . . . 90 A N . 26744 1 396 . 1 1 94 94 ILE H H 1 8.990 0.01 . . . . . . 91 I H . 26744 1 397 . 1 1 94 94 ILE C C 13 174.063 0.1 . . . . . . 91 I C . 26744 1 398 . 1 1 94 94 ILE CA C 13 58.657 0.1 . . . . . . 91 I CA . 26744 1 399 . 1 1 94 94 ILE CB C 13 39.461 0.1 . . . . . . 91 I CB . 26744 1 400 . 1 1 94 94 ILE N N 15 125.155 0.05 . . . . . . 91 I N . 26744 1 401 . 1 1 95 95 THR H H 1 9.506 0.01 . . . . . . 92 T H . 26744 1 402 . 1 1 95 95 THR C C 13 173.918 0.1 . . . . . . 92 T C . 26744 1 403 . 1 1 95 95 THR CA C 13 58.044 0.1 . . . . . . 92 T CA . 26744 1 404 . 1 1 95 95 THR CB C 13 69.065 0.1 . . . . . . 92 T CB . 26744 1 405 . 1 1 95 95 THR N N 15 119.246 0.05 . . . . . . 92 T N . 26744 1 406 . 1 1 96 96 ILE H H 1 7.886 0.01 . . . . . . 93 I H . 26744 1 407 . 1 1 96 96 ILE C C 13 173.684 0.1 . . . . . . 93 I C . 26744 1 408 . 1 1 96 96 ILE CA C 13 61.579 0.1 . . . . . . 93 I CA . 26744 1 409 . 1 1 96 96 ILE CB C 13 38.025 0.1 . . . . . . 93 I CB . 26744 1 410 . 1 1 96 96 ILE N N 15 119.435 0.05 . . . . . . 93 I N . 26744 1 411 . 1 1 97 97 ALA H H 1 9.702 0.01 . . . . . . 94 A H . 26744 1 412 . 1 1 97 97 ALA C C 13 176.668 0.1 . . . . . . 94 A C . 26744 1 413 . 1 1 97 97 ALA CA C 13 49.264 0.1 . . . . . . 94 A CA . 26744 1 414 . 1 1 97 97 ALA CB C 13 22.367 0.1 . . . . . . 94 A CB . 26744 1 415 . 1 1 97 97 ALA N N 15 130.942 0.05 . . . . . . 94 A N . 26744 1 416 . 1 1 98 98 GLY H H 1 8.047 0.01 . . . . . . 95 G H . 26744 1 417 . 1 1 98 98 GLY C C 13 174.223 0.1 . . . . . . 95 G C . 26744 1 418 . 1 1 98 98 GLY CA C 13 46.834 0.1 . . . . . . 95 G CA . 26744 1 419 . 1 1 98 98 GLY N N 15 105.700 0.05 . . . . . . 95 G N . 26744 1 420 . 1 1 99 99 MET H H 1 6.766 0.01 . . . . . . 96 M H . 26744 1 421 . 1 1 99 99 MET C C 13 176.135 0.1 . . . . . . 96 M C . 26744 1 422 . 1 1 99 99 MET CA C 13 52.889 0.1 . . . . . . 96 M CA . 26744 1 423 . 1 1 99 99 MET CB C 13 38.002 0.1 . . . . . . 96 M CB . 26744 1 424 . 1 1 99 99 MET N N 15 113.453 0.05 . . . . . . 96 M N . 26744 1 425 . 1 1 100 100 GLY H H 1 9.033 0.01 . . . . . . 97 G H . 26744 1 426 . 1 1 100 100 GLY C C 13 174.174 0.1 . . . . . . 97 G C . 26744 1 427 . 1 1 100 100 GLY CA C 13 45.966 0.1 . . . . . . 97 G CA . 26744 1 428 . 1 1 100 100 GLY N N 15 110.245 0.05 . . . . . . 97 G N . 26744 1 429 . 1 1 101 101 GLY H H 1 8.671 0.01 . . . . . . 98 G H . 26744 1 430 . 1 1 101 101 GLY C C 13 175.486 0.1 . . . . . . 98 G C . 26744 1 431 . 1 1 101 101 GLY CA C 13 47.946 0.1 . . . . . . 98 G CA . 26744 1 432 . 1 1 101 101 GLY N N 15 110.340 0.05 . . . . . . 98 G N . 26744 1 433 . 1 1 102 102 ALA H H 1 9.310 0.01 . . . . . . 99 A H . 26744 1 434 . 1 1 102 102 ALA C C 13 180.174 0.1 . . . . . . 99 A C . 26744 1 435 . 1 1 102 102 ALA CA C 13 55.005 0.1 . . . . . . 99 A CA . 26744 1 436 . 1 1 102 102 ALA CB C 13 16.744 0.1 . . . . . . 99 A CB . 26744 1 437 . 1 1 102 102 ALA N N 15 123.400 0.05 . . . . . . 99 A N . 26744 1 438 . 1 1 103 103 LEU H H 1 7.447 0.01 . . . . . . 100 L H . 26744 1 439 . 1 1 103 103 LEU C C 13 178.799 0.1 . . . . . . 100 L C . 26744 1 440 . 1 1 103 103 LEU CA C 13 57.139 0.1 . . . . . . 100 L CA . 26744 1 441 . 1 1 103 103 LEU CB C 13 39.971 0.1 . . . . . . 100 L CB . 26744 1 442 . 1 1 103 103 LEU N N 15 122.217 0.05 . . . . . . 100 L N . 26744 1 443 . 1 1 104 104 ILE H H 1 8.016 0.01 . . . . . . 101 I H . 26744 1 444 . 1 1 104 104 ILE C C 13 177.105 0.1 . . . . . . 101 I C . 26744 1 445 . 1 1 104 104 ILE CA C 13 66.742 0.1 . . . . . . 101 I CA . 26744 1 446 . 1 1 104 104 ILE CB C 13 39.975 0.1 . . . . . . 101 I CB . 26744 1 447 . 1 1 104 104 ILE N N 15 118.940 0.05 . . . . . . 101 I N . 26744 1 448 . 1 1 105 105 ALA H H 1 8.000 0.01 . . . . . . 102 A H . 26744 1 449 . 1 1 105 105 ALA C C 13 178.475 0.1 . . . . . . 102 A C . 26744 1 450 . 1 1 105 105 ALA CA C 13 54.945 0.1 . . . . . . 102 A CA . 26744 1 451 . 1 1 105 105 ALA CB C 13 16.782 0.1 . . . . . . 102 A CB . 26744 1 452 . 1 1 105 105 ALA N N 15 119.375 0.05 . . . . . . 102 A N . 26744 1 453 . 1 1 106 106 HIS H H 1 7.958 0.01 . . . . . . 103 H H . 26744 1 454 . 1 1 106 106 HIS C C 13 176.982 0.1 . . . . . . 103 H C . 26744 1 455 . 1 1 106 106 HIS CA C 13 58.965 0.1 . . . . . . 103 H CA . 26744 1 456 . 1 1 106 106 HIS CB C 13 28.131 0.1 . . . . . . 103 H CB . 26744 1 457 . 1 1 106 106 HIS N N 15 117.937 0.05 . . . . . . 103 H N . 26744 1 458 . 1 1 107 107 ILE H H 1 8.343 0.01 . . . . . . 104 I H . 26744 1 459 . 1 1 107 107 ILE C C 13 179.450 0.1 . . . . . . 104 I C . 26744 1 460 . 1 1 107 107 ILE CA C 13 64.593 0.1 . . . . . . 104 I CA . 26744 1 461 . 1 1 107 107 ILE CB C 13 37.305 0.1 . . . . . . 104 I CB . 26744 1 462 . 1 1 107 107 ILE N N 15 122.064 0.05 . . . . . . 104 I N . 26744 1 463 . 1 1 108 108 LEU H H 1 7.554 0.01 . . . . . . 105 L H . 26744 1 464 . 1 1 108 108 LEU C C 13 176.560 0.1 . . . . . . 105 L C . 26744 1 465 . 1 1 108 108 LEU CA C 13 57.249 0.1 . . . . . . 105 L CA . 26744 1 466 . 1 1 108 108 LEU CB C 13 37.068 0.1 . . . . . . 105 L CB . 26744 1 467 . 1 1 108 108 LEU N N 15 121.769 0.05 . . . . . . 105 L N . 26744 1 468 . 1 1 109 109 GLU H H 1 7.615 0.01 . . . . . . 106 E H . 26744 1 469 . 1 1 109 109 GLU C C 13 180.024 0.1 . . . . . . 106 E C . 26744 1 470 . 1 1 109 109 GLU CA C 13 58.674 0.1 . . . . . . 106 E CA . 26744 1 471 . 1 1 109 109 GLU CB C 13 28.380 0.1 . . . . . . 106 E CB . 26744 1 472 . 1 1 109 109 GLU N N 15 117.179 0.05 . . . . . . 106 E N . 26744 1 473 . 1 1 110 110 ALA H H 1 8.426 0.01 . . . . . . 107 A H . 26744 1 474 . 1 1 110 110 ALA C C 13 179.344 0.1 . . . . . . 107 A C . 26744 1 475 . 1 1 110 110 ALA CA C 13 53.654 0.1 . . . . . . 107 A CA . 26744 1 476 . 1 1 110 110 ALA CB C 13 17.112 0.1 . . . . . . 107 A CB . 26744 1 477 . 1 1 110 110 ALA N N 15 119.961 0.05 . . . . . . 107 A N . 26744 1 478 . 1 1 111 111 GLY H H 1 7.501 0.01 . . . . . . 108 G H . 26744 1 479 . 1 1 111 111 GLY C C 13 175.362 0.1 . . . . . . 108 G C . 26744 1 480 . 1 1 111 111 GLY CA C 13 44.740 0.1 . . . . . . 108 G CA . 26744 1 481 . 1 1 111 111 GLY N N 15 104.494 0.05 . . . . . . 108 G N . 26744 1 482 . 1 1 112 112 LYS H H 1 7.190 0.01 . . . . . . 109 K H . 26744 1 483 . 1 1 112 112 LYS C C 13 178.175 0.1 . . . . . . 109 K C . 26744 1 484 . 1 1 112 112 LYS CA C 13 59.630 0.1 . . . . . . 109 K CA . 26744 1 485 . 1 1 112 112 LYS CB C 13 30.649 0.1 . . . . . . 109 K CB . 