data_50820 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50820 _Entry.Title ; 1H, 15N, 13C, backbone resonance assignment of the human apo Alkbh5, pH 6.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-10 _Entry.Accession_date 2021-03-10 _Entry.Last_release_date 2021-03-10 _Entry.Original_release_date 2021-03-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _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 1 _Entry.Generated_software_label $software_1 _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. . . 50820 2 Vincenzo Venditti . . . . 50820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 612 50820 '15N chemical shifts' 197 50820 '1H chemical shifts' 197 50820 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 . . 2021-09-01 2021-03-11 update BMRB 'update entry citation' 50820 1 . . 2021-04-01 2021-03-11 original author 'original release' 50820 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50821 'Zn/aKG bound human Alkbh5' 50820 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50820 _Citation.ID 1 _Citation.Name 'entry citation' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34407931 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; N 6-methyladenosine binding induces a metal-centered rearrangement that activates the human RNA demethylase Alkbh5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 7 _Citation.Journal_issue 34 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 eabi8215 _Citation.Page_last eabi8215 _Citation.Year 2021 _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 J. A. . . 50820 1 2 Trang Nguyen T. T. . . 50820 1 3 Balabhadra Khatiwada B. . . . 50820 1 4 Aayushi Singh A. . . . 50820 1 5 Vincenzo Venditti V. . . . 50820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50820 _Assembly.ID 1 _Assembly.Name 'Alkbh5 66-292' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 $entity_1 . . yes native no no . . . 50820 1 2 'Alkbh5 66-292, chain 2' 1 $entity_1 . . yes native no no . . . 50820 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' 50820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50820 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 1 _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' 50820 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 63 SER . 50820 1 2 64 HIS . 50820 1 3 65 MET . 50820 1 4 66 PRO . 50820 1 5 67 GLU . 50820 1 6 68 ARG . 50820 1 7 69 SER . 50820 1 8 70 ASP . 50820 1 9 71 TYR . 50820 1 10 72 GLU . 50820 1 11 73 GLU . 50820 1 12 74 GLN . 50820 1 13 75 GLN . 50820 1 14 76 LEU . 50820 1 15 77 GLN . 50820 1 16 78 LYS . 50820 1 17 79 GLU . 50820 1 18 80 GLU . 50820 1 19 81 GLU . 50820 1 20 82 ALA . 50820 1 21 83 ARG . 50820 1 22 84 LYS . 50820 1 23 85 VAL . 50820 1 24 86 LYS . 50820 1 25 87 SER . 50820 1 26 88 GLY . 50820 1 27 89 ILE . 50820 1 28 90 ARG . 50820 1 29 91 GLN . 50820 1 30 92 MET . 50820 1 31 93 ARG . 50820 1 32 94 LEU . 50820 1 33 95 PHE . 50820 1 34 96 SER . 50820 1 35 97 GLN . 50820 1 36 98 ASP . 50820 1 37 99 GLU . 50820 1 38 100 CYS . 50820 1 39 101 ALA . 50820 1 40 102 LYS . 50820 1 41 103 ILE . 50820 1 42 104 GLU . 50820 1 43 105 ALA . 50820 1 44 106 ARG . 50820 1 45 107 ILE . 50820 1 46 108 ASP . 50820 1 47 109 GLU . 50820 1 48 110 VAL . 50820 1 49 111 VAL . 50820 1 50 112 SER . 50820 1 51 113 ARG . 50820 1 52 114 ALA . 50820 1 53 115 GLU . 50820 1 54 116 LYS . 50820 1 55 117 GLY . 50820 1 56 118 LEU . 50820 1 57 119 TYR . 50820 1 58 120 ASN . 50820 1 59 121 GLU . 50820 1 60 122 HIS . 50820 1 61 123 THR . 50820 1 62 124 VAL . 50820 1 63 125 ASP . 50820 1 64 126 ARG . 50820 1 65 127 ALA . 50820 1 66 128 PRO . 50820 1 67 129 LEU . 50820 1 68 130 ARG . 50820 1 69 131 ASN . 50820 1 70 132 LYS . 50820 1 71 133 TYR . 50820 1 72 134 PHE . 50820 1 73 135 PHE . 50820 1 74 136 GLY . 50820 1 75 137 GLU . 50820 1 76 138 GLY . 50820 1 77 139 TYR . 50820 1 78 140 THR . 50820 1 79 141 TYR . 50820 1 80 142 GLY . 50820 1 81 143 ALA . 50820 1 82 144 GLN . 50820 1 83 145 LEU . 50820 1 84 146 GLN . 50820 1 85 147 LYS . 50820 1 86 148 ARG . 50820 1 87 149 GLY . 50820 1 88 150 PRO . 50820 1 89 151 GLY . 50820 1 90 152 GLN . 50820 1 91 153 GLU . 50820 1 92 154 ARG . 50820 1 93 155 LEU . 50820 1 94 156 TYR . 50820 1 95 157 PRO . 50820 1 96 158 PRO . 50820 1 97 159 GLY . 50820 1 98 160 ASP . 50820 1 99 161 VAL . 50820 1 100 162 ASP . 50820 1 101 163 GLU . 50820 1 102 164 ILE . 50820 1 103 165 PRO . 50820 1 104 166 GLU . 50820 1 105 167 TRP . 50820 1 106 168 VAL . 50820 1 107 169 HIS . 50820 1 108 170 GLN . 50820 1 109 171 LEU . 50820 1 110 172 VAL . 50820 1 111 173 ILE . 50820 1 112 174 GLN . 50820 1 113 175 LYS . 50820 1 114 176 LEU . 50820 1 115 177 VAL . 50820 1 116 178 GLU . 50820 1 117 179 HIS . 50820 1 118 180 ARG . 50820 1 119 181 VAL . 50820 1 120 182 ILE . 50820 1 121 183 PRO . 50820 1 122 184 GLU . 50820 1 123 185 GLY . 50820 1 124 186 PHE . 50820 1 125 187 VAL . 50820 1 126 188 ASN . 50820 1 127 189 SER . 50820 1 128 190 ALA . 50820 1 129 191 VAL . 50820 1 130 192 ILE . 50820 1 131 193 ASN . 50820 1 132 194 ASP . 50820 1 133 195 TYR . 50820 1 134 196 GLN . 50820 1 135 197 PRO . 50820 1 136 198 GLY . 50820 1 137 199 GLY . 50820 1 138 200 CYS . 50820 1 139 201 ILE . 50820 1 140 202 VAL . 50820 1 141 203 SER . 50820 1 142 204 HIS . 50820 1 143 205 VAL . 50820 1 144 206 ASP . 50820 1 145 207 PRO . 50820 1 146 208 ILE . 50820 1 147 209 HIS . 50820 1 148 210 ILE . 50820 1 149 211 PHE . 50820 1 150 212 GLU . 50820 1 151 213 ARG . 50820 1 152 214 PRO . 50820 1 153 215 ILE . 50820 1 154 216 VAL . 50820 1 155 217 SER . 50820 1 156 218 VAL . 50820 1 157 219 SER . 50820 1 158 220 PHE . 50820 1 159 221 PHE . 50820 1 160 222 SER . 50820 1 161 223 ASP . 50820 1 162 224 SER . 50820 1 163 225 ALA . 50820 1 164 226 LEU . 50820 1 165 227 CYS . 50820 1 166 228 PHE . 50820 1 167 229 GLY . 50820 1 168 230 CYS . 50820 1 169 231 LYS . 50820 1 170 232 PHE . 50820 1 171 233 GLN . 50820 1 172 234 PHE . 50820 1 173 235 LYS . 50820 1 174 236 PRO . 50820 1 175 237 ILE . 50820 1 176 238 ARG . 50820 1 177 239 VAL . 50820 1 178 240 SER . 50820 1 179 241 GLU . 50820 1 180 242 PRO . 50820 1 181 243 VAL . 50820 1 182 244 LEU . 50820 1 183 245 SER . 50820 1 184 246 LEU . 50820 1 185 247 PRO . 50820 1 186 248 VAL . 50820 1 187 249 ARG . 50820 1 188 250 ARG . 50820 1 189 251 GLY . 50820 1 190 252 SER . 50820 1 191 253 VAL . 50820 1 192 254 THR . 50820 1 193 255 VAL . 50820 1 194 256 LEU . 50820 1 195 257 SER . 50820 1 196 258 GLY . 50820 1 197 259 TYR . 50820 1 198 260 ALA . 50820 1 199 261 ALA . 50820 1 200 262 ASP . 50820 1 201 263 GLU . 50820 1 202 264 ILE . 50820 1 203 265 THR . 50820 1 204 266 HIS . 50820 1 205 267 CYS . 50820 1 206 268 ILE . 50820 1 207 269 ARG . 50820 1 208 270 PRO . 50820 1 209 271 GLN . 50820 1 210 272 ASP . 50820 1 211 273 ILE . 50820 1 212 274 LYS . 50820 1 213 275 GLU . 50820 1 214 276 ARG . 50820 1 215 277 ARG . 50820 1 216 278 ALA . 50820 1 217 279 VAL . 50820 1 218 280 ILE . 50820 1 219 281 ILE . 50820 1 220 282 LEU . 50820 1 221 283 ARG . 50820 1 222 284 LYS . 50820 1 223 285 THR . 50820 1 224 286 ARG . 50820 1 225 287 LEU . 50820 1 226 288 ASP . 50820 1 227 289 ALA . 50820 1 228 290 PRO . 50820 1 229 291 ARG . 50820 1 230 292 LEU . 50820 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 50820 1 . HIS 2 2 50820 1 . MET 3 3 50820 1 . PRO 4 4 50820 1 . GLU 5 5 50820 1 . ARG 6 6 50820 1 . SER 7 7 50820 1 . ASP 8 8 50820 1 . TYR 9 9 50820 1 . GLU 10 10 50820 1 . GLU 11 11 50820 1 . GLN 12 12 50820 1 . GLN 13 13 50820 1 . LEU 14 14 50820 1 . GLN 15 15 50820 1 . LYS 16 16 50820 1 . GLU 17 17 50820 1 . GLU 18 18 50820 1 . GLU 19 19 50820 1 . ALA 20 20 50820 1 . ARG 21 21 50820 1 . LYS 22 22 50820 1 . VAL 23 23 50820 1 . LYS 24 24 50820 1 . SER 25 25 50820 1 . GLY 26 26 50820 1 . ILE 27 27 50820 1 . ARG 28 28 50820 1 . GLN 29 29 50820 1 . MET 30 30 50820 1 . ARG 31 31 50820 1 . LEU 32 32 50820 1 . PHE 33 33 50820 1 . SER 34 34 50820 1 . GLN 35 35 50820 1 . ASP 36 36 50820 1 . GLU 37 37 50820 1 . CYS 38 38 50820 1 . ALA 39 39 50820 1 . LYS 40 40 50820 1 . ILE 41 41 50820 1 . GLU 42 42 50820 1 . ALA 43 43 50820 1 . ARG 44 44 50820 1 . ILE 45 45 50820 1 . ASP 46 46 50820 1 . GLU 47 47 50820 1 . VAL 48 48 50820 1 . VAL 49 49 50820 1 . SER 50 50 50820 1 . ARG 51 51 50820 1 . ALA 52 52 50820 1 . GLU 53 53 50820 1 . LYS 54 54 50820 1 . GLY 55 55 50820 1 . LEU 56 56 50820 1 . TYR 57 57 50820 1 . ASN 58 58 50820 1 . GLU 59 59 50820 1 . HIS 60 60 50820 1 . THR 61 61 50820 1 . VAL 62 62 50820 1 . ASP 63 63 50820 1 . ARG 64 64 50820 1 . ALA 65 65 50820 1 . PRO 66 66 50820 1 . LEU 67 67 50820 1 . ARG 68 68 50820 1 . ASN 69 69 50820 1 . LYS 70 70 50820 1 . TYR 71 71 50820 1 . PHE 72 72 50820 1 . PHE 73 73 50820 1 . GLY 74 74 50820 1 . GLU 75 75 50820 1 . GLY 76 76 50820 1 . TYR 77 77 50820 1 . THR 78 78 50820 1 . TYR 79 79 50820 1 . GLY 80 80 50820 1 . ALA 81 81 50820 1 . GLN 82 82 50820 1 . LEU 83 83 50820 1 . GLN 84 84 50820 1 . LYS 85 85 50820 1 . ARG 86 86 50820 1 . GLY 87 87 50820 1 . PRO 88 88 50820 1 . GLY 89 89 50820 1 . GLN 90 90 50820 1 . GLU 91 91 50820 1 . ARG 92 92 50820 1 . LEU 93 93 50820 1 . TYR 94 94 50820 1 . PRO 95 95 50820 1 . PRO 96 96 50820 1 . GLY 97 97 50820 1 . ASP 98 98 50820 1 . VAL 99 99 50820 1 . ASP 100 100 50820 1 . GLU 101 101 50820 1 . ILE 102 102 50820 1 . PRO 103 103 50820 1 . GLU 104 104 50820 1 . TRP 105 105 50820 1 . VAL 106 106 50820 1 . HIS 107 107 50820 1 . GLN 108 108 50820 1 . LEU 109 109 50820 1 . VAL 110 110 50820 1 . ILE 111 111 50820 1 . GLN 112 112 50820 1 . LYS 113 113 50820 1 . LEU 114 114 50820 1 . VAL 115 115 50820 1 . GLU 116 116 50820 1 . HIS 117 117 50820 1 . ARG 118 118 50820 1 . VAL 119 119 50820 1 . ILE 120 120 50820 1 . PRO 121 121 50820 1 . GLU 122 122 50820 1 . GLY 123 123 50820 1 . PHE 124 124 50820 1 . VAL 125 125 50820 1 . ASN 126 126 50820 1 . SER 127 127 50820 1 . ALA 128 128 50820 1 . VAL 129 129 50820 1 . ILE 130 130 50820 1 . ASN 131 131 50820 1 . ASP 132 132 50820 1 . TYR 133 133 50820 1 . GLN 134 134 50820 1 . PRO 135 135 50820 1 . GLY 136 136 50820 1 . GLY 137 137 50820 1 . CYS 138 138 50820 1 . ILE 139 139 50820 1 . VAL 140 140 50820 1 . SER 141 141 50820 1 . HIS 142 142 50820 1 . VAL 143 143 50820 1 . ASP 144 144 50820 1 . PRO 145 145 50820 1 . ILE 146 146 50820 1 . HIS 147 147 50820 1 . ILE 148 148 50820 1 . PHE 149 149 50820 1 . GLU 150 150 50820 1 . ARG 151 151 50820 1 . PRO 152 152 50820 1 . ILE 153 153 50820 1 . VAL 154 154 50820 1 . SER 155 155 50820 1 . VAL 156 156 50820 1 . SER 157 157 50820 1 . PHE 158 158 50820 1 . PHE 159 159 50820 1 . SER 160 160 50820 1 . ASP 161 161 50820 1 . SER 162 162 50820 1 . ALA 163 163 50820 1 . LEU 164 164 50820 1 . CYS 165 165 50820 1 . PHE 166 166 50820 1 . GLY 167 167 50820 1 . CYS 168 168 50820 1 . LYS 169 169 50820 1 . PHE 170 170 50820 1 . GLN 171 171 50820 1 . PHE 172 172 50820 1 . LYS 173 173 50820 1 . PRO 174 174 50820 1 . ILE 175 175 50820 1 . ARG 176 176 50820 1 . VAL 177 177 50820 1 . SER 178 178 50820 1 . GLU 179 179 50820 1 . PRO 180 180 50820 1 . VAL 181 181 50820 1 . LEU 182 182 50820 1 . SER 183 183 50820 1 . LEU 184 184 50820 1 . PRO 185 185 50820 1 . VAL 186 186 50820 1 . ARG 187 187 50820 1 . ARG 188 188 50820 1 . GLY 189 189 50820 1 . SER 190 190 50820 1 . VAL 191 191 50820 1 . THR 192 192 50820 1 . VAL 193 193 50820 1 . LEU 194 194 50820 1 . SER 195 195 50820 1 . GLY 196 196 50820 1 . TYR 197 197 50820 1 . ALA 198 198 50820 1 . ALA 199 199 50820 1 . ASP 200 200 50820 1 . GLU 201 201 50820 1 . ILE 202 202 50820 1 . THR 203 203 50820 1 . HIS 204 204 50820 1 . CYS 205 205 50820 1 . ILE 206 206 50820 1 . ARG 207 207 50820 1 . PRO 208 208 50820 1 . GLN 209 209 50820 1 . ASP 210 210 50820 1 . ILE 211 211 50820 1 . LYS 212 212 50820 1 . GLU 213 213 50820 1 . ARG 214 214 50820 1 . ARG 215 215 50820 1 . ALA 216 216 50820 1 . VAL 217 217 50820 1 . ILE 218 218 50820 1 . ILE 219 219 50820 1 . LEU 220 220 50820 1 . ARG 221 221 50820 1 . LYS 222 222 50820 1 . THR 223 223 50820 1 . ARG 224 224 50820 1 . LEU 225 225 50820 1 . ASP 226 226 50820 1 . ALA 227 227 50820 1 . PRO 228 228 50820 1 . ARG 229 229 50820 1 . LEU 230 230 50820 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50820 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50820 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50820 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'Modified pET21a' . . 'Incorporated a HIS-Tag, N-terminal domain from the enzyme, EIN, and a TEV recognition cleavage site.' 50820 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50820 _Sample.ID 1 _Sample.Name 'apo Alkbh5, pH 6.0' _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 $entity_1 . . 0.45 . . mM . . . . 50820 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 50820 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50820 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50820 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50820 1 6 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 50820 1 7 'Glutamic Acid' 'natural abundance' . . . . . . 50 . . mM . . . . 50820 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 50820 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 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 50820 1 pH 6.0 . pH 50820 1 pressure 1 . atm 50820 1 temperature 273 . K 50820 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50820 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50820 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50820 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50820 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50820 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50820 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50820 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50820 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50820 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50820 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 50820 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chem shift reference 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 internal indirect 0.251449530 . . . . . 50820 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 50820 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . 50820 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 50820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chemical shifts 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' . . . 50820 1 2 '3D HNCO' . . . 50820 1 3 '3D HNCA' . . . 50820 1 5 '3D HN(CO)CA' . . . 50820 1 6 '3D HN(COCA)CB' . . . 50820 1 7 '3D HNCACB' . . . 50820 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 $software_1 . . 50820 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 13 176.789 0.00 . 1 . . . . . 66 PRO CO . 50820 1 2 . 1 . 1 4 4 PRO CA C 13 62.770 0.00 . 1 . . . . . 66 PRO CA . 50820 1 3 . 1 . 1 4 4 PRO CB C 13 31.102 0.11 . 1 . . . . . 66 PRO CB . 50820 1 4 . 1 . 1 5 5 GLU H H 1 8.468 0.00 . 1 . . . . . 67 GLU H . 50820 1 5 . 1 . 1 5 5 GLU C C 13 176.491 0.00 . 1 . . . . . 67 GLU CO . 50820 1 6 . 1 . 1 5 5 GLU CA C 13 56.124 0.01 . 1 . . . . . 67 GLU CA . 50820 1 7 . 1 . 1 5 5 GLU CB C 13 29.357 0.03 . 1 . . . . . 67 GLU CB . 50820 1 8 . 1 . 1 5 5 GLU N N 15 121.814 0.02 . 1 . . . . . 67 GLU N . 50820 1 9 . 1 . 1 6 6 ARG H H 1 8.231 0.00 . 1 . . . . . 68 ARG H . 50820 1 10 . 1 . 1 6 6 ARG C C 13 176.363 0.00 . 1 . . . . . 68 ARG CO . 50820 1 11 . 1 . 1 6 6 ARG CA C 13 55.499 0.01 . 1 . . . . . 68 ARG CA . 50820 1 12 . 1 . 1 6 6 ARG CB C 13 30.169 0.07 . 1 . . . . . 68 ARG CB . 50820 1 13 . 1 . 1 6 6 ARG N N 15 122.282 0.01 . 1 . . . . . 68 ARG N . 50820 1 14 . 1 . 1 7 7 SER H H 1 8.474 0.00 . 1 . . . . . 69 SER H . 50820 1 15 . 1 . 1 7 7 SER C C 13 174.547 0.00 . 1 . . . . . 69 SER CO . 50820 1 16 . 1 . 1 7 7 SER CA C 13 57.835 0.01 . 1 . . . . . 69 SER CA . 50820 1 17 . 1 . 1 7 7 SER CB C 13 63.397 0.04 . 1 . . . . . 69 SER CB . 50820 1 18 . 1 . 1 7 7 SER N N 15 118.193 0.01 . 1 . . . . . 69 SER N . 50820 1 19 . 1 . 1 8 8 ASP H H 1 8.408 0.00 . 1 . . . . . 70 ASP H . 50820 1 20 . 1 . 1 8 8 ASP C C 13 176.966 0.00 . 1 . . . . . 70 ASP CO . 50820 1 21 . 1 . 1 8 8 ASP CA C 13 55.114 0.01 . 1 . . . . . 70 ASP CA . 50820 1 22 . 1 . 1 8 8 ASP CB C 13 40.031 0.10 . 1 . . . . . 70 ASP CB . 50820 1 23 . 1 . 1 8 8 ASP N N 15 122.784 0.06 . 1 . . . . . 70 ASP N . 50820 1 24 . 1 . 1 9 9 TYR H H 1 8.023 0.00 . 1 . . . . . 71 TYR H . 50820 1 25 . 1 . 1 9 9 TYR C C 13 177.048 0.00 . 1 . . . . . 71 TYR CO . 50820 1 26 . 1 . 1 9 9 TYR CA C 13 59.539 0.05 . 1 . . . . . 71 TYR CA . 50820 1 27 . 1 . 1 9 9 TYR CB C 13 37.712 0.08 . 1 . . . . . 71 TYR CB . 50820 1 28 . 1 . 1 9 9 TYR N N 15 120.754 0.01 . 1 . . . . . 71 TYR N . 50820 1 29 . 1 . 1 10 10 GLU H H 1 8.077 0.00 . 1 . . . . . 72 GLU H . 50820 1 30 . 1 . 1 10 10 GLU C C 13 178.325 0.00 . 1 . . . . . 72 GLU CO . 50820 1 31 . 1 . 1 10 10 GLU CA C 13 57.988 0.01 . 1 . . . . . 72 GLU CA . 50820 1 32 . 1 . 1 10 10 GLU CB C 13 28.941 0.14 . 1 . . . . . 72 GLU CB . 50820 1 33 . 1 . 1 10 10 GLU N N 15 121.284 0.03 . 1 . . . . . 72 GLU N . 50820 1 34 . 1 . 1 11 11 GLU H H 1 8.229 0.00 . 1 . . . . . 73 GLU H . 50820 1 35 . 1 . 1 11 11 GLU C C 13 178.391 0.00 . 1 . . . . . 73 GLU CO . 50820 1 36 . 1 . 1 11 11 GLU CA C 13 58.193 0.05 . 1 . . . . . 73 GLU CA . 50820 1 37 . 1 . 1 11 11 GLU CB C 13 28.649 0.05 . 1 . . . . . 73 GLU CB . 50820 1 38 . 1 . 1 11 11 GLU N N 15 121.344 0.07 . 1 . . . . . 73 GLU N . 50820 1 39 . 1 . 1 12 12 GLN H H 1 8.146 0.00 . 1 . . . . . 74 GLN H . 50820 1 40 . 1 . 1 12 12 GLN C C 13 178.275 0.00 . 1 . . . . . 74 GLN CO . 50820 1 41 . 1 . 1 12 12 GLN CA C 13 57.650 0.01 . 1 . . . . . 74 GLN CA . 50820 1 42 . 1 . 1 12 12 GLN CB C 13 27.617 0.11 . 1 . . . . . 74 GLN CB . 50820 1 43 . 1 . 1 12 12 GLN N N 15 119.950 0.02 . 1 . . . . . 74 GLN N . 50820 1 44 . 1 . 1 13 13 GLN H H 1 7.995 0.02 . 1 . . . . . 75 GLN H . 50820 1 45 . 1 . 1 13 13 GLN C C 13 177.962 0.00 . 1 . . . . . 75 GLN CO . 50820 1 46 . 1 . 1 13 13 GLN CA C 13 57.441 0.01 . 1 . . . . . 75 GLN CA . 50820 1 47 . 1 . 1 13 13 GLN CB C 13 27.427 0.01 . 1 . . . . . 75 GLN CB . 50820 1 48 . 1 . 1 13 13 GLN N N 15 120.606 0.05 . 1 . . . . . 75 GLN N . 50820 1 49 . 1 . 1 14 14 LEU H H 1 7.900 0.01 . 1 . . . . . 76 LEU H . 50820 1 50 . 1 . 1 14 14 LEU C C 13 179.474 0.00 . 1 . . . . . 76 LEU CO . 50820 1 51 . 1 . 1 14 14 LEU CA C 13 56.997 0.02 . 1 . . . . . 76 LEU CA . 50820 1 52 . 1 . 1 14 14 LEU CB C 13 40.601 0.03 . 1 . . . . . 76 LEU CB . 50820 1 53 . 1 . 1 14 14 LEU N N 15 121.730 0.04 . 1 . . . . . 76 LEU N . 50820 1 54 . 1 . 1 15 15 GLN H H 1 8.005 0.01 . 1 . . . . . 77 GLN H . 50820 1 55 . 1 . 1 15 15 GLN C C 13 178.571 0.00 . 1 . . . . . 77 GLN CO . 50820 1 56 . 1 . 1 15 15 GLN CA C 13 57.863 0.02 . 1 . . . . . 77 GLN CA . 50820 1 57 . 1 . 1 15 15 GLN CB C 13 27.398 0.06 . 1 . . . . . 77 GLN CB . 50820 1 58 . 1 . 1 15 15 GLN N N 15 120.050 0.02 . 1 . . . . . 77 GLN N . 50820 1 59 . 1 . 1 16 16 LYS H H 1 7.897 0.00 . 1 . . . . . 78 LYS H . 50820 1 60 . 1 . 1 16 16 LYS C C 13 178.496 0.00 . 1 . . . . . 78 LYS CO . 50820 1 61 . 1 . 1 16 16 LYS CA C 13 59.007 0.00 . 1 . . . . . 78 LYS CA . 50820 1 62 . 1 . 1 16 16 LYS CB C 13 31.304 0.04 . 1 . . . . . 78 LYS CB . 50820 1 63 . 1 . 1 16 16 LYS N N 15 121.990 0.03 . 1 . . . . . 78 LYS N . 50820 1 64 . 1 . 1 17 17 GLU H H 1 8.010 0.01 . 1 . . . . . 79 GLU H . 50820 1 65 . 1 . 