data_27413 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27413 _Entry.Title ; 1H, 15N, 13C backbone resonance assignment of human alkbh5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-03-02 _Entry.Accession_date 2018-03-02 _Entry.Last_release_date 2018-03-02 _Entry.Original_release_date 2018-03-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Jeffrey Purslow . A. . . 27413 2 Vincenzo Venditti . . . . 27413 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27413 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 609 27413 '15N chemical shifts' 195 27413 '1H chemical shifts' 195 27413 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 . . 2018-11-14 2018-03-02 update BMRB 'update entry citation' 27413 1 . . 2018-06-20 2018-03-02 original author 'original release' 27413 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27413 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29858729 _Citation.Full_citation . _Citation.Title ; 1H, 15N, 13C backbone resonance assignment of human Alkbh5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _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 297 _Citation.Page_last 301 _Citation.Year 2018 _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 Jeffrey Purslow . A. . . 27413 1 2 Vincenzo Venditti . . . . 27413 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27413 _Assembly.ID 1 _Assembly.Name 'Alkbh5 66-292' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 26375 _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 'Alkbh5 66-292, chain 1' 1 $Alkbh5_Residues_66-292 A . yes native no no . . . 27413 1 2 'Alkbh5 66-292, chain 2' 1 $Alkbh5_Residues_66-292 B . yes native no no . . . 27413 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Selectively catalyzes the oxidative demethylation of the internal mRNA modification N6-methyladenosine' 27413 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Alkbh5_Residues_66-292 _Entity.Sf_category entity _Entity.Sf_framecode Alkbh5_Residues_66-292 _Entity.Entry_ID 27413 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Alkbh5_Residues_66-292 _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 ; SHMPERSDYEEQQLQKEEEA RKVKSGIRQMRLFSQDECAK IEARIDEVVSRAEKGLYNEH TVDRAPLRNKYFFGEGYTYG AQLQKRGPGQERLYPPGDVD EIPEWVHQLVIQKLVEHRVI PEGFVNSAVINDYQPGGCIV SHVDPIHIFERPIVSVSFFS DSALCFGCKFQFKPIRVSEP VLSLPVRRGSVTVLSGYAAD EITHCIRPQDIKERRAVIIL RKTRLDAPRL ; _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 230 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Alkbh5 Residues 66-292' _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 'Selectively catalyzes the oxidative demethylation of the internal mRNA modification N6-methyladenosine' 27413 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 1 SER . 27413 1 2 2 HIS . 27413 1 3 3 MET . 27413 1 4 66 PRO . 27413 1 5 67 GLU . 27413 1 6 68 ARG . 27413 1 7 69 SER . 27413 1 8 70 ASP . 27413 1 9 71 TYR . 27413 1 10 72 GLU . 27413 1 11 73 GLU . 27413 1 12 74 GLN . 27413 1 13 75 GLN . 27413 1 14 76 LEU . 27413 1 15 77 GLN . 27413 1 16 78 LYS . 27413 1 17 79 GLU . 27413 1 18 80 GLU . 27413 1 19 81 GLU . 27413 1 20 82 ALA . 27413 1 21 83 ARG . 27413 1 22 84 LYS . 27413 1 23 85 VAL . 27413 1 24 86 LYS . 27413 1 25 87 SER . 27413 1 26 88 GLY . 27413 1 27 89 ILE . 27413 1 28 90 ARG . 27413 1 29 91 GLN . 27413 1 30 92 MET . 27413 1 31 93 ARG . 27413 1 32 94 LEU . 27413 1 33 95 PHE . 27413 1 34 96 SER . 27413 1 35 97 GLN . 27413 1 36 98 ASP . 27413 1 37 99 GLU . 27413 1 38 100 CYS . 27413 1 39 101 ALA . 27413 1 40 102 LYS . 27413 1 41 103 ILE . 27413 1 42 104 GLU . 27413 1 43 105 ALA . 27413 1 44 106 ARG . 27413 1 45 107 ILE . 27413 1 46 108 ASP . 27413 1 47 109 GLU . 27413 1 48 110 VAL . 27413 1 49 111 VAL . 27413 1 50 112 SER . 27413 1 51 113 ARG . 27413 1 52 114 ALA . 27413 1 53 115 GLU . 27413 1 54 116 LYS . 27413 1 55 117 GLY . 27413 1 56 118 LEU . 27413 1 57 119 TYR . 27413 1 58 120 ASN . 27413 1 59 121 GLU . 27413 1 60 122 HIS . 27413 1 61 123 THR . 27413 1 62 124 VAL . 27413 1 63 125 ASP . 27413 1 64 126 ARG . 27413 1 65 127 ALA . 27413 1 66 128 PRO . 27413 1 67 129 LEU . 27413 1 68 130 ARG . 27413 1 69 131 ASN . 27413 1 70 132 LYS . 27413 1 71 133 TYR . 27413 1 72 134 PHE . 27413 1 73 135 PHE . 27413 1 74 136 GLY . 27413 1 75 137 GLU . 27413 1 76 138 GLY . 27413 1 77 139 TYR . 27413 1 78 140 THR . 27413 1 79 141 TYR . 27413 1 80 142 GLY . 27413 1 81 143 ALA . 27413 1 82 144 GLN . 27413 1 83 145 LEU . 27413 1 84 146 GLN . 27413 1 85 147 LYS . 27413 1 86 148 ARG . 27413 1 87 149 GLY . 27413 1 88 150 PRO . 27413 1 89 151 GLY . 27413 1 90 152 GLN . 27413 1 91 153 GLU . 27413 1 92 154 ARG . 27413 1 93 155 LEU . 27413 1 94 156 TYR . 27413 1 95 157 PRO . 27413 1 96 158 PRO . 27413 1 97 159 GLY . 27413 1 98 160 ASP . 27413 1 99 161 VAL . 27413 1 100 162 ASP . 27413 1 101 163 GLU . 27413 1 102 164 ILE . 27413 1 103 165 PRO . 27413 1 104 166 GLU . 27413 1 105 167 TRP . 27413 1 106 168 VAL . 27413 1 107 169 HIS . 27413 1 108 170 GLN . 27413 1 109 171 LEU . 27413 1 110 172 VAL . 27413 1 111 173 ILE . 27413 1 112 174 GLN . 27413 1 113 175 LYS . 27413 1 114 176 LEU . 27413 1 115 177 VAL . 27413 1 116 178 GLU . 27413 1 117 179 HIS . 27413 1 118 180 ARG . 27413 1 119 181 VAL . 27413 1 120 182 ILE . 27413 1 121 183 PRO . 27413 1 122 184 GLU . 27413 1 123 185 GLY . 27413 1 124 186 PHE . 27413 1 125 187 VAL . 27413 1 126 188 ASN . 27413 1 127 189 SER . 27413 1 128 190 ALA . 27413 1 129 191 VAL . 27413 1 130 192 ILE . 27413 1 131 193 ASN . 27413 1 132 194 ASP . 27413 1 133 195 TYR . 27413 1 134 196 GLN . 27413 1 135 197 PRO . 27413 1 136 198 GLY . 27413 1 137 199 GLY . 27413 1 138 200 CYS . 27413 1 139 201 ILE . 27413 1 140 202 VAL . 27413 1 141 203 SER . 27413 1 142 204 HIS . 27413 1 143 205 VAL . 27413 1 144 206 ASP . 27413 1 145 207 PRO . 27413 1 146 208 ILE . 27413 1 147 209 HIS . 27413 1 148 210 ILE . 27413 1 149 211 PHE . 27413 1 150 212 GLU . 27413 1 151 213 ARG . 27413 1 152 214 PRO . 27413 1 153 215 ILE . 27413 1 154 216 VAL . 27413 1 155 217 SER . 27413 1 156 218 VAL . 27413 1 157 219 SER . 27413 1 158 220 PHE . 27413 1 159 221 PHE . 27413 1 160 222 SER . 27413 1 161 223 ASP . 27413 1 162 224 SER . 27413 1 163 225 ALA . 27413 1 164 226 LEU . 27413 1 165 227 CYS . 27413 1 166 228 PHE . 27413 1 167 229 GLY . 27413 1 168 230 CYS . 27413 1 169 231 LYS . 27413 1 170 232 PHE . 27413 1 171 233 GLN . 27413 1 172 234 PHE . 27413 1 173 235 LYS . 27413 1 174 236 PRO . 27413 1 175 237 ILE . 27413 1 176 238 ARG . 27413 1 177 239 VAL . 27413 1 178 240 SER . 27413 1 179 241 GLU . 27413 1 180 242 PRO . 27413 1 181 243 VAL . 27413 1 182 244 LEU . 27413 1 183 245 SER . 27413 1 184 246 LEU . 27413 1 185 247 PRO . 27413 1 186 248 VAL . 27413 1 187 249 ARG . 27413 1 188 250 ARG . 27413 1 189 251 GLY . 27413 1 190 252 SER . 27413 1 191 253 VAL . 27413 1 192 254 THR . 27413 1 193 255 VAL . 27413 1 194 256 LEU . 27413 1 195 257 SER . 27413 1 196 258 GLY . 27413 1 197 259 TYR . 27413 1 198 260 ALA . 27413 1 199 261 ALA . 27413 1 200 262 ASP . 27413 1 201 263 GLU . 27413 1 202 264 ILE . 27413 1 203 265 THR . 27413 1 204 266 HIS . 27413 1 205 267 CYS . 27413 1 206 268 ILE . 27413 1 207 269 ARG . 27413 1 208 270 PRO . 27413 1 209 271 GLN . 27413 1 210 272 ASP . 27413 1 211 273 ILE . 27413 1 212 274 LYS . 27413 1 213 275 GLU . 27413 1 214 276 ARG . 27413 1 215 277 ARG . 27413 1 216 278 ALA . 27413 1 217 279 VAL . 27413 1 218 280 ILE . 27413 1 219 281 ILE . 27413 1 220 282 LEU . 27413 1 221 283 ARG . 27413 1 222 284 LYS . 27413 1 223 285 THR . 27413 1 224 286 ARG . 27413 1 225 287 LEU . 27413 1 226 288 ASP . 27413 1 227 289 ALA . 27413 1 228 290 PRO . 27413 1 229 291 ARG . 27413 1 230 292 LEU . 27413 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 . SER 1 1 27413 1 . HIS 2 2 27413 1 . MET 3 3 27413 1 . PRO 4 4 27413 1 . GLU 5 5 27413 1 . ARG 6 6 27413 1 . SER 7 7 27413 1 . ASP 8 8 27413 1 . TYR 9 9 27413 1 . GLU 10 10 27413 1 . GLU 11 11 27413 1 . GLN 12 12 27413 1 . GLN 13 13 27413 1 . LEU 14 14 27413 1 . GLN 15 15 27413 1 . LYS 16 16 27413 1 . GLU 17 17 27413 1 . GLU 18 18 27413 1 . GLU 19 19 27413 1 . ALA 20 20 27413 1 . ARG 21 21 27413 1 . LYS 22 22 27413 1 . VAL 23 23 27413 1 . LYS 24 24 27413 1 . SER 25 25 27413 1 . GLY 26 26 27413 1 . ILE 27 27 27413 1 . ARG 28 28 27413 1 . GLN 29 29 27413 1 . MET 30 30 27413 1 . ARG 31 31 27413 1 . LEU 32 32 27413 1 . PHE 33 33 27413 1 . SER 34 34 27413 1 . GLN 35 35 27413 1 . ASP 36 36 27413 1 . GLU 37 37 27413 1 . CYS 38 38 27413 1 . ALA 39 39 27413 1 . LYS 40 40 27413 1 . ILE 41 41 27413 1 . GLU 42 42 27413 1 . ALA 43 43 27413 1 . ARG 44 44 27413 1 . ILE 45 45 27413 1 . ASP 46 46 27413 1 . GLU 47 47 27413 1 . VAL 48 48 27413 1 . VAL 49 49 27413 1 . SER 50 50 27413 1 . ARG 51 51 27413 1 . ALA 52 52 27413 1 . GLU 53 53 27413 1 . LYS 54 54 27413 1 . GLY 55 55 27413 1 . LEU 56 56 27413 1 . TYR 57 57 27413 1 . ASN 58 58 27413 1 . GLU 59 59 27413 1 . HIS 60 60 27413 1 . THR 61 61 27413 1 . VAL 62 62 27413 1 . ASP 63 63 27413 1 . ARG 64 64 27413 1 . ALA 65 65 27413 1 . PRO 66 66 27413 1 . LEU 67 67 27413 1 . ARG 68 68 27413 1 . ASN 69 69 27413 1 . LYS 70 70 27413 1 . TYR 71 71 27413 1 . PHE 72 72 27413 1 . PHE 73 73 27413 1 . GLY 74 74 27413 1 . GLU 75 75 27413 1 . GLY 76 76 27413 1 . TYR 77 77 27413 1 . THR 78 78 27413 1 . TYR 79 79 27413 1 . GLY 80 80 27413 1 . ALA 81 81 27413 1 . GLN 82 82 27413 1 . LEU 83 83 27413 1 . GLN 84 84 27413 1 . LYS 85 85 27413 1 . ARG 86 86 27413 1 . GLY 87 87 27413 1 . PRO 88 88 27413 1 . GLY 89 89 27413 1 . GLN 90 90 27413 1 . GLU 91 91 27413 1 . ARG 92 92 27413 1 . LEU 93 93 27413 1 . TYR 94 94 27413 1 . PRO 95 95 27413 1 . PRO 96 96 27413 1 . GLY 97 97 27413 1 . ASP 98 98 27413 1 . VAL 99 99 27413 1 . ASP 100 100 27413 1 . GLU 101 101 27413 1 . ILE 102 102 27413 1 . PRO 103 103 27413 1 . GLU 104 104 27413 1 . TRP 105 105 27413 1 . VAL 106 106 27413 1 . HIS 107 107 27413 1 . GLN 108 108 27413 1 . LEU 109 109 27413 1 . VAL 110 110 27413 1 . ILE 111 111 27413 1 . GLN 112 112 27413 1 . LYS 113 113 27413 1 . LEU 114 114 27413 1 . VAL 115 115 27413 1 . GLU 116 116 27413 1 . HIS 117 117 27413 1 . ARG 118 118 27413 1 . VAL 119 119 27413 1 . ILE 120 120 27413 1 . PRO 121 121 27413 1 . GLU 122 122 27413 1 . GLY 123 123 27413 1 . PHE 124 124 27413 1 . VAL 125 125 27413 1 . ASN 126 126 27413 1 . SER 127 127 27413 1 . ALA 128 128 27413 1 . VAL 129 129 27413 1 . ILE 130 130 27413 1 . ASN 131 131 27413 1 . ASP 132 132 27413 1 . TYR 133 133 27413 1 . GLN 134 134 27413 1 . PRO 135 135 27413 1 . GLY 136 136 27413 1 . GLY 137 137 27413 1 . CYS 138 138 27413 1 . ILE 139 139 27413 1 . VAL 140 140 27413 1 . SER 141 141 27413 1 . HIS 142 142 27413 1 . VAL 143 143 27413 1 . ASP 144 144 27413 1 . PRO 145 145 27413 1 . ILE 146 146 27413 1 . HIS 147 147 27413 1 . ILE 148 148 27413 1 . PHE 149 149 27413 1 . GLU 150 150 27413 1 . ARG 151 151 27413 1 . PRO 152 152 27413 1 . ILE 153 153 27413 1 . VAL 154 154 27413 1 . SER 155 155 27413 1 . VAL 156 156 27413 1 . SER 157 157 27413 1 . PHE 158 158 27413 1 . PHE 159 159 27413 1 . SER 160 160 27413 1 . ASP 161 161 27413 1 . SER 162 162 27413 1 . ALA 163 163 27413 1 . LEU 164 164 27413 1 . CYS 165 165 27413 1 . PHE 166 166 27413 1 . GLY 167 167 27413 1 . CYS 168 168 27413 1 . LYS 169 169 27413 1 . PHE 