26744 1 486 . 1 1 112 112 LYS N N 15 120.980 0.05 . . . . . . 109 K N . 26744 1 487 . 1 1 113 113 ASP H H 1 8.676 0.01 . . . . . . 110 D H . 26744 1 488 . 1 1 113 113 ASP C C 13 177.574 0.1 . . . . . . 110 D C . 26744 1 489 . 1 1 113 113 ASP CA C 13 55.342 0.1 . . . . . . 110 D CA . 26744 1 490 . 1 1 113 113 ASP CB C 13 39.230 0.1 . . . . . . 110 D CB . 26744 1 491 . 1 1 113 113 ASP N N 15 119.257 0.05 . . . . . . 110 D N . 26744 1 492 . 1 1 114 114 LYS H H 1 8.395 0.01 . . . . . . 111 K H . 26744 1 493 . 1 1 114 114 LYS C C 13 175.562 0.1 . . . . . . 111 K C . 26744 1 494 . 1 1 114 114 LYS CA C 13 54.555 0.1 . . . . . . 111 K CA . 26744 1 495 . 1 1 114 114 LYS CB C 13 31.447 0.1 . . . . . . 111 K CB . 26744 1 496 . 1 1 114 114 LYS N N 15 117.695 0.05 . . . . . . 111 K N . 26744 1 497 . 1 1 115 115 LEU H H 1 7.375 0.01 . . . . . . 112 L H . 26744 1 498 . 1 1 115 115 LEU CA C 13 53.002 0.1 . . . . . . 112 L CA . 26744 1 499 . 1 1 115 115 LEU CB C 13 40.539 0.1 . . . . . . 112 L CB . 26744 1 500 . 1 1 115 115 LEU N N 15 118.128 0.05 . . . . . . 112 L N . 26744 1 501 . 1 1 116 116 THR C C 13 178.174 0.1 . . . . . . 113 T C . 26744 1 502 . 1 1 117 117 GLY H H 1 8.295 0.01 . . . . . . 114 G H . 26744 1 503 . 1 1 117 117 GLY C C 13 175.033 0.1 . . . . . . 114 G C . 26744 1 504 . 1 1 117 117 GLY CA C 13 44.793 0.1 . . . . . . 114 G CA . 26744 1 505 . 1 1 117 117 GLY N N 15 108.840 0.05 . . . . . . 114 G N . 26744 1 506 . 1 1 118 118 LYS H H 1 8.094 0.01 . . . . . . 115 K H . 26744 1 507 . 1 1 118 118 LYS CA C 13 55.562 0.1 . . . . . . 115 K CA . 26744 1 508 . 1 1 118 118 LYS CB C 13 31.624 0.1 . . . . . . 115 K CB . 26744 1 509 . 1 1 118 118 LYS N N 15 120.338 0.05 . . . . . . 115 K N . 26744 1 510 . 1 1 120 120 ARG C C 13 174.569 0.1 . . . . . . 117 R C . 26744 1 511 . 1 1 120 120 ARG CA C 13 55.142 0.1 . . . . . . 117 R CA . 26744 1 512 . 1 1 120 120 ARG CB C 13 31.573 0.1 . . . . . . 117 R CB . 26744 1 513 . 1 1 121 121 LEU H H 1 9.204 0.01 . . . . . . 118 L H . 26744 1 514 . 1 1 121 121 LEU C C 13 175.467 0.1 . . . . . . 118 L C . 26744 1 515 . 1 1 121 121 LEU CA C 13 52.781 0.1 . . . . . . 118 L CA . 26744 1 516 . 1 1 121 121 LEU CB C 13 42.498 0.1 . . . . . . 118 L CB . 26744 1 517 . 1 1 121 121 LEU N N 15 128.216 0.05 . . . . . . 118 L N . 26744 1 518 . 1 1 122 122 ILE H H 1 9.021 0.01 . . . . . . 119 I H . 26744 1 519 . 1 1 122 122 ILE C C 13 173.671 0.1 . . . . . . 119 I C . 26744 1 520 . 1 1 122 122 ILE CA C 13 60.909 0.1 . . . . . . 119 I CA . 26744 1 521 . 1 1 122 122 ILE CB C 13 37.883 0.1 . . . . . . 119 I CB . 26744 1 522 . 1 1 122 122 ILE N N 15 124.173 0.05 . . . . . . 119 I N . 26744 1 523 . 1 1 123 123 LEU H H 1 9.260 0.01 . . . . . . 120 L H . 26744 1 524 . 1 1 123 123 LEU C C 13 175.263 0.1 . . . . . . 120 L C . 26744 1 525 . 1 1 123 123 LEU CA C 13 52.010 0.1 . . . . . . 120 L CA . 26744 1 526 . 1 1 123 123 LEU CB C 13 42.894 0.1 . . . . . . 120 L CB . 26744 1 527 . 1 1 123 123 LEU N N 15 125.583 0.05 . . . . . . 120 L N . 26744 1 528 . 1 1 124 124 GLN H H 1 9.329 0.01 . . . . . . 121 Q H . 26744 1 529 . 1 1 124 124 GLN CA C 13 51.814 0.1 . . . . . . 121 Q CA . 26744 1 530 . 1 1 124 124 GLN CB C 13 30.113 0.1 . . . . . . 121 Q CB . 26744 1 531 . 1 1 124 124 GLN N N 15 124.092 0.05 . . . . . . 121 Q N . 26744 1 532 . 1 1 125 125 PRO C C 13 178.632 0.1 . . . . . . 122 P C . 26744 1 533 . 1 1 125 125 PRO CA C 13 59.873 0.1 . . . . . . 122 P CA . 26744 1 534 . 1 1 125 125 PRO CB C 13 31.277 0.1 . . . . . . 122 P CB . 26744 1 535 . 1 1 126 126 ASN H H 1 8.633 0.01 . . . . . . 123 N H . 26744 1 536 . 1 1 126 126 ASN C C 13 174.276 0.1 . . . . . . 123 N C . 26744 1 537 . 1 1 126 126 ASN CA C 13 53.684 0.1 . . . . . . 123 N CA . 26744 1 538 . 1 1 126 126 ASN CB C 13 37.621 0.1 . . . . . . 123 N CB . 26744 1 539 . 1 1 126 126 ASN N N 15 122.188 0.05 . . . . . . 123 N N . 26744 1 540 . 1 1 127 127 ILE H H 1 7.212 0.01 . . . . . . 124 I H . 26744 1 541 . 1 1 127 127 ILE C C 13 173.510 0.1 . . . . . . 124 I C . 26744 1 542 . 1 1 127 127 ILE CA C 13 59.832 0.1 . . . . . . 124 I CA . 26744 1 543 . 1 1 127 127 ILE CB C 13 39.517 0.1 . . . . . . 124 I CB . 26744 1 544 . 1 1 127 127 ILE N N 15 112.744 0.05 . . . . . . 124 I N . 26744 1 545 . 1 1 128 128 HIS H H 1 8.694 0.01 . . . . . . 125 H H . 26744 1 546 . 1 1 128 128 HIS C C 13 175.410 0.1 . . . . . . 125 H C . 26744 1 547 . 1 1 128 128 HIS CA C 13 55.889 0.1 . . . . . . 125 H CA . 26744 1 548 . 1 1 128 128 HIS CB C 13 27.901 0.1 . . . . . . 125 H CB . 26744 1 549 . 1 1 128 128 HIS N N 15 121.072 0.05 . . . . . . 125 H N . 26744 1 550 . 1 1 129 129 ALA H H 1 9.686 0.01 . . . . . . 126 A H . 26744 1 551 . 1 1 129 129 ALA C C 13 179.316 0.1 . . . . . . 126 A C . 26744 1 552 . 1 1 129 129 ALA CA C 13 55.145 0.1 . . . . . . 126 A CA . 26744 1 553 . 1 1 129 129 ALA CB C 13 18.253 0.1 . . . . . . 126 A CB . 26744 1 554 . 1 1 129 129 ALA N N 15 123.583 0.05 . . . . . . 126 A N . 26744 1 555 . 1 1 130 130 VAL H H 1 8.712 0.01 . . . . . . 127 V H . 26744 1 556 . 1 1 130 130 VAL C C 13 175.116 0.1 . . . . . . 127 V C . 26744 1 557 . 1 1 130 130 VAL CA C 13 62.903 0.1 . . . . . . 127 V CA . 26744 1 558 . 1 1 130 130 VAL CB C 13 30.512 0.1 . . . . . . 127 V CB . 26744 1 559 . 1 1 130 130 VAL N N 15 119.390 0.05 . . . . . . 127 V N . 26744 1 560 . 1 1 131 131 HIS H H 1 6.773 0.01 . . . . . . 128 H H . 26744 1 561 . 1 1 131 131 HIS C C 13 179.867 0.1 . . . . . . 128 H C . 26744 1 562 . 1 1 131 131 HIS CA C 13 57.970 0.1 . . . . . . 128 H CA . 26744 1 563 . 1 1 131 131 HIS CB C 13 29.426 0.1 . . . . . . 128 H CB . 26744 1 564 . 1 1 131 131 HIS N N 15 118.756 0.05 . . . . . . 128 H N . 26744 1 565 . 1 1 132 132 ILE H H 1 7.871 0.01 . . . . . . 129 I H . 26744 1 566 . 1 1 132 132 ILE C C 13 177.356 0.1 . . . . . . 129 I C . 26744 1 567 . 1 1 132 132 ILE CA C 13 64.227 0.1 . . . . . . 129 I CA . 26744 1 568 . 1 1 132 132 ILE CB C 13 37.150 0.1 . . . . . . 129 I CB . 26744 1 569 . 1 1 132 132 ILE N N 15 118.034 0.05 . . . . . . 129 I N . 26744 1 570 . 1 1 133 133 ARG H H 1 7.807 0.01 . . . . . . 130 R H . 26744 1 571 . 1 1 133 133 ARG C C 13 179.919 0.1 . . . . . . 130 R C . 26744 1 572 . 1 1 133 133 ARG CA C 13 61.614 0.1 . . . . . . 130 R CA . 26744 1 573 . 1 1 133 133 ARG CB C 13 27.279 0.1 . . . . . . 130 R CB . 26744 1 574 . 1 1 133 133 ARG N N 15 119.217 0.05 . . . . . . 