1 17 17 GLU C C 13 179.243 0.00 . 1 . . . . . 79 GLU CO . 50820 1 66 . 1 . 1 17 17 GLU CA C 13 58.575 0.03 . 1 . . . . . 79 GLU CA . 50820 1 67 . 1 . 1 17 17 GLU CB C 13 28.321 0.03 . 1 . . . . . 79 GLU CB . 50820 1 68 . 1 . 1 17 17 GLU N N 15 119.748 0.01 . 1 . . . . . 79 GLU N . 50820 1 69 . 1 . 1 18 18 GLU H H 1 7.907 0.00 . 1 . . . . . 80 GLU H . 50820 1 70 . 1 . 1 18 18 GLU C C 13 178.779 0.00 . 1 . . . . . 80 GLU CO . 50820 1 71 . 1 . 1 18 18 GLU CA C 13 58.261 0.10 . 1 . . . . . 80 GLU CA . 50820 1 72 . 1 . 1 18 18 GLU CB C 13 28.300 0.05 . 1 . . . . . 80 GLU CB . 50820 1 73 . 1 . 1 18 18 GLU N N 15 120.635 0.01 . 1 . . . . . 80 GLU N . 50820 1 74 . 1 . 1 19 19 GLU H H 1 8.046 0.00 . 1 . . . . . 81 GLU H . 50820 1 75 . 1 . 1 19 19 GLU C C 13 178.437 0.00 . 1 . . . . . 81 GLU CO . 50820 1 76 . 1 . 1 19 19 GLU CA C 13 59.209 0.02 . 1 . . . . . 81 GLU CA . 50820 1 77 . 1 . 1 19 19 GLU CB C 13 28.107 0.12 . 1 . . . . . 81 GLU CB . 50820 1 78 . 1 . 1 19 19 GLU N N 15 121.345 0.01 . 1 . . . . . 81 GLU N . 50820 1 79 . 1 . 1 20 20 ALA H H 1 8.337 0.00 . 1 . . . . . 82 ALA H . 50820 1 80 . 1 . 1 20 20 ALA C C 13 179.371 0.00 . 1 . . . . . 82 ALA CO . 50820 1 81 . 1 . 1 20 20 ALA CA C 13 55.253 0.01 . 1 . . . . . 82 ALA CA . 50820 1 82 . 1 . 1 20 20 ALA CB C 13 17.066 0.01 . 1 . . . . . 82 ALA CB . 50820 1 83 . 1 . 1 20 20 ALA N N 15 121.112 0.00 . 1 . . . . . 82 ALA N . 50820 1 84 . 1 . 1 21 21 ARG H H 1 7.550 0.00 . 1 . . . . . 83 ARG H . 50820 1 85 . 1 . 1 21 21 ARG C C 13 179.543 0.00 . 1 . . . . . 83 ARG CO . 50820 1 86 . 1 . 1 21 21 ARG CA C 13 59.435 0.00 . 1 . . . . . 83 ARG CA . 50820 1 87 . 1 . 1 21 21 ARG CB C 13 29.069 0.05 . 1 . . . . . 83 ARG CB . 50820 1 88 . 1 . 1 21 21 ARG N N 15 117.610 0.02 . 1 . . . . . 83 ARG N . 50820 1 89 . 1 . 1 22 22 LYS H H 1 7.392 0.00 . 1 . . . . . 84 LYS H . 50820 1 90 . 1 . 1 22 22 LYS C C 13 180.056 0.00 . 1 . . . . . 84 LYS CO . 50820 1 91 . 1 . 1 22 22 LYS CA C 13 59.193 0.00 . 1 . . . . . 84 LYS CA . 50820 1 92 . 1 . 1 22 22 LYS CB C 13 30.019 0.04 . 1 . . . . . 84 LYS CB . 50820 1 93 . 1 . 1 22 22 LYS N N 15 120.827 0.01 . 1 . . . . . 84 LYS N . 50820 1 94 . 1 . 1 23 23 VAL H H 1 8.026 0.00 . 1 . . . . . 85 VAL H . 50820 1 95 . 1 . 1 23 23 VAL C C 13 177.745 0.00 . 1 . . . . . 85 VAL CO . 50820 1 96 . 1 . 1 23 23 VAL CA C 13 66.539 0.01 . 1 . . . . . 85 VAL CA . 50820 1 97 . 1 . 1 23 23 VAL CB C 13 30.211 0.04 . 1 . . . . . 85 VAL CB . 50820 1 98 . 1 . 1 23 23 VAL N N 15 120.742 0.02 . 1 . . . . . 85 VAL N . 50820 1 99 . 1 . 1 24 24 LYS H H 1 8.003 0.00 . 1 . . . . . 86 LYS H . 50820 1 100 . 1 . 1 24 24 LYS C C 13 178.742 0.00 . 1 . . . . . 86 LYS CO . 50820 1 101 . 1 . 1 24 24 LYS CA C 13 59.415 0.01 . 1 . . . . . 86 LYS CA . 50820 1 102 . 1 . 1 24 24 LYS CB C 13 31.236 0.05 . 1 . . . . . 86 LYS CB . 50820 1 103 . 1 . 1 24 24 LYS N N 15 117.363 0.01 . 1 . . . . . 86 LYS N . 50820 1 104 . 1 . 1 25 25 SER H H 1 7.324 0.00 . 1 . . . . . 87 SER H . 50820 1 105 . 1 . 1 25 25 SER C C 13 174.831 0.00 . 1 . . . . . 87 SER CO . 50820 1 106 . 1 . 1 25 25 SER CA C 13 60.627 0.01 . 1 . . . . . 87 SER CA . 50820 1 107 . 1 . 1 25 25 SER CB C 13 62.733 0.04 . 1 . . . . . 87 SER CB . 50820 1 108 . 1 . 1 25 25 SER N N 15 113.270 0.01 . 1 . . . . . 87 SER N . 50820 1 109 . 1 . 1 26 26 GLY H H 1 7.759 0.00 . 1 . . . . . 88 GLY H . 50820 1 110 . 1 . 1 26 26 GLY C C 13 172.082 0.00 . 1 . . . . . 88 GLY CO . 50820 1 111 . 1 . 1 26 26 GLY CA C 13 44.654 0.03 . 1 . . . . . 88 GLY CA . 50820 1 112 . 1 . 1 26 26 GLY N N 15 110.682 0.01 . 1 . . . . . 88 GLY N . 50820 1 113 . 1 . 1 27 27 ILE H H 1 7.072 0.00 . 1 . . . . . 89 ILE H . 50820 1 114 . 1 . 1 27 27 ILE C C 13 176.100 0.00 . 1 . . . . . 89 ILE CO . 50820 1 115 . 1 . 1 27 27 ILE CA C 13 59.704 0.01 . 1 . . . . . 89 ILE CA . 50820 1 116 . 1 . 1 27 27 ILE CB C 13 40.007 0.01 . 1 . . . . . 89 ILE CB . 50820 1 117 . 1 . 1 27 27 ILE N N 15 119.087 0.01 . 1 . . . . . 89 ILE N . 50820 1 118 . 1 . 1 28 28 ARG H H 1 8.298 0.00 . 1 . . . . . 90 ARG H . 50820 1 119 . 1 . 1 28 28 ARG C C 13 174.703 0.00 . 1 . . . . . 90 ARG CO . 50820 1 120 . 1 . 1 28 28 ARG CA C 13 54.386 0.03 . 1 . . . . . 90 ARG CA . 50820 1 121 . 1 . 1 28 28 ARG CB C 13 32.532 0.01 . 1 . . . . . 90 ARG CB . 50820 1 122 . 1 . 1 28 28 ARG N N 15 126.665 0.01 . 1 . . . . . 90 ARG N . 50820 1 123 . 1 . 1 29 29 GLN H H 1 8.693 0.00 . 1 . . . . . 91 GLN H . 50820 1 124 . 1 . 1 29 29 GLN C C 13 175.168 0.00 . 1 . . . . . 91 GLN CO . 50820 1 125 . 1 . 1 29 29 GLN CA C 13 54.170 0.06 . 1 . . . . . 91 GLN CA . 50820 1 126 . 1 . 1 29 29 GLN CB C 13 33.244 0.08 . 1 . . . . . 91 GLN CB . 50820 1 127 . 1 . 1 29 29 GLN N N 15 123.318 0.03 . 1 . . . . . 91 GLN N . 50820 1 128 . 1 . 1 30 30 MET H H 1 8.613 0.00 . 1 . . . . . 92 MET H . 50820 1 129 . 1 . 1 30 30 MET C C 13 174.743 0.00 . 1 . . . . . 92 MET CO . 50820 1 130 . 1 . 1 30 30 MET CA C 13 54.378 0.00 . 1 . . . . . 92 MET CA . 50820 1 131 . 1 . 1 30 30 MET CB C 13 35.453 0.00 . 1 . . . . . 92 MET CB . 50820 1 132 . 1 . 1 30 30 MET N N 15 120.613 0.02 . 1 . . . . . 92 MET N . 50820 1 133 . 1 . 1 31 31 ARG H H 1 8.999 0.01 . 1 . . . . . 93 ARG H . 50820 1 134 . 1 . 1 31 31 ARG C C 13 174.955 0.00 . 1 . . . . . 93 ARG CO . 50820 1 135 . 1 . 1 31 31 ARG CA C 13 55.677 0.02 . 1 . . . . . 93 ARG CA . 50820 1 136 . 1 . 1 31 31 ARG CB C 13 27.601 0.03 . 1 . . . . . 93 ARG CB . 50820 1 137 . 1 . 1 31 31 ARG N N 15 127.499 0.02 . 1 . . . . . 93 ARG N . 50820 1 138 . 1 . 1 32 32 LEU H H 1 6.840 0.00 . 1 . . . . . 94 LEU H . 50820 1 139 . 1 . 1 32 32 LEU C C 13 174.686 0.00 . 1 . . . . . 94 LEU CO . 50820 1 140 . 1 . 1 32 32 LEU CA C 13 54.775 0.01 . 1 . . . . . 94 LEU CA . 50820 1 141 . 1 . 1 32 32 LEU CB C 13 44.262 0.05 . 1 . . . . . 94 LEU CB . 50820 1 142 . 1 . 1 32 32 LEU N N 15 123.063 0.01 . 1 . . . . . 94 LEU N . 50820 1 143 . 1 . 1 33 33 PHE H H 1 7.727 0.00 . 1 . . . . . 95 PHE H . 50820 1 144 . 1 . 1 33 33 PHE C C 13 175.860 0.00 . 1 . . . . . 95 PHE CO . 50820 1 145 . 1 . 1 33 33 PHE CA C 13 56.639 0.00 . 1 . . . . . 95 PHE CA . 50820 1 146 . 1 . 1 33 33 PHE CB C 13 40.481 0.05 . 1 . . . . . 95 PHE CB . 50820 1 147 . 1 . 1 33 33 PHE N N 15 116.705 0.01 . 1 . . . . . 95 PHE N . 50820 1 148 . 1 . 1 34 34 SER H H 1 9.704 0.00 . 1 . . . . . 96 SER H . 50820 1 149 . 1 . 1 34 34 SER C C 13 175.490 0.00 . 1 . . . . . 96 SER CO . 50820 1 150 . 1 . 1 34 34 SER CA C 13 56.812 0.02 . 1 . . . . . 96 SER CA . 50820 1 151 . 1 . 1 34 34 SER CB C 13 64.809 0.08 . 1 . . . . . 96 SER CB . 50820 1 152 . 1 . 1 34 34 SER N N 15 122.753 0.00 . 1 . . . . . 96 SER N . 50820 1 153 . 1 . 1 35 35 GLN H H 1 9.151 0.00 . 1 . . . . . 97 GLN H . 50820 1 154 . 1 . 1 35 35 GLN C C 13 178.106 0.00 . 1 . . . . . 97 GLN CO . 50820 1 155 . 1 . 1 35 35 GLN CA C 13 60.474 0.01 . 1 . . . . . 97 GLN CA . 50820 1 156 . 1 . 1 35 35 GLN CB C 13 27.048 0.01 . 1 . . . . . 97 GLN CB . 50820 1 157 . 1 . 1 35 35 GLN N N 15 122.640 0.01 . 1 . . . . . 97 GLN N . 50820 1 158 . 1 . 1 36 36 ASP H H 1 8.355 0.00 . 1 . . . . . 98 ASP H . 50820 1 159 . 1 . 1 36 36 ASP C C 13 179.227 0.00 . 1 . . . . . 98 ASP CO . 50820 1 160 . 1 . 1 36 36 ASP CA C 13 56.846 0.02 . 1 . . . . . 98 ASP CA . 50820 1 161 . 1 . 1 36 36 ASP CB C 13 40.188 0.02 . 1 . . . . . 98 ASP CB . 50820 1 162 . 1 . 1 36 36 ASP N N 15 118.746 0.01 . 1 . . . . . 98 ASP N . 50820 1 163 . 1 . 1 37 37 GLU H H 1 7.694 0.00 . 1 . . . . . 99 GLU H . 50820 1 164 . 1 . 1 37 37 GLU C C 13 180.798 0.00 . 1 . . . . . 99 GLU CO . 50820 1 165 . 1 . 1 37 37 GLU CA C 13 58.840 0.01 . 1 . . . . . 99 GLU CA . 50820 1 166 . 1 . 1 37 37 GLU CB C 13 29.422 0.04 . 1 . . . . . 99 GLU CB . 50820 1 167 . 1 . 1 37 37 GLU N N 15 120.709 0.01 . 1 . . . . . 99 GLU N . 50820 1 168 . 1 . 1 38 38 CYS H H 1 8.885 0.00 . 1 . . . . . 100 CYS H . 50820 1 169 . 1 . 1 38 38 CYS C C 13 175.633 0.00 . 1 . . . . . 100 CYS CO . 50820 1 170 . 1 . 1 38 38 CYS CA C 13 64.099 0.01 . 1 . . . . . 100 CYS CA . 50820 1 171 . 1 . 1 38 38 CYS CB C 13 25.505 0.01 . 1 . . . . . 100 CYS CB . 50820 1 172 . 1 . 1 38 38 CYS N N 15 117.974 0.02 . 1 . . . . . 100 CYS N . 50820 1 173 . 1 . 1 39 39 ALA H H 1 7.935 0.00 . 1 . . . . . 101 ALA H . 50820 1 174 . 1 . 1 39 39 ALA C C 13 180.689 0.00 . 1 . . . . . 101 ALA CO . 50820 1 175 . 1 . 1 39 39 ALA CA C 13 54.661 0.01 . 1 . . . . . 101 ALA CA . 50820 1 176 . 1 . 1 39 39 ALA CB C 13 16.768 0.01 . 1 . . . . . 101 ALA CB . 50820 1 177 . 1 . 1 39 39 ALA N N 15 121.608 0.01 . 1 . . . . . 101 ALA N . 50820 1 178 . 1 . 1 40 40 LYS H H 1 7.227 0.00 . 1 . . . . . 102 LYS H . 50820 1 179 . 1 . 1 40 40 LYS C C 13 178.823 0.00 . 1 . . . . . 102 LYS CO . 50820 1 180 . 1 . 1 40 40 LYS CA C 13 58.679 0.03 . 1 . . . . . 102 LYS CA . 50820 1 181 . 1 . 1 40 40 LYS CB C 13 31.198 0.01 . 1 . . . . . 102 LYS CB . 50820 1 182 . 1 . 1 40 40 LYS N N 15 118.826 0.01 . 1 . . . . . 102 LYS N . 50820 1 183 . 1 . 1 41 41 ILE H H 1 7.386 0.00 . 1 . . . . . 103 ILE H . 50820 1 184 . 1 . 1 41 41 ILE C C 13 177.339 0.00 . 1 . . . . . 103 ILE CO . 50820 1 185 . 1 . 1 41 41 ILE CA C 13 64.724 0.01 . 1 . . . . . 103 ILE CA . 50820 1 186 . 1 . 1 41 41 ILE CB C 13 36.965 0.04 . 1 . . . . . 103 ILE CB . 50820 1 187 . 1 . 1 41 41 ILE N N 15 121.648 0.01 . 1 . . . . . 103 ILE N . 50820 1 188 . 1 . 1 42 42 GLU H H 1 8.617 0.00 . 1 . . . . . 104 GLU H . 50820 1 189 . 1 . 1 42 42 GLU C C 13 177.676 0.00 . 1 . . . . . 104 GLU CO . 50820 1 190 . 1 . 1 42 42 GLU CA C 13 58.514 0.03 . 1 . . . . . 104 GLU CA . 50820 1 191 . 1 . 1 42 42 GLU CB C 13 27.314 0.04 . 1 . . . . . 104 GLU CB . 50820 1 192 . 1 . 1 42 42 GLU N N 15 120.917 0.01 . 1 . . . . . 104 GLU N . 50820 1 193 . 1 . 1 43 43 ALA H H 1 7.095 0.00 . 1 . . . . . 105 ALA H . 50820 1 194 . 1 . 