170 170 27413 1 . GLN 171 171 27413 1 . PHE 172 172 27413 1 . LYS 173 173 27413 1 . PRO 174 174 27413 1 . ILE 175 175 27413 1 . ARG 176 176 27413 1 . VAL 177 177 27413 1 . SER 178 178 27413 1 . GLU 179 179 27413 1 . PRO 180 180 27413 1 . VAL 181 181 27413 1 . LEU 182 182 27413 1 . SER 183 183 27413 1 . LEU 184 184 27413 1 . PRO 185 185 27413 1 . VAL 186 186 27413 1 . ARG 187 187 27413 1 . ARG 188 188 27413 1 . GLY 189 189 27413 1 . SER 190 190 27413 1 . VAL 191 191 27413 1 . THR 192 192 27413 1 . VAL 193 193 27413 1 . LEU 194 194 27413 1 . SER 195 195 27413 1 . GLY 196 196 27413 1 . TYR 197 197 27413 1 . ALA 198 198 27413 1 . ALA 199 199 27413 1 . ASP 200 200 27413 1 . GLU 201 201 27413 1 . ILE 202 202 27413 1 . THR 203 203 27413 1 . HIS 204 204 27413 1 . CYS 205 205 27413 1 . ILE 206 206 27413 1 . ARG 207 207 27413 1 . PRO 208 208 27413 1 . GLN 209 209 27413 1 . ASP 210 210 27413 1 . ILE 211 211 27413 1 . LYS 212 212 27413 1 . GLU 213 213 27413 1 . ARG 214 214 27413 1 . ARG 215 215 27413 1 . ALA 216 216 27413 1 . VAL 217 217 27413 1 . ILE 218 218 27413 1 . ILE 219 219 27413 1 . LEU 220 220 27413 1 . ARG 221 221 27413 1 . LYS 222 222 27413 1 . THR 223 223 27413 1 . ARG 224 224 27413 1 . LEU 225 225 27413 1 . ASP 226 226 27413 1 . ALA 227 227 27413 1 . PRO 228 228 27413 1 . ARG 229 229 27413 1 . LEU 230 230 27413 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 27413 _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 $Alkbh5_Residues_66-292 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27413 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 27413 _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 $Alkbh5_Residues_66-292 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'Modified pET21a' . . 'Incorporated a HIS-Tag, N-terminal domain from the enzyme, EIN, and a TEV recognition cleavage site.' 27413 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27413 _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 'Alkbh5 Residues 66-292' '[U-13C; U-15N; U-2H]' . . 1 $Alkbh5_Residues_66-292 . . 0.45 0.3 0.6 mM . . . . 27413 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27413 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 27413 1 pH 7.4 . pH 27413 1 pressure 1 . atm 27413 1 temperature 273 . K 27413 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27413 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27413 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27413 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 27413 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _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 27413 _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 1 600 Bruker 'Avance II' . 600 . . . 27413 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 27413 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27413 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27413 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27413 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27413 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27413 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27413 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600 . . . . . . . . . . . . . . . . 27413 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 27413 _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 glucose 'methyl carbons' . . . . ppm 0 na indirect 0.251449530 . . . . . 27413 1 H 1 water 'methyl protons' . . . . ppm 0 internal direct 1.00000000 . . . . . 27413 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . 27413 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 27413 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27413 1 2 '3D HNCO' . . . 27413 1 3 '3D HNCA' . . . 27413 1 5 '3D HN(CO)CA' . . . 27413 1 6 '3D HN(COCA)CB' . . . 27413 1 7 '3D HNCACB' . . . 27413 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 $SPARKY . . 27413 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.Ambiguity_set_ID _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 PRO C C 13 175.969 0.00 . 1 . . . . . 66 PRO C . 27413 1 2 . 1 1 4 4 PRO CA C 13 62.270 0.00 . 1 . . . . . 66 PRO CA . 27413 1 3 . 1 1 4 4 PRO CB C 13 33.384 0.00 . 1 . . . . . 66 PRO CB . 27413 1 4 . 1 1 5 5 GLU H H 1 8.571 0.00 . 1 . . . . . 67 GLU H . 27413 1 5 . 1 1 5 5 GLU C C 13 177.683 0.00 . 1 . . . . . 67 GLU C . 27413 1 6 . 1 1 5 5 GLU CA C 13 56.863 0.07 . 1 . . . . . 67 GLU CA . 27413 1 7 . 1 1 5 5 GLU CB C 13 29.928 0.66 . 1 . . . . . 67 GLU CB . 27413 1 8 . 1 1 5 5 GLU N N 15 122.285 0.01 . 1 . . . . . 67 GLU N . 27413 1 9 . 1 1 6 6 ARG H H 1 8.723 0.00 . 1 . . . . . 68 ARG H . 27413 1 10 . 1 1 6 6 ARG C C 13 176.512 0.00 . 1 . . . . . 68 ARG C . 27413 1 11 . 1 1 6 6 ARG CA C 13 54.270 0.00 . 1 . . . . . 68 ARG CA . 27413 1 12 . 1 1 6 6 ARG CB C 13 29.691 0.01 . 1 . . . . . 68 ARG CB . 27413 1 13 . 1 1 6 6 ARG N N 15 123.324 0.02 . 1 . . . . . 68 ARG N . 27413 1 14 . 1 1 7 7 SER H H 1 8.473 0.00 . 1 . . . . . 69 SER H . 27413 1 15 . 1 1 7 7 SER C C 13 175.810 0.00 . 1 . . . . . 69 SER C . 27413 1 16 . 1 1 7 7 SER CA C 13 59.368 0.78 . 1 . . . . . 69 SER CA . 27413 1 17 . 1 1 7 7 SER CB C 13 69.544 0.00 . 1 . . . . . 69 SER CB . 27413 1 18 . 1 1 7 7 SER N N 15 117.974 0.03 . 1 . . . . . 69 SER N . 27413 1 19 . 1 1 8 8 ASP H H 1 7.544 0.01 . 1 . . . . . 70 ASP H . 27413 1 20 . 1 1 8 8 ASP C C 13 176.690 0.00 . 1 . . . . . 70 ASP C . 27413 1 21 . 1 1 8 8 ASP CA C 13 54.893 0.08 . 1 . . . . . 70 ASP CA . 27413 1 22 . 1 1 8 8 ASP CB C 13 40.016 0.00 . 1 . . . . . 70 ASP CB . 27413 1 23 . 1 1 8 8 ASP N N 15 122.388 0.03 . 1 . . . . . 70 ASP N . 27413 1 24 . 1 1 9 9 TYR H H 1 7.984 0.00 . 1 . . . . . 71 TYR H . 27413 1 25 . 1 1 9 9 TYR C C 13 176.770 0.00 . 1 . . . . . 71 TYR C . 27413 1 26 . 1 1 9 9 TYR CA C 13 59.162 0.01 . 1 . . . . . 71 TYR CA . 27413 1 27 . 1 1 9 9 TYR CB C 13 37.695 0.00 . 1 . . . . . 71 TYR CB . 27413 1 28 . 1 1 9 9 TYR N N 15 120.687 0.02 . 1 . . . . . 71 TYR N . 27413 1 29 . 1 1 10 10 GLU H H 1 8.070 0.00 . 1 . . . . . 72 GLU H . 27413 1 30 . 1 1 10 10 GLU C C 13 177.874 0.00 . 1 . . . . . 72 GLU C . 27413 1 31 . 1 1 10 10 GLU CA C 13 57.474 0.02 . 1 . . . . . 72 GLU CA . 27413 1 32 . 1 1 10 10 GLU CB C 13 29.228 0.00 . 1 . . . . . 72 GLU CB . 27413 1 33 . 1 1 10 10 GLU N N 15 121.819 0.06 . 1 . . . . . 72 GLU N . 27413 1 34 . 1 1 11 11 GLU H H 1 8.242 0.00 . 1 . . . . . 73 GLU H . 27413 1 35 . 1 1 11 11 GLU C C 13 178.147 0.00 . 1 . . . . . 73 GLU C . 27413 1 36 . 1 1 11 11 GLU CA C 13 57.695 0.01 . 1 . . . . . 73 GLU CA . 27413 1 37 . 1 1 11 11 GLU CB C 13 28.644 0.00 . 1 . . . . . 73 GLU CB . 27413 1 38 . 1 1 11 11 GLU N N 15 121.800 0.01 . 1 . . . . . 73 GLU N . 27413 1 39 . 1 1 12 12 GLN H H 1 8.149 0.00 . 1 . . . . . 74 GLN H . 27413 1 40 . 1 1 12 12 GLN C C 13 178.404 0.00 . 1 . . . . . 74 GLN C . 27413 1 41 . 1 1 12 12 GLN CA C 13 57.680 0.04 . 1 . . . . . 74 GLN CA . 27413 1 42 . 1 1 12 12 GLN CB C 13 27.435 0.00 . 1 . . . . . 74 GLN CB . 27413 1 43 . 1 1 12 12 GLN N N 15 121.524 0.02 . 1 . . . . . 74 GLN N . 27413 1 44 . 1 1 13 13 GLN H H 1 8.004 0.00 . 1 . . . . . 75 GLN H . 27413 1 45 . 1 1 13 13 GLN C C 13 178.301 0.00 . 1 . . . . . 75 GLN C . 27413 1 46 . 1 1 13 13 GLN CA C 13 57.593 0.11 . 1 . . . . . 75 GLN CA . 27413 1 47 . 1 1 13 13 GLN CB C 13 27.341 0.00 . 1 . . . . . 75 GLN CB . 27413 1 48 . 1 1 13 13 GLN N N 15 120.657 0.02 . 1 . . . . . 75 GLN N . 27413 1 49 . 1 1 14 14 LEU H H 1 8.108 0.00 . 1 . . . . . 76 LEU H . 27413 1 50 . 1 1 14 14 LEU C C 13 179.573 0.00 . 1 . . . . . 76 LEU C . 27413 1 51 . 1 1 14 14 LEU CA C 13 57.025 0.00 . 1 . . . . . 76 LEU CA . 27413 1 52 . 1 1 14 14 LEU CB C 13 40.651 0.02 . 1 . . . . . 76 LEU CB . 27413 1 53 . 1 1 14 14 LEU N N 15 121.080 0.03 . 1 . . . . . 76 LEU N . 27413 1 54 . 1 1 15 15 GLN H H 1 7.994 0.00 . 1 . . . . . 77 GLN H . 27413 1 55 . 1 1 15 15 GLN C C 13 178.631 0.00 . 1 . . . . . 77 GLN C . 27413 1 56 . 1 1 15 15 GLN CA C 13 57.900 0.00 . 1 . . . . . 77 GLN CA . 27413 1 57 . 1 1 15 15 GLN CB C 13 27.138 0.00 . 1 . . . . . 77 GLN CB . 27413 1 58 . 1 1 15 15 GLN N N 15 120.042 0.02 . 1 . . . . . 77 GLN N . 27413 1 59 . 1 1 16 16 LYS H H 1 7.884 0.00 . 1 . . . . . 78 LYS H . 27413 1 60 . 1 1 16 16 LYS C C 13 178.515 0.00 . 1 . . . . . 78 LYS C . 27413 1 61 . 1 1 16 16 LYS CA C 13 58.966 0.01 . 1 . . . . . 78 LYS CA . 27413 1 62 . 1 1 16 16 LYS CB C 13 31.223 0.01 . 1 . . . . . 78 LYS CB . 27413 1 63 . 1 1 16 16 LYS N N 15 122.105 0.00 . 1 . . . . . 78 LYS N . 27413 1 64 . 1 1 17 17 GLU H H 1 7.998 0.00 . 1 . . . . . 79 GLU H . 27413 1 65 . 1 1 17 17 GLU C C 13 179.256 0.00 . 1 . . . . . 79 GLU C . 27413 1 66 . 1 1 17 17 GLU CA C 13 58.541 0.02 . 1 . . . . . 79 GLU CA . 27413 1 67 . 1 1 17 17 GLU CB C 13 28.227 0.02 . 1 . . . . . 79 GLU CB . 27413 1 68 . 1 1 17 17 GLU N N 15 119.765 0.01 . 1 . . . . . 79 GLU N . 27413 1 69 . 1 1 18 18 GLU H H 1 7.905 0.00 . 1 . . . . . 80 GLU H . 27413 1 70 . 1 1 18 18 GLU C C 13 178.719 0.00 . 1 . . . . . 80 GLU C . 27413 1 71 . 1 1 18 18 GLU CA C 13 58.287 0.04 . 1 . . . . . 80 GLU CA . 27413 1 72 . 1 1 18 18 GLU CB C 13 28.093 0.05 . 1 . . . . . 80 GLU CB . 27413 1 73 . 1 1 18 18 GLU N N 15 120.739 0.02 . 1 . . . . . 80 GLU N . 27413 1 74 . 1 1 19 19 GLU H H 1 8.035 0.00 . 1 . . . . . 81 GLU H . 27413 1 75 . 1 1 19 19 GLU C C 13 178.436 0.00 . 1 . . . . . 81 GLU C . 27413 1 76 . 1 1 19 19 GLU CA C 13 59.214 0.00 . 1 . . . . . 81 GLU CA . 27413 1 77 . 1 1 19 19 GLU CB C 13 27.914 0.03 . 1 . . . . . 81 GLU CB . 27413 1 78 . 1 1 19 19 GLU N N 15 121.423 0.02 . 1 . . . . . 81 GLU N . 27413 1 79 . 1 1 20 20 ALA H H 1 8.332 0.00 . 1 . . . . . 82 ALA H . 27413 1 80 . 1 1 20 20 ALA C C 13 179.338 0.00 . 1 . . . . . 82 ALA C . 27413 1 81 . 1 1 20 20 ALA CA C 13 55.227 0.01 . 1 . . . . . 82 ALA CA . 27413 1 82 . 1 1 20 20 ALA CB C 13 16.869 0.00 . 1 . . . . . 82 ALA CB . 27413 1 83 . 1 1 20 20 ALA N N 15 121.119 0.01 . 1 . . . . . 82 ALA N . 27413 1 84 . 1 1 21 21 ARG H H 1 7.556 0.00 . 1 . . . . . 83 ARG H . 27413 1 85 . 1 1 21 21 ARG C C 13 179.575 0.00 . 1 . . . . . 83 ARG C . 27413 1 86 . 1 1 21 21 ARG CA C 13 59.438 0.01 . 1 . . . . . 83 ARG CA . 27413 1 87 . 1 1 21 21 ARG CB C 13 28.938 0.00 . 1 . . . . . 83 ARG CB . 27413 1 88 . 1 1 21 21 ARG N N 15 117.701 0.02 . 1 . . . . . 83 ARG N . 27413 1 89 . 1 1 22 22 LYS H H 1 7.391 0.00 . 1 . . . . . 84 LYS H . 27413 1 90 . 1 1 22 22 LYS C C 13 180.070 0.00 . 1 . . . . . 84 LYS C . 27413 1 91 . 1 1 22 22 LYS CA C 13 59.159 0.03 . 1 . . . . . 84 LYS CA . 27413 1 92 . 1 1 22 22 LYS CB C 13 29.855 0.00 . 1 . . . . . 84 LYS CB . 27413 1 93 . 1 1 22 22 LYS N N 15 120.890 0.02 . 1 . . . . . 84 LYS N . 27413 1 94 . 1 1 23 23 VAL H H 1 8.028 0.00 . 1 . . . . . 85 VAL H . 27413 1 95 . 1 1 23 23 VAL C C 13 177.744 0.00 . 1 . . . . . 85 VAL C . 27413 1 96 . 1 1 23 23 VAL CA C 13 66.600 0.01 . 1 . . . . . 85 VAL CA . 27413 1 97 . 1 1 23 23 VAL CB C 13 30.326 0.04 . 1 . . . . . 85 VAL CB . 27413 1 98 . 1 1 23 23 VAL N N 15 120.826 0.00 . 1 . . . . . 85 VAL N . 27413 1 99 . 1 1 24 24 LYS H H 1 8.020 0.00 . 1 . . . . . 86 LYS H . 27413 1 100 . 1 1 24 24 LYS C C 13 178.757 0.00 . 1 . . . . . 86 LYS C . 27413 1 101 . 1 1 24 24 LYS CA C 13 59.395 0.01 . 1 . . . . . 86 LYS CA . 27413 1 102 . 