130 R N . 26744 1 575 . 1 1 134 134 GLU H H 1 8.574 0.01 . . . . . . 131 E H . 26744 1 576 . 1 1 134 134 GLU C C 13 178.738 0.1 . . . . . . 131 E C . 26744 1 577 . 1 1 134 134 GLU CA C 13 59.543 0.1 . . . . . . 131 E CA . 26744 1 578 . 1 1 134 134 GLU CB C 13 29.331 0.1 . . . . . . 131 E CB . 26744 1 579 . 1 1 134 134 GLU N N 15 119.369 0.05 . . . . . . 131 E N . 26744 1 580 . 1 1 135 135 TRP H H 1 7.436 0.01 . . . . . . 132 W H . 26744 1 581 . 1 1 135 135 TRP C C 13 177.178 0.1 . . . . . . 132 W C . 26744 1 582 . 1 1 135 135 TRP CA C 13 62.978 0.1 . . . . . . 132 W CA . 26744 1 583 . 1 1 135 135 TRP CB C 13 28.646 0.1 . . . . . . 132 W CB . 26744 1 584 . 1 1 135 135 TRP N N 15 123.372 0.05 . . . . . . 132 W N . 26744 1 585 . 1 1 136 136 LEU H H 1 9.111 0.01 . . . . . . 133 L H . 26744 1 586 . 1 1 136 136 LEU C C 13 178.045 0.1 . . . . . . 133 L C . 26744 1 587 . 1 1 136 136 LEU CA C 13 57.193 0.1 . . . . . . 133 L CA . 26744 1 588 . 1 1 136 136 LEU CB C 13 40.920 0.1 . . . . . . 133 L CB . 26744 1 589 . 1 1 136 136 LEU N N 15 116.361 0.05 . . . . . . 133 L N . 26744 1 590 . 1 1 137 137 TYR H H 1 7.823 0.01 . . . . . . 134 Y H . 26744 1 591 . 1 1 137 137 TYR C C 13 179.770 0.1 . . . . . . 134 Y C . 26744 1 592 . 1 1 137 137 TYR CA C 13 62.163 0.1 . . . . . . 134 Y CA . 26744 1 593 . 1 1 137 137 TYR CB C 13 39.404 0.1 . . . . . . 134 Y CB . 26744 1 594 . 1 1 137 137 TYR N N 15 117.584 0.05 . . . . . . 134 Y N . 26744 1 595 . 1 1 138 138 LYS H H 1 7.871 0.01 . . . . . . 135 K H . 26744 1 596 . 1 1 138 138 LYS C C 13 177.820 0.1 . . . . . . 135 K C . 26744 1 597 . 1 1 138 138 LYS CA C 13 58.667 0.1 . . . . . . 135 K CA . 26744 1 598 . 1 1 138 138 LYS CB C 13 30.603 0.1 . . . . . . 135 K CB . 26744 1 599 . 1 1 138 138 LYS N N 15 121.634 0.05 . . . . . . 135 K N . 26744 1 600 . 1 1 139 139 GLU H H 1 7.396 0.01 . . . . . . 136 E H . 26744 1 601 . 1 1 139 139 GLU C C 13 174.204 0.1 . . . . . . 136 E C . 26744 1 602 . 1 1 139 139 GLU CA C 13 54.538 0.1 . . . . . . 136 E CA . 26744 1 603 . 1 1 139 139 GLU CB C 13 27.401 0.1 . . . . . . 136 E CB . 26744 1 604 . 1 1 139 139 GLU N N 15 116.115 0.05 . . . . . . 136 E N . 26744 1 605 . 1 1 140 140 ARG H H 1 7.578 0.01 . . . . . . 137 R H . 26744 1 606 . 1 1 140 140 ARG C C 13 174.529 0.1 . . . . . . 137 R C . 26744 1 607 . 1 1 140 140 ARG CA C 13 57.874 0.1 . . . . . . 137 R CA . 26744 1 608 . 1 1 140 140 ARG CB C 13 24.344 0.1 . . . . . . 137 R CB . 26744 1 609 . 1 1 140 140 ARG N N 15 112.917 0.05 . . . . . . 137 R N . 26744 1 610 . 1 1 141 141 TYR H H 1 8.512 0.01 . . . . . . 138 Y H . 26744 1 611 . 1 1 141 141 TYR C C 13 174.489 0.1 . . . . . . 138 Y C . 26744 1 612 . 1 1 141 141 TYR CA C 13 58.648 0.1 . . . . . . 138 Y CA . 26744 1 613 . 1 1 141 141 TYR CB C 13 40.836 0.1 . . . . . . 138 Y CB . 26744 1 614 . 1 1 141 141 TYR N N 15 116.409 0.05 . . . . . . 138 Y N . 26744 1 615 . 1 1 142 142 ALA H H 1 8.986 0.01 . . . . . . 139 A H . 26744 1 616 . 1 1 142 142 ALA C C 13 177.452 0.1 . . . . . . 139 A C . 26744 1 617 . 1 1 142 142 ALA CA C 13 50.102 0.1 . . . . . . 139 A CA . 26744 1 618 . 1 1 142 142 ALA CB C 13 19.386 0.1 . . . . . . 139 A CB . 26744 1 619 . 1 1 142 142 ALA N N 15 122.070 0.05 . . . . . . 139 A N . 26744 1 620 . 1 1 143 143 LEU H H 1 8.078 0.01 . . . . . . 140 L H . 26744 1 621 . 1 1 143 143 LEU C C 13 176.825 0.1 . . . . . . 140 L C . 26744 1 622 . 1 1 143 143 LEU CA C 13 54.319 0.1 . . . . . . 140 L CA . 26744 1 623 . 1 1 143 143 LEU CB C 13 42.250 0.1 . . . . . . 140 L CB . 26744 1 624 . 1 1 143 143 LEU N N 15 123.574 0.05 . . . . . . 140 L N . 26744 1 625 . 1 1 144 144 ILE H H 1 9.221 0.01 . . . . . . 141 I H . 26744 1 626 . 1 1 144 144 ILE C C 13 175.556 0.1 . . . . . . 141 I C . 26744 1 627 . 1 1 144 144 ILE CA C 13 60.532 0.1 . . . . . . 141 I CA . 26744 1 628 . 1 1 144 144 ILE CB C 13 37.929 0.1 . . . . . . 141 I CB . 26744 1 629 . 1 1 144 144 ILE N N 15 119.390 0.05 . . . . . . 141 I N . 26744 1 630 . 1 1 145 145 ASP H H 1 7.377 0.01 . . . . . . 142 D H . 26744 1 631 . 1 1 145 145 ASP C C 13 173.987 0.1 . . . . . . 142 D C . 26744 1 632 . 1 1 145 145 ASP CA C 13 52.794 0.1 . . . . . . 142 D CA . 26744 1 633 . 1 1 145 145 ASP CB C 13 42.246 0.1 . . . . . . 142 D CB . 26744 1 634 . 1 1 145 145 ASP N N 15 118.557 0.05 . . . . . . 142 D N . 26744 1 635 . 1 1 146 146 GLU H H 1 7.839 0.01 . . . . . . 143 E H . 26744 1 636 . 1 1 146 146 GLU C C 13 174.705 0.1 . . . . . . 143 E C . 26744 1 637 . 1 1 146 146 GLU CA C 13 54.991 0.1 . . . . . . 143 E CA . 26744 1 638 . 1 1 146 146 GLU CB C 13 37.534 0.1 . . . . . . 143 E CB . 26744 1 639 . 1 1 146 146 GLU N N 15 115.205 0.05 . . . . . . 143 E N . 26744 1 640 . 1 1 147 147 VAL H H 1 8.981 0.01 . . . . . . 144 V H . 26744 1 641 . 1 1 147 147 VAL C C 13 174.580 0.1 . . . . . . 144 V C . 26744 1 642 . 1 1 147 147 VAL CA C 13 59.930 0.1 . . . . . . 144 V CA . 26744 1 643 . 1 1 147 147 VAL CB C 13 35.927 0.1 . . . . . . 144 V CB . 26744 1 644 . 1 1 147 147 VAL N N 15 119.719 0.05 . . . . . . 144 V N . 26744 1 645 . 1 1 148 148 ILE H H 1 9.195 0.01 . . . . . . 145 I H . 26744 1 646 . 1 1 148 148 ILE C C 13 172.783 0.1 . . . . . . 145 I C . 26744 1 647 . 1 1 148 148 ILE CA C 13 59.319 0.1 . . . . . . 145 I CA . 26744 1 648 . 1 1 148 148 ILE CB C 13 38.946 0.1 . . . . . . 145 I CB . 26744 1 649 . 1 1 148 148 ILE N N 15 123.975 0.05 . . . . . . 145 I N . 26744 1 650 . 1 1 149 149 LEU H H 1 8.737 0.01 . . . . . . 146 L H . 26744 1 651 . 1 1 149 149 LEU C C 13 173.593 0.1 . . . . . . 146 L C . 26744 1 652 . 1 1 149 149 LEU CA C 13 52.929 0.1 . . . . . . 146 L CA . 26744 1 653 . 1 1 149 149 LEU CB C 13 44.106 0.1 . . . . . . 146 L CB . 26744 1 654 . 1 1 149 149 LEU N N 15 126.395 0.05 . . . . . . 146 L N . 26744 1 655 . 1 1 150 150 GLU H H 1 8.621 0.01 . . . . . . 147 E H . 26744 1 656 . 1 1 150 150 GLU C C 13 175.571 0.1 . . . . . . 147 E C . 26744 1 657 . 1 1 150 150 GLU CA C 13 53.775 0.1 . . . . . . 147 E CA . 26744 1 658 . 1 1 150 150 GLU CB C 13 31.853 0.1 . . . . . . 147 E CB . 26744 1 659 . 1 1 150 150 GLU N N 15 120.620 0.05 . . . . . . 147 E N . 26744 1 660 . 1 1 151 151 GLU H H 1 9.110 0.01 . . . . . . 148 E H . 26744 1 661 . 1 1 151 151 GLU C C 13 175.591 0.1 . . . . . . 148 E C . 26744 1 662 . 1 1 151 151 GLU CA C 13 56.046 0.1 . . . . . . 148 E CA . 26744 1 663 . 