1 43 43 ALA C C 13 181.080 0.00 . 1 . . . . . 105 ALA CO . 50820 1 195 . 1 . 1 43 43 ALA CA C 13 54.356 0.02 . 1 . . . . . 105 ALA CA . 50820 1 196 . 1 . 1 43 43 ALA CB C 13 16.653 0.05 . 1 . . . . . 105 ALA CB . 50820 1 197 . 1 . 1 43 43 ALA N N 15 119.731 0.02 . 1 . . . . . 105 ALA N . 50820 1 198 . 1 . 1 44 44 ARG H H 1 6.765 0.00 . 1 . . . . . 106 ARG H . 50820 1 199 . 1 . 1 44 44 ARG C C 13 178.840 0.00 . 1 . . . . . 106 ARG CO . 50820 1 200 . 1 . 1 44 44 ARG CA C 13 56.088 0.03 . 1 . . . . . 106 ARG CA . 50820 1 201 . 1 . 1 44 44 ARG CB C 13 25.078 0.00 . 1 . . . . . 106 ARG CB . 50820 1 202 . 1 . 1 44 44 ARG N N 15 118.272 0.02 . 1 . . . . . 106 ARG N . 50820 1 203 . 1 . 1 45 45 ILE H H 1 7.976 0.00 . 1 . . . . . 107 ILE H . 50820 1 204 . 1 . 1 45 45 ILE C C 13 177.723 0.00 . 1 . . . . . 107 ILE CO . 50820 1 205 . 1 . 1 45 45 ILE CA C 13 66.270 0.01 . 1 . . . . . 107 ILE CA . 50820 1 206 . 1 . 1 45 45 ILE CB C 13 36.239 0.09 . 1 . . . . . 107 ILE CB . 50820 1 207 . 1 . 1 45 45 ILE N N 15 122.163 0.01 . 1 . . . . . 107 ILE N . 50820 1 208 . 1 . 1 46 46 ASP H H 1 7.962 0.00 . 1 . . . . . 108 ASP H . 50820 1 209 . 1 . 1 46 46 ASP C C 13 179.178 0.00 . 1 . . . . . 108 ASP CO . 50820 1 210 . 1 . 1 46 46 ASP CA C 13 57.423 0.01 . 1 . . . . . 108 ASP CA . 50820 1 211 . 1 . 1 46 46 ASP CB C 13 38.944 0.05 . 1 . . . . . 108 ASP CB . 50820 1 212 . 1 . 1 46 46 ASP N N 15 119.469 0.01 . 1 . . . . . 108 ASP N . 50820 1 213 . 1 . 1 47 47 GLU H H 1 7.356 0.00 . 1 . . . . . 109 GLU H . 50820 1 214 . 1 . 1 47 47 GLU C C 13 178.755 0.00 . 1 . . . . . 109 GLU CO . 50820 1 215 . 1 . 1 47 47 GLU CA C 13 58.925 0.02 . 1 . . . . . 109 GLU CA . 50820 1 216 . 1 . 1 47 47 GLU CB C 13 28.357 0.03 . 1 . . . . . 109 GLU CB . 50820 1 217 . 1 . 1 47 47 GLU N N 15 123.081 0.01 . 1 . . . . . 109 GLU N . 50820 1 218 . 1 . 1 48 48 VAL H H 1 7.676 0.00 . 1 . . . . . 110 VAL H . 50820 1 219 . 1 . 1 48 48 VAL C C 13 177.796 0.00 . 1 . . . . . 110 VAL CO . 50820 1 220 . 1 . 1 48 48 VAL CA C 13 65.424 0.04 . 1 . . . . . 110 VAL CA . 50820 1 221 . 1 . 1 48 48 VAL CB C 13 30.453 0.03 . 1 . . . . . 110 VAL CB . 50820 1 222 . 1 . 1 48 48 VAL N N 15 124.195 0.01 . 1 . . . . . 110 VAL N . 50820 1 223 . 1 . 1 49 49 VAL H H 1 7.887 0.00 . 1 . . . . . 111 VAL H . 50820 1 224 . 1 . 1 49 49 VAL C C 13 179.470 0.00 . 1 . . . . . 111 VAL CO . 50820 1 225 . 1 . 1 49 49 VAL CA C 13 66.052 0.01 . 1 . . . . . 111 VAL CA . 50820 1 226 . 1 . 1 49 49 VAL CB C 13 30.703 0.05 . 1 . . . . . 111 VAL CB . 50820 1 227 . 1 . 1 49 49 VAL N N 15 119.563 0.02 . 1 . . . . . 111 VAL N . 50820 1 228 . 1 . 1 50 50 SER H H 1 7.893 0.00 . 1 . . . . . 112 SER H . 50820 1 229 . 1 . 1 50 50 SER C C 13 177.158 0.00 . 1 . . . . . 112 SER CO . 50820 1 230 . 1 . 1 50 50 SER CA C 13 60.803 0.00 . 1 . . . . . 112 SER CA . 50820 1 231 . 1 . 1 50 50 SER CB C 13 62.440 0.04 . 1 . . . . . 112 SER CB . 50820 1 232 . 1 . 1 50 50 SER N N 15 114.473 0.01 . 1 . . . . . 112 SER N . 50820 1 233 . 1 . 1 51 51 ARG H H 1 8.388 0.00 . 1 . . . . . 113 ARG H . 50820 1 234 . 1 . 1 51 51 ARG C C 13 178.640 0.00 . 1 . . . . . 113 ARG CO . 50820 1 235 . 1 . 1 51 51 ARG CA C 13 59.771 0.03 . 1 . . . . . 113 ARG CA . 50820 1 236 . 1 . 1 51 51 ARG CB C 13 28.928 0.22 . 1 . . . . . 113 ARG CB . 50820 1 237 . 1 . 1 51 51 ARG N N 15 123.068 0.02 . 1 . . . . . 113 ARG N . 50820 1 238 . 1 . 1 52 52 ALA H H 1 8.601 0.01 . 1 . . . . . 114 ALA H . 50820 1 239 . 1 . 1 52 52 ALA C C 13 170.780 0.00 . 1 . . . . . 114 ALA CO . 50820 1 240 . 1 . 1 52 52 ALA CA C 13 53.750 0.02 . 1 . . . . . 114 ALA CA . 50820 1 241 . 1 . 1 52 52 ALA CB C 13 19.172 0.09 . 1 . . . . . 114 ALA CB . 50820 1 242 . 1 . 1 52 52 ALA N N 15 121.254 0.02 . 1 . . . . . 114 ALA N . 50820 1 243 . 1 . 1 53 53 GLU H H 1 8.102 0.00 . 1 . . . . . 115 GLU H . 50820 1 244 . 1 . 1 53 53 GLU C C 13 178.251 0.00 . 1 . . . . . 115 GLU CO . 50820 1 245 . 1 . 1 53 53 GLU CA C 13 58.338 0.01 . 1 . . . . . 115 GLU CA . 50820 1 246 . 1 . 1 53 53 GLU CB C 13 28.490 0.04 . 1 . . . . . 115 GLU CB . 50820 1 247 . 1 . 1 53 53 GLU N N 15 121.062 0.01 . 1 . . . . . 115 GLU N . 50820 1 248 . 1 . 1 54 54 LYS H H 1 7.389 0.00 . 1 . . . . . 116 LYS H . 50820 1 249 . 1 . 1 54 54 LYS C C 13 176.728 0.00 . 1 . . . . . 116 LYS CO . 50820 1 250 . 1 . 1 54 54 LYS CA C 13 56.041 0.01 . 1 . . . . . 116 LYS CA . 50820 1 251 . 1 . 1 54 54 LYS CB C 13 32.205 0.10 . 1 . . . . . 116 LYS CB . 50820 1 252 . 1 . 1 54 54 LYS N N 15 117.672 0.01 . 1 . . . . . 116 LYS N . 50820 1 253 . 1 . 1 55 55 GLY H H 1 7.720 0.00 . 1 . . . . . 117 GLY H . 50820 1 254 . 1 . 1 55 55 GLY C C 13 175.960 0.00 . 1 . . . . . 117 GLY CO . 50820 1 255 . 1 . 1 55 55 GLY CA C 13 46.065 0.03 . 1 . . . . . 117 GLY CA . 50820 1 256 . 1 . 1 55 55 GLY N N 15 107.911 0.01 . 1 . . . . . 117 GLY N . 50820 1 257 . 1 . 1 56 56 LEU H H 1 7.038 0.00 . 1 . . . . . 118 LEU H . 50820 1 258 . 1 . 1 56 56 LEU C C 13 176.963 0.00 . 1 . . . . . 118 LEU CO . 50820 1 259 . 1 . 1 56 56 LEU CA C 13 54.687 0.01 . 1 . . . . . 118 LEU CA . 50820 1 260 . 1 . 1 56 56 LEU CB C 13 40.459 0.01 . 1 . . . . . 118 LEU CB . 50820 1 261 . 1 . 1 56 56 LEU N N 15 116.903 0.01 . 1 . . . . . 118 LEU N . 50820 1 262 . 1 . 1 57 57 TYR H H 1 7.960 0.00 . 1 . . . . . 119 TYR H . 50820 1 263 . 1 . 1 57 57 TYR C C 13 176.043 0.00 . 1 . . . . . 119 TYR CO . 50820 1 264 . 1 . 1 57 57 TYR CA C 13 55.874 0.01 . 1 . . . . . 119 TYR CA . 50820 1 265 . 1 . 1 57 57 TYR CB C 13 39.768 0.08 . 1 . . . . . 119 TYR CB . 50820 1 266 . 1 . 1 57 57 TYR N N 15 118.805 0.01 . 1 . . . . . 119 TYR N . 50820 1 267 . 1 . 1 58 58 ASN H H 1 9.782 0.00 . 1 . . . . . 120 ASN H . 50820 1 268 . 1 . 1 58 58 ASN C C 13 177.241 0.00 . 1 . . . . . 120 ASN CO . 50820 1 269 . 1 . 1 58 58 ASN CA C 13 52.900 0.01 . 1 . . . . . 120 ASN CA . 50820 1 270 . 1 . 1 58 58 ASN CB C 13 37.155 0.03 . 1 . . . . . 120 ASN CB . 50820 1 271 . 1 . 1 58 58 ASN N N 15 121.273 0.01 . 1 . . . . . 120 ASN N . 50820 1 272 . 1 . 1 59 59 GLU H H 1 8.594 0.00 . 1 . . . . . 121 GLU H . 50820 1 273 . 1 . 1 59 59 GLU C C 13 179.025 0.00 . 1 . . . . . 121 GLU CO . 50820 1 274 . 1 . 1 59 59 GLU CA C 13 59.418 0.03 . 1 . . . . . 121 GLU CA . 50820 1 275 . 1 . 1 59 59 GLU CB C 13 28.811 0.01 . 1 . . . . . 121 GLU CB . 50820 1 276 . 1 . 1 59 59 GLU N N 15 122.742 0.03 . 1 . . . . . 121 GLU N . 50820 1 277 . 1 . 1 60 60 HIS H H 1 8.788 0.00 . 1 . . . . . 122 HIS H . 50820 1 278 . 1 . 1 60 60 HIS C C 13 174.321 0.00 . 1 . . . . . 122 HIS CO . 50820 1 279 . 1 . 1 60 60 HIS CA C 13 54.946 0.03 . 1 . . . . . 122 HIS CA . 50820 1 280 . 1 . 1 60 60 HIS CB C 13 26.734 0.03 . 1 . . . . . 122 HIS CB . 50820 1 281 . 1 . 1 60 60 HIS N N 15 112.802 0.03 . 1 . . . . . 122 HIS N . 50820 1 282 . 1 . 1 61 61 THR H H 1 7.472 0.00 . 1 . . . . . 123 THR H . 50820 1 283 . 1 . 1 61 61 THR C C 13 172.728 0.00 . 1 . . . . . 123 THR CO . 50820 1 284 . 1 . 1 61 61 THR CA C 13 64.415 0.01 . 1 . . . . . 123 THR CA . 50820 1 285 . 1 . 1 61 61 THR CB C 13 68.819 0.39 . 1 . . . . . 123 THR CB . 50820 1 286 . 1 . 1 61 61 THR N N 15 117.828 0.01 . 1 . . . . . 123 THR N . 50820 1 287 . 1 . 1 62 62 VAL H H 1 6.828 0.00 . 1 . . . . . 124 VAL H . 50820 1 288 . 1 . 1 62 62 VAL C C 13 174.633 0.00 . 1 . . . . . 124 VAL CO . 50820 1 289 . 1 . 1 62 62 VAL CA C 13 60.818 0.00 . 1 . . . . . 124 VAL CA . 50820 1 290 . 1 . 1 62 62 VAL CB C 13 33.064 0.04 . 1 . . . . . 124 VAL CB . 50820 1 291 . 1 . 1 62 62 VAL N N 15 116.766 0.03 . 1 . . . . . 124 VAL N . 50820 1 292 . 1 . 1 63 63 ASP H H 1 8.910 0.00 . 1 . . . . . 125 ASP H . 50820 1 293 . 1 . 1 63 63 ASP C C 13 174.860 0.00 . 1 . . . . . 125 ASP CO . 50820 1 294 . 1 . 1 63 63 ASP CA C 13 52.779 0.02 . 1 . . . . . 125 ASP CA . 50820 1 295 . 1 . 1 63 63 ASP CB C 13 43.507 0.07 . 1 . . . . . 125 ASP CB . 50820 1 296 . 1 . 1 63 63 ASP N N 15 129.256 0.01 . 1 . . . . . 125 ASP N . 50820 1 297 . 1 . 1 64 64 ARG H H 1 8.338 0.00 . 1 . . . . . 126 ARG H . 50820 1 298 . 1 . 1 64 64 ARG C C 13 175.128 0.00 . 1 . . . . . 126 ARG CO . 50820 1 299 . 1 . 1 64 64 ARG CA C 13 55.394 0.01 . 1 . . . . . 126 ARG CA . 50820 1 300 . 1 . 1 64 64 ARG CB C 13 30.740 0.05 . 1 . . . . . 126 ARG CB . 50820 1 301 . 1 . 1 64 64 ARG N N 15 125.574 0.01 . 1 . . . . . 126 ARG N . 50820 1 302 . 1 . 1 65 65 ALA H H 1 8.207 0.00 . 1 . . . . . 127 ALA H . 50820 1 303 . 1 . 1 65 65 ALA CA C 13 49.955 0.00 . 1 . . . . . 127 ALA CA . 50820 1 304 . 1 . 1 65 65 ALA CB C 13 19.142 0.00 . 1 . . . . . 127 ALA CB . 50820 1 305 . 1 . 1 65 65 ALA N N 15 127.810 0.01 . 1 . . . . . 127 ALA N . 50820 1 306 . 1 . 1 67 67 LEU C C 13 175.302 0.00 . 1 . . . . . 129 LEU CO . 50820 1 307 . 1 . 1 67 67 LEU CA C 13 57.606 0.00 . 1 . . . . . 129 LEU CA . 50820 1 308 . 1 . 1 67 67 LEU CB C 13 41.436 0.00 . 1 . . . . . 129 LEU CB . 50820 1 309 . 1 . 1 68 68 ARG H H 1 8.599 0.00 . 1 . . . . . 130 ARG H . 50820 1 310 . 1 . 1 68 68 ARG C C 13 173.543 0.00 . 1 . . . . . 130 ARG CO . 50820 1 311 . 1 . 1 68 68 ARG CA C 13 55.502 0.05 . 1 . . . . . 130 ARG CA . 50820 1 312 . 1 . 1 68 68 ARG CB C 13 30.406 0.25 . 1 . . . . . 130 ARG CB . 50820 1 313 . 1 . 1 68 68 ARG N N 15 116.363 0.01 . 1 . . . . . 130 ARG N . 50820 1 314 . 1 . 1 69 69 ASN H H 1 8.338 0.00 . 1 . . . . . 131 ASN H . 50820 1 315 . 1 . 1 69 69 ASN C C 13 172.984 0.00 . 1 . . . . . 131 ASN CO . 50820 1 316 . 1 . 1 69 69 ASN CA C 13 50.952 0.03 . 1 . . . . . 131 ASN CA . 50820 1 317 . 1 . 1 69 69 ASN CB C 13 41.089 0.23 . 1 . . . . . 131 ASN CB . 50820 1 318 . 1 . 1 69 69 ASN N N 15 124.067 0.01 . 1 . . . . . 131 ASN N . 50820 1 319 . 1 . 1 70 70 LYS H H 1 8.388 0.00 . 1 . . . . . 132 LYS H . 50820 1 320 . 1 . 1 70 70 LYS C C 13 173.236 0.00 . 1 . . . . . 132 LYS CO . 50820 1 321 . 1 . 1 70 70 LYS CA C 13 53.877 0.03 . 