1 1 24 24 LYS CB C 13 31.118 0.07 . 1 . . . . . 86 LYS CB . 27413 1 103 . 1 1 24 24 LYS N N 15 117.398 0.02 . 1 . . . . . 86 LYS N . 27413 1 104 . 1 1 25 25 SER H H 1 7.327 0.00 . 1 . . . . . 87 SER H . 27413 1 105 . 1 1 25 25 SER C C 13 174.809 0.00 . 1 . . . . . 87 SER C . 27413 1 106 . 1 1 25 25 SER CA C 13 60.639 0.01 . 1 . . . . . 87 SER CA . 27413 1 107 . 1 1 25 25 SER CB C 13 62.754 0.01 . 1 . . . . . 87 SER CB . 27413 1 108 . 1 1 25 25 SER N N 15 113.344 0.01 . 1 . . . . . 87 SER N . 27413 1 109 . 1 1 26 26 GLY H H 1 7.759 0.00 . 1 . . . . . 88 GLY H . 27413 1 110 . 1 1 26 26 GLY C C 13 171.979 0.00 . 1 . . . . . 88 GLY C . 27413 1 111 . 1 1 26 26 GLY CA C 13 44.644 0.07 . 1 . . . . . 88 GLY CA . 27413 1 112 . 1 1 26 26 GLY N N 15 110.754 0.01 . 1 . . . . . 88 GLY N . 27413 1 113 . 1 1 27 27 ILE H H 1 7.063 0.00 . 1 . . . . . 89 ILE H . 27413 1 114 . 1 1 27 27 ILE C C 13 176.068 0.00 . 1 . . . . . 89 ILE C . 27413 1 115 . 1 1 27 27 ILE CA C 13 59.725 0.00 . 1 . . . . . 89 ILE CA . 27413 1 116 . 1 1 27 27 ILE CB C 13 40.016 0.00 . 1 . . . . . 89 ILE CB . 27413 1 117 . 1 1 27 27 ILE N N 15 118.977 0.01 . 1 . . . . . 89 ILE N . 27413 1 118 . 1 1 28 28 ARG H H 1 8.295 0.00 . 1 . . . . . 90 ARG H . 27413 1 119 . 1 1 28 28 ARG C C 13 176.387 0.00 . 1 . . . . . 90 ARG C . 27413 1 120 . 1 1 28 28 ARG CA C 13 54.049 0.33 . 1 . . . . . 90 ARG CA . 27413 1 121 . 1 1 28 28 ARG CB C 13 32.038 0.42 . 1 . . . . . 90 ARG CB . 27413 1 122 . 1 1 28 28 ARG N N 15 126.778 0.01 . 1 . . . . . 90 ARG N . 27413 1 123 . 1 1 29 29 GLN H H 1 7.951 0.01 . 1 . . . . . 91 GLN H . 27413 1 124 . 1 1 29 29 GLN C C 13 175.162 0.00 . 1 . . . . . 91 GLN C . 27413 1 125 . 1 1 29 29 GLN CA C 13 55.464 1.38 . 1 . . . . . 91 GLN CA . 27413 1 126 . 1 1 29 29 GLN CB C 13 37.974 4.69 . 1 . . . . . 91 GLN CB . 27413 1 127 . 1 1 29 29 GLN N N 15 128.741 0.01 . 1 . . . . . 91 GLN N . 27413 1 128 . 1 1 30 30 MET H H 1 8.619 0.00 . 1 . . . . . 92 MET H . 27413 1 129 . 1 1 30 30 MET C C 13 176.386 0.00 . 1 . . . . . 92 MET C . 27413 1 130 . 1 1 30 30 MET CA C 13 54.263 0.09 . 1 . . . . . 92 MET CA . 27413 1 131 . 1 1 30 30 MET CB C 13 35.377 0.00 . 1 . . . . . 92 MET CB . 27413 1 132 . 1 1 30 30 MET N N 15 120.761 0.02 . 1 . . . . . 92 MET N . 27413 1 133 . 1 1 31 31 ARG H H 1 8.260 0.01 . 1 . . . . . 93 ARG H . 27413 1 134 . 1 1 31 31 ARG C C 13 175.904 0.00 . 1 . . . . . 93 ARG C . 27413 1 135 . 1 1 31 31 ARG CA C 13 56.466 0.04 . 1 . . . . . 93 ARG CA . 27413 1 136 . 1 1 31 31 ARG CB C 13 27.298 0.00 . 1 . . . . . 93 ARG CB . 27413 1 137 . 1 1 31 31 ARG N N 15 121.999 0.02 . 1 . . . . . 93 ARG N . 27413 1 138 . 1 1 32 32 LEU H H 1 7.695 0.01 . 1 . . . . . 94 LEU H . 27413 1 139 . 1 1 32 32 LEU C C 13 177.385 0.00 . 1 . . . . . 94 LEU C . 27413 1 140 . 1 1 32 32 LEU CA C 13 54.112 0.26 . 1 . . . . . 94 LEU CA . 27413 1 141 . 1 1 32 32 LEU CB C 13 41.635 0.92 . 1 . . . . . 94 LEU CB . 27413 1 142 . 1 1 32 32 LEU N N 15 117.800 0.02 . 1 . . . . . 94 LEU N . 27413 1 143 . 1 1 33 33 PHE H H 1 7.623 0.00 . 1 . . . . . 95 PHE H . 27413 1 144 . 1 1 33 33 PHE CA C 13 57.240 0.00 . 1 . . . . . 95 PHE CA . 27413 1 145 . 1 1 33 33 PHE N N 15 118.841 0.02 . 1 . . . . . 95 PHE N . 27413 1 146 . 1 1 35 35 GLN C C 13 178.108 0.00 . 1 . . . . . 97 GLN C . 27413 1 147 . 1 1 35 35 GLN CA C 13 60.434 0.00 . 1 . . . . . 97 GLN CA . 27413 1 148 . 1 1 35 35 GLN CB C 13 26.981 0.00 . 1 . . . . . 97 GLN CB . 27413 1 149 . 1 1 36 36 ASP H H 1 8.362 0.00 . 1 . . . . . 98 ASP H . 27413 1 150 . 1 1 36 36 ASP C C 13 179.245 0.00 . 1 . . . . . 98 ASP C . 27413 1 151 . 1 1 36 36 ASP CA C 13 56.847 0.01 . 1 . . . . . 98 ASP CA . 27413 1 152 . 1 1 36 36 ASP CB C 13 40.126 0.06 . 1 . . . . . 98 ASP CB . 27413 1 153 . 1 1 36 36 ASP N N 15 118.800 0.02 . 1 . . . . . 98 ASP N . 27413 1 154 . 1 1 37 37 GLU H H 1 7.722 0.00 . 1 . . . . . 99 GLU H . 27413 1 155 . 1 1 37 37 GLU C C 13 180.872 0.00 . 1 . . . . . 99 GLU C . 27413 1 156 . 1 1 37 37 GLU CA C 13 58.805 0.00 . 1 . . . . . 99 GLU CA . 27413 1 157 . 1 1 37 37 GLU CB C 13 29.320 0.01 . 1 . . . . . 99 GLU CB . 27413 1 158 . 1 1 37 37 GLU N N 15 120.780 0.02 . 1 . . . . . 99 GLU N . 27413 1 159 . 1 1 38 38 CYS H H 1 8.894 0.00 . 1 . . . . . 100 CYS H . 27413 1 160 . 1 1 38 38 CYS C C 13 175.621 0.00 . 1 . . . . . 100 CYS C . 27413 1 161 . 1 1 38 38 CYS CA C 13 64.099 0.00 . 1 . . . . . 100 CYS CA . 27413 1 162 . 1 1 38 38 CYS CB C 13 25.370 0.02 . 1 . . . . . 100 CYS CB . 27413 1 163 . 1 1 38 38 CYS N N 15 118.055 0.01 . 1 . . . . . 100 CYS N . 27413 1 164 . 1 1 39 39 ALA H H 1 7.950 0.00 . 1 . . . . . 101 ALA H . 27413 1 165 . 1 1 39 39 ALA C C 13 180.700 0.00 . 1 . . . . . 101 ALA C . 27413 1 166 . 1 1 39 39 ALA CA C 13 54.617 0.01 . 1 . . . . . 101 ALA CA . 27413 1 167 . 1 1 39 39 ALA CB C 13 16.696 0.00 . 1 . . . . . 101 ALA CB . 27413 1 168 . 1 1 39 39 ALA N N 15 121.670 0.01 . 1 . . . . . 101 ALA N . 27413 1 169 . 1 1 40 40 LYS H H 1 7.226 0.00 . 1 . . . . . 102 LYS H . 27413 1 170 . 1 1 40 40 LYS C C 13 178.838 0.00 . 1 . . . . . 102 LYS C . 27413 1 171 . 1 1 40 40 LYS CA C 13 58.655 0.00 . 1 . . . . . 102 LYS CA . 27413 1 172 . 1 1 40 40 LYS CB C 13 31.098 0.00 . 1 . . . . . 102 LYS CB . 27413 1 173 . 1 1 40 40 LYS N N 15 118.852 0.00 . 1 . . . . . 102 LYS N . 27413 1 174 . 1 1 41 41 ILE H H 1 7.369 0.00 . 1 . . . . . 103 ILE H . 27413 1 175 . 1 1 41 41 ILE C C 13 177.294 0.00 . 1 . . . . . 103 ILE C . 27413 1 176 . 1 1 41 41 ILE CA C 13 64.733 0.00 . 1 . . . . . 103 ILE CA . 27413 1 177 . 1 1 41 41 ILE CB C 13 37.015 0.02 . 1 . . . . . 103 ILE CB . 27413 1 178 . 1 1 41 41 ILE N N 15 121.675 0.01 . 1 . . . . . 103 ILE N . 27413 1 179 . 1 1 42 42 GLU H H 1 8.612 0.00 . 1 . . . . . 104 GLU H . 27413 1 180 . 1 1 42 42 GLU C C 13 177.633 0.00 . 1 . . . . . 104 GLU C . 27413 1 181 . 1 1 42 42 GLU CA C 13 58.486 0.06 . 1 . . . . . 104 GLU CA . 27413 1 182 . 1 1 42 42 GLU CB C 13 27.271 0.05 . 1 . . . . . 104 GLU CB . 27413 1 183 . 1 1 42 42 GLU N N 15 120.885 0.03 . 1 . . . . . 104 GLU N . 27413 1 184 . 1 1 43 43 ALA H H 1 7.091 0.00 . 1 . . . . . 105 ALA H . 27413 1 185 . 1 1 43 43 ALA C C 13 181.087 0.00 . 1 . . . . . 105 ALA C . 27413 1 186 . 1 1 43 43 ALA CA C 13 54.318 0.00 . 1 . . . . . 105 ALA CA . 27413 1 187 . 1 1 43 43 ALA CB C 13 16.534 0.04 . 1 . . . . . 105 ALA CB . 27413 1 188 . 1 1 43 43 ALA N N 15 119.696 0.02 . 1 . . . . . 105 ALA N . 27413 1 189 . 1 1 44 44 ARG H H 1 6.753 0.00 . 1 . . . . . 106 ARG H . 27413 1 190 . 1 1 44 44 ARG C C 13 178.796 0.00 . 1 . . . . . 106 ARG C . 27413 1 191 . 1 1 44 44 ARG CA C 13 56.100 0.01 . 1 . . . . . 106 ARG CA . 27413 1 192 . 1 1 44 44 ARG CB C 13 24.915 0.00 . 1 . . . . . 106 ARG CB . 27413 1 193 . 1 1 44 44 ARG N N 15 118.332 0.01 . 1 . . . . . 106 ARG N . 27413 1 194 . 1 1 45 45 ILE H H 1 7.979 0.00 . 1 . . . . . 107 ILE H . 27413 1 195 . 1 1 45 45 ILE C C 13 177.694 0.00 . 1 . . . . . 107 ILE C . 27413 1 196 . 1 1 45 45 ILE CA C 13 66.237 0.06 . 1 . . . . . 107 ILE CA . 27413 1 197 . 1 1 45 45 ILE CB C 13 38.462 2.28 . 1 . . . . . 107 ILE CB . 27413 1 198 . 1 1 45 45 ILE N N 15 122.115 0.02 . 1 . . . . . 107 ILE N . 27413 1 199 . 1 1 46 46 ASP H H 1 7.968 0.00 . 1 . . . . . 108 ASP H . 27413 1 200 . 1 1 46 46 ASP C C 13 179.148 0.00 . 1 . . . . . 108 ASP C . 27413 1 201 . 1 1 46 46 ASP CA C 13 57.409 0.01 . 1 . . . . . 108 ASP CA . 27413 1 202 . 1 1 46 46 ASP CB C 13 38.941 0.01 . 1 . . . . . 108 ASP CB . 27413 1 203 . 1 1 46 46 ASP N N 15 119.438 0.01 . 1 . . . . . 108 ASP N . 27413 1 204 . 1 1 47 47 GLU H H 1 7.350 0.00 . 1 . . . . . 109 GLU H . 27413 1 205 . 1 1 47 47 GLU C C 13 178.741 0.00 . 1 . . . . . 109 GLU C . 27413 1 206 . 1 1 47 47 GLU CA C 13 58.883 0.00 . 1 . . . . . 109 GLU CA . 27413 1 207 . 1 1 47 47 GLU CB C 13 28.245 0.00 . 1 . . . . . 109 GLU CB . 27413 1 208 . 1 1 47 47 GLU N N 15 123.143 0.00 . 1 . . . . . 109 GLU N . 27413 1 209 . 1 1 48 48 VAL H H 1 7.673 0.00 . 1 . . . . . 110 VAL H . 27413 1 210 . 1 1 48 48 VAL C C 13 177.757 0.00 . 1 . . . . . 110 VAL C . 27413 1 211 . 1 1 48 48 VAL CA C 13 65.421 0.00 . 1 . . . . . 110 VAL CA . 27413 1 212 . 1 1 48 48 VAL CB C 13 30.531 0.01 . 1 . . . . . 110 VAL CB . 27413 1 213 . 1 1 48 48 VAL N N 15 124.280 0.00 . 1 . . . . . 110 VAL N . 27413 1 214 . 1 1 49 49 VAL H H 1 7.884 0.00 . 1 . . . . . 111 VAL H . 27413 1 215 . 1 1 49 49 VAL C C 13 179.448 0.00 . 1 . . . . . 111 VAL C . 27413 1 216 . 1 1 49 49 VAL CA C 13 66.091 0.00 . 1 . . . . . 111 VAL CA . 27413 1 217 . 1 1 49 49 VAL CB C 13 30.858 0.05 . 1 . . . . . 111 VAL CB . 27413 1 218 . 1 1 49 49 VAL N N 15 119.558 0.01 . 1 . . . . . 111 VAL N . 27413 1 219 . 1 1 50 50 SER H H 1 7.887 0.00 . 1 . . . . . 112 SER H . 27413 1 220 . 1 1 50 50 SER C C 13 177.124 0.00 . 1 . . . . . 112 SER C . 27413 1 221 . 1 1 50 50 SER CA C 13 60.739 0.00 . 1 . . . . . 112 SER CA . 27413 1 222 . 1 1 50 50 SER CB C 13 62.398 0.01 . 1 . . . . . 112 SER CB . 27413 1 223 . 1 1 50 50 SER N N 15 114.449 0.01 . 1 . . . . . 112 SER N . 27413 1 224 . 1 1 51 51 ARG H H 1 8.391 0.00 . 1 . . . . . 113 ARG H . 27413 1 225 . 1 1 51 51 ARG C C 13 178.620 0.00 . 1 . . . . . 113 ARG C . 27413 1 226 . 1 1 51 51 ARG CA C 13 59.801 0.05 . 1 . . . . . 113 ARG CA . 27413 1 227 . 1 1 51 51 ARG CB C 13 28.656 0.00 . 1 . . . . . 113 ARG CB . 27413 1 228 . 1 1 51 51 ARG N N 15 123.102 0.01 . 1 . . . . . 113 ARG N . 27413 1 229 . 1 1 52 52 ALA H H 1 8.599 0.00 . 1 . . . . . 114 ALA H . 27413 1 230 . 1 1 52 52 ALA C C 13 170.792 0.00 . 1 . . . . . 114 ALA C . 27413 1 231 . 1 1 52 52 ALA CA C 13 53.686 0.00 . 1 . . . . . 114 ALA CA . 27413 1 232 . 1 1 52 52 ALA CB C 13 19.019 0.02 . 1 . . . . . 114 ALA CB . 27413 1 233 . 1 1 52 52 ALA N N 15 121.223 0.00 . 1 . . . . . 114 ALA N . 27413 1 234 . 1 1 53 53 GLU H H 1 8.091 0.00 . 1 . . . . . 115 GLU H . 27413 1 235 . 1 1 53 53 GLU C C 13 178.257 0.00 . 1 . . . . . 115 GLU C . 27413 1 236 . 1 1 53 53 GLU CA C 13 58.210 0.08 . 1 . . . . . 115 GLU CA . 27413 1 237 . 1 1 53 53 GLU CB C 13 28.494 0.14 . 1 . . . . . 115 GLU CB . 27413 1 238 . 1 1 53 53 GLU N N 15 121.138 0.04 . 1 . . . . . 115 GLU N . 27413 1 239 . 1 1 54 54 LYS H H 1 7.383 0.00 . 1 . . . . . 116 LYS H . 27413 1 240 . 1 1 54 54 LYS C C 13 176.716 0.00 . 1 . . . . . 116 LYS C . 27413 1 241 . 1 1 54 54 LYS CA C 13 56.022 0.00 . 1 . . . . . 116 LYS CA . 27413 1 242 . 1 1 54 54 LYS CB C 13 32.180 0.01 . 1 . . . . . 116 LYS CB . 27413 1 243 . 1 1 54 54 LYS N N 15 117.706 0.02 . 1 . . . . . 116 LYS N . 27413 1 244 . 1 1 55 55 GLY H H 1 7.722 0.00 . 1 . . . . . 117 GLY H . 27413 1 245 . 1 1 55 55 GLY C C 13 175.946 0.00 . 1 . . . . . 117 GLY C . 27413 1 246 . 1 1 55 55 GLY CA C 13 46.086 0.10 . 1 . . . . . 117 GLY CA . 27413 1 247 . 1 1 55 55 GLY N N 15 108.006 0.01 . 1 . . . . . 117 GLY N . 27413 1 248 . 1 1 56 56 LEU H H 1 7.030 0.00 . 1 . . . . . 118 LEU H . 27413 1 249 . 1 1 56 56 LEU C C 13 176.961 0.00 . 1 . . . . . 118 LEU C . 27413 1 250 . 1 1 56 56 LEU CA C 13 54.612 0.00 . 1 . . . . . 118 LEU CA . 27413 1 251 . 1 1 56 56 LEU CB C 13 40.449 0.00 . 1 . . . . . 118 LEU CB . 27413 1 252 . 1 1 56 56 LEU N N 15 116.854 0.01 . 1 . . . . . 118 LEU N . 27413 1 253 . 1 1 57 57 TYR H H 1 7.981 0.00 . 1 . . . . . 119 TYR H . 27413 1 254 . 1 1 57 57 TYR C C 13 175.990 0.00 . 1 . . . . . 119 TYR C . 27413 1 255 . 