1 1 151 151 GLU CB C 13 31.797 0.1 . . . . . . 148 E CB . 26744 1 664 . 1 1 151 151 GLU N N 15 124.680 0.05 . . . . . . 148 E N . 26744 1 665 . 1 1 152 152 ASP H H 1 9.538 0.01 . . . . . . 149 D H . 26744 1 666 . 1 1 152 152 ASP C C 13 175.871 0.1 . . . . . . 149 D C . 26744 1 667 . 1 1 152 152 ASP CA C 13 55.135 0.1 . . . . . . 149 D CA . 26744 1 668 . 1 1 152 152 ASP CB C 13 39.344 0.1 . . . . . . 149 D CB . 26744 1 669 . 1 1 152 152 ASP N N 15 128.087 0.05 . . . . . . 149 D N . 26744 1 670 . 1 1 153 153 GLY H H 1 8.801 0.01 . . . . . . 150 G H . 26744 1 671 . 1 1 153 153 GLY C C 13 173.764 0.1 . . . . . . 150 G C . 26744 1 672 . 1 1 153 153 GLY CA C 13 45.121 0.1 . . . . . . 150 G CA . 26744 1 673 . 1 1 153 153 GLY N N 15 103.928 0.05 . . . . . . 150 G N . 26744 1 674 . 1 1 154 154 LYS H H 1 7.680 0.01 . . . . . . 151 K H . 26744 1 675 . 1 1 154 154 LYS C C 13 174.084 0.1 . . . . . . 151 K C . 26744 1 676 . 1 1 154 154 LYS CA C 13 54.068 0.1 . . . . . . 151 K CA . 26744 1 677 . 1 1 154 154 LYS CB C 13 34.166 0.1 . . . . . . 151 K CB . 26744 1 678 . 1 1 154 154 LYS N N 15 121.942 0.05 . . . . . . 151 K N . 26744 1 679 . 1 1 155 155 SER H H 1 8.054 0.01 . . . . . . 152 S H . 26744 1 680 . 1 1 155 155 SER C C 13 173.575 0.1 . . . . . . 152 S C . 26744 1 681 . 1 1 155 155 SER CA C 13 56.197 0.1 . . . . . . 152 S CA . 26744 1 682 . 1 1 155 155 SER CB C 13 64.892 0.1 . . . . . . 152 S CB . 26744 1 683 . 1 1 155 155 SER N N 15 115.948 0.05 . . . . . . 152 S N . 26744 1 684 . 1 1 156 156 TYR H H 1 9.103 0.01 . . . . . . 153 Y H . 26744 1 685 . 1 1 156 156 TYR C C 13 173.593 0.1 . . . . . . 153 Y C . 26744 1 686 . 1 1 156 156 TYR CA C 13 57.187 0.1 . . . . . . 153 Y CA . 26744 1 687 . 1 1 156 156 TYR CB C 13 41.572 0.1 . . . . . . 153 Y CB . 26744 1 688 . 1 1 156 156 TYR N N 15 118.734 0.05 . . . . . . 153 Y N . 26744 1 689 . 1 1 157 157 GLU H H 1 7.996 0.01 . . . . . . 154 E H . 26744 1 690 . 1 1 157 157 GLU C C 13 175.849 0.1 . . . . . . 154 E C . 26744 1 691 . 1 1 157 157 GLU CA C 13 54.077 0.1 . . . . . . 154 E CA . 26744 1 692 . 1 1 157 157 GLU CB C 13 32.415 0.1 . . . . . . 154 E CB . 26744 1 693 . 1 1 157 157 GLU N N 15 120.653 0.05 . . . . . . 154 E N . 26744 1 694 . 1 1 158 158 VAL H H 1 9.203 0.01 . . . . . . 155 V H . 26744 1 695 . 1 1 158 158 VAL C C 13 173.684 0.1 . . . . . . 155 V C . 26744 1 696 . 1 1 158 158 VAL CA C 13 61.210 0.1 . . . . . . 155 V CA . 26744 1 697 . 1 1 158 158 VAL CB C 13 33.606 0.1 . . . . . . 155 V CB . 26744 1 698 . 1 1 158 158 VAL N N 15 119.968 0.05 . . . . . . 155 V N . 26744 1 699 . 1 1 159 159 LEU H H 1 9.483 0.01 . . . . . . 156 L H . 26744 1 700 . 1 1 159 159 LEU C C 13 174.609 0.1 . . . . . . 156 L C . 26744 1 701 . 1 1 159 159 LEU CA C 13 54.637 0.1 . . . . . . 156 L CA . 26744 1 702 . 1 1 159 159 LEU CB C 13 44.284 0.1 . . . . . . 156 L CB . 26744 1 703 . 1 1 159 159 LEU N N 15 127.859 0.05 . . . . . . 156 L N . 26744 1 704 . 1 1 160 160 VAL H H 1 7.816 0.01 . . . . . . 157 V H . 26744 1 705 . 1 1 160 160 VAL C C 13 174.761 0.1 . . . . . . 157 V C . 26744 1 706 . 1 1 160 160 VAL CA C 13 60.470 0.1 . . . . . . 157 V CA . 26744 1 707 . 1 1 160 160 VAL CB C 13 32.130 0.1 . . . . . . 157 V CB . 26744 1 708 . 1 1 160 160 VAL N N 15 120.898 0.05 . . . . . . 157 V N . 26744 1 709 . 1 1 161 161 ALA H H 1 9.573 0.01 . . . . . . 158 A H . 26744 1 710 . 1 1 161 161 ALA C C 13 175.247 0.1 . . . . . . 158 A C . 26744 1 711 . 1 1 161 161 ALA CA C 13 50.489 0.1 . . . . . . 158 A CA . 26744 1 712 . 1 1 161 161 ALA CB C 13 25.473 0.1 . . . . . . 158 A CB . 26744 1 713 . 1 1 161 161 ALA N N 15 130.444 0.05 . . . . . . 158 A N . 26744 1 714 . 1 1 162 162 GLU H H 1 8.849 0.01 . . . . . . 159 E H . 26744 1 715 . 1 1 162 162 GLU C C 13 174.483 0.1 . . . . . . 159 E C . 26744 1 716 . 1 1 162 162 GLU CA C 13 54.651 0.1 . . . . . . 159 E CA . 26744 1 717 . 1 1 162 162 GLU CB C 13 33.754 0.1 . . . . . . 159 E CB . 26744 1 718 . 1 1 162 162 GLU N N 15 117.726 0.05 . . . . . . 159 E N . 26744 1 719 . 1 1 163 163 ALA H H 1 9.208 0.01 . . . . . . 160 A H . 26744 1 720 . 1 1 163 163 ALA C C 13 177.853 0.1 . . . . . . 160 A C . 26744 1 721 . 1 1 163 163 ALA CA C 13 53.381 0.1 . . . . . . 160 A CA . 26744 1 722 . 1 1 163 163 ALA CB C 13 17.511 0.1 . . . . . . 160 A CB . 26744 1 723 . 1 1 163 163 ALA N N 15 125.489 0.05 . . . . . . 160 A N . 26744 1 724 . 1 1 164 164 GLY H H 1 7.782 0.01 . . . . . . 161 G H . 26744 1 725 . 1 1 164 164 GLY C C 13 170.706 0.1 . . . . . . 161 G C . 26744 1 726 . 1 1 164 164 GLY CA C 13 45.448 0.1 . . . . . . 161 G CA . 26744 1 727 . 1 1 164 164 GLY N N 15 108.862 0.05 . . . . . . 161 G N . 26744 1 728 . 1 1 165 165 ASP H H 1 8.567 0.01 . . . . . . 162 D H . 26744 1 729 . 1 1 165 165 ASP C C 13 177.278 0.1 . . . . . . 162 D C . 26744 1 730 . 1 1 165 165 ASP CA C 13 53.084 0.1 . . . . . . 162 D CA . 26744 1 731 . 1 1 165 165 ASP CB C 13 40.367 0.1 . . . . . . 162 D CB . 26744 1 732 . 1 1 165 165 ASP N N 15 121.313 0.05 . . . . . . 162 D N . 26744 1 733 . 1 1 166 166 ARG H H 1 8.884 0.01 . . . . . . 163 R H . 26744 1 734 . 1 1 166 166 ARG C C 13 175.960 0.1 . . . . . . 163 R C . 26744 1 735 . 1 1 166 166 ARG CA C 13 57.208 0.1 . . . . . . 163 R CA . 26744 1 736 . 1 1 166 166 ARG CB C 13 29.200 0.1 . . . . . . 163 R CB . 26744 1 737 . 1 1 166 166 ARG N N 15 127.306 0.05 . . . . . . 163 R N . 26744 1 738 . 1 1 167 167 ASP H H 1 8.048 0.01 . . . . . . 164 D H . 26744 1 739 . 1 1 167 167 ASP C C 13 179.142 0.1 . . . . . . 164 D C . 26744 1 740 . 1 1 167 167 ASP CA C 13 56.182 0.1 . . . . . . 164 D CA . 26744 1 741 . 1 1 167 167 ASP CB C 13 42.258 0.1 . . . . . . 164 D CB . 26744 1 742 . 1 1 167 167 ASP N N 15 116.994 0.05 . . . . . . 164 D N . 26744 1 743 . 1 1 168 168 ALA H H 1 7.373 0.01 . . . . . . 165 A H . 26744 1 744 . 1 1 168 168 ALA C C 13 180.161 0.1 . . . . . . 165 A C . 26744 1 745 . 1 1 168 168 ALA CA C 13 55.798 0.1 . . . . . . 165 A CA . 26744 1 746 . 1 1 168 168 ALA CB C 13 17.063 0.1 . . . . . . 165 A CB . 26744 1 747 . 1 1 168 168 ALA N N 15 126.189 0.05 . . . . . . 165 A N . 26744 1 748 . 1 1 169 169 ALA H H 1 9.005 0.01 . . . . . . 166 A H . 26744 1 749 . 1 1 169 169 ALA C C 13 177.820 0.1 . . . . . . 166 A C . 26744 1 750 . 1 1 169 169 ALA CA C 13 53.175 0.1 . . . . . . 166 A CA . 26744 1 751 . 1 1 169 169 ALA CB C 13 18.841 0.1 . . . . . . 166 A CB . 