1 . . . . . 132 LYS CA . 50820 1 322 . 1 . 1 70 70 LYS CB C 13 35.061 0.04 . 1 . . . . . 132 LYS CB . 50820 1 323 . 1 . 1 70 70 LYS N N 15 122.049 0.02 . 1 . . . . . 132 LYS N . 50820 1 324 . 1 . 1 71 71 TYR H H 1 8.410 0.00 . 1 . . . . . 133 TYR H . 50820 1 325 . 1 . 1 71 71 TYR C C 13 174.140 0.00 . 1 . . . . . 133 TYR CO . 50820 1 326 . 1 . 1 71 71 TYR CA C 13 54.556 0.05 . 1 . . . . . 133 TYR CA . 50820 1 327 . 1 . 1 71 71 TYR CB C 13 39.058 0.03 . 1 . . . . . 133 TYR CB . 50820 1 328 . 1 . 1 71 71 TYR N N 15 121.479 0.01 . 1 . . . . . 133 TYR N . 50820 1 329 . 1 . 1 72 72 PHE H H 1 9.573 0.00 . 1 . . . . . 134 PHE H . 50820 1 330 . 1 . 1 72 72 PHE C C 13 172.455 0.00 . 1 . . . . . 134 PHE CO . 50820 1 331 . 1 . 1 72 72 PHE CA C 13 57.129 0.03 . 1 . . . . . 134 PHE CA . 50820 1 332 . 1 . 1 72 72 PHE CB C 13 41.130 0.05 . 1 . . . . . 134 PHE CB . 50820 1 333 . 1 . 1 72 72 PHE N N 15 123.463 0.02 . 1 . . . . . 134 PHE N . 50820 1 334 . 1 . 1 73 73 PHE H H 1 8.359 0.00 . 1 . . . . . 135 PHE H . 50820 1 335 . 1 . 1 73 73 PHE CA C 13 57.329 0.00 . 1 . . . . . 135 PHE CA . 50820 1 336 . 1 . 1 73 73 PHE CB C 13 41.679 0.00 . 1 . . . . . 135 PHE CB . 50820 1 337 . 1 . 1 73 73 PHE N N 15 113.093 0.03 . 1 . . . . . 135 PHE N . 50820 1 338 . 1 . 1 74 74 GLY H H 1 9.642 0.00 . 1 . . . . . 136 GLY H . 50820 1 339 . 1 . 1 74 74 GLY C C 13 174.316 0.00 . 1 . . . . . 136 GLY CO . 50820 1 340 . 1 . 1 74 74 GLY CA C 13 46.576 0.02 . 1 . . . . . 136 GLY CA . 50820 1 341 . 1 . 1 74 74 GLY N N 15 114.667 0.00 . 1 . . . . . 136 GLY N . 50820 1 342 . 1 . 1 75 75 GLU H H 1 7.694 0.00 . 1 . . . . . 137 GLU H . 50820 1 343 . 1 . 1 75 75 GLU C C 13 176.009 0.00 . 1 . . . . . 137 GLU CO . 50820 1 344 . 1 . 1 75 75 GLU CA C 13 55.064 0.41 . 1 . . . . . 137 GLU CA . 50820 1 345 . 1 . 1 75 75 GLU CB C 13 31.150 1.82 . 1 . . . . . 137 GLU CB . 50820 1 346 . 1 . 1 75 75 GLU N N 15 119.318 0.01 . 1 . . . . . 137 GLU N . 50820 1 347 . 1 . 1 76 76 GLY H H 1 7.764 0.00 . 1 . . . . . 138 GLY H . 50820 1 348 . 1 . 1 76 76 GLY CA C 13 44.013 0.02 . 1 . . . . . 138 GLY CA . 50820 1 349 . 1 . 1 76 76 GLY N N 15 110.056 0.01 . 1 . . . . . 138 GLY N . 50820 1 350 . 1 . 1 78 78 THR C C 13 172.949 0.00 . 1 . . . . . 140 THR CO . 50820 1 351 . 1 . 1 79 79 TYR H H 1 7.854 0.00 . 1 . . . . . 141 TYR H . 50820 1 352 . 1 . 1 79 79 TYR C C 13 175.959 0.00 . 1 . . . . . 141 TYR CO . 50820 1 353 . 1 . 1 79 79 TYR CA C 13 57.594 0.04 . 1 . . . . . 141 TYR CA . 50820 1 354 . 1 . 1 79 79 TYR CB C 13 38.020 0.00 . 1 . . . . . 141 TYR CB . 50820 1 355 . 1 . 1 79 79 TYR N N 15 120.878 0.03 . 1 . . . . . 141 TYR N . 50820 1 356 . 1 . 1 80 80 GLY H H 1 8.304 0.00 . 1 . . . . . 142 GLY H . 50820 1 357 . 1 . 1 80 80 GLY C C 13 173.770 0.00 . 1 . . . . . 142 GLY CO . 50820 1 358 . 1 . 1 80 80 GLY CA C 13 44.840 0.10 . 1 . . . . . 142 GLY CA . 50820 1 359 . 1 . 1 80 80 GLY N N 15 109.443 0.01 . 1 . . . . . 142 GLY N . 50820 1 360 . 1 . 1 81 81 ALA H H 1 8.207 0.01 . 1 . . . . . 143 ALA H . 50820 1 361 . 1 . 1 81 81 ALA C C 13 178.016 0.00 . 1 . . . . . 143 ALA CO . 50820 1 362 . 1 . 1 81 81 ALA CA C 13 52.503 0.02 . 1 . . . . . 143 ALA CA . 50820 1 363 . 1 . 1 81 81 ALA CB C 13 18.348 0.08 . 1 . . . . . 143 ALA CB . 50820 1 364 . 1 . 1 81 81 ALA N N 15 124.618 0.02 . 1 . . . . . 143 ALA N . 50820 1 365 . 1 . 1 82 82 GLN H H 1 8.180 0.00 . 1 . . . . . 144 GLN H . 50820 1 366 . 1 . 1 82 82 GLN C C 13 176.284 0.00 . 1 . . . . . 144 GLN CO . 50820 1 367 . 1 . 1 82 82 GLN CA C 13 55.906 0.01 . 1 . . . . . 144 GLN CA . 50820 1 368 . 1 . 1 82 82 GLN CB C 13 27.958 0.08 . 1 . . . . . 144 GLN CB . 50820 1 369 . 1 . 1 82 82 GLN N N 15 118.394 0.01 . 1 . . . . . 144 GLN N . 50820 1 370 . 1 . 1 83 83 LEU H H 1 7.928 0.00 . 1 . . . . . 145 LEU H . 50820 1 371 . 1 . 1 83 83 LEU C C 13 177.448 0.00 . 1 . . . . . 145 LEU CO . 50820 1 372 . 1 . 1 83 83 LEU CA C 13 55.314 0.03 . 1 . . . . . 145 LEU CA . 50820 1 373 . 1 . 1 83 83 LEU CB C 13 40.718 0.03 . 1 . . . . . 145 LEU CB . 50820 1 374 . 1 . 1 83 83 LEU N N 15 122.044 0.01 . 1 . . . . . 145 LEU N . 50820 1 375 . 1 . 1 84 84 GLN H H 1 8.072 0.00 . 1 . . . . . 146 GLN H . 50820 1 376 . 1 . 1 84 84 GLN C C 13 175.943 0.00 . 1 . . . . . 146 GLN CO . 50820 1 377 . 1 . 1 84 84 GLN CA C 13 56.017 0.01 . 1 . . . . . 146 GLN CA . 50820 1 378 . 1 . 1 84 84 GLN CB C 13 27.867 0.13 . 1 . . . . . 146 GLN CB . 50820 1 379 . 1 . 1 84 84 GLN N N 15 119.124 0.01 . 1 . . . . . 146 GLN N . 50820 1 380 . 1 . 1 85 85 LYS H H 1 7.865 0.00 . 1 . . . . . 147 LYS H . 50820 1 381 . 1 . 1 85 85 LYS C C 13 176.032 0.00 . 1 . . . . . 147 LYS CO . 50820 1 382 . 1 . 1 85 85 LYS CA C 13 55.851 0.01 . 1 . . . . . 147 LYS CA . 50820 1 383 . 1 . 1 85 85 LYS CB C 13 31.715 0.00 . 1 . . . . . 147 LYS CB . 50820 1 384 . 1 . 1 85 85 LYS N N 15 120.561 0.01 . 1 . . . . . 147 LYS N . 50820 1 385 . 1 . 1 86 86 ARG H H 1 8.000 0.00 . 1 . . . . . 148 ARG H . 50820 1 386 . 1 . 1 86 86 ARG C C 13 176.063 0.00 . 1 . . . . . 148 ARG CO . 50820 1 387 . 1 . 1 86 86 ARG CA C 13 55.458 0.06 . 1 . . . . . 148 ARG CA . 50820 1 388 . 1 . 1 86 86 ARG CB C 13 29.641 0.26 . 1 . . . . . 148 ARG CB . 50820 1 389 . 1 . 1 86 86 ARG N N 15 121.390 0.01 . 1 . . . . . 148 ARG N . 50820 1 390 . 1 . 1 87 87 GLY H H 1 7.917 0.00 . 1 . . . . . 149 GLY H . 50820 1 391 . 1 . 1 87 87 GLY CA C 13 43.807 0.01 . 1 . . . . . 149 GLY CA . 50820 1 392 . 1 . 1 87 87 GLY N N 15 109.832 0.04 . 1 . . . . . 149 GLY N . 50820 1 393 . 1 . 1 90 90 GLN C C 13 178.815 0.00 . 1 . . . . . 152 GLN CO . 50820 1 394 . 1 . 1 90 90 GLN CA C 13 55.617 0.02 . 1 . . . . . 152 GLN CA . 50820 1 395 . 1 . 1 90 90 GLN CB C 13 31.835 0.00 . 1 . . . . . 152 GLN CB . 50820 1 396 . 1 . 1 91 91 GLU H H 1 8.829 0.01 . 1 . . . . . 153 GLU H . 50820 1 397 . 1 . 1 91 91 GLU C C 13 176.590 0.00 . 1 . . . . . 153 GLU CO . 50820 1 398 . 1 . 1 91 91 GLU CA C 13 56.882 0.16 . 1 . . . . . 153 GLU CA . 50820 1 399 . 1 . 1 91 91 GLU CB C 13 30.910 0.14 . 1 . . . . . 153 GLU CB . 50820 1 400 . 1 . 1 91 91 GLU N N 15 126.409 0.01 . 1 . . . . . 153 GLU N . 50820 1 401 . 1 . 1 92 92 ARG H H 1 8.329 0.00 . 1 . . . . . 154 ARG H . 50820 1 402 . 1 . 1 92 92 ARG C C 13 174.966 0.00 . 1 . . . . . 154 ARG CO . 50820 1 403 . 1 . 1 92 92 ARG CA C 13 55.188 0.00 . 1 . . . . . 154 ARG CA . 50820 1 404 . 1 . 1 92 92 ARG CB C 13 32.442 0.00 . 1 . . . . . 154 ARG CB . 50820 1 405 . 1 . 1 92 92 ARG N N 15 122.504 0.01 . 1 . . . . . 154 ARG N . 50820 1 406 . 1 . 1 93 93 LEU H H 1 8.365 0.00 . 1 . . . . . 155 LEU H . 50820 1 407 . 1 . 1 93 93 LEU C C 13 177.398 0.00 . 1 . . . . . 155 LEU CO . 50820 1 408 . 1 . 1 93 93 LEU CA C 13 53.884 0.03 . 1 . . . . . 155 LEU CA . 50820 1 409 . 1 . 1 93 93 LEU CB C 13 42.373 0.12 . 1 . . . . . 155 LEU CB . 50820 1 410 . 1 . 1 93 93 LEU N N 15 119.578 0.01 . 1 . . . . . 155 LEU N . 50820 1 411 . 1 . 1 94 94 TYR H H 1 7.609 0.00 . 1 . . . . . 156 TYR H . 50820 1 412 . 1 . 1 94 94 TYR CA C 13 57.248 0.00 . 1 . . . . . 156 TYR CA . 50820 1 413 . 1 . 1 94 94 TYR N N 15 118.850 0.01 . 1 . . . . . 156 TYR N . 50820 1 414 . 1 . 1 96 96 PRO C C 13 176.950 0.00 . 1 . . . . . 158 PRO CO . 50820 1 415 . 1 . 1 96 96 PRO CA C 13 63.882 0.00 . 1 . . . . . 158 PRO CA . 50820 1 416 . 1 . 1 96 96 PRO CB C 13 30.171 0.00 . 1 . . . . . 158 PRO CB . 50820 1 417 . 1 . 1 97 97 GLY H H 1 8.692 0.00 . 1 . . . . . 159 GLY H . 50820 1 418 . 1 . 1 97 97 GLY C C 13 174.248 0.00 . 1 . . . . . 159 GLY CO . 50820 1 419 . 1 . 1 97 97 GLY CA C 13 44.831 0.04 . 1 . . . . . 159 GLY CA . 50820 1 420 . 1 . 1 97 97 GLY N N 15 112.987 0.01 . 1 . . . . . 159 GLY N . 50820 1 421 . 1 . 1 98 98 ASP H H 1 7.667 0.01 . 1 . . . . . 160 ASP H . 50820 1 422 . 1 . 1 98 98 ASP C C 13 177.632 0.00 . 1 . . . . . 160 ASP CO . 50820 1 423 . 1 . 1 98 98 ASP CA C 13 56.080 0.00 . 1 . . . . . 160 ASP CA . 50820 1 424 . 1 . 1 98 98 ASP CB C 13 42.628 0.00 . 1 . . . . . 160 ASP CB . 50820 1 425 . 1 . 1 98 98 ASP N N 15 121.720 0.02 . 1 . . . . . 160 ASP N . 50820 1 426 . 1 . 1 99 99 VAL H H 1 7.404 0.00 . 1 . . . . . 161 VAL H . 50820 1 427 . 1 . 1 99 99 VAL CA C 13 58.470 0.00 . 1 . . . . . 161 VAL CA . 50820 1 428 . 1 . 1 99 99 VAL N N 15 109.447 0.01 . 1 . . . . . 161 VAL N . 50820 1 429 . 1 . 1 100 100 ASP C C 13 174.787 0.00 . 1 . . . . . 162 ASP CO . 50820 1 430 . 1 . 1 100 100 ASP CA C 13 55.090 0.00 . 1 . . . . . 162 ASP CA . 50820 1 431 . 1 . 1 100 100 ASP CB C 13 42.883 0.01 . 1 . . . . . 162 ASP CB . 50820 1 432 . 1 . 1 101 101 GLU H H 1 8.623 0.00 . 1 . . . . . 163 GLU H . 50820 1 433 . 1 . 1 101 101 GLU C C 13 177.030 0.00 . 1 . . . . . 163 GLU CO . 50820 1 434 . 1 . 1 101 101 GLU CA C 13 55.321 0.01 . 1 . . . . . 163 GLU CA . 50820 1 435 . 1 . 1 101 101 GLU CB C 13 29.418 0.00 . 1 . . . . . 163 GLU CB . 50820 1 436 . 1 . 1 101 101 GLU N N 15 118.970 0.01 . 1 . . . . . 163 GLU N . 50820 1 437 . 1 . 1 102 102 ILE H H 1 8.062 0.00 . 1 . . . . . 164 ILE H . 50820 1 438 . 1 . 1 102 102 ILE CA C 13 59.680 0.00 . 1 . . . . . 164 ILE CA . 50820 1 439 . 1 . 1 102 102 ILE N N 15 120.658 0.00 . 1 . . . . . 164 ILE N . 50820 1 440 . 1 . 1 103 103 PRO C C 13 177.448 0.00 . 1 . . . . . 165 PRO CO . 50820 1 441 . 1 . 1 103 103 PRO CA C 13 61.852 0.00 . 1 . . . . . 165 PRO CA . 50820 1 442 . 1 . 1 103 103 PRO CB C 13 31.974 0.03 . 1 . . . . . 165 PRO CB . 50820 1 443 . 1 . 1 104 104 GLU H H 1 8.833 0.00 . 1 . . . . . 166 GLU H . 50820 1 444 . 1 . 1 104 104 GLU C C 13 178.860 0.00 . 1 . . . . . 166 GLU CO . 50820 1 445 . 1 . 1 104 104 GLU CA C 13 59.504 0.02 . 1 . . . . . 166 GLU CA . 50820 1 446 . 1 . 1 104 104 GLU CB C 13 28.276 0.01 . 1 . . . . . 166 GLU CB . 50820 1 447 . 1 . 1 104 104 GLU N N 15 125.525 0.01 . 1 . . . . . 166 GLU N . 50820 1 448 . 1 . 1 105 105 TRP H H 1 7.967 0.00 . 