1 1 57 57 TYR CA C 13 55.912 0.01 . 1 . . . . . 119 TYR CA . 27413 1 256 . 1 1 57 57 TYR CB C 13 39.794 0.01 . 1 . . . . . 119 TYR CB . 27413 1 257 . 1 1 57 57 TYR N N 15 118.968 0.00 . 1 . . . . . 119 TYR N . 27413 1 258 . 1 1 58 58 ASN H H 1 9.760 0.00 . 1 . . . . . 120 ASN H . 27413 1 259 . 1 1 58 58 ASN C C 13 177.190 0.00 . 1 . . . . . 120 ASN C . 27413 1 260 . 1 1 58 58 ASN CA C 13 52.805 0.00 . 1 . . . . . 120 ASN CA . 27413 1 261 . 1 1 58 58 ASN CB C 13 37.139 0.00 . 1 . . . . . 120 ASN CB . 27413 1 262 . 1 1 58 58 ASN N N 15 121.184 0.02 . 1 . . . . . 120 ASN N . 27413 1 263 . 1 1 59 59 GLU H H 1 8.593 0.00 . 1 . . . . . 121 GLU H . 27413 1 264 . 1 1 59 59 GLU CA C 13 59.346 0.00 . 1 . . . . . 121 GLU CA . 27413 1 265 . 1 1 59 59 GLU CB C 13 28.616 0.00 . 1 . . . . . 121 GLU CB . 27413 1 266 . 1 1 59 59 GLU N N 15 122.777 0.02 . 1 . . . . . 121 GLU N . 27413 1 267 . 1 1 60 60 HIS C C 13 174.603 0.00 . 1 . . . . . 122 HIS C . 27413 1 268 . 1 1 60 60 HIS CA C 13 55.288 0.00 . 1 . . . . . 122 HIS CA . 27413 1 269 . 1 1 60 60 HIS CB C 13 27.020 0.00 . 1 . . . . . 122 HIS CB . 27413 1 270 . 1 1 61 61 THR H H 1 7.408 0.00 . 1 . . . . . 123 THR H . 27413 1 271 . 1 1 61 61 THR C C 13 172.675 0.00 . 1 . . . . . 123 THR C . 27413 1 272 . 1 1 61 61 THR CA C 13 64.415 0.00 . 1 . . . . . 123 THR CA . 27413 1 273 . 1 1 61 61 THR CB C 13 69.173 0.01 . 1 . . . . . 123 THR CB . 27413 1 274 . 1 1 61 61 THR N N 15 117.541 0.02 . 1 . . . . . 123 THR N . 27413 1 275 . 1 1 62 62 VAL H H 1 6.808 0.00 . 1 . . . . . 124 VAL H . 27413 1 276 . 1 1 62 62 VAL C C 13 174.612 0.00 . 1 . . . . . 124 VAL C . 27413 1 277 . 1 1 62 62 VAL CA C 13 60.829 0.01 . 1 . . . . . 124 VAL CA . 27413 1 278 . 1 1 62 62 VAL CB C 13 33.130 0.03 . 1 . . . . . 124 VAL CB . 27413 1 279 . 1 1 62 62 VAL N N 15 116.625 0.00 . 1 . . . . . 124 VAL N . 27413 1 280 . 1 1 63 63 ASP H H 1 8.926 0.00 . 1 . . . . . 125 ASP H . 27413 1 281 . 1 1 63 63 ASP C C 13 176.103 0.00 . 1 . . . . . 125 ASP C . 27413 1 282 . 1 1 63 63 ASP CA C 13 53.338 0.61 . 1 . . . . . 125 ASP CA . 27413 1 283 . 1 1 63 63 ASP CB C 13 41.961 1.60 . 1 . . . . . 125 ASP CB . 27413 1 284 . 1 1 63 63 ASP N N 15 129.322 0.01 . 1 . . . . . 125 ASP N . 27413 1 285 . 1 1 64 64 ARG H H 1 8.112 0.00 . 1 . . . . . 126 ARG H . 27413 1 286 . 1 1 64 64 ARG C C 13 175.144 0.00 . 1 . . . . . 126 ARG C . 27413 1 287 . 1 1 64 64 ARG CA C 13 55.840 0.47 . 1 . . . . . 126 ARG CA . 27413 1 288 . 1 1 64 64 ARG CB C 13 29.996 0.59 . 1 . . . . . 126 ARG CB . 27413 1 289 . 1 1 64 64 ARG N N 15 122.092 0.02 . 1 . . . . . 126 ARG N . 27413 1 290 . 1 1 65 65 ALA H H 1 8.196 0.00 . 1 . . . . . 127 ALA H . 27413 1 291 . 1 1 65 65 ALA CA C 13 49.931 0.00 . 1 . . . . . 127 ALA CA . 27413 1 292 . 1 1 65 65 ALA CB C 13 18.867 0.00 . 1 . . . . . 127 ALA CB . 27413 1 293 . 1 1 65 65 ALA N N 15 127.878 0.01 . 1 . . . . . 127 ALA N . 27413 1 294 . 1 1 66 66 PRO C C 13 177.481 0.00 . 1 . . . . . 128 PRO C . 27413 1 295 . 1 1 66 66 PRO CA C 13 64.366 0.00 . 1 . . . . . 128 PRO CA . 27413 1 296 . 1 1 66 66 PRO CB C 13 31.194 0.00 . 1 . . . . . 128 PRO CB . 27413 1 297 . 1 1 67 67 LEU H H 1 8.228 0.00 . 1 . . . . . 129 LEU H . 27413 1 298 . 1 1 67 67 LEU C C 13 174.846 0.00 . 1 . . . . . 129 LEU C . 27413 1 299 . 1 1 67 67 LEU CA C 13 52.638 0.09 . 1 . . . . . 129 LEU CA . 27413 1 300 . 1 1 67 67 LEU CB C 13 43.548 0.00 . 1 . . . . . 129 LEU CB . 27413 1 301 . 1 1 67 67 LEU N N 15 119.041 0.00 . 1 . . . . . 129 LEU N . 27413 1 302 . 1 1 68 68 ARG H H 1 8.346 0.00 . 1 . . . . . 130 ARG H . 27413 1 303 . 1 1 68 68 ARG C C 13 173.560 0.00 . 1 . . . . . 130 ARG C . 27413 1 304 . 1 1 68 68 ARG CA C 13 55.338 0.03 . 1 . . . . . 130 ARG CA . 27413 1 305 . 1 1 68 68 ARG CB C 13 30.666 0.08 . 1 . . . . . 130 ARG CB . 27413 1 306 . 1 1 68 68 ARG N N 15 125.545 0.00 . 1 . . . . . 130 ARG N . 27413 1 307 . 1 1 69 69 ASN H H 1 8.313 0.01 . 1 . . . . . 131 ASN H . 27413 1 308 . 1 1 69 69 ASN C C 13 172.925 0.00 . 1 . . . . . 131 ASN C . 27413 1 309 . 1 1 69 69 ASN CA C 13 51.029 0.04 . 1 . . . . . 131 ASN CA . 27413 1 310 . 1 1 69 69 ASN CB C 13 41.187 0.00 . 1 . . . . . 131 ASN CB . 27413 1 311 . 1 1 69 69 ASN N N 15 123.876 0.03 . 1 . . . . . 131 ASN N . 27413 1 312 . 1 1 70 70 LYS H H 1 8.376 0.00 . 1 . . . . . 132 LYS H . 27413 1 313 . 1 1 70 70 LYS C C 13 173.137 0.00 . 1 . . . . . 132 LYS C . 27413 1 314 . 1 1 70 70 LYS CA C 13 53.873 0.01 . 1 . . . . . 132 LYS CA . 27413 1 315 . 1 1 70 70 LYS CB C 13 35.242 0.01 . 1 . . . . . 132 LYS CB . 27413 1 316 . 1 1 70 70 LYS N N 15 122.357 0.01 . 1 . . . . . 132 LYS N . 27413 1 317 . 1 1 71 71 TYR H H 1 8.418 0.00 . 1 . . . . . 133 TYR H . 27413 1 318 . 1 1 71 71 TYR C C 13 174.107 0.00 . 1 . . . . . 133 TYR C . 27413 1 319 . 1 1 71 71 TYR CA C 13 54.508 0.00 . 1 . . . . . 133 TYR CA . 27413 1 320 . 1 1 71 71 TYR CB C 13 38.945 0.05 . 1 . . . . . 133 TYR CB . 27413 1 321 . 1 1 71 71 TYR N N 15 121.620 0.01 . 1 . . . . . 133 TYR N . 27413 1 322 . 1 1 72 72 PHE H H 1 9.563 0.01 . 1 . . . . . 134 PHE H . 27413 1 323 . 1 1 72 72 PHE C C 13 172.454 0.00 . 1 . . . . . 134 PHE C . 27413 1 324 . 1 1 72 72 PHE CA C 13 57.090 0.01 . 1 . . . . . 134 PHE CA . 27413 1 325 . 1 1 72 72 PHE CB C 13 41.196 0.05 . 1 . . . . . 134 PHE CB . 27413 1 326 . 1 1 72 72 PHE N N 15 123.364 0.02 . 1 . . . . . 134 PHE N . 27413 1 327 . 1 1 73 73 PHE H H 1 8.325 0.00 . 1 . . . . . 135 PHE H . 27413 1 328 . 1 1 73 73 PHE CA C 13 54.789 0.00 . 1 . . . . . 135 PHE CA . 27413 1 329 . 1 1 73 73 PHE CB C 13 41.436 0.00 . 1 . . . . . 135 PHE CB . 27413 1 330 . 1 1 73 73 PHE N N 15 113.091 0.02 . 1 . . . . . 135 PHE N . 27413 1 331 . 1 1 74 74 GLY C C 13 174.646 0.00 . 1 . . . . . 136 GLY C . 27413 1 332 . 1 1 74 74 GLY CA C 13 44.777 0.00 . 1 . . . . . 136 GLY CA . 27413 1 333 . 1 1 75 75 GLU H H 1 8.093 0.00 . 1 . . . . . 137 GLU H . 27413 1 334 . 1 1 75 75 GLU C C 13 176.008 0.00 . 1 . . . . . 137 GLU C . 27413 1 335 . 1 1 75 75 GLU CA C 13 55.212 0.01 . 1 . . . . . 137 GLU CA . 27413 1 336 . 1 1 75 75 GLU CB C 13 28.371 0.00 . 1 . . . . . 137 GLU CB . 27413 1 337 . 1 1 75 75 GLU N N 15 118.500 0.01 . 1 . . . . . 137 GLU N . 27413 1 338 . 1 1 76 76 GLY H H 1 7.747 0.01 . 1 . . . . . 138 GLY H . 27413 1 339 . 1 1 76 76 GLY CA C 13 43.889 0.00 . 1 . . . . . 138 GLY CA . 27413 1 340 . 1 1 76 76 GLY N N 15 110.115 0.02 . 1 . . . . . 138 GLY N . 27413 1 341 . 1 1 78 78 THR C C 13 172.774 0.00 . 1 . . . . . 140 THR C . 27413 1 342 . 1 1 78 78 THR CA C 13 60.870 0.00 . 1 . . . . . 140 THR CA . 27413 1 343 . 1 1 78 78 THR CB C 13 69.437 0.00 . 1 . . . . . 140 THR CB . 27413 1 344 . 1 1 79 79 TYR H H 1 7.503 0.00 . 1 . . . . . 141 TYR H . 27413 1 345 . 1 1 79 79 TYR C C 13 175.967 0.00 . 1 . . . . . 141 TYR C . 27413 1 346 . 1 1 79 79 TYR CA C 13 58.133 0.68 . 1 . . . . . 141 TYR CA . 27413 1 347 . 1 1 79 79 TYR CB C 13 38.316 0.00 . 1 . . . . . 141 TYR CB . 27413 1 348 . 1 1 79 79 TYR N N 15 127.696 0.05 . 1 . . . . . 141 TYR N . 27413 1 349 . 1 1 80 80 GLY H H 1 8.357 0.01 . 1 . . . . . 142 GLY H . 27413 1 350 . 1 1 80 80 GLY C C 13 173.781 0.00 . 1 . . . . . 142 GLY C . 27413 1 351 . 1 1 80 80 GLY CA C 13 44.655 0.10 . 1 . . . . . 142 GLY CA . 27413 1 352 . 1 1 80 80 GLY N N 15 109.398 0.00 . 1 . . . . . 142 GLY N . 27413 1 353 . 1 1 81 81 ALA H H 1 8.104 0.00 . 1 . . . . . 143 ALA H . 27413 1 354 . 1 1 81 81 ALA N N 15 121.306 0.02 . 1 . . . . . 143 ALA N . 27413 1 355 . 1 1 82 82 GLN C C 13 178.030 0.00 . 1 . . . . . 144 GLN C . 27413 1 356 . 1 1 82 82 GLN CA C 13 57.441 0.00 . 1 . . . . . 144 GLN CA . 27413 1 357 . 1 1 82 82 GLN CB C 13 27.265 0.00 . 1 . . . . . 144 GLN CB . 27413 1 358 . 1 1 83 83 LEU H H 1 7.895 0.00 . 1 . . . . . 145 LEU H . 27413 1 359 . 1 1 83 83 LEU C C 13 174.747 0.00 . 1 . . . . . 145 LEU C . 27413 1 360 . 1 1 83 83 LEU CA C 13 56.035 1.05 . 1 . . . . . 145 LEU CA . 27413 1 361 . 1 1 83 83 LEU CB C 13 41.706 1.13 . 1 . . . . . 145 LEU CB . 27413 1 362 . 1 1 83 83 LEU N N 15 121.701 0.02 . 1 . . . . . 145 LEU N . 27413 1 363 . 1 1 84 84 GLN H H 1 8.629 0.00 . 1 . . . . . 146 GLN H . 27413 1 364 . 1 1 84 84 GLN C C 13 177.504 0.00 . 1 . . . . . 146 GLN C . 27413 1 365 . 1 1 84 84 GLN CA C 13 56.118 0.86 . 1 . . . . . 146 GLN CA . 27413 1 366 . 1 1 84 84 GLN CB C 13 29.333 0.00 . 1 . . . . . 146 GLN CB . 27413 1 367 . 1 1 84 84 GLN N N 15 118.921 0.01 . 1 . . . . . 146 GLN N . 27413 1 368 . 1 1 85 85 LYS H H 1 7.782 0.00 . 1 . . . . . 147 LYS H . 27413 1 369 . 1 1 85 85 LYS C C 13 178.543 0.00 . 1 . . . . . 147 LYS C . 27413 1 370 . 1 1 85 85 LYS CA C 13 57.584 0.00 . 1 . . . . . 147 LYS CA . 27413 1 371 . 1 1 85 85 LYS CB C 13 31.547 0.10 . 1 . . . . . 147 LYS CB . 27413 1 372 . 1 1 85 85 LYS N N 15 121.345 0.04 . 1 . . . . . 147 LYS N . 27413 1 373 . 1 1 86 86 ARG H H 1 8.144 0.00 . 1 . . . . . 148 ARG H . 27413 1 374 . 1 1 86 86 ARG C C 13 177.119 0.00 . 1 . . . . . 148 ARG C . 27413 1 375 . 1 1 86 86 ARG CA C 13 56.303 0.00 . 1 . . . . . 148 ARG CA . 27413 1 376 . 1 1 86 86 ARG N N 15 121.837 0.04 . 1 . . . . . 148 ARG N . 27413 1 377 . 1 1 87 87 GLY H H 1 8.455 0.01 . 1 . . . . . 149 GLY H . 27413 1 378 . 1 1 87 87 GLY N N 15 110.627 0.01 . 1 . . . . . 149 GLY N . 27413 1 379 . 1 1 88 88 PRO C C 13 177.551 0.00 . 1 . . . . . 150 PRO C . 27413 1 380 . 1 1 88 88 PRO CA C 13 63.475 0.00 . 1 . . . . . 150 PRO CA . 27413 1 381 . 1 1 89 89 GLY H H 1 8.254 0.00 . 1 . . . . . 151 GLY H . 27413 1 382 . 1 1 89 89 GLY CA C 13 44.225 0.00 . 1 . . . . . 151 GLY CA . 27413 1 383 . 1 1 89 89 GLY N N 15 112.910 0.01 . 1 . . . . . 151 GLY N . 27413 1 384 . 1 1 90 90 GLN C C 13 178.034 0.00 . 1 . . . . . 152 GLN C . 27413 1 385 . 1 1 90 90 GLN CA C 13 57.734 0.00 . 1 . . . . . 152 GLN CA . 27413 1 386 . 1 1 90 90 GLN CB C 13 28.685 0.00 . 1 . . . . . 152 GLN CB . 27413 1 387 . 1 1 91 91 GLU H H 1 8.164 0.00 . 1 . . . . . 153 GLU H . 27413 1 388 . 1 1 91 91 GLU C C 13 176.507 0.00 . 1 . . . . . 153 GLU C . 27413 1 389 . 1 1 91 91 GLU CA C 13 56.564 0.44 . 1 . . . . . 153 GLU CA . 27413 1 390 . 1 1 91 91 GLU CB C 13 28.517 0.67 . 1 . . . . . 153 GLU CB . 27413 1 391 . 1 1 91 91 GLU N N 15 120.386 0.07 . 1 . . . . . 153 GLU N . 27413 1 392 . 1 1 92 92 ARG H H 1 8.254 0.00 . 1 . . . . . 154 ARG H . 27413 1 393 . 1 1 92 92 ARG C C 13 175.463 0.00 . 1 . . . . . 154 ARG C . 27413 1 394 . 1 1 92 92 ARG CA C 13 55.395 0.07 . 1 . . . . . 154 ARG CA . 27413 1 395 . 1 1 92 92 ARG CB C 13 30.013 0.00 . 1 . . . . . 154 ARG CB . 27413 1 396 . 1 1 92 92 ARG N N 15 122.636 0.04 . 1 . . . . . 154 ARG N . 27413 1 397 . 1 1 93 93 LEU H H 1 8.012 0.00 . 1 . . . . . 155 LEU H . 27413 1 398 . 1 1 93 93 LEU C C 13 176.425 0.00 . 1 . . . . . 155 LEU C . 27413 1 399 . 1 1 93 93 LEU CA C 13 54.486 0.04 . 1 . . . . . 155 LEU CA . 27413 1 400 . 1 1 93 93 LEU CB C 13 41.466 0.00 . 1 . . . . . 155 LEU CB . 27413 1 401 . 1 1 93 93 LEU N N 15 123.741 0.03 . 1 . . . . . 155 LEU N . 27413 1 402 . 1 1 94 94 TYR H H 1 7.984 0.00 . 1 . . . . . 156 TYR H . 27413 1 403 . 1 1 94 94 TYR CA C 13 54.922 0.00 . 1 . . . . . 156 TYR CA . 27413 1 404 . 1 1 94 94 TYR CB C 13 37.326 0.00 . 1 . . . . . 156 TYR CB . 27413 1 405 . 1 1 94 94 TYR N N 15 121.439 0.03 . 1 . . . . . 156 TYR N . 27413 1 406 . 1 1 96 96 PRO C C 13 177.499 0.00 . 1 . . . . . 158 PRO C . 27413 1 407 . 1 1 96 96 PRO CA C 13 62.882 0.00 . 