26744 1 752 . 1 1 169 169 ALA N N 15 117.837 0.05 . . . . . . 166 A N . 26744 1 753 . 1 1 170 170 TYR H H 1 7.385 0.01 . . . . . . 167 Y H . 26744 1 754 . 1 1 170 170 TYR C C 13 174.118 0.1 . . . . . . 167 Y C . 26744 1 755 . 1 1 170 170 TYR CA C 13 57.795 0.1 . . . . . . 167 Y CA . 26744 1 756 . 1 1 170 170 TYR CB C 13 37.350 0.1 . . . . . . 167 Y CB . 26744 1 757 . 1 1 170 170 TYR N N 15 113.556 0.05 . . . . . . 167 Y N . 26744 1 758 . 1 1 171 171 ASP H H 1 7.084 0.01 . . . . . . 168 D H . 26744 1 759 . 1 1 171 171 ASP C C 13 177.666 0.1 . . . . . . 168 D C . 26744 1 760 . 1 1 171 171 ASP CA C 13 55.540 0.1 . . . . . . 168 D CA . 26744 1 761 . 1 1 171 171 ASP CB C 13 40.697 0.1 . . . . . . 168 D CB . 26744 1 762 . 1 1 171 171 ASP N N 15 119.733 0.05 . . . . . . 168 D N . 26744 1 763 . 1 1 172 172 GLY H H 1 8.818 0.01 . . . . . . 169 G H . 26744 1 764 . 1 1 172 172 GLY C C 13 173.092 0.1 . . . . . . 169 G C . 26744 1 765 . 1 1 172 172 GLY CA C 13 45.091 0.1 . . . . . . 169 G CA . 26744 1 766 . 1 1 172 172 GLY N N 15 113.826 0.05 . . . . . . 169 G N . 26744 1 767 . 1 1 173 173 ILE H H 1 7.948 0.01 . . . . . . 170 I H . 26744 1 768 . 1 1 173 173 ILE C C 13 172.701 0.1 . . . . . . 170 I C . 26744 1 769 . 1 1 173 173 ILE CA C 13 59.046 0.1 . . . . . . 170 I CA . 26744 1 770 . 1 1 173 173 ILE CB C 13 40.756 0.1 . . . . . . 170 I CB . 26744 1 771 . 1 1 173 173 ILE N N 15 121.698 0.05 . . . . . . 170 I N . 26744 1 772 . 1 1 174 174 SER H H 1 8.631 0.01 . . . . . . 171 S H . 26744 1 773 . 1 1 174 174 SER C C 13 175.801 0.1 . . . . . . 171 S C . 26744 1 774 . 1 1 174 174 SER CA C 13 58.264 0.1 . . . . . . 171 S CA . 26744 1 775 . 1 1 174 174 SER CB C 13 62.574 0.1 . . . . . . 171 S CB . 26744 1 776 . 1 1 174 174 SER N N 15 121.347 0.05 . . . . . . 171 S N . 26744 1 777 . 1 1 175 175 LEU H H 1 8.612 0.01 . . . . . . 172 L H . 26744 1 778 . 1 1 175 175 LEU C C 13 179.297 0.1 . . . . . . 172 L C . 26744 1 779 . 1 1 175 175 LEU CA C 13 58.075 0.1 . . . . . . 172 L CA . 26744 1 780 . 1 1 175 175 LEU CB C 13 40.561 0.1 . . . . . . 172 L CB . 26744 1 781 . 1 1 175 175 LEU N N 15 126.306 0.05 . . . . . . 172 L N . 26744 1 782 . 1 1 176 176 SER H H 1 8.304 0.01 . . . . . . 173 S H . 26744 1 783 . 1 1 176 176 SER C C 13 177.050 0.1 . . . . . . 173 S C . 26744 1 784 . 1 1 176 176 SER CA C 13 61.601 0.1 . . . . . . 173 S CA . 26744 1 785 . 1 1 176 176 SER CB C 13 61.814 0.1 . . . . . . 173 S CB . 26744 1 786 . 1 1 176 176 SER N N 15 111.472 0.05 . . . . . . 173 S N . 26744 1 787 . 1 1 177 177 ALA H H 1 7.685 0.01 . . . . . . 174 A H . 26744 1 788 . 1 1 177 177 ALA C C 13 179.394 0.1 . . . . . . 174 A C . 26744 1 789 . 1 1 177 177 ALA CA C 13 54.879 0.1 . . . . . . 174 A CA . 26744 1 790 . 1 1 177 177 ALA CB C 13 16.842 0.1 . . . . . . 174 A CB . 26744 1 791 . 1 1 177 177 ALA N N 15 124.213 0.05 . . . . . . 174 A N . 26744 1 792 . 1 1 178 178 GLY H H 1 8.948 0.01 . . . . . . 175 G H . 26744 1 793 . 1 1 178 178 GLY C C 13 176.510 0.1 . . . . . . 175 G C . 26744 1 794 . 1 1 178 178 GLY CA C 13 46.990 0.1 . . . . . . 175 G CA . 26744 1 795 . 1 1 178 178 GLY N N 15 105.259 0.05 . . . . . . 175 G N . 26744 1 796 . 1 1 179 179 MET H H 1 9.003 0.01 . . . . . . 176 M H . 26744 1 797 . 1 1 179 179 MET C C 13 177.295 0.1 . . . . . . 176 M C . 26744 1 798 . 1 1 179 179 MET CA C 13 58.812 0.1 . . . . . . 176 M CA . 26744 1 799 . 1 1 179 179 MET CB C 13 31.072 0.1 . . . . . . 176 M CB . 26744 1 800 . 1 1 179 179 MET N N 15 121.398 0.05 . . . . . . 176 M N . 26744 1 801 . 1 1 180 180 LEU H H 1 7.030 0.01 . . . . . . 177 L H . 26744 1 802 . 1 1 180 180 LEU C C 13 177.886 0.1 . . . . . . 177 L C . 26744 1 803 . 1 1 180 180 LEU CA C 13 57.724 0.1 . . . . . . 177 L CA . 26744 1 804 . 1 1 180 180 LEU CB C 13 40.972 0.1 . . . . . . 177 L CB . 26744 1 805 . 1 1 180 180 LEU N N 15 119.604 0.05 . . . . . . 177 L N . 26744 1 806 . 1 1 181 181 VAL H H 1 7.632 0.01 . . . . . . 178 V H . 26744 1 807 . 1 1 181 181 VAL C C 13 175.116 0.1 . . . . . . 178 V C . 26744 1 808 . 1 1 181 181 VAL CA C 13 60.963 0.1 . . . . . . 178 V CA . 26744 1 809 . 1 1 181 181 VAL CB C 13 31.180 0.1 . . . . . . 178 V CB . 26744 1 810 . 1 1 181 181 VAL N N 15 107.582 0.05 . . . . . . 178 V N . 26744 1 811 . 1 1 182 182 GLY H H 1 7.807 0.01 . . . . . . 179 G H . 26744 1 812 . 1 1 182 182 GLY CA C 13 43.468 0.1 . . . . . . 179 G CA . 26744 1 813 . 1 1 182 182 GLY N N 15 112.971 0.05 . . . . . . 179 G N . 26744 1 814 . 1 1 183 183 PRO C C 13 180.418 0.1 . . . . . . 180 P C . 26744 1 815 . 1 1 183 183 PRO CA C 13 64.217 0.1 . . . . . . 180 P CA . 26744 1 816 . 1 1 183 183 PRO CB C 13 30.446 0.1 . . . . . . 180 P CB . 26744 1 817 . 1 1 184 184 PHE H H 1 8.594 0.01 . . . . . . 181 F H . 26744 1 818 . 1 1 184 184 PHE C C 13 180.252 0.1 . . . . . . 181 F C . 26744 1 819 . 1 1 184 184 PHE CA C 13 61.392 0.1 . . . . . . 181 F CA . 26744 1 820 . 1 1 184 184 PHE CB C 13 36.495 0.1 . . . . . . 181 F CB . 26744 1 821 . 1 1 184 184 PHE N N 15 119.208 0.05 . . . . . . 181 F N . 26744 1 822 . 1 1 185 185 LEU H H 1 7.536 0.01 . . . . . . 182 L H . 26744 1 823 . 1 1 185 185 LEU C C 13 179.657 0.1 . . . . . . 182 L C . 26744 1 824 . 1 1 185 185 LEU CA C 13 57.249 0.1 . . . . . . 182 L CA . 26744 1 825 . 1 1 185 185 LEU CB C 13 38.458 0.1 . . . . . . 182 L CB . 26744 1 826 . 1 1 185 185 LEU N N 15 120.919 0.05 . . . . . . 182 L N . 26744 1 827 . 1 1 186 186 ALA H H 1 8.480 0.01 . . . . . . 183 A H . 26744 1 828 . 1 1 186 186 ALA C C 13 178.540 0.1 . . . . . . 183 A C . 26744 1 829 . 1 1 186 186 ALA CA C 13 53.439 0.1 . . . . . . 183 A CA . 26744 1 830 . 1 1 186 186 ALA CB C 13 17.518 0.1 . . . . . . 183 A CB . 26744 1 831 . 1 1 186 186 ALA N N 15 120.392 0.05 . . . . . . 183 A N . 26744 1 832 . 1 1 187 187 LYS H H 1 6.775 0.01 . . . . . . 184 K H . 26744 1 833 . 1 1 187 187 LYS C C 13 177.990 0.1 . . . . . . 184 K C . 26744 1 834 . 1 1 187 187 LYS CA C 13 57.977 0.1 . . . . . . 184 K CA . 26744 1 835 . 1 1 187 187 LYS CB C 13 31.805 0.1 . . . . . . 184 K CB . 26744 1 836 . 1 1 187 187 LYS N N 15 116.714 0.05 . . . . . . 184 K N . 26744 1 837 . 1 1 188 188 GLU H H 1 7.349 0.01 . . . . . . 185 E H . 26744 1 838 . 1 1 188 188 GLU C C 13 176.402 0.1 . . . . . . 185 E C . 26744 1 839 . 1 1 188 188 GLU CA C 13 57.637 0.1 . . . . . . 185 E CA . 26744 1 840 . 1 1 188 188 GLU CB C 13 29.672 0.1 . . . . . . 