1 . . . . . 167 TRP H . 50820 1 449 . 1 . 1 105 105 TRP C C 13 178.567 0.00 . 1 . . . . . 167 TRP CO . 50820 1 450 . 1 . 1 105 105 TRP CA C 13 58.677 0.03 . 1 . . . . . 167 TRP CA . 50820 1 451 . 1 . 1 105 105 TRP CB C 13 26.943 0.03 . 1 . . . . . 167 TRP CB . 50820 1 452 . 1 . 1 105 105 TRP N N 15 115.205 0.02 . 1 . . . . . 167 TRP N . 50820 1 453 . 1 . 1 106 106 VAL H H 1 6.562 0.00 . 1 . . . . . 168 VAL H . 50820 1 454 . 1 . 1 106 106 VAL C C 13 179.198 0.00 . 1 . . . . . 168 VAL CO . 50820 1 455 . 1 . 1 106 106 VAL CA C 13 65.378 0.05 . 1 . . . . . 168 VAL CA . 50820 1 456 . 1 . 1 106 106 VAL CB C 13 28.620 0.08 . 1 . . . . . 168 VAL CB . 50820 1 457 . 1 . 1 106 106 VAL N N 15 123.894 0.01 . 1 . . . . . 168 VAL N . 50820 1 458 . 1 . 1 107 107 HIS H H 1 6.777 0.00 . 1 . . . . . 169 HIS H . 50820 1 459 . 1 . 1 107 107 HIS C C 13 176.913 0.00 . 1 . . . . . 169 HIS CO . 50820 1 460 . 1 . 1 107 107 HIS CA C 13 60.211 0.00 . 1 . . . . . 169 HIS CA . 50820 1 461 . 1 . 1 107 107 HIS CB C 13 29.600 0.11 . 1 . . . . . 169 HIS CB . 50820 1 462 . 1 . 1 107 107 HIS N N 15 120.166 0.03 . 1 . . . . . 169 HIS N . 50820 1 463 . 1 . 1 108 108 GLN H H 1 8.354 0.00 . 1 . . . . . 170 GLN H . 50820 1 464 . 1 . 1 108 108 GLN C C 13 177.659 0.00 . 1 . . . . . 170 GLN CO . 50820 1 465 . 1 . 1 108 108 GLN CA C 13 58.440 0.01 . 1 . . . . . 170 GLN CA . 50820 1 466 . 1 . 1 108 108 GLN CB C 13 28.934 0.12 . 1 . . . . . 170 GLN CB . 50820 1 467 . 1 . 1 108 108 GLN N N 15 116.051 0.01 . 1 . . . . . 170 GLN N . 50820 1 468 . 1 . 1 109 109 LEU H H 1 8.778 0.00 . 1 . . . . . 171 LEU H . 50820 1 469 . 1 . 1 109 109 LEU C C 13 177.448 0.00 . 1 . . . . . 171 LEU CO . 50820 1 470 . 1 . 1 109 109 LEU CA C 13 55.216 0.05 . 1 . . . . . 171 LEU CA . 50820 1 471 . 1 . 1 109 109 LEU CB C 13 41.731 0.06 . 1 . . . . . 171 LEU CB . 50820 1 472 . 1 . 1 109 109 LEU N N 15 112.943 0.03 . 1 . . . . . 171 LEU N . 50820 1 473 . 1 . 1 110 110 VAL H H 1 6.945 0.00 . 1 . . . . . 172 VAL H . 50820 1 474 . 1 . 1 110 110 VAL C C 13 176.368 0.00 . 1 . . . . . 172 VAL CO . 50820 1 475 . 1 . 1 110 110 VAL CA C 13 63.398 0.01 . 1 . . . . . 172 VAL CA . 50820 1 476 . 1 . 1 110 110 VAL CB C 13 32.294 0.07 . 1 . . . . . 172 VAL CB . 50820 1 477 . 1 . 1 110 110 VAL N N 15 113.632 0.01 . 1 . . . . . 172 VAL N . 50820 1 478 . 1 . 1 111 111 ILE H H 1 8.715 0.00 . 1 . . . . . 173 ILE H . 50820 1 479 . 1 . 1 111 111 ILE C C 13 177.892 0.00 . 1 . . . . . 173 ILE CO . 50820 1 480 . 1 . 1 111 111 ILE CA C 13 66.725 0.04 . 1 . . . . . 173 ILE CA . 50820 1 481 . 1 . 1 111 111 ILE CB C 13 36.579 0.04 . 1 . . . . . 173 ILE CB . 50820 1 482 . 1 . 1 111 111 ILE N N 15 119.690 0.03 . 1 . . . . . 173 ILE N . 50820 1 483 . 1 . 1 112 112 GLN H H 1 8.203 0.00 . 1 . . . . . 174 GLN H . 50820 1 484 . 1 . 1 112 112 GLN C C 13 177.969 0.00 . 1 . . . . . 174 GLN CO . 50820 1 485 . 1 . 1 112 112 GLN CA C 13 59.010 0.02 . 1 . . . . . 174 GLN CA . 50820 1 486 . 1 . 1 112 112 GLN CB C 13 27.234 0.01 . 1 . . . . . 174 GLN CB . 50820 1 487 . 1 . 1 112 112 GLN N N 15 116.684 0.02 . 1 . . . . . 174 GLN N . 50820 1 488 . 1 . 1 113 113 LYS H H 1 6.478 0.00 . 1 . . . . . 175 LYS H . 50820 1 489 . 1 . 1 113 113 LYS C C 13 178.769 0.00 . 1 . . . . . 175 LYS CO . 50820 1 490 . 1 . 1 113 113 LYS CA C 13 58.136 0.01 . 1 . . . . . 175 LYS CA . 50820 1 491 . 1 . 1 113 113 LYS CB C 13 30.553 0.07 . 1 . . . . . 175 LYS CB . 50820 1 492 . 1 . 1 113 113 LYS N N 15 117.673 0.02 . 1 . . . . . 175 LYS N . 50820 1 493 . 1 . 1 114 114 LEU H H 1 7.446 0.00 . 1 . . . . . 176 LEU H . 50820 1 494 . 1 . 1 114 114 LEU C C 13 179.010 0.00 . 1 . . . . . 176 LEU CO . 50820 1 495 . 1 . 1 114 114 LEU CA C 13 57.630 0.01 . 1 . . . . . 176 LEU CA . 50820 1 496 . 1 . 1 114 114 LEU CB C 13 40.627 0.11 . 1 . . . . . 176 LEU CB . 50820 1 497 . 1 . 1 114 114 LEU N N 15 118.547 0.02 . 1 . . . . . 176 LEU N . 50820 1 498 . 1 . 1 115 115 VAL H H 1 8.380 0.00 . 1 . . . . . 177 VAL H . 50820 1 499 . 1 . 1 115 115 VAL C C 13 181.632 0.00 . 1 . . . . . 177 VAL CO . 50820 1 500 . 1 . 1 115 115 VAL CA C 13 64.865 0.01 . 1 . . . . . 177 VAL CA . 50820 1 501 . 1 . 1 115 115 VAL CB C 13 32.432 1.86 . 1 . . . . . 177 VAL CB . 50820 1 502 . 1 . 1 115 115 VAL N N 15 122.040 0.02 . 1 . . . . . 177 VAL N . 50820 1 503 . 1 . 1 116 116 GLU H H 1 8.573 0.00 . 1 . . . . . 178 GLU H . 50820 1 504 . 1 . 1 116 116 GLU C C 13 181.314 0.00 . 1 . . . . . 178 GLU CO . 50820 1 505 . 1 . 1 116 116 GLU CA C 13 58.872 0.00 . 1 . . . . . 178 GLU CA . 50820 1 506 . 1 . 1 116 116 GLU CB C 13 28.403 0.00 . 1 . . . . . 178 GLU CB . 50820 1 507 . 1 . 1 116 116 GLU N N 15 124.222 0.01 . 1 . . . . . 178 GLU N . 50820 1 508 . 1 . 1 117 117 HIS H H 1 7.750 0.00 . 1 . . . . . 179 HIS H . 50820 1 509 . 1 . 1 117 117 HIS C C 13 174.330 0.00 . 1 . . . . . 179 HIS CO . 50820 1 510 . 1 . 1 117 117 HIS CA C 13 56.176 0.03 . 1 . . . . . 179 HIS CA . 50820 1 511 . 1 . 1 117 117 HIS CB C 13 29.719 0.07 . 1 . . . . . 179 HIS CB . 50820 1 512 . 1 . 1 117 117 HIS N N 15 107.734 0.01 . 1 . . . . . 179 HIS N . 50820 1 513 . 1 . 1 118 118 ARG H H 1 8.754 0.00 . 1 . . . . . 180 ARG H . 50820 1 514 . 1 . 1 118 118 ARG CA C 13 54.207 0.00 . 1 . . . . . 180 ARG CA . 50820 1 515 . 1 . 1 118 118 ARG CB C 13 31.393 0.00 . 1 . . . . . 180 ARG CB . 50820 1 516 . 1 . 1 118 118 ARG N N 15 124.330 0.01 . 1 . . . . . 180 ARG N . 50820 1 517 . 1 . 1 119 119 VAL C C 13 175.603 0.00 . 1 . . . . . 181 VAL CO . 50820 1 518 . 1 . 1 119 119 VAL CA C 13 64.772 0.01 . 1 . . . . . 181 VAL CA . 50820 1 519 . 1 . 1 119 119 VAL CB C 13 31.727 0.31 . 1 . . . . . 181 VAL CB . 50820 1 520 . 1 . 1 120 120 ILE H H 1 6.631 0.00 . 1 . . . . . 182 ILE H . 50820 1 521 . 1 . 1 120 120 ILE CA C 13 56.502 0.00 . 1 . . . . . 182 ILE CA . 50820 1 522 . 1 . 1 120 120 ILE CB C 13 39.507 0.00 . 1 . . . . . 182 ILE CB . 50820 1 523 . 1 . 1 120 120 ILE N N 15 108.757 0.01 . 1 . . . . . 182 ILE N . 50820 1 524 . 1 . 1 121 121 PRO C C 13 176.396 0.00 . 1 . . . . . 183 PRO CO . 50820 1 525 . 1 . 1 121 121 PRO CA C 13 61.213 0.00 . 1 . . . . . 183 PRO CA . 50820 1 526 . 1 . 1 121 121 PRO CB C 13 31.539 0.00 . 1 . . . . . 183 PRO CB . 50820 1 527 . 1 . 1 122 122 GLU H H 1 8.544 0.00 . 1 . . . . . 184 GLU H . 50820 1 528 . 1 . 1 122 122 GLU C C 13 177.796 0.00 . 1 . . . . . 184 GLU CO . 50820 1 529 . 1 . 1 122 122 GLU CA C 13 57.170 0.01 . 1 . . . . . 184 GLU CA . 50820 1 530 . 1 . 1 122 122 GLU CB C 13 28.556 0.03 . 1 . . . . . 184 GLU CB . 50820 1 531 . 1 . 1 122 122 GLU N N 15 121.753 0.01 . 1 . . . . . 184 GLU N . 50820 1 532 . 1 . 1 123 123 GLY H H 1 9.034 0.00 . 1 . . . . . 185 GLY H . 50820 1 533 . 1 . 1 123 123 GLY C C 13 173.448 0.00 . 1 . . . . . 185 GLY CO . 50820 1 534 . 1 . 1 123 123 GLY CA C 13 45.353 0.02 . 1 . . . . . 185 GLY CA . 50820 1 535 . 1 . 1 123 123 GLY N N 15 115.149 0.01 . 1 . . . . . 185 GLY N . 50820 1 536 . 1 . 1 124 124 PHE H H 1 7.731 0.00 . 1 . . . . . 186 PHE H . 50820 1 537 . 1 . 1 124 124 PHE C C 13 175.308 0.00 . 1 . . . . . 186 PHE CO . 50820 1 538 . 1 . 1 124 124 PHE CA C 13 59.940 0.02 . 1 . . . . . 186 PHE CA . 50820 1 539 . 1 . 1 124 124 PHE CB C 13 41.129 0.01 . 1 . . . . . 186 PHE CB . 50820 1 540 . 1 . 1 124 124 PHE N N 15 122.362 0.01 . 1 . . . . . 186 PHE N . 50820 1 541 . 1 . 1 125 125 VAL H H 1 7.940 0.00 . 1 . . . . . 187 VAL H . 50820 1 542 . 1 . 1 125 125 VAL C C 13 176.895 0.00 . 1 . . . . . 187 VAL CO . 50820 1 543 . 1 . 1 125 125 VAL CA C 13 63.788 0.01 . 1 . . . . . 187 VAL CA . 50820 1 544 . 1 . 1 125 125 VAL CB C 13 31.651 0.01 . 1 . . . . . 187 VAL CB . 50820 1 545 . 1 . 1 125 125 VAL N N 15 115.190 0.01 . 1 . . . . . 187 VAL N . 50820 1 546 . 1 . 1 126 126 ASN H H 1 8.352 0.00 . 1 . . . . . 188 ASN H . 50820 1 547 . 1 . 1 126 126 ASN C C 13 174.173 0.00 . 1 . . . . . 188 ASN CO . 50820 1 548 . 1 . 1 126 126 ASN CA C 13 52.099 0.03 . 1 . . . . . 188 ASN CA . 50820 1 549 . 1 . 1 126 126 ASN CB C 13 38.443 0.00 . 1 . . . . . 188 ASN CB . 50820 1 550 . 1 . 1 126 126 ASN N N 15 123.293 0.02 . 1 . . . . . 188 ASN N . 50820 1 551 . 1 . 1 127 127 SER H H 1 8.075 0.00 . 1 . . . . . 189 SER H . 50820 1 552 . 1 . 1 127 127 SER C C 13 171.774 0.00 . 1 . . . . . 189 SER CO . 50820 1 553 . 1 . 1 127 127 SER CA C 13 56.716 0.05 . 1 . . . . . 189 SER CA . 50820 1 554 . 1 . 1 127 127 SER CB C 13 64.266 0.05 . 1 . . . . . 189 SER CB . 50820 1 555 . 1 . 1 127 127 SER N N 15 114.775 0.02 . 1 . . . . . 189 SER N . 50820 1 556 . 1 . 1 128 128 ALA H H 1 8.925 0.00 . 1 . . . . . 190 ALA H . 50820 1 557 . 1 . 1 128 128 ALA C C 13 174.330 0.00 . 1 . . . . . 190 ALA CO . 50820 1 558 . 1 . 1 128 128 ALA CA C 13 49.836 0.03 . 1 . . . . . 190 ALA CA . 50820 1 559 . 1 . 1 128 128 ALA CB C 13 20.862 0.04 . 1 . . . . . 190 ALA CB . 50820 1 560 . 1 . 1 128 128 ALA N N 15 128.977 0.02 . 1 . . . . . 190 ALA N . 50820 1 561 . 1 . 1 129 129 VAL H H 1 8.887 0.00 . 1 . . . . . 191 VAL H . 50820 1 562 . 1 . 1 129 129 VAL C C 13 175.723 0.00 . 1 . . . . . 191 VAL CO . 50820 1 563 . 1 . 1 129 129 VAL CA C 13 58.927 0.06 . 1 . . . . . 191 VAL CA . 50820 1 564 . 1 . 1 129 129 VAL CB C 13 34.803 0.12 . 1 . . . . . 191 VAL CB . 50820 1 565 . 1 . 1 129 129 VAL N N 15 123.413 0.01 . 1 . . . . . 191 VAL N . 50820 1 566 . 1 . 1 130 130 ILE H H 1 9.236 0.00 . 1 . . . . . 192 ILE H . 50820 1 567 . 1 . 1 130 130 ILE C C 13 175.106 0.00 . 1 . . . . . 192 ILE CO . 50820 1 568 . 1 . 1 130 130 ILE CA C 13 59.651 0.02 . 1 . . . . . 192 ILE CA . 50820 1 569 . 1 . 1 130 130 ILE CB C 13 39.032 0.07 . 1 . . . . . 192 ILE CB . 50820 1 570 . 1 . 1 130 130 ILE N N 15 126.064 0.01 . 1 . . . . . 192 ILE N . 50820 1 571 . 1 . 1 131 131 ASN H H 1 9.198 0.00 . 1 . . . . . 193 ASN H . 50820 1 572 . 1 . 1 131 131 ASN C C 13 172.859 0.00 . 