1 . . . . . 158 PRO CA . 27413 1 408 . 1 1 96 96 PRO CB C 13 31.194 0.00 . 1 . . . . . 158 PRO CB . 27413 1 409 . 1 1 97 97 GLY H H 1 8.275 0.01 . 1 . . . . . 159 GLY H . 27413 1 410 . 1 1 97 97 GLY C C 13 173.891 0.00 . 1 . . . . . 159 GLY C . 27413 1 411 . 1 1 97 97 GLY CA C 13 44.662 0.08 . 1 . . . . . 159 GLY CA . 27413 1 412 . 1 1 97 97 GLY N N 15 109.487 0.03 . 1 . . . . . 159 GLY N . 27413 1 413 . 1 1 98 98 ASP H H 1 7.857 0.00 . 1 . . . . . 160 ASP H . 27413 1 414 . 1 1 98 98 ASP C C 13 176.298 0.00 . 1 . . . . . 160 ASP C . 27413 1 415 . 1 1 98 98 ASP CA C 13 54.339 0.41 . 1 . . . . . 160 ASP CA . 27413 1 416 . 1 1 98 98 ASP CB C 13 40.637 0.00 . 1 . . . . . 160 ASP CB . 27413 1 417 . 1 1 98 98 ASP N N 15 122.006 0.01 . 1 . . . . . 160 ASP N . 27413 1 418 . 1 1 99 99 VAL H H 1 7.929 0.00 . 1 . . . . . 161 VAL H . 27413 1 419 . 1 1 99 99 VAL C C 13 175.733 0.00 . 1 . . . . . 161 VAL C . 27413 1 420 . 1 1 99 99 VAL CA C 13 61.564 0.00 . 1 . . . . . 161 VAL CA . 27413 1 421 . 1 1 99 99 VAL CB C 13 32.105 0.04 . 1 . . . . . 161 VAL CB . 27413 1 422 . 1 1 99 99 VAL N N 15 119.614 0.03 . 1 . . . . . 161 VAL N . 27413 1 423 . 1 1 100 100 ASP H H 1 8.218 0.00 . 1 . . . . . 162 ASP H . 27413 1 424 . 1 1 100 100 ASP C C 13 175.835 0.00 . 1 . . . . . 162 ASP C . 27413 1 425 . 1 1 100 100 ASP CA C 13 53.974 0.02 . 1 . . . . . 162 ASP CA . 27413 1 426 . 1 1 100 100 ASP CB C 13 40.452 0.09 . 1 . . . . . 162 ASP CB . 27413 1 427 . 1 1 100 100 ASP N N 15 124.036 0.02 . 1 . . . . . 162 ASP N . 27413 1 428 . 1 1 101 101 GLU H H 1 8.050 0.00 . 1 . . . . . 163 GLU H . 27413 1 429 . 1 1 101 101 GLU C C 13 176.565 0.00 . 1 . . . . . 163 GLU C . 27413 1 430 . 1 1 101 101 GLU CA C 13 55.717 0.00 . 1 . . . . . 163 GLU CA . 27413 1 431 . 1 1 101 101 GLU CB C 13 31.707 0.00 . 1 . . . . . 163 GLU CB . 27413 1 432 . 1 1 101 101 GLU N N 15 121.743 0.04 . 1 . . . . . 163 GLU N . 27413 1 433 . 1 1 102 102 ILE H H 1 8.040 0.01 . 1 . . . . . 164 ILE H . 27413 1 434 . 1 1 102 102 ILE CA C 13 58.210 2.42 . 1 . . . . . 164 ILE CA . 27413 1 435 . 1 1 102 102 ILE CB C 13 37.592 0.00 . 1 . . . . . 164 ILE CB . 27413 1 436 . 1 1 102 102 ILE N N 15 123.475 0.04 . 1 . . . . . 164 ILE N . 27413 1 437 . 1 1 103 103 PRO C C 13 177.329 0.00 . 1 . . . . . 165 PRO C . 27413 1 438 . 1 1 103 103 PRO CA C 13 61.843 0.00 . 1 . . . . . 165 PRO CA . 27413 1 439 . 1 1 103 103 PRO CB C 13 31.965 0.00 . 1 . . . . . 165 PRO CB . 27413 1 440 . 1 1 104 104 GLU H H 1 8.818 0.01 . 1 . . . . . 166 GLU H . 27413 1 441 . 1 1 104 104 GLU C C 13 178.717 0.00 . 1 . . . . . 166 GLU C . 27413 1 442 . 1 1 104 104 GLU CA C 13 59.564 0.01 . 1 . . . . . 166 GLU CA . 27413 1 443 . 1 1 104 104 GLU CB C 13 28.154 0.13 . 1 . . . . . 166 GLU CB . 27413 1 444 . 1 1 104 104 GLU N N 15 125.400 0.02 . 1 . . . . . 166 GLU N . 27413 1 445 . 1 1 105 105 TRP H H 1 7.933 0.01 . 1 . . . . . 167 TRP H . 27413 1 446 . 1 1 105 105 TRP C C 13 178.554 0.00 . 1 . . . . . 167 TRP C . 27413 1 447 . 1 1 105 105 TRP CA C 13 58.638 0.00 . 1 . . . . . 167 TRP CA . 27413 1 448 . 1 1 105 105 TRP CB C 13 26.907 0.01 . 1 . . . . . 167 TRP CB . 27413 1 449 . 1 1 105 105 TRP N N 15 114.978 0.01 . 1 . . . . . 167 TRP N . 27413 1 450 . 1 1 106 106 VAL H H 1 6.564 0.00 . 1 . . . . . 168 VAL H . 27413 1 451 . 1 1 106 106 VAL C C 13 179.148 0.00 . 1 . . . . . 168 VAL C . 27413 1 452 . 1 1 106 106 VAL CA C 13 65.456 0.02 . 1 . . . . . 168 VAL CA . 27413 1 453 . 1 1 106 106 VAL CB C 13 28.739 0.01 . 1 . . . . . 168 VAL CB . 27413 1 454 . 1 1 106 106 VAL N N 15 124.064 0.01 . 1 . . . . . 168 VAL N . 27413 1 455 . 1 1 107 107 HIS H H 1 6.702 0.00 . 1 . . . . . 169 HIS H . 27413 1 456 . 1 1 107 107 HIS C C 13 177.377 0.00 . 1 . . . . . 169 HIS C . 27413 1 457 . 1 1 107 107 HIS CA C 13 60.404 0.01 . 1 . . . . . 169 HIS CA . 27413 1 458 . 1 1 107 107 HIS CB C 13 30.316 0.01 . 1 . . . . . 169 HIS CB . 27413 1 459 . 1 1 107 107 HIS N N 15 120.521 0.02 . 1 . . . . . 169 HIS N . 27413 1 460 . 1 1 108 108 GLN H H 1 8.353 0.00 . 1 . . . . . 170 GLN H . 27413 1 461 . 1 1 108 108 GLN C C 13 177.714 0.00 . 1 . . . . . 170 GLN C . 27413 1 462 . 1 1 108 108 GLN CA C 13 58.392 0.00 . 1 . . . . . 170 GLN CA . 27413 1 463 . 1 1 108 108 GLN CB C 13 28.766 0.01 . 1 . . . . . 170 GLN CB . 27413 1 464 . 1 1 108 108 GLN N N 15 116.005 0.01 . 1 . . . . . 170 GLN N . 27413 1 465 . 1 1 109 109 LEU H H 1 8.789 0.00 . 1 . . . . . 171 LEU H . 27413 1 466 . 1 1 109 109 LEU C C 13 177.415 0.00 . 1 . . . . . 171 LEU C . 27413 1 467 . 1 1 109 109 LEU CA C 13 55.224 0.01 . 1 . . . . . 171 LEU CA . 27413 1 468 . 1 1 109 109 LEU CB C 13 41.696 0.01 . 1 . . . . . 171 LEU CB . 27413 1 469 . 1 1 109 109 LEU N N 15 113.062 0.00 . 1 . . . . . 171 LEU N . 27413 1 470 . 1 1 110 110 VAL H H 1 6.977 0.00 . 1 . . . . . 172 VAL H . 27413 1 471 . 1 1 110 110 VAL C C 13 176.353 0.00 . 1 . . . . . 172 VAL C . 27413 1 472 . 1 1 110 110 VAL CA C 13 63.416 0.01 . 1 . . . . . 172 VAL CA . 27413 1 473 . 1 1 110 110 VAL CB C 13 32.355 0.01 . 1 . . . . . 172 VAL CB . 27413 1 474 . 1 1 110 110 VAL N N 15 113.772 0.01 . 1 . . . . . 172 VAL N . 27413 1 475 . 1 1 111 111 ILE H H 1 8.727 0.00 . 1 . . . . . 173 ILE H . 27413 1 476 . 1 1 111 111 ILE C C 13 177.836 0.00 . 1 . . . . . 173 ILE C . 27413 1 477 . 1 1 111 111 ILE CA C 13 66.711 0.05 . 1 . . . . . 173 ILE CA . 27413 1 478 . 1 1 111 111 ILE CB C 13 36.537 0.02 . 1 . . . . . 173 ILE CB . 27413 1 479 . 1 1 111 111 ILE N N 15 119.846 0.02 . 1 . . . . . 173 ILE N . 27413 1 480 . 1 1 112 112 GLN H H 1 8.174 0.00 . 1 . . . . . 174 GLN H . 27413 1 481 . 1 1 112 112 GLN C C 13 178.011 0.00 . 1 . . . . . 174 GLN C . 27413 1 482 . 1 1 112 112 GLN CA C 13 59.025 0.01 . 1 . . . . . 174 GLN CA . 27413 1 483 . 1 1 112 112 GLN CB C 13 27.076 0.01 . 1 . . . . . 174 GLN CB . 27413 1 484 . 1 1 112 112 GLN N N 15 116.522 0.01 . 1 . . . . . 174 GLN N . 27413 1 485 . 1 1 113 113 LYS H H 1 6.454 0.00 . 1 . . . . . 175 LYS H . 27413 1 486 . 1 1 113 113 LYS C C 13 178.438 0.00 . 1 . . . . . 175 LYS C . 27413 1 487 . 1 1 113 113 LYS CA C 13 58.127 0.00 . 1 . . . . . 175 LYS CA . 27413 1 488 . 1 1 113 113 LYS CB C 13 30.383 0.03 . 1 . . . . . 175 LYS CB . 27413 1 489 . 1 1 113 113 LYS N N 15 117.996 0.02 . 1 . . . . . 175 LYS N . 27413 1 490 . 1 1 114 114 LEU H H 1 7.418 0.00 . 1 . . . . . 176 LEU H . 27413 1 491 . 1 1 114 114 LEU C C 13 178.962 0.00 . 1 . . . . . 176 LEU C . 27413 1 492 . 1 1 114 114 LEU CA C 13 57.506 0.03 . 1 . . . . . 176 LEU CA . 27413 1 493 . 1 1 114 114 LEU CB C 13 40.523 0.05 . 1 . . . . . 176 LEU CB . 27413 1 494 . 1 1 114 114 LEU N N 15 118.179 0.02 . 1 . . . . . 176 LEU N . 27413 1 495 . 1 1 115 115 VAL H H 1 8.354 0.00 . 1 . . . . . 177 VAL H . 27413 1 496 . 1 1 115 115 VAL C C 13 181.547 0.00 . 1 . . . . . 177 VAL C . 27413 1 497 . 1 1 115 115 VAL CA C 13 64.820 0.03 . 1 . . . . . 177 VAL CA . 27413 1 498 . 1 1 115 115 VAL CB C 13 31.251 0.01 . 1 . . . . . 177 VAL CB . 27413 1 499 . 1 1 115 115 VAL N N 15 121.687 0.01 . 1 . . . . . 177 VAL N . 27413 1 500 . 1 1 116 116 GLU H H 1 8.523 0.00 . 1 . . . . . 178 GLU H . 27413 1 501 . 1 1 116 116 GLU C C 13 178.239 0.00 . 1 . . . . . 178 GLU C . 27413 1 502 . 1 1 116 116 GLU CA C 13 58.931 0.01 . 1 . . . . . 178 GLU CA . 27413 1 503 . 1 1 116 116 GLU CB C 13 28.273 0.01 . 1 . . . . . 178 GLU CB . 27413 1 504 . 1 1 116 116 GLU N N 15 124.861 0.01 . 1 . . . . . 178 GLU N . 27413 1 505 . 1 1 117 117 HIS H H 1 7.460 0.00 . 1 . . . . . 179 HIS H . 27413 1 506 . 1 1 117 117 HIS C C 13 173.478 0.00 . 1 . . . . . 179 HIS C . 27413 1 507 . 1 1 117 117 HIS CA C 13 56.936 0.00 . 1 . . . . . 179 HIS CA . 27413 1 508 . 1 1 117 117 HIS CB C 13 29.398 0.03 . 1 . . . . . 179 HIS CB . 27413 1 509 . 1 1 117 117 HIS N N 15 115.093 0.01 . 1 . . . . . 179 HIS N . 27413 1 510 . 1 1 118 118 ARG H H 1 7.944 0.00 . 1 . . . . . 180 ARG H . 27413 1 511 . 1 1 118 118 ARG C C 13 175.835 0.00 . 1 . . . . . 180 ARG C . 27413 1 512 . 1 1 118 118 ARG CA C 13 56.355 0.01 . 1 . . . . . 180 ARG CA . 27413 1 513 . 1 1 118 118 ARG CB C 13 24.770 0.00 . 1 . . . . . 180 ARG CB . 27413 1 514 . 1 1 118 118 ARG N N 15 115.248 0.01 . 1 . . . . . 180 ARG N . 27413 1 515 . 1 1 119 119 VAL H H 1 8.479 0.00 . 1 . . . . . 181 VAL H . 27413 1 516 . 1 1 119 119 VAL C C 13 175.634 0.00 . 1 . . . . . 181 VAL C . 27413 1 517 . 1 1 119 119 VAL CA C 13 64.851 0.01 . 1 . . . . . 181 VAL CA . 27413 1 518 . 1 1 119 119 VAL CB C 13 31.547 0.00 . 1 . . . . . 181 VAL CB . 27413 1 519 . 1 1 119 119 VAL N N 15 120.111 0.03 . 1 . . . . . 181 VAL N . 27413 1 520 . 1 1 120 120 ILE H H 1 6.626 0.00 . 1 . . . . . 182 ILE H . 27413 1 521 . 1 1 120 120 ILE CA C 13 56.477 0.00 . 1 . . . . . 182 ILE CA . 27413 1 522 . 1 1 120 120 ILE CB C 13 39.563 0.00 . 1 . . . . . 182 ILE CB . 27413 1 523 . 1 1 120 120 ILE N N 15 108.787 0.00 . 1 . . . . . 182 ILE N . 27413 1 524 . 1 1 121 121 PRO C C 13 176.326 0.00 . 1 . . . . . 183 PRO C . 27413 1 525 . 1 1 121 121 PRO CA C 13 61.161 0.00 . 1 . . . . . 183 PRO CA . 27413 1 526 . 1 1 121 121 PRO CB C 13 31.455 0.00 . 1 . . . . . 183 PRO CB . 27413 1 527 . 1 1 122 122 GLU H H 1 8.556 0.00 . 1 . . . . . 184 GLU H . 27413 1 528 . 1 1 122 122 GLU C C 13 177.798 0.00 . 1 . . . . . 184 GLU C . 27413 1 529 . 1 1 122 122 GLU CA C 13 57.177 0.01 . 1 . . . . . 184 GLU CA . 27413 1 530 . 1 1 122 122 GLU CB C 13 28.573 0.01 . 1 . . . . . 184 GLU CB . 27413 1 531 . 1 1 122 122 GLU N N 15 121.769 0.01 . 1 . . . . . 184 GLU N . 27413 1 532 . 1 1 123 123 GLY H H 1 9.091 0.00 . 1 . . . . . 185 GLY H . 27413 1 533 . 1 1 123 123 GLY C C 13 173.417 0.00 . 1 . . . . . 185 GLY C . 27413 1 534 . 1 1 123 123 GLY CA C 13 45.367 0.07 . 1 . . . . . 185 GLY CA . 27413 1 535 . 1 1 123 123 GLY N N 15 115.269 0.01 . 1 . . . . . 185 GLY N . 27413 1 536 . 1 1 124 124 PHE H H 1 7.732 0.00 . 1 . . . . . 186 PHE H . 27413 1 537 . 1 1 124 124 PHE C C 13 175.338 0.00 . 1 . . . . . 186 PHE C . 27413 1 538 . 1 1 124 124 PHE CA C 13 59.941 0.00 . 1 . . . . . 186 PHE CA . 27413 1 539 . 1 1 124 124 PHE CB C 13 41.041 0.02 . 1 . . . . . 186 PHE CB . 27413 1 540 . 1 1 124 124 PHE N N 15 122.431 0.01 . 1 . . . . . 186 PHE N . 27413 1 541 . 1 1 125 125 VAL H H 1 7.936 0.00 . 1 . . . . . 187 VAL H . 27413 1 542 . 1 1 125 125 VAL C C 13 177.503 0.00 . 1 . . . . . 187 VAL C . 27413 1 543 . 1 1 125 125 VAL CA C 13 63.830 0.01 . 1 . . . . . 187 VAL CA . 27413 1 544 . 1 1 125 125 VAL CB C 13 31.843 0.00 . 1 . . . . . 187 VAL CB . 27413 1 545 . 1 1 125 125 VAL N N 15 115.351 0.01 . 1 . . . . . 187 VAL N . 27413 1 546 . 1 1 126 126 ASN H H 1 8.388 0.01 . 1 . . . . . 188 ASN H . 27413 1 547 . 1 1 126 126 ASN C C 13 175.900 0.00 . 1 . . . . . 188 ASN C . 27413 1 548 . 1 1 126 126 ASN CA C 13 54.304 2.28 . 1 . . . . . 188 ASN CA . 27413 1 549 . 1 1 126 126 ASN CB C 13 39.416 1.05 . 1 . . . . . 188 ASN CB . 27413 1 550 . 1 1 126 126 ASN N N 15 123.191 0.02 . 1 . . . . . 188 ASN N . 27413 1 551 . 1 1 127 127 SER H H 1 9.749 0.00 . 1 . . . . . 189 SER H . 27413 1 552 . 1 1 127 127 SER C C 13 171.812 0.00 . 1 . . . . . 189 SER C . 27413 1 553 . 1 1 127 127 SER CA C 13 56.655 0.08 . 1 . . . . . 189 SER CA . 27413 1 554 . 1 1 127 127 SER CB C 13 64.874 0.00 . 1 . . . . . 189 SER CB . 27413 1 555 . 1 1 127 127 SER N N 15 122.885 0.01 . 1 . . . . . 189 SER N . 