185 E CB . 26744 1 841 . 1 1 188 188 GLU N N 15 120.585 0.05 . . . . . . 185 E N . 26744 1 842 . 1 1 189 189 LYS H H 1 7.946 0.01 . . . . . . 186 K H . 26744 1 843 . 1 1 189 189 LYS C C 13 174.486 0.1 . . . . . . 186 K C . 26744 1 844 . 1 1 189 189 LYS CA C 13 56.408 0.1 . . . . . . 186 K CA . 26744 1 845 . 1 1 189 189 LYS CB C 13 30.538 0.1 . . . . . . 186 K CB . 26744 1 846 . 1 1 189 189 LYS N N 15 118.355 0.05 . . . . . . 186 K N . 26744 1 847 . 1 1 190 190 ASN H H 1 8.927 0.01 . . . . . . 187 N H . 26744 1 848 . 1 1 190 190 ASN C C 13 174.906 0.1 . . . . . . 187 N C . 26744 1 849 . 1 1 190 190 ASN CA C 13 51.957 0.1 . . . . . . 187 N CA . 26744 1 850 . 1 1 190 190 ASN CB C 13 37.309 0.1 . . . . . . 187 N CB . 26744 1 851 . 1 1 190 190 ASN N N 15 117.916 0.05 . . . . . . 187 N N . 26744 1 852 . 1 1 191 191 ALA H H 1 8.393 0.01 . . . . . . 188 A H . 26744 1 853 . 1 1 191 191 ALA C C 13 181.017 0.1 . . . . . . 188 A C . 26744 1 854 . 1 1 191 191 ALA CA C 13 55.280 0.1 . . . . . . 188 A CA . 26744 1 855 . 1 1 191 191 ALA CB C 13 18.099 0.1 . . . . . . 188 A CB . 26744 1 856 . 1 1 191 191 ALA N N 15 118.567 0.05 . . . . . . 188 A N . 26744 1 857 . 1 1 192 192 VAL H H 1 7.809 0.01 . . . . . . 189 V H . 26744 1 858 . 1 1 192 192 VAL C C 13 178.266 0.1 . . . . . . 189 V C . 26744 1 859 . 1 1 192 192 VAL CA C 13 65.606 0.1 . . . . . . 189 V CA . 26744 1 860 . 1 1 192 192 VAL CB C 13 30.400 0.1 . . . . . . 189 V CB . 26744 1 861 . 1 1 192 192 VAL N N 15 121.072 0.05 . . . . . . 189 V N . 26744 1 862 . 1 1 193 193 PHE H H 1 8.624 0.01 . . . . . . 190 F H . 26744 1 863 . 1 1 193 193 PHE C C 13 177.022 0.1 . . . . . . 190 F C . 26744 1 864 . 1 1 193 193 PHE CA C 13 61.796 0.1 . . . . . . 190 F CA . 26744 1 865 . 1 1 193 193 PHE CB C 13 38.751 0.1 . . . . . . 190 F CB . 26744 1 866 . 1 1 193 193 PHE N N 15 123.367 0.05 . . . . . . 190 F N . 26744 1 867 . 1 1 194 194 LEU H H 1 8.765 0.01 . . . . . . 191 L H . 26744 1 868 . 1 1 194 194 LEU C C 13 180.483 0.1 . . . . . . 191 L C . 26744 1 869 . 1 1 194 194 LEU CA C 13 57.498 0.1 . . . . . . 191 L CA . 26744 1 870 . 1 1 194 194 LEU CB C 13 40.971 0.1 . . . . . . 191 L CB . 26744 1 871 . 1 1 194 194 LEU N N 15 118.176 0.05 . . . . . . 191 L N . 26744 1 872 . 1 1 195 195 LYS H H 1 7.986 0.01 . . . . . . 192 K H . 26744 1 873 . 1 1 195 195 LYS C C 13 178.025 0.1 . . . . . . 192 K C . 26744 1 874 . 1 1 195 195 LYS CA C 13 59.504 0.1 . . . . . . 192 K CA . 26744 1 875 . 1 1 195 195 LYS CB C 13 31.166 0.1 . . . . . . 192 K CB . 26744 1 876 . 1 1 195 195 LYS N N 15 122.686 0.05 . . . . . . 192 K N . 26744 1 877 . 1 1 196 196 LYS H H 1 7.850 0.01 . . . . . . 193 K H . 26744 1 878 . 1 1 196 196 LYS C C 13 180.038 0.1 . . . . . . 193 K C . 26744 1 879 . 1 1 196 196 LYS CA C 13 58.946 0.1 . . . . . . 193 K CA . 26744 1 880 . 1 1 196 196 LYS CB C 13 31.297 0.1 . . . . . . 193 K CB . 26744 1 881 . 1 1 196 196 LYS N N 15 119.854 0.05 . . . . . . 193 K N . 26744 1 882 . 1 1 197 197 TRP H H 1 7.826 0.01 . . . . . . 194 W H . 26744 1 883 . 1 1 197 197 TRP C C 13 178.371 0.1 . . . . . . 194 W C . 26744 1 884 . 1 1 197 197 TRP CA C 13 59.120 0.1 . . . . . . 194 W CA . 26744 1 885 . 1 1 197 197 TRP CB C 13 28.148 0.1 . . . . . . 194 W CB . 26744 1 886 . 1 1 197 197 TRP N N 15 118.174 0.05 . . . . . . 194 W N . 26744 1 887 . 1 1 198 198 THR H H 1 8.384 0.01 . . . . . . 195 T H . 26744 1 888 . 1 1 198 198 THR C C 13 175.596 0.1 . . . . . . 195 T C . 26744 1 889 . 1 1 198 198 THR CA C 13 67.260 0.1 . . . . . . 195 T CA . 26744 1 890 . 1 1 198 198 THR CB C 13 68.026 0.1 . . . . . . 195 T CB . 26744 1 891 . 1 1 198 198 THR N N 15 118.731 0.05 . . . . . . 195 T N . 26744 1 892 . 1 1 199 199 GLN H H 1 8.621 0.01 . . . . . . 196 Q H . 26744 1 893 . 1 1 199 199 GLN C C 13 178.909 0.1 . . . . . . 196 Q C . 26744 1 894 . 1 1 199 199 GLN CA C 13 58.787 0.1 . . . . . . 196 Q CA . 26744 1 895 . 1 1 199 199 GLN CB C 13 26.903 0.1 . . . . . . 196 Q CB . 26744 1 896 . 1 1 199 199 GLN N N 15 122.024 0.05 . . . . . . 196 Q N . 26744 1 897 . 1 1 200 200 GLU H H 1 7.815 0.01 . . . . . . 197 E H . 26744 1 898 . 1 1 200 200 GLU C C 13 180.072 0.1 . . . . . . 197 E C . 26744 1 899 . 1 1 200 200 GLU CA C 13 58.407 0.1 . . . . . . 197 E CA . 26744 1 900 . 1 1 200 200 GLU CB C 13 28.206 0.1 . . . . . . 197 E CB . 26744 1 901 . 1 1 200 200 GLU N N 15 120.370 0.05 . . . . . . 197 E N . 26744 1 902 . 1 1 201 201 LEU H H 1 8.576 0.01 . . . . . . 198 L H . 26744 1 903 . 1 1 201 201 LEU C C 13 177.596 0.1 . . . . . . 198 L C . 26744 1 904 . 1 1 201 201 LEU CA C 13 58.733 0.1 . . . . . . 198 L CA . 26744 1 905 . 1 1 201 201 LEU CB C 13 39.730 0.1 . . . . . . 198 L CB . 26744 1 906 . 1 1 201 201 LEU N N 15 125.489 0.05 . . . . . . 198 L N . 26744 1 907 . 1 1 202 202 GLN H H 1 8.005 0.01 . . . . . . 199 Q H . 26744 1 908 . 1 1 202 202 GLN C C 13 179.499 0.1 . . . . . . 199 Q C . 26744 1 909 . 1 1 202 202 GLN CA C 13 58.682 0.1 . . . . . . 199 Q CA . 26744 1 910 . 1 1 202 202 GLN CB C 13 26.986 0.1 . . . . . . 199 Q CB . 26744 1 911 . 1 1 202 202 GLN N N 15 119.257 0.05 . . . . . . 199 Q N . 26744 1 912 . 1 1 203 203 HIS H H 1 8.678 0.01 . . . . . . 200 H H . 26744 1 913 . 1 1 203 203 HIS C C 13 177.480 0.1 . . . . . . 200 H C . 26744 1 914 . 1 1 203 203 HIS CA C 13 58.558 0.1 . . . . . . 200 H CA . 26744 1 915 . 1 1 203 203 HIS CB C 13 28.715 0.1 . . . . . . 200 H CB . 26744 1 916 . 1 1 203 203 HIS N N 15 120.006 0.05 . . . . . . 200 H N . 26744 1 917 . 1 1 204 204 THR H H 1 8.545 0.01 . . . . . . 201 T H . 26744 1 918 . 1 1 204 204 THR C C 13 177.400 0.1 . . . . . . 201 T C . 26744 1 919 . 1 1 204 204 THR CA C 13 67.250 0.1 . . . . . . 201 T CA . 26744 1 920 . 1 1 204 204 THR CB C 13 67.865 0.1 . . . . . . 201 T CB . 26744 1 921 . 1 1 204 204 THR N N 15 117.523 0.05 . . . . . . 201 T N . 26744 1 922 . 1 1 205 205 GLN H H 1 7.683 0.01 . . . . . . 202 Q H . 26744 1 923 . 1 1 205 205 GLN C C 13 178.452 0.1 . . . . . . 202 Q C . 26744 1 924 . 1 1 205 205 GLN CA C 13 58.798 0.1 . . . . . . 202 Q CA . 26744 1 925 . 1 1 205 205 GLN CB C 13 27.011 0.1 . . . . . . 202 Q CB . 26744 1 926 . 1 1 205 205 GLN N N 15 121.983 0.05 . . . . . . 202 Q N . 26744 1 927 . 1 1 206 206 SER H H 1 8.003 0.01 . . . . . . 203 S H . 26744 1 928 . 1 1 206 206 SER C C 13 177.479 0.1 . . . . . . 203 S C . 26744 1 929 . 