1 . . . . . 193 ASN CO . 50820 1 573 . 1 . 1 131 131 ASN CA C 13 51.374 0.01 . 1 . . . . . 193 ASN CA . 50820 1 574 . 1 . 1 131 131 ASN CB C 13 40.812 0.08 . 1 . . . . . 193 ASN CB . 50820 1 575 . 1 . 1 131 131 ASN N N 15 126.640 0.01 . 1 . . . . . 193 ASN N . 50820 1 576 . 1 . 1 132 132 ASP H H 1 9.073 0.00 . 1 . . . . . 194 ASP H . 50820 1 577 . 1 . 1 132 132 ASP C C 13 175.139 0.00 . 1 . . . . . 194 ASP CO . 50820 1 578 . 1 . 1 132 132 ASP CA C 13 53.076 0.01 . 1 . . . . . 194 ASP CA . 50820 1 579 . 1 . 1 132 132 ASP CB C 13 42.654 0.03 . 1 . . . . . 194 ASP CB . 50820 1 580 . 1 . 1 132 132 ASP N N 15 125.504 0.01 . 1 . . . . . 194 ASP N . 50820 1 581 . 1 . 1 133 133 TYR H H 1 9.391 0.00 . 1 . . . . . 195 TYR H . 50820 1 582 . 1 . 1 133 133 TYR C C 13 175.157 0.00 . 1 . . . . . 195 TYR CO . 50820 1 583 . 1 . 1 133 133 TYR CA C 13 56.947 0.01 . 1 . . . . . 195 TYR CA . 50820 1 584 . 1 . 1 133 133 TYR CB C 13 40.258 0.16 . 1 . . . . . 195 TYR CB . 50820 1 585 . 1 . 1 133 133 TYR N N 15 126.802 0.01 . 1 . . . . . 195 TYR N . 50820 1 586 . 1 . 1 134 134 GLN H H 1 8.135 0.00 . 1 . . . . . 196 GLN H . 50820 1 587 . 1 . 1 134 134 GLN CA C 13 52.454 0.00 . 1 . . . . . 196 GLN CA . 50820 1 588 . 1 . 1 134 134 GLN CB C 13 27.649 0.00 . 1 . . . . . 196 GLN CB . 50820 1 589 . 1 . 1 134 134 GLN N N 15 119.582 0.01 . 1 . . . . . 196 GLN N . 50820 1 590 . 1 . 1 135 135 PRO C C 13 178.005 0.00 . 1 . . . . . 197 PRO CO . 50820 1 591 . 1 . 1 135 135 PRO CA C 13 62.895 0.01 . 1 . . . . . 197 PRO CA . 50820 1 592 . 1 . 1 135 135 PRO CB C 13 31.126 0.03 . 1 . . . . . 197 PRO CB . 50820 1 593 . 1 . 1 136 136 GLY H H 1 8.822 0.00 . 1 . . . . . 198 GLY H . 50820 1 594 . 1 . 1 136 136 GLY C C 13 175.031 0.00 . 1 . . . . . 198 GLY CO . 50820 1 595 . 1 . 1 136 136 GLY CA C 13 44.853 0.08 . 1 . . . . . 198 GLY CA . 50820 1 596 . 1 . 1 136 136 GLY N N 15 111.244 0.01 . 1 . . . . . 198 GLY N . 50820 1 597 . 1 . 1 137 137 GLY H H 1 8.704 0.00 . 1 . . . . . 199 GLY H . 50820 1 598 . 1 . 1 137 137 GLY C C 13 174.609 0.00 . 1 . . . . . 199 GLY CO . 50820 1 599 . 1 . 1 137 137 GLY CA C 13 44.953 0.02 . 1 . . . . . 199 GLY CA . 50820 1 600 . 1 . 1 137 137 GLY N N 15 109.520 0.01 . 1 . . . . . 199 GLY N . 50820 1 601 . 1 . 1 138 138 CYS H H 1 8.080 0.00 . 1 . . . . . 200 CYS H . 50820 1 602 . 1 . 1 138 138 CYS C C 13 176.052 0.00 . 1 . . . . . 200 CYS CO . 50820 1 603 . 1 . 1 138 138 CYS CA C 13 55.281 0.13 . 1 . . . . . 200 CYS CA . 50820 1 604 . 1 . 1 138 138 CYS CB C 13 29.001 0.43 . 1 . . . . . 200 CYS CB . 50820 1 605 . 1 . 1 138 138 CYS N N 15 118.540 0.01 . 1 . . . . . 200 CYS N . 50820 1 606 . 1 . 1 139 139 ILE H H 1 8.586 0.00 . 1 . . . . . 201 ILE H . 50820 1 607 . 1 . 1 139 139 ILE C C 13 173.633 0.00 . 1 . . . . . 201 ILE CO . 50820 1 608 . 1 . 1 139 139 ILE CA C 13 60.019 0.40 . 1 . . . . . 201 ILE CA . 50820 1 609 . 1 . 1 139 139 ILE CB C 13 38.422 0.85 . 1 . . . . . 201 ILE CB . 50820 1 610 . 1 . 1 139 139 ILE N N 15 121.138 0.02 . 1 . . . . . 201 ILE N . 50820 1 611 . 1 . 1 140 140 VAL H H 1 7.669 0.00 . 1 . . . . . 202 VAL H . 50820 1 612 . 1 . 1 140 140 VAL C C 13 174.713 0.00 . 1 . . . . . 202 VAL CO . 50820 1 613 . 1 . 1 140 140 VAL CA C 13 60.811 0.74 . 1 . . . . . 202 VAL CA . 50820 1 614 . 1 . 1 140 140 VAL CB C 13 31.212 0.11 . 1 . . . . . 202 VAL CB . 50820 1 615 . 1 . 1 140 140 VAL N N 15 123.459 0.01 . 1 . . . . . 202 VAL N . 50820 1 616 . 1 . 1 141 141 SER H H 1 5.850 0.01 . 1 . . . . . 203 SER H . 50820 1 617 . 1 . 1 141 141 SER CA C 13 58.691 0.00 . 1 . . . . . 203 SER CA . 50820 1 618 . 1 . 1 141 141 SER CB C 13 62.900 0.00 . 1 . . . . . 203 SER CB . 50820 1 619 . 1 . 1 141 141 SER N N 15 119.259 0.04 . 1 . . . . . 203 SER N . 50820 1 620 . 1 . 1 142 142 HIS C C 13 171.539 0.00 . 1 . . . . . 204 HIS CO . 50820 1 621 . 1 . 1 142 142 HIS CA C 13 54.882 0.00 . 1 . . . . . 204 HIS CA . 50820 1 622 . 1 . 1 142 142 HIS CB C 13 29.990 0.06 . 1 . . . . . 204 HIS CB . 50820 1 623 . 1 . 1 143 143 VAL H H 1 8.115 0.00 . 1 . . . . . 205 VAL H . 50820 1 624 . 1 . 1 143 143 VAL C C 13 176.407 0.00 . 1 . . . . . 205 VAL CO . 50820 1 625 . 1 . 1 143 143 VAL CA C 13 59.835 0.03 . 1 . . . . . 205 VAL CA . 50820 1 626 . 1 . 1 143 143 VAL CB C 13 33.754 0.11 . 1 . . . . . 205 VAL CB . 50820 1 627 . 1 . 1 143 143 VAL N N 15 118.237 0.03 . 1 . . . . . 205 VAL N . 50820 1 628 . 1 . 1 144 144 ASP H H 1 9.561 0.00 . 1 . . . . . 206 ASP H . 50820 1 629 . 1 . 1 144 144 ASP CA C 13 53.274 0.00 . 1 . . . . . 206 ASP CA . 50820 1 630 . 1 . 1 144 144 ASP CB C 13 40.308 0.00 . 1 . . . . . 206 ASP CB . 50820 1 631 . 1 . 1 144 144 ASP N N 15 130.133 0.03 . 1 . . . . . 206 ASP N . 50820 1 632 . 1 . 1 145 145 PRO C C 13 179.238 0.00 . 1 . . . . . 207 PRO CO . 50820 1 633 . 1 . 1 145 145 PRO CA C 13 63.486 0.00 . 1 . . . . . 207 PRO CA . 50820 1 634 . 1 . 1 145 145 PRO CB C 13 30.558 0.02 . 1 . . . . . 207 PRO CB . 50820 1 635 . 1 . 1 146 146 ILE H H 1 8.889 0.00 . 1 . . . . . 208 ILE H . 50820 1 636 . 1 . 1 146 146 ILE C C 13 175.893 0.00 . 1 . . . . . 208 ILE CO . 50820 1 637 . 1 . 1 146 146 ILE CA C 13 63.525 0.03 . 1 . . . . . 208 ILE CA . 50820 1 638 . 1 . 1 146 146 ILE CB C 13 38.332 0.11 . 1 . . . . . 208 ILE CB . 50820 1 639 . 1 . 1 146 146 ILE N N 15 131.214 0.02 . 1 . . . . . 208 ILE N . 50820 1 640 . 1 . 1 147 147 HIS H H 1 8.435 0.01 . 1 . . . . . 209 HIS H . 50820 1 641 . 1 . 1 147 147 HIS C C 13 174.509 0.00 . 1 . . . . . 209 HIS CO . 50820 1 642 . 1 . 1 147 147 HIS CA C 13 56.129 0.01 . 1 . . . . . 209 HIS CA . 50820 1 643 . 1 . 1 147 147 HIS CB C 13 28.704 0.07 . 1 . . . . . 209 HIS CB . 50820 1 644 . 1 . 1 147 147 HIS N N 15 116.464 0.01 . 1 . . . . . 209 HIS N . 50820 1 645 . 1 . 1 148 148 ILE H H 1 6.357 0.00 . 1 . . . . . 210 ILE H . 50820 1 646 . 1 . 1 148 148 ILE C C 13 174.096 0.00 . 1 . . . . . 210 ILE CO . 50820 1 647 . 1 . 1 148 148 ILE CA C 13 59.853 0.01 . 1 . . . . . 210 ILE CA . 50820 1 648 . 1 . 1 148 148 ILE CB C 13 37.587 0.14 . 1 . . . . . 210 ILE CB . 50820 1 649 . 1 . 1 148 148 ILE N N 15 116.884 0.01 . 1 . . . . . 210 ILE N . 50820 1 650 . 1 . 1 149 149 PHE H H 1 7.415 0.00 . 1 . . . . . 211 PHE H . 50820 1 651 . 1 . 1 149 149 PHE C C 13 177.698 0.00 . 1 . . . . . 211 PHE CO . 50820 1 652 . 1 . 1 149 149 PHE CA C 13 56.902 0.02 . 1 . . . . . 211 PHE CA . 50820 1 653 . 1 . 1 149 149 PHE CB C 13 40.476 0.01 . 1 . . . . . 211 PHE CB . 50820 1 654 . 1 . 1 149 149 PHE N N 15 116.287 0.02 . 1 . . . . . 211 PHE N . 50820 1 655 . 1 . 1 150 150 GLU H H 1 8.735 0.00 . 1 . . . . . 212 GLU H . 50820 1 656 . 1 . 1 150 150 GLU C C 13 172.896 0.00 . 1 . . . . . 212 GLU CO . 50820 1 657 . 1 . 1 150 150 GLU CA C 13 56.235 0.06 . 1 . . . . . 212 GLU CA . 50820 1 658 . 1 . 1 150 150 GLU CB C 13 29.701 0.00 . 1 . . . . . 212 GLU CB . 50820 1 659 . 1 . 1 150 150 GLU N N 15 123.816 0.01 . 1 . . . . . 212 GLU N . 50820 1 660 . 1 . 1 151 151 ARG H H 1 7.982 0.00 . 1 . . . . . 213 ARG H . 50820 1 661 . 1 . 1 151 151 ARG CA C 13 56.395 0.00 . 1 . . . . . 213 ARG CA . 50820 1 662 . 1 . 1 151 151 ARG CB C 13 24.975 0.00 . 1 . . . . . 213 ARG CB . 50820 1 663 . 1 . 1 151 151 ARG N N 15 115.360 0.01 . 1 . . . . . 213 ARG N . 50820 1 664 . 1 . 1 152 152 PRO C C 13 174.333 0.00 . 1 . . . . . 214 PRO CO . 50820 1 665 . 1 . 1 152 152 PRO CA C 13 61.533 0.00 . 1 . . . . . 214 PRO CA . 50820 1 666 . 1 . 1 152 152 PRO CB C 13 35.651 0.02 . 1 . . . . . 214 PRO CB . 50820 1 667 . 1 . 1 153 153 ILE H H 1 8.456 0.00 . 1 . . . . . 215 ILE H . 50820 1 668 . 1 . 1 153 153 ILE C C 13 175.812 0.00 . 1 . . . . . 215 ILE CO . 50820 1 669 . 1 . 1 153 153 ILE CA C 13 60.520 0.00 . 1 . . . . . 215 ILE CA . 50820 1 670 . 1 . 1 153 153 ILE CB C 13 38.699 0.16 . 1 . . . . . 215 ILE CB . 50820 1 671 . 1 . 1 153 153 ILE N N 15 118.947 0.00 . 1 . . . . . 215 ILE N . 50820 1 672 . 1 . 1 154 154 VAL H H 1 7.554 0.00 . 1 . . . . . 216 VAL H . 50820 1 673 . 1 . 1 154 154 VAL C C 13 173.354 0.00 . 1 . . . . . 216 VAL CO . 50820 1 674 . 1 . 1 154 154 VAL CA C 13 61.021 0.01 . 1 . . . . . 216 VAL CA . 50820 1 675 . 1 . 1 154 154 VAL CB C 13 32.676 0.10 . 1 . . . . . 216 VAL CB . 50820 1 676 . 1 . 1 154 154 VAL N N 15 127.996 0.01 . 1 . . . . . 216 VAL N . 50820 1 677 . 1 . 1 155 155 SER H H 1 9.284 0.00 . 1 . . . . . 217 SER H . 50820 1 678 . 1 . 1 155 155 SER C C 13 174.014 0.00 . 1 . . . . . 217 SER CO . 50820 1 679 . 1 . 1 155 155 SER CA C 13 57.807 2.22 . 1 . . . . . 217 SER CA . 50820 1 680 . 1 . 1 155 155 SER CB C 13 65.297 0.02 . 1 . . . . . 217 SER CB . 50820 1 681 . 1 . 1 155 155 SER N N 15 121.466 0.01 . 1 . . . . . 217 SER N . 50820 1 682 . 1 . 1 156 156 VAL H H 1 9.277 0.00 . 1 . . . . . 218 VAL H . 50820 1 683 . 1 . 1 156 156 VAL C C 13 174.494 0.00 . 1 . . . . . 218 VAL CO . 50820 1 684 . 1 . 1 156 156 VAL CA C 13 60.179 0.02 . 1 . . . . . 218 VAL CA . 50820 1 685 . 1 . 1 156 156 VAL CB C 13 33.014 0.01 . 1 . . . . . 218 VAL CB . 50820 1 686 . 1 . 1 156 156 VAL N N 15 125.462 0.05 . 1 . . . . . 218 VAL N . 50820 1 687 . 1 . 1 157 157 SER H H 1 7.154 0.00 . 1 . . . . . 219 SER H . 50820 1 688 . 1 . 1 157 157 SER C C 13 172.402 0.00 . 1 . . . . . 219 SER CO . 50820 1 689 . 1 . 1 157 157 SER CA C 13 59.068 0.00 . 1 . . . . . 219 SER CA . 50820 1 690 . 1 . 1 157 157 SER CB C 13 65.027 0.06 . 1 . . . . . 219 SER CB . 50820 1 691 . 1 . 1 157 157 SER N N 15 121.729 0.02 . 1 . . . . . 219 SER N . 50820 1 692 . 1 . 1 158 158 PHE H H 1 9.311 0.00 . 1 . . . . . 220 PHE H . 50820 1 693 . 1 . 1 158 158 PHE C C 13 176.106 0.00 . 1 . . . . . 220 PHE CO . 50820 1 694 . 1 . 1 158 158 PHE CA C 13 58.721 0.04 . 1 . . . . . 220 PHE CA . 50820 1 695 . 1 . 1 158 158 PHE CB C 13 42.713 0.03 . 1 . . . . . 220 PHE CB . 50820 1 696 . 1 . 1 158 158 PHE N N 15 120.380 0.02 . 