27413 1 556 . 1 1 128 128 ALA H H 1 8.923 0.01 . 1 . . . . . 190 ALA H . 27413 1 557 . 1 1 128 128 ALA C C 13 174.257 0.00 . 1 . . . . . 190 ALA C . 27413 1 558 . 1 1 128 128 ALA CA C 13 49.784 0.02 . 1 . . . . . 190 ALA CA . 27413 1 559 . 1 1 128 128 ALA CB C 13 20.655 0.00 . 1 . . . . . 190 ALA CB . 27413 1 560 . 1 1 128 128 ALA N N 15 129.249 0.01 . 1 . . . . . 190 ALA N . 27413 1 561 . 1 1 129 129 VAL H H 1 8.867 0.00 . 1 . . . . . 191 VAL H . 27413 1 562 . 1 1 129 129 VAL C C 13 175.696 0.00 . 1 . . . . . 191 VAL C . 27413 1 563 . 1 1 129 129 VAL CA C 13 58.882 0.00 . 1 . . . . . 191 VAL CA . 27413 1 564 . 1 1 129 129 VAL CB C 13 34.745 0.02 . 1 . . . . . 191 VAL CB . 27413 1 565 . 1 1 129 129 VAL N N 15 123.314 0.03 . 1 . . . . . 191 VAL N . 27413 1 566 . 1 1 130 130 ILE H H 1 9.225 0.00 . 1 . . . . . 192 ILE H . 27413 1 567 . 1 1 130 130 ILE C C 13 175.035 0.00 . 1 . . . . . 192 ILE C . 27413 1 568 . 1 1 130 130 ILE CA C 13 59.567 0.02 . 1 . . . . . 192 ILE CA . 27413 1 569 . 1 1 130 130 ILE CB C 13 39.034 0.00 . 1 . . . . . 192 ILE CB . 27413 1 570 . 1 1 130 130 ILE N N 15 125.931 0.02 . 1 . . . . . 192 ILE N . 27413 1 571 . 1 1 131 131 ASN H H 1 9.170 0.00 . 1 . . . . . 193 ASN H . 27413 1 572 . 1 1 131 131 ASN C C 13 172.815 0.00 . 1 . . . . . 193 ASN C . 27413 1 573 . 1 1 131 131 ASN CA C 13 51.380 0.00 . 1 . . . . . 193 ASN CA . 27413 1 574 . 1 1 131 131 ASN CB C 13 40.940 0.01 . 1 . . . . . 193 ASN CB . 27413 1 575 . 1 1 131 131 ASN N N 15 126.605 0.01 . 1 . . . . . 193 ASN N . 27413 1 576 . 1 1 132 132 ASP H H 1 9.026 0.01 . 1 . . . . . 194 ASP H . 27413 1 577 . 1 1 132 132 ASP C C 13 175.152 0.00 . 1 . . . . . 194 ASP C . 27413 1 578 . 1 1 132 132 ASP CA C 13 53.004 0.01 . 1 . . . . . 194 ASP CA . 27413 1 579 . 1 1 132 132 ASP CB C 13 42.614 0.03 . 1 . . . . . 194 ASP CB . 27413 1 580 . 1 1 132 132 ASP N N 15 125.398 0.01 . 1 . . . . . 194 ASP N . 27413 1 581 . 1 1 133 133 TYR H H 1 9.387 0.00 . 1 . . . . . 195 TYR H . 27413 1 582 . 1 1 133 133 TYR C C 13 175.147 0.00 . 1 . . . . . 195 TYR C . 27413 1 583 . 1 1 133 133 TYR CA C 13 56.922 0.04 . 1 . . . . . 195 TYR CA . 27413 1 584 . 1 1 133 133 TYR CB C 13 40.122 0.00 . 1 . . . . . 195 TYR CB . 27413 1 585 . 1 1 133 133 TYR N N 15 126.873 0.01 . 1 . . . . . 195 TYR N . 27413 1 586 . 1 1 134 134 GLN H H 1 8.099 0.00 . 1 . . . . . 196 GLN H . 27413 1 587 . 1 1 134 134 GLN CA C 13 52.413 0.00 . 1 . . . . . 196 GLN CA . 27413 1 588 . 1 1 134 134 GLN N N 15 119.690 0.04 . 1 . . . . . 196 GLN N . 27413 1 589 . 1 1 135 135 PRO C C 13 177.367 0.00 . 1 . . . . . 197 PRO C . 27413 1 590 . 1 1 135 135 PRO CA C 13 62.803 0.00 . 1 . . . . . 197 PRO CA . 27413 1 591 . 1 1 136 136 GLY H H 1 8.155 0.00 . 1 . . . . . 198 GLY H . 27413 1 592 . 1 1 136 136 GLY C C 13 175.032 0.00 . 1 . . . . . 198 GLY C . 27413 1 593 . 1 1 136 136 GLY CA C 13 44.595 0.09 . 1 . . . . . 198 GLY CA . 27413 1 594 . 1 1 136 136 GLY N N 15 109.020 0.02 . 1 . . . . . 198 GLY N . 27413 1 595 . 1 1 137 137 GLY H H 1 8.650 0.00 . 1 . . . . . 199 GLY H . 27413 1 596 . 1 1 137 137 GLY C C 13 174.396 0.00 . 1 . . . . . 199 GLY C . 27413 1 597 . 1 1 137 137 GLY CA C 13 44.781 0.10 . 1 . . . . . 199 GLY CA . 27413 1 598 . 1 1 137 137 GLY N N 15 109.472 0.01 . 1 . . . . . 199 GLY N . 27413 1 599 . 1 1 138 138 CYS H H 1 7.600 0.00 . 1 . . . . . 200 CYS H . 27413 1 600 . 1 1 138 138 CYS C C 13 174.577 0.00 . 1 . . . . . 200 CYS C . 27413 1 601 . 1 1 138 138 CYS CA C 13 56.207 0.02 . 1 . . . . . 200 CYS CA . 27413 1 602 . 1 1 138 138 CYS CB C 13 28.799 0.00 . 1 . . . . . 200 CYS CB . 27413 1 603 . 1 1 138 138 CYS N N 15 121.828 0.03 . 1 . . . . . 200 CYS N . 27413 1 604 . 1 1 139 139 ILE H H 1 6.417 0.01 . 1 . . . . . 201 ILE H . 27413 1 605 . 1 1 139 139 ILE C C 13 173.795 0.00 . 1 . . . . . 201 ILE C . 27413 1 606 . 1 1 139 139 ILE CA C 13 59.773 0.07 . 1 . . . . . 201 ILE CA . 27413 1 607 . 1 1 139 139 ILE N N 15 117.570 0.03 . 1 . . . . . 201 ILE N . 27413 1 608 . 1 1 140 140 VAL H H 1 7.722 0.01 . 1 . . . . . 202 VAL H . 27413 1 609 . 1 1 140 140 VAL C C 13 175.401 0.00 . 1 . . . . . 202 VAL C . 27413 1 610 . 1 1 140 140 VAL CA C 13 61.666 0.11 . 1 . . . . . 202 VAL CA . 27413 1 611 . 1 1 140 140 VAL CB C 13 31.602 0.37 . 1 . . . . . 202 VAL CB . 27413 1 612 . 1 1 140 140 VAL N N 15 123.753 0.02 . 1 . . . . . 202 VAL N . 27413 1 613 . 1 1 141 141 SER H H 1 7.890 0.00 . 1 . . . . . 203 SER H . 27413 1 614 . 1 1 141 141 SER CA C 13 59.400 0.00 . 1 . . . . . 203 SER CA . 27413 1 615 . 1 1 141 141 SER CB C 13 64.285 0.00 . 1 . . . . . 203 SER CB . 27413 1 616 . 1 1 141 141 SER N N 15 126.331 0.01 . 1 . . . . . 203 SER N . 27413 1 617 . 1 1 142 142 HIS C C 13 172.954 0.00 . 1 . . . . . 204 HIS C . 27413 1 618 . 1 1 142 142 HIS CA C 13 53.407 0.00 . 1 . . . . . 204 HIS CA . 27413 1 619 . 1 1 142 142 HIS CB C 13 32.812 0.00 . 1 . . . . . 204 HIS CB . 27413 1 620 . 1 1 143 143 VAL H H 1 8.358 0.00 . 1 . . . . . 205 VAL H . 27413 1 621 . 1 1 143 143 VAL CA C 13 56.820 0.00 . 1 . . . . . 205 VAL CA . 27413 1 622 . 1 1 143 143 VAL CB C 13 28.818 0.00 . 1 . . . . . 205 VAL CB . 27413 1 623 . 1 1 143 143 VAL N N 15 120.188 0.03 . 1 . . . . . 205 VAL N . 27413 1 624 . 1 1 146 146 ILE C C 13 175.741 0.00 . 1 . . . . . 208 ILE C . 27413 1 625 . 1 1 146 146 ILE CA C 13 63.478 0.00 . 1 . . . . . 208 ILE CA . 27413 1 626 . 1 1 146 146 ILE CB C 13 38.419 0.00 . 1 . . . . . 208 ILE CB . 27413 1 627 . 1 1 147 147 HIS H H 1 8.362 0.00 . 1 . . . . . 209 HIS H . 27413 1 628 . 1 1 147 147 HIS C C 13 177.010 0.00 . 1 . . . . . 209 HIS C . 27413 1 629 . 1 1 147 147 HIS CA C 13 55.656 0.55 . 1 . . . . . 209 HIS CA . 27413 1 630 . 1 1 147 147 HIS CB C 13 29.447 0.49 . 1 . . . . . 209 HIS CB . 27413 1 631 . 1 1 147 147 HIS N N 15 116.688 0.02 . 1 . . . . . 209 HIS N . 27413 1 632 . 1 1 148 148 ILE H H 1 8.040 0.00 . 1 . . . . . 210 ILE H . 27413 1 633 . 1 1 148 148 ILE C C 13 174.068 0.00 . 1 . . . . . 210 ILE C . 27413 1 634 . 1 1 148 148 ILE CA C 13 59.736 0.01 . 1 . . . . . 210 ILE CA . 27413 1 635 . 1 1 148 148 ILE CB C 13 37.624 0.00 . 1 . . . . . 210 ILE CB . 27413 1 636 . 1 1 148 148 ILE N N 15 120.857 0.01 . 1 . . . . . 210 ILE N . 27413 1 637 . 1 1 149 149 PHE H H 1 7.385 0.00 . 1 . . . . . 211 PHE H . 27413 1 638 . 1 1 149 149 PHE CA C 13 56.914 0.00 . 1 . . . . . 211 PHE CA . 27413 1 639 . 1 1 149 149 PHE CB C 13 40.367 0.00 . 1 . . . . . 211 PHE CB . 27413 1 640 . 1 1 149 149 PHE N N 15 116.474 0.01 . 1 . . . . . 211 PHE N . 27413 1 641 . 1 1 150 150 GLU C C 13 178.487 0.00 . 1 . . . . . 212 GLU C . 27413 1 642 . 1 1 150 150 GLU CA C 13 58.092 0.00 . 1 . . . . . 212 GLU CA . 27413 1 643 . 1 1 150 150 GLU CB C 13 28.817 0.00 . 1 . . . . . 212 GLU CB . 27413 1 644 . 1 1 151 151 ARG H H 1 8.243 0.00 . 1 . . . . . 213 ARG H . 27413 1 645 . 1 1 151 151 ARG CA C 13 53.177 0.00 . 1 . . . . . 213 ARG CA . 27413 1 646 . 1 1 151 151 ARG CB C 13 28.606 0.00 . 1 . . . . . 213 ARG CB . 27413 1 647 . 1 1 151 151 ARG N N 15 121.496 0.04 . 1 . . . . . 213 ARG N . 27413 1 648 . 1 1 152 152 PRO C C 13 174.300 0.00 . 1 . . . . . 214 PRO C . 27413 1 649 . 1 1 152 152 PRO CA C 13 61.540 0.00 . 1 . . . . . 214 PRO CA . 27413 1 650 . 1 1 152 152 PRO CB C 13 35.549 0.00 . 1 . . . . . 214 PRO CB . 27413 1 651 . 1 1 153 153 ILE H H 1 8.455 0.00 . 1 . . . . . 215 ILE H . 27413 1 652 . 1 1 153 153 ILE C C 13 175.809 0.00 . 1 . . . . . 215 ILE C . 27413 1 653 . 1 1 153 153 ILE CA C 13 60.633 0.06 . 1 . . . . . 215 ILE CA . 27413 1 654 . 1 1 153 153 ILE CB C 13 38.766 0.02 . 1 . . . . . 215 ILE CB . 27413 1 655 . 1 1 153 153 ILE N N 15 118.797 0.01 . 1 . . . . . 215 ILE N . 27413 1 656 . 1 1 154 154 VAL H H 1 7.543 0.00 . 1 . . . . . 216 VAL H . 27413 1 657 . 1 1 154 154 VAL C C 13 173.344 0.00 . 1 . . . . . 216 VAL C . 27413 1 658 . 1 1 154 154 VAL CA C 13 61.015 0.04 . 1 . . . . . 216 VAL CA . 27413 1 659 . 1 1 154 154 VAL CB C 13 32.857 0.03 . 1 . . . . . 216 VAL CB . 27413 1 660 . 1 1 154 154 VAL N N 15 127.816 0.02 . 1 . . . . . 216 VAL N . 27413 1 661 . 1 1 155 155 SER H H 1 9.271 0.00 . 1 . . . . . 217 SER H . 27413 1 662 . 1 1 155 155 SER C C 13 175.988 0.00 . 1 . . . . . 217 SER C . 27413 1 663 . 1 1 155 155 SER CA C 13 55.650 0.00 . 1 . . . . . 217 SER CA . 27413 1 664 . 1 1 155 155 SER CB C 13 65.143 0.07 . 1 . . . . . 217 SER CB . 27413 1 665 . 1 1 155 155 SER N N 15 121.470 0.01 . 1 . . . . . 217 SER N . 27413 1 666 . 1 1 156 156 VAL H H 1 9.284 0.00 . 1 . . . . . 218 VAL H . 27413 1 667 . 1 1 156 156 VAL C C 13 174.462 0.00 . 1 . . . . . 218 VAL C . 27413 1 668 . 1 1 156 156 VAL CA C 13 56.986 3.19 . 1 . . . . . 218 VAL CA . 27413 1 669 . 1 1 156 156 VAL CB C 13 33.096 0.05 . 1 . . . . . 218 VAL CB . 27413 1 670 . 1 1 156 156 VAL N N 15 125.775 0.04 . 1 . . . . . 218 VAL N . 27413 1 671 . 1 1 157 157 SER H H 1 7.150 0.00 . 1 . . . . . 219 SER H . 27413 1 672 . 1 1 157 157 SER C C 13 172.379 0.00 . 1 . . . . . 219 SER C . 27413 1 673 . 1 1 157 157 SER CA C 13 59.083 0.03 . 1 . . . . . 219 SER CA . 27413 1 674 . 1 1 157 157 SER CB C 13 64.891 0.10 . 1 . . . . . 219 SER CB . 27413 1 675 . 1 1 157 157 SER N N 15 121.730 0.02 . 1 . . . . . 219 SER N . 27413 1 676 . 1 1 158 158 PHE H H 1 9.303 0.00 . 1 . . . . . 220 PHE H . 27413 1 677 . 1 1 158 158 PHE C C 13 176.077 0.00 . 1 . . . . . 220 PHE C . 27413 1 678 . 1 1 158 158 PHE CA C 13 58.668 0.03 . 1 . . . . . 220 PHE CA . 27413 1 679 . 1 1 158 158 PHE CB C 13 42.705 0.02 . 1 . . . . . 220 PHE CB . 27413 1 680 . 1 1 158 158 PHE N N 15 120.302 0.01 . 1 . . . . . 220 PHE N . 27413 1 681 . 1 1 159 159 PHE H H 1 9.394 0.00 . 1 . . . . . 221 PHE H . 27413 1 682 . 1 1 159 159 PHE C C 13 176.346 0.00 . 1 . . . . . 221 PHE C . 27413 1 683 . 1 1 159 159 PHE CA C 13 65.239 0.00 . 1 . . . . . 221 PHE CA . 27413 1 684 . 1 1 159 159 PHE CB C 13 37.087 0.02 . 1 . . . . . 221 PHE CB . 27413 1 685 . 1 1 159 159 PHE N N 15 115.437 0.01 . 1 . . . . . 221 PHE N . 27413 1 686 . 1 1 160 160 SER H H 1 8.349 0.00 . 1 . . . . . 222 SER H . 27413 1 687 . 1 1 160 160 SER C C 13 172.107 0.00 . 1 . . . . . 222 SER C . 27413 1 688 . 1 1 160 160 SER CA C 13 57.550 0.00 . 1 . . . . . 222 SER CA . 27413 1 689 . 1 1 160 160 SER CB C 13 64.712 0.01 . 1 . . . . . 222 SER CB . 27413 1 690 . 1 1 160 160 SER N N 15 113.229 0.01 . 1 . . . . . 222 SER N . 27413 1 691 . 1 1 161 161 ASP H H 1 8.557 0.00 . 1 . . . . . 223 ASP H . 27413 1 692 . 1 1 161 161 ASP C C 13 175.670 0.00 . 1 . . . . . 223 ASP C . 27413 1 693 . 1 1 161 161 ASP CA C 13 53.535 0.01 . 1 . . . . . 223 ASP CA . 27413 1 694 . 1 1 161 161 ASP CB C 13 40.283 0.01 . 1 . . . . . 223 ASP CB . 27413 1 695 . 1 1 161 161 ASP N N 15 120.829 0.01 . 1 . . . . . 223 ASP N . 27413 1 696 . 1 1 162 162 SER H H 1 8.027 0.00 . 1 . . . . . 224 SER H . 27413 1 697 . 1 1 162 162 SER C C 13 174.839 0.00 . 1 . . . . . 224 SER C . 27413 1 698 . 1 1 162 162 SER CA C 13 55.285 0.02 . 1 . . . . . 224 SER CA . 27413 1 699 . 1 1 162 162 SER CB C 13 62.779 0.04 . 1 . . . . . 224 SER CB . 27413 1 700 . 1 1 162 162 SER N N 15 114.846 0.00 . 1 . . . . . 224 SER N . 27413 1 701 . 1 1 163 163 ALA H H 1 8.997 0.00 . 1 . . . . . 225 ALA H . 27413 1 702 . 1 1 163 163 ALA C C 13 174.746 0.00 . 1 . . . . . 225 ALA C . 27413 1 703 . 1 1 163 163 ALA CA C 13 51.369 0.01 . 1 . . . . . 225 ALA CA . 