1 1 206 206 SER CA C 13 61.359 0.1 . . . . . . 203 S CA . 26744 1 930 . 1 1 206 206 SER CB C 13 62.008 0.1 . . . . . . 203 S CB . 26744 1 931 . 1 1 206 206 SER N N 15 116.164 0.05 . . . . . . 203 S N . 26744 1 932 . 1 1 207 207 ILE H H 1 7.903 0.01 . . . . . . 204 I H . 26744 1 933 . 1 1 207 207 ILE C C 13 177.915 0.1 . . . . . . 204 I C . 26744 1 934 . 1 1 207 207 ILE CA C 13 63.728 0.1 . . . . . . 204 I CA . 26744 1 935 . 1 1 207 207 ILE CB C 13 36.108 0.1 . . . . . . 204 I CB . 26744 1 936 . 1 1 207 207 ILE N N 15 123.281 0.05 . . . . . . 204 I N . 26744 1 937 . 1 1 208 208 TYR H H 1 8.616 0.01 . . . . . . 205 Y H . 26744 1 938 . 1 1 208 208 TYR C C 13 178.428 0.1 . . . . . . 205 Y C . 26744 1 939 . 1 1 208 208 TYR CA C 13 61.852 0.1 . . . . . . 205 Y CA . 26744 1 940 . 1 1 208 208 TYR CB C 13 37.989 0.1 . . . . . . 205 Y CB . 26744 1 941 . 1 1 208 208 TYR N N 15 122.396 0.05 . . . . . . 205 Y N . 26744 1 942 . 1 1 209 209 GLU H H 1 8.502 0.01 . . . . . . 206 E H . 26744 1 943 . 1 1 209 209 GLU C C 13 179.132 0.1 . . . . . . 206 E C . 26744 1 944 . 1 1 209 209 GLU CA C 13 59.096 0.1 . . . . . . 206 E CA . 26744 1 945 . 1 1 209 209 GLU CB C 13 28.486 0.1 . . . . . . 206 E CB . 26744 1 946 . 1 1 209 209 GLU N N 15 120.171 0.05 . . . . . . 206 E N . 26744 1 947 . 1 1 210 210 GLN H H 1 7.707 0.01 . . . . . . 207 Q H . 26744 1 948 . 1 1 210 210 GLN C C 13 179.841 0.1 . . . . . . 207 Q C . 26744 1 949 . 1 1 210 210 GLN CA C 13 58.682 0.1 . . . . . . 207 Q CA . 26744 1 950 . 1 1 210 210 GLN CB C 13 28.025 0.1 . . . . . . 207 Q CB . 26744 1 951 . 1 1 210 210 GLN N N 15 119.475 0.05 . . . . . . 207 Q N . 26744 1 952 . 1 1 211 211 ILE H H 1 8.703 0.01 . . . . . . 208 I H . 26744 1 953 . 1 1 211 211 ILE C C 13 179.211 0.1 . . . . . . 208 I C . 26744 1 954 . 1 1 211 211 ILE CA C 13 63.358 0.1 . . . . . . 208 I CA . 26744 1 955 . 1 1 211 211 ILE CB C 13 35.811 0.1 . . . . . . 208 I CB . 26744 1 956 . 1 1 211 211 ILE N N 15 121.186 0.05 . . . . . . 208 I N . 26744 1 957 . 1 1 212 212 SER H H 1 8.342 0.01 . . . . . . 209 S H . 26744 1 958 . 1 1 212 212 SER C C 13 174.571 0.1 . . . . . . 209 S C . 26744 1 959 . 1 1 212 212 SER CA C 13 61.330 0.1 . . . . . . 209 S CA . 26744 1 960 . 1 1 212 212 SER CB C 13 62.117 0.1 . . . . . . 209 S CB . 26744 1 961 . 1 1 212 212 SER N N 15 117.347 0.05 . . . . . . 209 S N . 26744 1 962 . 1 1 213 213 GLN H H 1 7.104 0.01 . . . . . . 210 Q H . 26744 1 963 . 1 1 213 213 GLN C C 13 175.813 0.1 . . . . . . 210 Q C . 26744 1 964 . 1 1 213 213 GLN CA C 13 55.082 0.1 . . . . . . 210 Q CA . 26744 1 965 . 1 1 213 213 GLN CB C 13 28.335 0.1 . . . . . . 210 Q CB . 26744 1 966 . 1 1 213 213 GLN N N 15 117.432 0.05 . . . . . . 210 Q N . 26744 1 967 . 1 1 214 214 ALA H H 1 7.328 0.01 . . . . . . 211 A H . 26744 1 968 . 1 1 214 214 ALA C C 13 176.159 0.1 . . . . . . 211 A C . 26744 1 969 . 1 1 214 214 ALA CA C 13 50.752 0.1 . . . . . . 211 A CA . 26744 1 970 . 1 1 214 214 ALA CB C 13 18.941 0.1 . . . . . . 211 A CB . 26744 1 971 . 1 1 214 214 ALA N N 15 124.162 0.05 . . . . . . 211 A N . 26744 1 972 . 1 1 215 215 ALA H H 1 8.018 0.01 . . . . . . 212 A H . 26744 1 973 . 1 1 215 215 ALA C C 13 178.246 0.1 . . . . . . 212 A C . 26744 1 974 . 1 1 215 215 ALA CA C 13 52.455 0.1 . . . . . . 212 A CA . 26744 1 975 . 1 1 215 215 ALA CB C 13 18.477 0.1 . . . . . . 212 A CB . 26744 1 976 . 1 1 215 215 ALA N N 15 120.976 0.05 . . . . . . 212 A N . 26744 1 977 . 1 1 216 216 ASP H H 1 8.631 0.01 . . . . . . 213 D H . 26744 1 978 . 1 1 216 216 ASP C C 13 176.179 0.1 . . . . . . 213 D C . 26744 1 979 . 1 1 216 216 ASP CA C 13 53.699 0.1 . . . . . . 213 D CA . 26744 1 980 . 1 1 216 216 ASP CB C 13 39.013 0.1 . . . . . . 213 D CB . 26744 1 981 . 1 1 216 216 ASP N N 15 122.922 0.05 . . . . . . 213 D N . 26744 1 982 . 1 1 217 217 THR H H 1 7.626 0.01 . . . . . . 214 T H . 26744 1 983 . 1 1 217 217 THR C C 13 175.316 0.1 . . . . . . 214 T C . 26744 1 984 . 1 1 217 217 THR CA C 13 59.486 0.1 . . . . . . 214 T CA . 26744 1 985 . 1 1 217 217 THR CB C 13 71.132 0.1 . . . . . . 214 T CB . 26744 1 986 . 1 1 217 217 THR N N 15 113.582 0.05 . . . . . . 214 T N . 26744 1 987 . 1 1 218 218 GLU H H 1 8.980 0.01 . . . . . . 215 E H . 26744 1 988 . 1 1 218 218 GLU C C 13 179.027 0.1 . . . . . . 215 E C . 26744 1 989 . 1 1 218 218 GLU CA C 13 58.999 0.1 . . . . . . 215 E CA . 26744 1 990 . 1 1 218 218 GLU CB C 13 28.279 0.1 . . . . . . 215 E CB . 26744 1 991 . 1 1 218 218 GLU N N 15 122.659 0.05 . . . . . . 215 E N . 26744 1 992 . 1 1 219 219 GLN H H 1 8.451 0.01 . . . . . . 216 Q H . 26744 1 993 . 1 1 219 219 GLN C C 13 178.655 0.1 . . . . . . 216 Q C . 26744 1 994 . 1 1 219 219 GLN CA C 13 58.542 0.1 . . . . . . 216 Q CA . 26744 1 995 . 1 1 219 219 GLN CB C 13 27.475 0.1 . . . . . . 216 Q CB . 26744 1 996 . 1 1 219 219 GLN N N 15 118.315 0.05 . . . . . . 216 Q N . 26744 1 997 . 1 1 220 220 ASN H H 1 7.874 0.01 . . . . . . 217 N H . 26744 1 998 . 1 1 220 220 ASN C C 13 177.163 0.1 . . . . . . 217 N C . 26744 1 999 . 1 1 220 220 ASN CA C 13 54.825 0.1 . . . . . . 217 N CA . 26744 1 1000 . 1 1 220 220 ASN CB C 13 36.927 0.1 . . . . . . 217 N CB . 26744 1 1001 . 1 1 220 220 ASN N N 15 120.479 0.05 . . . . . . 217 N N . 26744 1 1002 . 1 1 221 221 LYS H H 1 8.395 0.01 . . . . . . 218 K H . 26744 1 1003 . 1 1 221 221 LYS C C 13 180.027 0.1 . . . . . . 218 K C . 26744 1 1004 . 1 1 221 221 LYS CA C 13 59.786 0.1 . . . . . . 218 K CA . 26744 1 1005 . 1 1 221 221 LYS CB C 13 31.287 0.1 . . . . . . 218 K CB . 26744 1 1006 . 1 1 221 221 LYS N N 15 121.629 0.05 . . . . . . 218 K N . 26744 1 1007 . 1 1 222 222 GLN H H 1 7.960 0.01 . . . . . . 219 Q H . 26744 1 1008 . 1 1 222 222 GLN C C 13 178.469 0.1 . . . . . . 219 Q C . 26744 1 1009 . 1 1 222 222 GLN CA C 13 58.131 0.1 . . . . . . 219 Q CA . 26744 1 1010 . 1 1 222 222 GLN CB C 13 26.782 0.1 . . . . . . 219 Q CB . 26744 1 1011 . 1 1 222 222 GLN N N 15 119.646 0.05 . . . . . . 219 Q N . 26744 1 1012 . 1 1 223 223 LYS H H 1 7.833 0.01 . . . . . . 220 K H . 26744 1 1013 . 1 1 223 223 LYS C C 13 179.065 0.1 . . . . . . 220 K C . 26744 1 1014 . 1 1 223 223 LYS CA C 13 58.290 0.1 . . . . . . 220 K CA . 26744 1 1015 . 1 1 223 223 LYS CB C 13 30.977 0.1 . . . . . . 220 K CB . 26744 1 1016 . 1 1 223 223 LYS N N 15 121.603 0.05 . . . . . . 220 K N . 26744 1 1017 . 1 1 224 224 LEU H H 1 8.386 0.01 . . . . . . 