27413 1 704 . 1 1 163 163 ALA CB C 13 20.525 0.03 . 1 . . . . . 225 ALA CB . 27413 1 705 . 1 1 163 163 ALA N N 15 126.294 0.01 . 1 . . . . . 225 ALA N . 27413 1 706 . 1 1 164 164 LEU H H 1 9.001 0.00 . 1 . . . . . 226 LEU H . 27413 1 707 . 1 1 164 164 LEU C C 13 175.321 0.00 . 1 . . . . . 226 LEU C . 27413 1 708 . 1 1 164 164 LEU CA C 13 53.477 0.01 . 1 . . . . . 226 LEU CA . 27413 1 709 . 1 1 164 164 LEU CB C 13 44.897 0.02 . 1 . . . . . 226 LEU CB . 27413 1 710 . 1 1 164 164 LEU N N 15 125.596 0.02 . 1 . . . . . 226 LEU N . 27413 1 711 . 1 1 165 165 CYS H H 1 8.220 0.00 . 1 . . . . . 227 CYS H . 27413 1 712 . 1 1 165 165 CYS CA C 13 58.339 0.00 . 1 . . . . . 227 CYS CA . 27413 1 713 . 1 1 165 165 CYS CB C 13 28.925 0.00 . 1 . . . . . 227 CYS CB . 27413 1 714 . 1 1 165 165 CYS N N 15 120.871 0.03 . 1 . . . . . 227 CYS N . 27413 1 715 . 1 1 166 166 PHE C C 13 177.393 0.00 . 1 . . . . . 228 PHE C . 27413 1 716 . 1 1 166 166 PHE CA C 13 57.094 0.00 . 1 . . . . . 228 PHE CA . 27413 1 717 . 1 1 167 167 GLY H H 1 8.694 0.00 . 1 . . . . . 229 GLY H . 27413 1 718 . 1 1 167 167 GLY C C 13 172.803 0.00 . 1 . . . . . 229 GLY C . 27413 1 719 . 1 1 167 167 GLY CA C 13 44.183 0.03 . 1 . . . . . 229 GLY CA . 27413 1 720 . 1 1 167 167 GLY N N 15 112.043 0.01 . 1 . . . . . 229 GLY N . 27413 1 721 . 1 1 168 168 CYS H H 1 7.230 0.01 . 1 . . . . . 230 CYS H . 27413 1 722 . 1 1 168 168 CYS CA C 13 58.917 0.00 . 1 . . . . . 230 CYS CA . 27413 1 723 . 1 1 168 168 CYS CB C 13 27.681 0.00 . 1 . . . . . 230 CYS CB . 27413 1 724 . 1 1 168 168 CYS N N 15 120.616 0.02 . 1 . . . . . 230 CYS N . 27413 1 725 . 1 1 169 169 LYS C C 13 178.780 0.00 . 1 . . . . . 231 LYS C . 27413 1 726 . 1 1 169 169 LYS CA C 13 56.296 0.00 . 1 . . . . . 231 LYS CA . 27413 1 727 . 1 1 170 170 PHE H H 1 8.027 0.00 . 1 . . . . . 232 PHE H . 27413 1 728 . 1 1 170 170 PHE C C 13 175.646 0.00 . 1 . . . . . 232 PHE C . 27413 1 729 . 1 1 170 170 PHE CA C 13 56.974 0.03 . 1 . . . . . 232 PHE CA . 27413 1 730 . 1 1 170 170 PHE CB C 13 40.730 0.14 . 1 . . . . . 232 PHE CB . 27413 1 731 . 1 1 170 170 PHE N N 15 120.532 0.03 . 1 . . . . . 232 PHE N . 27413 1 732 . 1 1 171 171 GLN H H 1 8.435 0.00 . 1 . . . . . 233 GLN H . 27413 1 733 . 1 1 171 171 GLN C C 13 173.157 0.00 . 1 . . . . . 233 GLN C . 27413 1 734 . 1 1 171 171 GLN CA C 13 54.067 0.00 . 1 . . . . . 233 GLN CA . 27413 1 735 . 1 1 171 171 GLN CB C 13 32.041 0.01 . 1 . . . . . 233 GLN CB . 27413 1 736 . 1 1 171 171 GLN N N 15 121.219 0.01 . 1 . . . . . 233 GLN N . 27413 1 737 . 1 1 172 172 PHE H H 1 8.308 0.00 . 1 . . . . . 234 PHE H . 27413 1 738 . 1 1 172 172 PHE C C 13 175.272 0.00 . 1 . . . . . 234 PHE C . 27413 1 739 . 1 1 172 172 PHE CA C 13 57.562 0.01 . 1 . . . . . 234 PHE CA . 27413 1 740 . 1 1 172 172 PHE CB C 13 41.380 0.01 . 1 . . . . . 234 PHE CB . 27413 1 741 . 1 1 172 172 PHE N N 15 117.036 0.01 . 1 . . . . . 234 PHE N . 27413 1 742 . 1 1 173 173 LYS H H 1 8.618 0.00 . 1 . . . . . 235 LYS H . 27413 1 743 . 1 1 173 173 LYS CA C 13 55.540 0.00 . 1 . . . . . 235 LYS CA . 27413 1 744 . 1 1 173 173 LYS CB C 13 30.069 0.00 . 1 . . . . . 235 LYS CB . 27413 1 745 . 1 1 173 173 LYS N N 15 116.429 0.01 . 1 . . . . . 235 LYS N . 27413 1 746 . 1 1 174 174 PRO C C 13 176.623 0.00 . 1 . . . . . 236 PRO C . 27413 1 747 . 1 1 174 174 PRO CA C 13 62.677 0.00 . 1 . . . . . 236 PRO CA . 27413 1 748 . 1 1 174 174 PRO CB C 13 34.035 0.00 . 1 . . . . . 236 PRO CB . 27413 1 749 . 1 1 175 175 ILE H H 1 8.200 0.00 . 1 . . . . . 237 ILE H . 27413 1 750 . 1 1 175 175 ILE C C 13 176.683 0.00 . 1 . . . . . 237 ILE C . 27413 1 751 . 1 1 175 175 ILE CA C 13 61.812 0.00 . 1 . . . . . 237 ILE CA . 27413 1 752 . 1 1 175 175 ILE CB C 13 36.462 0.02 . 1 . . . . . 237 ILE CB . 27413 1 753 . 1 1 175 175 ILE N N 15 119.178 0.00 . 1 . . . . . 237 ILE N . 27413 1 754 . 1 1 176 176 ARG H H 1 7.971 0.00 . 1 . . . . . 238 ARG H . 27413 1 755 . 1 1 176 176 ARG C C 13 173.874 0.00 . 1 . . . . . 238 ARG C . 27413 1 756 . 1 1 176 176 ARG CA C 13 54.523 0.00 . 1 . . . . . 238 ARG CA . 27413 1 757 . 1 1 176 176 ARG CB C 13 33.029 0.03 . 1 . . . . . 238 ARG CB . 27413 1 758 . 1 1 176 176 ARG N N 15 129.972 0.02 . 1 . . . . . 238 ARG N . 27413 1 759 . 1 1 177 177 VAL H H 1 8.388 0.00 . 1 . . . . . 239 VAL H . 27413 1 760 . 1 1 177 177 VAL C C 13 175.596 0.00 . 1 . . . . . 239 VAL C . 27413 1 761 . 1 1 177 177 VAL CA C 13 59.939 0.00 . 1 . . . . . 239 VAL CA . 27413 1 762 . 1 1 177 177 VAL CB C 13 32.731 0.03 . 1 . . . . . 239 VAL CB . 27413 1 763 . 1 1 177 177 VAL N N 15 123.077 0.03 . 1 . . . . . 239 VAL N . 27413 1 764 . 1 1 178 178 SER H H 1 8.124 0.00 . 1 . . . . . 240 SER H . 27413 1 765 . 1 1 178 178 SER C C 13 173.480 0.00 . 1 . . . . . 240 SER C . 27413 1 766 . 1 1 178 178 SER CA C 13 58.242 0.00 . 1 . . . . . 240 SER CA . 27413 1 767 . 1 1 178 178 SER CB C 13 63.561 0.01 . 1 . . . . . 240 SER CB . 27413 1 768 . 1 1 178 178 SER N N 15 123.171 0.02 . 1 . . . . . 240 SER N . 27413 1 769 . 1 1 179 179 GLU H H 1 8.365 0.00 . 1 . . . . . 241 GLU H . 27413 1 770 . 1 1 179 179 GLU CA C 13 54.152 0.00 . 1 . . . . . 241 GLU CA . 27413 1 771 . 1 1 179 179 GLU CB C 13 28.674 0.00 . 1 . . . . . 241 GLU CB . 27413 1 772 . 1 1 179 179 GLU N N 15 120.751 0.02 . 1 . . . . . 241 GLU N . 27413 1 773 . 1 1 180 180 PRO C C 13 177.307 0.00 . 1 . . . . . 242 PRO C . 27413 1 774 . 1 1 180 180 PRO CA C 13 62.457 0.00 . 1 . . . . . 242 PRO CA . 27413 1 775 . 1 1 180 180 PRO CB C 13 31.534 0.00 . 1 . . . . . 242 PRO CB . 27413 1 776 . 1 1 181 181 VAL H H 1 8.393 0.00 . 1 . . . . . 243 VAL H . 27413 1 777 . 1 1 181 181 VAL C C 13 175.200 0.00 . 1 . . . . . 243 VAL C . 27413 1 778 . 1 1 181 181 VAL CA C 13 64.872 0.00 . 1 . . . . . 243 VAL CA . 27413 1 779 . 1 1 181 181 VAL CB C 13 31.514 0.00 . 1 . . . . . 243 VAL CB . 27413 1 780 . 1 1 181 181 VAL N N 15 122.617 0.01 . 1 . . . . . 243 VAL N . 27413 1 781 . 1 1 182 182 LEU H H 1 6.930 0.00 . 1 . . . . . 244 LEU H . 27413 1 782 . 1 1 182 182 LEU C C 13 174.088 0.00 . 1 . . . . . 244 LEU C . 27413 1 783 . 1 1 182 182 LEU CA C 13 54.331 0.01 . 1 . . . . . 244 LEU CA . 27413 1 784 . 1 1 182 182 LEU CB C 13 45.282 0.00 . 1 . . . . . 244 LEU CB . 27413 1 785 . 1 1 182 182 LEU N N 15 115.174 0.01 . 1 . . . . . 244 LEU N . 27413 1 786 . 1 1 183 183 SER H H 1 8.706 0.00 . 1 . . . . . 245 SER H . 27413 1 787 . 1 1 183 183 SER C C 13 172.533 0.00 . 1 . . . . . 245 SER C . 27413 1 788 . 1 1 183 183 SER CA C 13 56.056 0.02 . 1 . . . . . 245 SER CA . 27413 1 789 . 1 1 183 183 SER CB C 13 63.207 0.00 . 1 . . . . . 245 SER CB . 27413 1 790 . 1 1 183 183 SER N N 15 123.289 0.02 . 1 . . . . . 245 SER N . 27413 1 791 . 1 1 184 184 LEU H H 1 9.278 0.00 . 1 . . . . . 246 LEU H . 27413 1 792 . 1 1 184 184 LEU CA C 13 50.643 0.00 . 1 . . . . . 246 LEU CA . 27413 1 793 . 1 1 184 184 LEU CB C 13 45.141 0.00 . 1 . . . . . 246 LEU CB . 27413 1 794 . 1 1 184 184 LEU N N 15 130.331 0.01 . 1 . . . . . 246 LEU N . 27413 1 795 . 1 1 185 185 PRO C C 13 174.442 0.00 . 1 . . . . . 247 PRO C . 27413 1 796 . 1 1 185 185 PRO CA C 13 61.392 0.00 . 1 . . . . . 247 PRO CA . 27413 1 797 . 1 1 185 185 PRO CB C 13 27.763 0.00 . 1 . . . . . 247 PRO CB . 27413 1 798 . 1 1 186 186 VAL H H 1 7.976 0.01 . 1 . . . . . 248 VAL H . 27413 1 799 . 1 1 186 186 VAL C C 13 176.637 0.00 . 1 . . . . . 248 VAL C . 27413 1 800 . 1 1 186 186 VAL CA C 13 62.214 0.38 . 1 . . . . . 248 VAL CA . 27413 1 801 . 1 1 186 186 VAL CB C 13 31.893 0.00 . 1 . . . . . 248 VAL CB . 27413 1 802 . 1 1 186 186 VAL N N 15 122.580 0.04 . 1 . . . . . 248 VAL N . 27413 1 803 . 1 1 187 187 ARG H H 1 8.035 0.00 . 1 . . . . . 249 ARG H . 27413 1 804 . 1 1 187 187 ARG C C 13 176.564 0.00 . 1 . . . . . 249 ARG C . 27413 1 805 . 1 1 187 187 ARG CA C 13 58.745 3.57 . 1 . . . . . 249 ARG CA . 27413 1 806 . 1 1 187 187 ARG CB C 13 30.951 0.70 . 1 . . . . . 249 ARG CB . 27413 1 807 . 1 1 187 187 ARG N N 15 124.406 0.07 . 1 . . . . . 249 ARG N . 27413 1 808 . 1 1 188 188 ARG H H 1 8.844 0.00 . 1 . . . . . 250 ARG H . 27413 1 809 . 1 1 188 188 ARG C C 13 176.943 0.00 . 1 . . . . . 250 ARG C . 27413 1 810 . 1 1 188 188 ARG CA C 13 57.536 0.01 . 1 . . . . . 250 ARG CA . 27413 1 811 . 1 1 188 188 ARG CB C 13 29.639 0.07 . 1 . . . . . 250 ARG CB . 27413 1 812 . 1 1 188 188 ARG N N 15 125.437 0.01 . 1 . . . . . 250 ARG N . 27413 1 813 . 1 1 189 189 GLY H H 1 9.172 0.00 . 1 . . . . . 251 GLY H . 27413 1 814 . 1 1 189 189 GLY C C 13 173.024 0.00 . 1 . . . . . 251 GLY C . 27413 1 815 . 1 1 189 189 GLY CA C 13 46.059 0.07 . 1 . . . . . 251 GLY CA . 27413 1 816 . 1 1 189 189 GLY N N 15 117.506 0.02 . 1 . . . . . 251 GLY N . 27413 1 817 . 1 1 190 190 SER H H 1 8.017 0.00 . 1 . . . . . 252 SER H . 27413 1 818 . 1 1 190 190 SER C C 13 172.936 0.00 . 1 . . . . . 252 SER C . 27413 1 819 . 1 1 190 190 SER CA C 13 58.025 0.00 . 1 . . . . . 252 SER CA . 27413 1 820 . 1 1 190 190 SER CB C 13 64.780 0.01 . 1 . . . . . 252 SER CB . 27413 1 821 . 1 1 190 190 SER N N 15 114.821 0.01 . 1 . . . . . 252 SER N . 27413 1 822 . 1 1 191 191 VAL H H 1 8.982 0.00 . 1 . . . . . 253 VAL H . 27413 1 823 . 1 1 191 191 VAL C C 13 174.341 0.00 . 1 . . . . . 253 VAL C . 27413 1 824 . 1 1 191 191 VAL CA C 13 59.910 0.01 . 1 . . . . . 253 VAL CA . 27413 1 825 . 1 1 191 191 VAL CB C 13 33.308 0.00 . 1 . . . . . 253 VAL CB . 27413 1 826 . 1 1 191 191 VAL N N 15 123.742 0.01 . 1 . . . . . 253 VAL N . 27413 1 827 . 1 1 192 192 THR H H 1 9.233 0.00 . 1 . . . . . 254 THR H . 27413 1 828 . 1 1 192 192 THR C C 13 172.790 0.00 . 1 . . . . . 254 THR C . 27413 1 829 . 1 1 192 192 THR CA C 13 62.031 0.00 . 1 . . . . . 254 THR CA . 27413 1 830 . 1 1 192 192 THR CB C 13 69.485 0.01 . 1 . . . . . 254 THR CB . 27413 1 831 . 1 1 192 192 THR N N 15 124.855 0.01 . 1 . . . . . 254 THR N . 27413 1 832 . 1 1 193 193 VAL H H 1 9.341 0.00 . 1 . . . . . 255 VAL H . 27413 1 833 . 1 1 193 193 VAL C C 13 175.538 0.00 . 1 . . . . . 255 VAL C . 27413 1 834 . 1 1 193 193 VAL CA C 13 60.889 0.01 . 1 . . . . . 255 VAL CA . 27413 1 835 . 1 1 193 193 VAL CB C 13 32.545 0.00 . 1 . . . . . 255 VAL CB . 27413 1 836 . 1 1 193 193 VAL N N 15 128.898 0.01 . 1 . . . . . 255 VAL N . 27413 1 837 . 1 1 194 194 LEU H H 1 8.961 0.00 . 1 . . . . . 256 LEU H . 27413 1 838 . 1 1 194 194 LEU C C 13 175.313 0.00 . 1 . . . . . 256 LEU C . 27413 1 839 . 1 1 194 194 LEU CA C 13 53.135 0.00 . 1 . . . . . 256 LEU CA . 27413 1 840 . 1 1 194 194 LEU CB C 13 43.605 0.00 . 1 . . . . . 256 LEU CB . 27413 1 841 . 1 1 194 194 LEU N N 15 127.120 0.01 . 1 . . . . . 256 LEU N . 27413 1 842 . 1 1 195 195 SER H H 1 9.278 0.00 . 1 . . . . . 257 SER H . 27413 1 843 . 1 1 195 195 SER C C 13 172.702 0.00 . 1 . . . . . 257 SER C . 27413 1 844 . 1 1 195 195 SER CA C 13 56.637 0.00 . 1 . . . . . 257 SER CA . 27413 1 845 . 1 1 195 195 SER CB C 13 65.699 0.00 . 1 . . . . . 257 SER CB . 27413 1 846 . 1 1 195 195 SER N N 15 117.059 0.01 . 1 . . . . . 257 SER N . 27413 1 847 . 1 1 196 196 GLY H H 1 8.945 0.00 . 1 . . . . . 258 GLY H . 27413 1 848 . 1 1 196 196 GLY C C 13 175.110 0.00 . 1 . . . . . 258 GLY C . 27413 1 849 . 1 1 196 196 GLY CA C 13 46.054 0.08 . 1 . . . . . 258 GLY CA . 27413 1 850 . 1 1 196 196 GLY N N 15 107.291 0.01 . 1 . . . . . 258 GLY N . 27413 1 851 . 1 1 197 197 TYR H H 1 8.802 0.00 . 1 . . . . . 259 TYR H . 27413 1 852 . 