221 L H . 26744 1 1018 . 1 1 224 224 LEU C C 13 178.974 0.1 . . . . . . 221 L C . 26744 1 1019 . 1 1 224 224 LEU CA C 13 58.039 0.1 . . . . . . 221 L CA . 26744 1 1020 . 1 1 224 224 LEU CB C 13 40.251 0.1 . . . . . . 221 L CB . 26744 1 1021 . 1 1 224 224 LEU N N 15 118.877 0.05 . . . . . . 221 L N . 26744 1 1022 . 1 1 225 225 LYS H H 1 7.545 0.01 . . . . . . 222 K H . 26744 1 1023 . 1 1 225 225 LYS C C 13 178.508 0.1 . . . . . . 222 K C . 26744 1 1024 . 1 1 225 225 LYS CA C 13 58.987 0.1 . . . . . . 222 K CA . 26744 1 1025 . 1 1 225 225 LYS CB C 13 31.012 0.1 . . . . . . 222 K CB . 26744 1 1026 . 1 1 225 225 LYS N N 15 120.278 0.05 . . . . . . 222 K N . 26744 1 1027 . 1 1 226 226 GLU H H 1 7.862 0.01 . . . . . . 223 E H . 26744 1 1028 . 1 1 226 226 GLU C C 13 180.924 0.1 . . . . . . 223 E C . 26744 1 1029 . 1 1 226 226 GLU CA C 13 58.826 0.1 . . . . . . 223 E CA . 26744 1 1030 . 1 1 226 226 GLU CB C 13 28.780 0.1 . . . . . . 223 E CB . 26744 1 1031 . 1 1 226 226 GLU N N 15 119.504 0.05 . . . . . . 223 E N . 26744 1 1032 . 1 1 227 227 LEU H H 1 8.565 0.01 . . . . . . 224 L H . 26744 1 1033 . 1 1 227 227 LEU C C 13 178.607 0.1 . . . . . . 224 L C . 26744 1 1034 . 1 1 227 227 LEU CA C 13 57.384 0.1 . . . . . . 224 L CA . 26744 1 1035 . 1 1 227 227 LEU CB C 13 42.148 0.1 . . . . . . 224 L CB . 26744 1 1036 . 1 1 227 227 LEU N N 15 121.367 0.05 . . . . . . 224 L N . 26744 1 1037 . 1 1 228 228 ALA H H 1 8.912 0.01 . . . . . . 225 A H . 26744 1 1038 . 1 1 228 228 ALA C C 13 181.101 0.1 . . . . . . 225 A C . 26744 1 1039 . 1 1 228 228 ALA CA C 13 55.080 0.1 . . . . . . 225 A CA . 26744 1 1040 . 1 1 228 228 ALA CB C 13 17.138 0.1 . . . . . . 225 A CB . 26744 1 1041 . 1 1 228 228 ALA N N 15 123.853 0.05 . . . . . . 225 A N . 26744 1 1042 . 1 1 229 229 ASP H H 1 8.486 0.01 . . . . . . 226 D H . 26744 1 1043 . 1 1 229 229 ASP C C 13 178.922 0.1 . . . . . . 226 D C . 26744 1 1044 . 1 1 229 229 ASP CA C 13 56.814 0.1 . . . . . . 226 D CA . 26744 1 1045 . 1 1 229 229 ASP CB C 13 39.135 0.1 . . . . . . 226 D CB . 26744 1 1046 . 1 1 229 229 ASP N N 15 120.018 0.05 . . . . . . 226 D N . 26744 1 1047 . 1 1 230 230 ARG H H 1 7.817 0.01 . . . . . . 227 R H . 26744 1 1048 . 1 1 230 230 ARG C C 13 178.410 0.1 . . . . . . 227 R C . 26744 1 1049 . 1 1 230 230 ARG CA C 13 58.706 0.1 . . . . . . 227 R CA . 26744 1 1050 . 1 1 230 230 ARG CB C 13 28.648 0.1 . . . . . . 227 R CB . 26744 1 1051 . 1 1 230 230 ARG N N 15 122.348 0.05 . . . . . . 227 R N . 26744 1 1052 . 1 1 231 231 MET H H 1 8.492 0.01 . . . . . . 228 M H . 26744 1 1053 . 1 1 231 231 MET C C 13 177.728 0.1 . . . . . . 228 M C . 26744 1 1054 . 1 1 231 231 MET CA C 13 60.099 0.1 . . . . . . 228 M CA . 26744 1 1055 . 1 1 231 231 MET CB C 13 32.509 0.1 . . . . . . 228 M CB . 26744 1 1056 . 1 1 231 231 MET N N 15 117.458 0.05 . . . . . . 228 M N . 26744 1 1057 . 1 1 232 232 GLU H H 1 7.850 0.01 . . . . . . 229 E H . 26744 1 1058 . 1 1 232 232 GLU C C 13 179.473 0.1 . . . . . . 229 E C . 26744 1 1059 . 1 1 232 232 GLU CA C 13 58.929 0.1 . . . . . . 229 E CA . 26744 1 1060 . 1 1 232 232 GLU CB C 13 28.412 0.1 . . . . . . 229 E CB . 26744 1 1061 . 1 1 232 232 GLU N N 15 118.201 0.05 . . . . . . 229 E N . 26744 1 1062 . 1 1 233 233 LEU H H 1 7.584 0.01 . . . . . . 230 L H . 26744 1 1063 . 1 1 233 233 LEU C C 13 179.026 0.1 . . . . . . 230 L C . 26744 1 1064 . 1 1 233 233 LEU CA C 13 57.570 0.1 . . . . . . 230 L CA . 26744 1 1065 . 1 1 233 233 LEU CB C 13 41.276 0.1 . . . . . . 230 L CB . 26744 1 1066 . 1 1 233 233 LEU N N 15 120.310 0.05 . . . . . . 230 L N . 26744 1 1067 . 1 1 234 234 LEU H H 1 7.974 0.01 . . . . . . 231 L H . 26744 1 1068 . 1 1 234 234 LEU C C 13 179.263 0.1 . . . . . . 231 L C . 26744 1 1069 . 1 1 234 234 LEU CA C 13 56.911 0.1 . . . . . . 231 L CA . 26744 1 1070 . 1 1 234 234 LEU CB C 13 41.233 0.1 . . . . . . 231 L CB . 26744 1 1071 . 1 1 234 234 LEU N N 15 116.816 0.05 . . . . . . 231 L N . 26744 1 1072 . 1 1 235 235 LYS H H 1 8.436 0.01 . . . . . . 232 K H . 26744 1 1073 . 1 1 235 235 LYS C C 13 178.502 0.1 . . . . . . 232 K C . 26744 1 1074 . 1 1 235 235 LYS CA C 13 59.495 0.1 . . . . . . 232 K CA . 26744 1 1075 . 1 1 235 235 LYS CB C 13 31.355 0.1 . . . . . . 232 K CB . 26744 1 1076 . 1 1 235 235 LYS N N 15 118.963 0.05 . . . . . . 232 K N . 26744 1 1077 . 1 1 236 236 GLU H H 1 7.392 0.01 . . . . . . 233 E H . 26744 1 1078 . 1 1 236 236 GLU C C 13 178.554 0.1 . . . . . . 233 E C . 26744 1 1079 . 1 1 236 236 GLU CA C 13 58.590 0.1 . . . . . . 233 E CA . 26744 1 1080 . 1 1 236 236 GLU CB C 13 28.425 0.1 . . . . . . 233 E CB . 26744 1 1081 . 1 1 236 236 GLU N N 15 117.936 0.05 . . . . . . 233 E N . 26744 1 1082 . 1 1 237 237 VAL H H 1 7.317 0.01 . . . . . . 234 V H . 26744 1 1083 . 1 1 237 237 VAL C C 13 176.944 0.1 . . . . . . 234 V C . 26744 1 1084 . 1 1 237 237 VAL CA C 13 63.445 0.1 . . . . . . 234 V CA . 26744 1 1085 . 1 1 237 237 VAL CB C 13 31.693 0.1 . . . . . . 234 V CB . 26744 1 1086 . 1 1 237 237 VAL N N 15 113.945 0.05 . . . . . . 234 V N . 26744 1 1087 . 1 1 238 238 ILE H H 1 7.996 0.01 . . . . . . 235 I H . 26744 1 1088 . 1 1 238 238 ILE C C 13 176.287 0.1 . . . . . . 235 I C . 26744 1 1089 . 1 1 238 238 ILE CA C 13 61.473 0.1 . . . . . . 235 I CA . 26744 1 1090 . 1 1 238 238 ILE CB C 13 37.567 0.1 . . . . . . 235 I CB . 26744 1 1091 . 1 1 238 238 ILE N N 15 116.518 0.05 . . . . . . 235 I N . 26744 1 1092 . 1 1 239 239 ASP H H 1 7.931 0.01 . . . . . . 236 D H . 26744 1 1093 . 1 1 239 239 ASP C C 13 175.929 0.1 . . . . . . 236 D C . 26744 1 1094 . 1 1 239 239 ASP CA C 13 54.531 0.1 . . . . . . 236 D CA . 26744 1 1095 . 1 1 239 239 ASP CB C 13 40.500 0.1 . . . . . . 236 D CB . 26744 1 1096 . 1 1 239 239 ASP N N 15 121.537 0.05 . . . . . . 236 D N . 26744 1 1097 . 1 1 240 240 HIS H H 1 8.087 0.01 . . . . . . 237 H H . 26744 1 1098 . 1 1 240 240 HIS C C 13 174.538 0.1 . . . . . . 237 H C . 26744 1 1099 . 1 1 240 240 HIS CA C 13 55.576 0.1 . . . . . . 237 H CA . 26744 1 1100 . 1 1 240 240 HIS CB C 13 29.279 0.1 . . . . . . 237 H CB . 26744 1 1101 . 1 1 240 240 HIS N N 15 119.419 0.05 . . . . . . 237 H N . 26744 1 1102 . 1 1 241 241 GLY H H 1 8.244 0.01 . . . . . . 238 G H . 26744 1 1103 . 1 1 241 241 GLY CA C 13 45.771 0.1 . . . . . . 238 G CA . 26744 1 1104 . 1 1 241 241 GLY N N 15 117.103 0.05 . . . . . . 238 G N . 26744 1 stop_ save_