1 1 197 197 TYR C C 13 177.689 0.00 . 1 . . . . . 259 TYR C . 27413 1 853 . 1 1 197 197 TYR CA C 13 61.791 0.01 . 1 . . . . . 259 TYR CA . 27413 1 854 . 1 1 197 197 TYR CB C 13 38.797 0.04 . 1 . . . . . 259 TYR CB . 27413 1 855 . 1 1 197 197 TYR N N 15 127.802 0.01 . 1 . . . . . 259 TYR N . 27413 1 856 . 1 1 198 198 ALA H H 1 7.174 0.00 . 1 . . . . . 260 ALA H . 27413 1 857 . 1 1 198 198 ALA C C 13 175.983 0.00 . 1 . . . . . 260 ALA C . 27413 1 858 . 1 1 198 198 ALA CA C 13 53.792 0.01 . 1 . . . . . 260 ALA CA . 27413 1 859 . 1 1 198 198 ALA CB C 13 18.091 0.01 . 1 . . . . . 260 ALA CB . 27413 1 860 . 1 1 198 198 ALA N N 15 113.357 0.03 . 1 . . . . . 260 ALA N . 27413 1 861 . 1 1 199 199 ALA H H 1 6.803 0.00 . 1 . . . . . 261 ALA H . 27413 1 862 . 1 1 199 199 ALA C C 13 178.764 0.00 . 1 . . . . . 261 ALA C . 27413 1 863 . 1 1 199 199 ALA CA C 13 51.267 0.01 . 1 . . . . . 261 ALA CA . 27413 1 864 . 1 1 199 199 ALA CB C 13 18.745 0.08 . 1 . . . . . 261 ALA CB . 27413 1 865 . 1 1 199 199 ALA N N 15 114.588 0.01 . 1 . . . . . 261 ALA N . 27413 1 866 . 1 1 200 200 ASP H H 1 7.835 0.00 . 1 . . . . . 262 ASP H . 27413 1 867 . 1 1 200 200 ASP C C 13 178.027 0.00 . 1 . . . . . 262 ASP C . 27413 1 868 . 1 1 200 200 ASP CA C 13 55.657 0.01 . 1 . . . . . 262 ASP CA . 27413 1 869 . 1 1 200 200 ASP CB C 13 42.078 0.01 . 1 . . . . . 262 ASP CB . 27413 1 870 . 1 1 200 200 ASP N N 15 115.646 0.01 . 1 . . . . . 262 ASP N . 27413 1 871 . 1 1 201 201 GLU H H 1 7.875 0.00 . 1 . . . . . 263 GLU H . 27413 1 872 . 1 1 201 201 GLU C C 13 173.677 0.00 . 1 . . . . . 263 GLU C . 27413 1 873 . 1 1 201 201 GLU CA C 13 55.714 0.01 . 1 . . . . . 263 GLU CA . 27413 1 874 . 1 1 201 201 GLU CB C 13 29.273 0.01 . 1 . . . . . 263 GLU CB . 27413 1 875 . 1 1 201 201 GLU N N 15 117.227 0.02 . 1 . . . . . 263 GLU N . 27413 1 876 . 1 1 202 202 ILE H H 1 7.152 0.00 . 1 . . . . . 264 ILE H . 27413 1 877 . 1 1 202 202 ILE C C 13 172.334 0.00 . 1 . . . . . 264 ILE C . 27413 1 878 . 1 1 202 202 ILE CA C 13 58.552 0.00 . 1 . . . . . 264 ILE CA . 27413 1 879 . 1 1 202 202 ILE CB C 13 40.447 0.03 . 1 . . . . . 264 ILE CB . 27413 1 880 . 1 1 202 202 ILE N N 15 118.214 0.02 . 1 . . . . . 264 ILE N . 27413 1 881 . 1 1 203 203 THR H H 1 7.523 0.00 . 1 . . . . . 265 THR H . 27413 1 882 . 1 1 203 203 THR CA C 13 60.153 0.00 . 1 . . . . . 265 THR CA . 27413 1 883 . 1 1 203 203 THR CB C 13 70.757 0.00 . 1 . . . . . 265 THR CB . 27413 1 884 . 1 1 203 203 THR N N 15 115.047 0.01 . 1 . . . . . 265 THR N . 27413 1 885 . 1 1 204 204 HIS C C 13 178.500 0.00 . 1 . . . . . 266 HIS C . 27413 1 886 . 1 1 204 204 HIS CA C 13 58.301 0.00 . 1 . . . . . 266 HIS CA . 27413 1 887 . 1 1 204 204 HIS CB C 13 28.532 0.00 . 1 . . . . . 266 HIS CB . 27413 1 888 . 1 1 205 205 CYS H H 1 8.146 0.00 . 1 . . . . . 267 CYS H . 27413 1 889 . 1 1 205 205 CYS CA C 13 57.654 0.00 . 1 . . . . . 267 CYS CA . 27413 1 890 . 1 1 205 205 CYS CB C 13 27.549 0.00 . 1 . . . . . 267 CYS CB . 27413 1 891 . 1 1 205 205 CYS N N 15 119.918 0.02 . 1 . . . . . 267 CYS N . 27413 1 892 . 1 1 206 206 ILE C C 13 177.120 0.00 . 1 . . . . . 268 ILE C . 27413 1 893 . 1 1 206 206 ILE CA C 13 59.744 0.00 . 1 . . . . . 268 ILE CA . 27413 1 894 . 1 1 206 206 ILE CB C 13 37.617 0.00 . 1 . . . . . 268 ILE CB . 27413 1 895 . 1 1 207 207 ARG H H 1 8.097 0.00 . 1 . . . . . 269 ARG H . 27413 1 896 . 1 1 207 207 ARG N N 15 121.251 0.01 . 1 . . . . . 269 ARG N . 27413 1 897 . 1 1 208 208 PRO C C 13 176.807 0.00 . 1 . . . . . 270 PRO C . 27413 1 898 . 1 1 208 208 PRO CA C 13 62.645 0.00 . 1 . . . . . 270 PRO CA . 27413 1 899 . 1 1 208 208 PRO CB C 13 31.075 0.00 . 1 . . . . . 270 PRO CB . 27413 1 900 . 1 1 209 209 GLN H H 1 8.466 0.00 . 1 . . . . . 271 GLN H . 27413 1 901 . 1 1 209 209 GLN C C 13 175.206 0.00 . 1 . . . . . 271 GLN C . 27413 1 902 . 1 1 209 209 GLN CA C 13 56.094 0.04 . 1 . . . . . 271 GLN CA . 27413 1 903 . 1 1 209 209 GLN CB C 13 29.228 0.00 . 1 . . . . . 271 GLN CB . 27413 1 904 . 1 1 209 209 GLN N N 15 121.849 0.01 . 1 . . . . . 271 GLN N . 27413 1 905 . 1 1 210 210 ASP H H 1 8.185 0.00 . 1 . . . . . 272 ASP H . 27413 1 906 . 1 1 210 210 ASP C C 13 173.774 0.00 . 1 . . . . . 272 ASP C . 27413 1 907 . 1 1 210 210 ASP CA C 13 52.424 0.06 . 1 . . . . . 272 ASP CA . 27413 1 908 . 1 1 210 210 ASP CB C 13 38.577 0.00 . 1 . . . . . 272 ASP CB . 27413 1 909 . 1 1 210 210 ASP N N 15 124.234 0.01 . 1 . . . . . 272 ASP N . 27413 1 910 . 1 1 211 211 ILE H H 1 9.234 0.01 . 1 . . . . . 273 ILE H . 27413 1 911 . 1 1 211 211 ILE C C 13 176.816 0.00 . 1 . . . . . 273 ILE C . 27413 1 912 . 1 1 211 211 ILE CA C 13 62.067 0.60 . 1 . . . . . 273 ILE CA . 27413 1 913 . 1 1 211 211 ILE CB C 13 39.887 0.81 . 1 . . . . . 273 ILE CB . 27413 1 914 . 1 1 211 211 ILE N N 15 126.525 0.05 . 1 . . . . . 273 ILE N . 27413 1 915 . 1 1 212 212 LYS H H 1 8.459 0.01 . 1 . . . . . 274 LYS H . 27413 1 916 . 1 1 212 212 LYS C C 13 175.804 0.00 . 1 . . . . . 274 LYS C . 27413 1 917 . 1 1 212 212 LYS CA C 13 56.317 0.02 . 1 . . . . . 274 LYS CA . 27413 1 918 . 1 1 212 212 LYS CB C 13 32.409 0.00 . 1 . . . . . 274 LYS CB . 27413 1 919 . 1 1 212 212 LYS N N 15 122.496 0.06 . 1 . . . . . 274 LYS N . 27413 1 920 . 1 1 213 213 GLU H H 1 7.683 0.00 . 1 . . . . . 275 GLU H . 27413 1 921 . 1 1 213 213 GLU C C 13 176.289 0.00 . 1 . . . . . 275 GLU C . 27413 1 922 . 1 1 213 213 GLU CA C 13 55.129 1.69 . 1 . . . . . 275 GLU CA . 27413 1 923 . 1 1 213 213 GLU CB C 13 30.794 1.97 . 1 . . . . . 275 GLU CB . 27413 1 924 . 1 1 213 213 GLU N N 15 117.797 0.02 . 1 . . . . . 275 GLU N . 27413 1 925 . 1 1 214 214 ARG H H 1 8.565 0.00 . 1 . . . . . 276 ARG H . 27413 1 926 . 1 1 214 214 ARG C C 13 174.420 0.00 . 1 . . . . . 276 ARG C . 27413 1 927 . 1 1 214 214 ARG CA C 13 55.477 0.66 . 1 . . . . . 276 ARG CA . 27413 1 928 . 1 1 214 214 ARG CB C 13 31.487 1.87 . 1 . . . . . 276 ARG CB . 27413 1 929 . 1 1 214 214 ARG N N 15 128.511 0.01 . 1 . . . . . 276 ARG N . 27413 1 930 . 1 1 215 215 ARG H H 1 8.764 0.00 . 1 . . . . . 277 ARG H . 27413 1 931 . 1 1 215 215 ARG C C 13 177.992 0.00 . 1 . . . . . 277 ARG C . 27413 1 932 . 1 1 215 215 ARG CA C 13 55.957 1.78 . 1 . . . . . 277 ARG CA . 27413 1 933 . 1 1 215 215 ARG CB C 13 29.982 1.32 . 1 . . . . . 277 ARG CB . 27413 1 934 . 1 1 215 215 ARG N N 15 124.244 0.01 . 1 . . . . . 277 ARG N . 27413 1 935 . 1 1 216 216 ALA H H 1 7.868 0.00 . 1 . . . . . 278 ALA H . 27413 1 936 . 1 1 216 216 ALA C C 13 179.156 0.00 . 1 . . . . . 278 ALA C . 27413 1 937 . 1 1 216 216 ALA CA C 13 53.308 0.02 . 1 . . . . . 278 ALA CA . 27413 1 938 . 1 1 216 216 ALA CB C 13 17.508 0.01 . 1 . . . . . 278 ALA CB . 27413 1 939 . 1 1 216 216 ALA N N 15 122.569 0.05 . 1 . . . . . 278 ALA N . 27413 1 940 . 1 1 217 217 VAL H H 1 7.762 0.00 . 1 . . . . . 279 VAL H . 27413 1 941 . 1 1 217 217 VAL C C 13 174.975 0.00 . 1 . . . . . 279 VAL C . 27413 1 942 . 1 1 217 217 VAL CA C 13 58.204 1.18 . 1 . . . . . 279 VAL CA . 27413 1 943 . 1 1 217 217 VAL CB C 13 32.551 3.14 . 1 . . . . . 279 VAL CB . 27413 1 944 . 1 1 217 217 VAL N N 15 118.767 0.03 . 1 . . . . . 279 VAL N . 27413 1 945 . 1 1 218 218 ILE H H 1 9.376 0.00 . 1 . . . . . 280 ILE H . 27413 1 946 . 1 1 218 218 ILE C C 13 174.741 0.00 . 1 . . . . . 280 ILE C . 27413 1 947 . 1 1 218 218 ILE CA C 13 59.973 0.00 . 1 . . . . . 280 ILE CA . 27413 1 948 . 1 1 218 218 ILE CB C 13 38.669 0.03 . 1 . . . . . 280 ILE CB . 27413 1 949 . 1 1 218 218 ILE N N 15 125.873 0.02 . 1 . . . . . 280 ILE N . 27413 1 950 . 1 1 219 219 ILE H H 1 9.685 0.00 . 1 . . . . . 281 ILE H . 27413 1 951 . 1 1 219 219 ILE C C 13 175.906 0.00 . 1 . . . . . 281 ILE C . 27413 1 952 . 1 1 219 219 ILE CA C 13 60.310 0.00 . 1 . . . . . 281 ILE CA . 27413 1 953 . 1 1 219 219 ILE CB C 13 38.171 0.07 . 1 . . . . . 281 ILE CB . 27413 1 954 . 1 1 219 219 ILE N N 15 129.154 0.01 . 1 . . . . . 281 ILE N . 27413 1 955 . 1 1 220 220 LEU H H 1 9.637 0.01 . 1 . . . . . 282 LEU H . 27413 1 956 . 1 1 220 220 LEU C C 13 174.413 0.00 . 1 . . . . . 282 LEU C . 27413 1 957 . 1 1 220 220 LEU CA C 13 53.178 0.02 . 1 . . . . . 282 LEU CA . 27413 1 958 . 1 1 220 220 LEU CB C 13 41.531 0.02 . 1 . . . . . 282 LEU CB . 27413 1 959 . 1 1 220 220 LEU N N 15 132.289 0.03 . 1 . . . . . 282 LEU N . 27413 1 960 . 1 1 221 221 ARG H H 1 8.209 0.00 . 1 . . . . . 283 ARG H . 27413 1 961 . 1 1 221 221 ARG N N 15 119.094 0.01 . 1 . . . . . 283 ARG N . 27413 1 962 . 1 1 222 222 LYS C C 13 177.738 0.00 . 1 . . . . . 284 LYS C . 27413 1 963 . 1 1 222 222 LYS CA C 13 52.093 0.00 . 1 . . . . . 284 LYS CA . 27413 1 964 . 1 1 223 223 THR H H 1 7.864 0.00 . 1 . . . . . 285 THR H . 27413 1 965 . 1 1 223 223 THR C C 13 175.061 0.00 . 1 . . . . . 285 THR C . 27413 1 966 . 1 1 223 223 THR CA C 13 60.585 0.07 . 1 . . . . . 285 THR CA . 27413 1 967 . 1 1 223 223 THR CB C 13 68.720 0.00 . 1 . . . . . 285 THR CB . 27413 1 968 . 1 1 223 223 THR N N 15 120.319 0.04 . 1 . . . . . 285 THR N . 27413 1 969 . 1 1 224 224 ARG H H 1 8.387 0.00 . 1 . . . . . 286 ARG H . 27413 1 970 . 1 1 224 224 ARG C C 13 174.930 0.00 . 1 . . . . . 286 ARG C . 27413 1 971 . 1 1 224 224 ARG CA C 13 55.669 0.05 . 1 . . . . . 286 ARG CA . 27413 1 972 . 1 1 224 224 ARG CB C 13 27.464 0.00 . 1 . . . . . 286 ARG CB . 27413 1 973 . 1 1 224 224 ARG N N 15 121.926 0.02 . 1 . . . . . 286 ARG N . 27413 1 974 . 1 1 225 225 LEU H H 1 6.785 0.00 . 1 . . . . . 287 LEU H . 27413 1 975 . 1 1 225 225 LEU C C 13 174.707 0.00 . 1 . . . . . 287 LEU C . 27413 1 976 . 1 1 225 225 LEU CA C 13 54.777 0.00 . 1 . . . . . 287 LEU CA . 27413 1 977 . 1 1 225 225 LEU CB C 13 44.239 0.01 . 1 . . . . . 287 LEU CB . 27413 1 978 . 1 1 225 225 LEU N N 15 122.911 0.01 . 1 . . . . . 287 LEU N . 27413 1 979 . 1 1 226 226 ASP H H 1 7.707 0.00 . 1 . . . . . 288 ASP H . 27413 1 980 . 1 1 226 226 ASP C C 13 175.819 0.00 . 1 . . . . . 288 ASP C . 27413 1 981 . 1 1 226 226 ASP CA C 13 54.201 2.39 . 1 . . . . . 288 ASP CA . 27413 1 982 . 1 1 226 226 ASP CB C 13 40.472 0.00 . 1 . . . . . 288 ASP CB . 27413 1 983 . 1 1 226 226 ASP N N 15 116.544 0.01 . 1 . . . . . 288 ASP N . 27413 1 984 . 1 1 227 227 ALA H H 1 7.009 0.00 . 1 . . . . . 289 ALA H . 27413 1 985 . 1 1 227 227 ALA CA C 13 50.120 0.00 . 1 . . . . . 289 ALA CA . 27413 1 986 . 1 1 227 227 ALA CB C 13 18.463 0.00 . 1 . . . . . 289 ALA CB . 27413 1 987 . 1 1 227 227 ALA N N 15 123.320 0.01 . 1 . . . . . 289 ALA N . 27413 1 988 . 1 1 228 228 PRO C C 13 175.557 0.00 . 1 . . . . . 290 PRO C . 27413 1 989 . 1 1 228 228 PRO CA C 13 62.242 0.00 . 1 . . . . . 290 PRO CA . 27413 1 990 . 1 1 228 228 PRO CB C 13 31.218 0.00 . 1 . . . . . 290 PRO CB . 27413 1 991 . 1 1 229 229 ARG H H 1 8.184 0.00 . 1 . . . . . 291 ARG H . 27413 1 992 . 1 1 229 229 ARG C C 13 175.214 0.00 . 1 . . . . . 291 ARG C . 27413 1 993 . 1 1 229 229 ARG CA C 13 54.014 0.33 . 1 . . . . . 291 ARG CA . 27413 1 994 . 1 1 229 229 ARG CB C 13 28.959 0.00 . 1 . . . . . 291 ARG CB . 27413 1 995 . 1 1 229 229 ARG N N 15 120.792 0.02 . 1 . . . . . 291 ARG N . 27413 1 996 . 1 1 230 230 LEU H H 1 9.134 0.00 . 1 . . . . . 292 LEU H . 27413 1 997 . 1 1 230 230 LEU CA C 13 53.461 0.00 . 1 . . . . . 292 LEU CA . 27413 1 998 . 1 1 230 230 LEU CB C 13 42.501 0.00 . 1 . . . . . 292 LEU CB . 27413 1 999 . 1 1 230 230 LEU N N 15 127.877 0.01 . 1 . . . . . 292 LEU N . 27413 1 stop_ save_