1 . . . . . 220 PHE N . 50820 1 697 . 1 . 1 159 159 PHE H H 1 9.424 0.00 . 1 . . . . . 221 PHE H . 50820 1 698 . 1 . 1 159 159 PHE C C 13 176.373 0.00 . 1 . . . . . 221 PHE CO . 50820 1 699 . 1 . 1 159 159 PHE CA C 13 65.277 0.04 . 1 . . . . . 221 PHE CA . 50820 1 700 . 1 . 1 159 159 PHE CB C 13 37.025 0.07 . 1 . . . . . 221 PHE CB . 50820 1 701 . 1 . 1 159 159 PHE N N 15 115.483 0.01 . 1 . . . . . 221 PHE N . 50820 1 702 . 1 . 1 160 160 SER H H 1 8.361 0.00 . 1 . . . . . 222 SER H . 50820 1 703 . 1 . 1 160 160 SER C C 13 172.168 0.00 . 1 . . . . . 222 SER CO . 50820 1 704 . 1 . 1 160 160 SER CA C 13 57.600 0.04 . 1 . . . . . 222 SER CA . 50820 1 705 . 1 . 1 160 160 SER CB C 13 64.700 0.02 . 1 . . . . . 222 SER CB . 50820 1 706 . 1 . 1 160 160 SER N N 15 113.166 0.01 . 1 . . . . . 222 SER N . 50820 1 707 . 1 . 1 161 161 ASP H H 1 8.548 0.00 . 1 . . . . . 223 ASP H . 50820 1 708 . 1 . 1 161 161 ASP C C 13 175.709 0.00 . 1 . . . . . 223 ASP CO . 50820 1 709 . 1 . 1 161 161 ASP CA C 13 53.564 0.01 . 1 . . . . . 223 ASP CA . 50820 1 710 . 1 . 1 161 161 ASP CB C 13 40.345 0.02 . 1 . . . . . 223 ASP CB . 50820 1 711 . 1 . 1 161 161 ASP N N 15 120.883 0.01 . 1 . . . . . 223 ASP N . 50820 1 712 . 1 . 1 162 162 SER H H 1 8.035 0.00 . 1 . . . . . 224 SER H . 50820 1 713 . 1 . 1 162 162 SER C C 13 174.838 0.00 . 1 . . . . . 224 SER CO . 50820 1 714 . 1 . 1 162 162 SER CA C 13 55.355 0.00 . 1 . . . . . 224 SER CA . 50820 1 715 . 1 . 1 162 162 SER CB C 13 62.871 0.03 . 1 . . . . . 224 SER CB . 50820 1 716 . 1 . 1 162 162 SER N N 15 114.880 0.01 . 1 . . . . . 224 SER N . 50820 1 717 . 1 . 1 163 163 ALA H H 1 9.006 0.00 . 1 . . . . . 225 ALA H . 50820 1 718 . 1 . 1 163 163 ALA C C 13 174.683 0.00 . 1 . . . . . 225 ALA CO . 50820 1 719 . 1 . 1 163 163 ALA CA C 13 51.393 0.01 . 1 . . . . . 225 ALA CA . 50820 1 720 . 1 . 1 163 163 ALA CB C 13 20.698 0.04 . 1 . . . . . 225 ALA CB . 50820 1 721 . 1 . 1 163 163 ALA N N 15 126.326 0.01 . 1 . . . . . 225 ALA N . 50820 1 722 . 1 . 1 164 164 LEU H H 1 9.015 0.00 . 1 . . . . . 226 LEU H . 50820 1 723 . 1 . 1 164 164 LEU C C 13 175.263 0.00 . 1 . . . . . 226 LEU CO . 50820 1 724 . 1 . 1 164 164 LEU CA C 13 53.581 0.00 . 1 . . . . . 226 LEU CA . 50820 1 725 . 1 . 1 164 164 LEU CB C 13 44.919 0.03 . 1 . . . . . 226 LEU CB . 50820 1 726 . 1 . 1 164 164 LEU N N 15 125.837 0.01 . 1 . . . . . 226 LEU N . 50820 1 727 . 1 . 1 165 165 CYS H H 1 8.165 0.00 . 1 . . . . . 227 CYS H . 50820 1 728 . 1 . 1 165 165 CYS C C 13 175.777 0.00 . 1 . . . . . 227 CYS CO . 50820 1 729 . 1 . 1 165 165 CYS CA C 13 58.397 0.04 . 1 . . . . . 227 CYS CA . 50820 1 730 . 1 . 1 165 165 CYS CB C 13 31.280 0.16 . 1 . . . . . 227 CYS CB . 50820 1 731 . 1 . 1 165 165 CYS N N 15 120.984 0.02 . 1 . . . . . 227 CYS N . 50820 1 732 . 1 . 1 166 166 PHE H H 1 7.532 0.01 . 1 . . . . . 228 PHE H . 50820 1 733 . 1 . 1 166 166 PHE CA C 13 55.108 0.00 . 1 . . . . . 228 PHE CA . 50820 1 734 . 1 . 1 166 166 PHE CB C 13 42.864 0.00 . 1 . . . . . 228 PHE CB . 50820 1 735 . 1 . 1 166 166 PHE N N 15 122.199 0.02 . 1 . . . . . 228 PHE N . 50820 1 736 . 1 . 1 169 169 LYS C C 13 175.785 0.00 . 1 . . . . . 231 LYS CO . 50820 1 737 . 1 . 1 169 169 LYS CA C 13 55.027 0.00 . 1 . . . . . 231 LYS CA . 50820 1 738 . 1 . 1 169 169 LYS CB C 13 32.337 0.03 . 1 . . . . . 231 LYS CB . 50820 1 739 . 1 . 1 170 170 PHE H H 1 9.101 0.00 . 1 . . . . . 232 PHE H . 50820 1 740 . 1 . 1 170 170 PHE C C 13 175.652 0.00 . 1 . . . . . 232 PHE CO . 50820 1 741 . 1 . 1 170 170 PHE CA C 13 56.969 0.00 . 1 . . . . . 232 PHE CA . 50820 1 742 . 1 . 1 170 170 PHE CB C 13 40.693 0.01 . 1 . . . . . 232 PHE CB . 50820 1 743 . 1 . 1 170 170 PHE N N 15 126.592 0.01 . 1 . . . . . 232 PHE N . 50820 1 744 . 1 . 1 171 171 GLN H H 1 8.443 0.00 . 1 . . . . . 233 GLN H . 50820 1 745 . 1 . 1 171 171 GLN C C 13 173.184 0.00 . 1 . . . . . 233 GLN CO . 50820 1 746 . 1 . 1 171 171 GLN CA C 13 54.100 0.00 . 1 . . . . . 233 GLN CA . 50820 1 747 . 1 . 1 171 171 GLN CB C 13 32.121 0.01 . 1 . . . . . 233 GLN CB . 50820 1 748 . 1 . 1 171 171 GLN N N 15 121.217 0.01 . 1 . . . . . 233 GLN N . 50820 1 749 . 1 . 1 172 172 PHE H H 1 8.295 0.00 . 1 . . . . . 234 PHE H . 50820 1 750 . 1 . 1 172 172 PHE C C 13 177.219 0.00 . 1 . . . . . 234 PHE CO . 50820 1 751 . 1 . 1 172 172 PHE CA C 13 57.850 0.25 . 1 . . . . . 234 PHE CA . 50820 1 752 . 1 . 1 172 172 PHE CB C 13 41.440 0.00 . 1 . . . . . 234 PHE CB . 50820 1 753 . 1 . 1 172 172 PHE N N 15 116.993 0.01 . 1 . . . . . 234 PHE N . 50820 1 754 . 1 . 1 173 173 LYS H H 1 8.211 0.00 . 1 . . . . . 235 LYS H . 50820 1 755 . 1 . 1 173 173 LYS CA C 13 53.386 0.00 . 1 . . . . . 235 LYS CA . 50820 1 756 . 1 . 1 173 173 LYS N N 15 121.144 0.01 . 1 . . . . . 235 LYS N . 50820 1 757 . 1 . 1 174 174 PRO C C 13 176.654 0.00 . 1 . . . . . 236 PRO CO . 50820 1 758 . 1 . 1 174 174 PRO CA C 13 62.651 0.00 . 1 . . . . . 236 PRO CA . 50820 1 759 . 1 . 1 174 174 PRO CB C 13 34.099 0.01 . 1 . . . . . 236 PRO CB . 50820 1 760 . 1 . 1 175 175 ILE H H 1 8.185 0.00 . 1 . . . . . 237 ILE H . 50820 1 761 . 1 . 1 175 175 ILE C C 13 176.693 0.00 . 1 . . . . . 237 ILE CO . 50820 1 762 . 1 . 1 175 175 ILE CA C 13 61.835 0.01 . 1 . . . . . 237 ILE CA . 50820 1 763 . 1 . 1 175 175 ILE CB C 13 36.534 0.06 . 1 . . . . . 237 ILE CB . 50820 1 764 . 1 . 1 175 175 ILE N N 15 119.080 0.00 . 1 . . . . . 237 ILE N . 50820 1 765 . 1 . 1 176 176 ARG H H 1 7.967 0.00 . 1 . . . . . 238 ARG H . 50820 1 766 . 1 . 1 176 176 ARG C C 13 173.888 0.00 . 1 . . . . . 238 ARG CO . 50820 1 767 . 1 . 1 176 176 ARG CA C 13 54.554 0.01 . 1 . . . . . 238 ARG CA . 50820 1 768 . 1 . 1 176 176 ARG CB C 13 33.130 0.08 . 1 . . . . . 238 ARG CB . 50820 1 769 . 1 . 1 176 176 ARG N N 15 129.967 0.01 . 1 . . . . . 238 ARG N . 50820 1 770 . 1 . 1 177 177 VAL H H 1 8.364 0.00 . 1 . . . . . 239 VAL H . 50820 1 771 . 1 . 1 177 177 VAL C C 13 175.593 0.00 . 1 . . . . . 239 VAL CO . 50820 1 772 . 1 . 1 177 177 VAL CA C 13 59.869 0.01 . 1 . . . . . 239 VAL CA . 50820 1 773 . 1 . 1 177 177 VAL CB C 13 32.498 0.18 . 1 . . . . . 239 VAL CB . 50820 1 774 . 1 . 1 177 177 VAL N N 15 123.058 0.01 . 1 . . . . . 239 VAL N . 50820 1 775 . 1 . 1 178 178 SER H H 1 8.103 0.00 . 1 . . . . . 240 SER H . 50820 1 776 . 1 . 1 178 178 SER C C 13 173.507 0.00 . 1 . . . . . 240 SER CO . 50820 1 777 . 1 . 1 178 178 SER CA C 13 58.270 0.01 . 1 . . . . . 240 SER CA . 50820 1 778 . 1 . 1 178 178 SER CB C 13 63.524 0.00 . 1 . . . . . 240 SER CB . 50820 1 779 . 1 . 1 178 178 SER N N 15 123.196 0.02 . 1 . . . . . 240 SER N . 50820 1 780 . 1 . 1 179 179 GLU H H 1 8.347 0.00 . 1 . . . . . 241 GLU H . 50820 1 781 . 1 . 1 179 179 GLU CA C 13 54.214 0.00 . 1 . . . . . 241 GLU CA . 50820 1 782 . 1 . 1 179 179 GLU CB C 13 28.741 0.00 . 1 . . . . . 241 GLU CB . 50820 1 783 . 1 . 1 179 179 GLU N N 15 120.736 0.01 . 1 . . . . . 241 GLU N . 50820 1 784 . 1 . 1 180 180 PRO C C 13 177.327 0.00 . 1 . . . . . 242 PRO CO . 50820 1 785 . 1 . 1 180 180 PRO CA C 13 62.424 0.01 . 1 . . . . . 242 PRO CA . 50820 1 786 . 1 . 1 180 180 PRO CB C 13 31.790 0.00 . 1 . . . . . 242 PRO CB . 50820 1 787 . 1 . 1 181 181 VAL H H 1 8.380 0.00 . 1 . . . . . 243 VAL H . 50820 1 788 . 1 . 1 181 181 VAL C C 13 175.212 0.00 . 1 . . . . . 243 VAL CO . 50820 1 789 . 1 . 1 181 181 VAL CA C 13 64.892 0.02 . 1 . . . . . 243 VAL CA . 50820 1 790 . 1 . 1 181 181 VAL CB C 13 31.521 0.12 . 1 . . . . . 243 VAL CB . 50820 1 791 . 1 . 1 181 181 VAL N N 15 122.542 0.02 . 1 . . . . . 243 VAL N . 50820 1 792 . 1 . 1 182 182 LEU H H 1 6.945 0.00 . 1 . . . . . 244 LEU H . 50820 1 793 . 1 . 1 182 182 LEU C C 13 174.125 0.00 . 1 . . . . . 244 LEU CO . 50820 1 794 . 1 . 1 182 182 LEU CA C 13 54.349 0.01 . 1 . . . . . 244 LEU CA . 50820 1 795 . 1 . 1 182 182 LEU CB C 13 45.216 0.02 . 1 . . . . . 244 LEU CB . 50820 1 796 . 1 . 1 182 182 LEU N N 15 115.155 0.01 . 1 . . . . . 244 LEU N . 50820 1 797 . 1 . 1 183 183 SER H H 1 8.686 0.00 . 1 . . . . . 245 SER H . 50820 1 798 . 1 . 1 183 183 SER C C 13 172.552 0.00 . 1 . . . . . 245 SER CO . 50820 1 799 . 1 . 1 183 183 SER CA C 13 56.065 0.01 . 1 . . . . . 245 SER CA . 50820 1 800 . 1 . 1 183 183 SER CB C 13 63.321 0.07 . 1 . . . . . 245 SER CB . 50820 1 801 . 1 . 1 183 183 SER N N 15 123.217 0.02 . 1 . . . . . 245 SER N . 50820 1 802 . 1 . 1 184 184 LEU H H 1 9.248 0.00 . 1 . . . . . 246 LEU H . 50820 1 803 . 1 . 1 184 184 LEU CA C 13 50.708 0.00 . 1 . . . . . 246 LEU CA . 50820 1 804 . 1 . 1 184 184 LEU CB C 13 45.000 0.00 . 1 . . . . . 246 LEU CB . 50820 1 805 . 1 . 1 184 184 LEU N N 15 130.236 0.01 . 1 . . . . . 246 LEU N . 50820 1 806 . 1 . 1 186 186 VAL C C 13 176.207 0.00 . 1 . . . . . 248 VAL CO . 50820 1 807 . 1 . 1 186 186 VAL CA C 13 60.139 0.02 . 1 . . . . . 248 VAL CA . 50820 1 808 . 1 . 1 186 186 VAL CB C 13 32.633 0.06 . 1 . . . . . 248 VAL CB . 50820 1 809 . 1 . 1 187 187 ARG H H 1 8.505 0.00 . 1 . . . . . 249 ARG H . 50820 1 810 . 1 . 1 187 187 ARG C C 13 176.587 0.00 . 1 . . . . . 249 ARG CO . 50820 1 811 . 1 . 1 187 187 ARG CA C 13 55.177 0.01 . 1 . . . . . 249 ARG CA . 50820 1 812 . 1 . 1 187 187 ARG CB C 13 30.351 0.10 . 1 . . . . . 249 ARG CB . 50820 1 813 . 1 . 1 187 187 ARG N N 15 128.620 0.01 . 1 . . . . . 249 ARG N . 50820 1 814 . 1 . 1 188 188 ARG H H 1 8.857 0.01 . 1 . . . . . 250 ARG H . 50820 1 815 . 1 . 1 188 188 ARG C C 13 176.920 0.00 . 1 . . . . . 250 ARG CO . 50820 1 816 . 1 . 1 188 188 ARG CA C 13 57.570 0.00 . 1 . . . . . 250 ARG CA . 50820 1 817 . 1 . 1 188 188 ARG CB C 13 29.702 0.10 . 1 . . . . . 250 ARG CB . 50820 1 818 . 1 . 1 188 188 ARG N N 15 125.476 0.01 . 1 . . . . . 250 ARG N . 50820 1 819 . 1 . 1 189 189 GLY H H 1 9.171 0.00 . 1 . . . . . 251 GLY H . 50820 1 820 . 1 . 1 189 189 GLY C C 13 173.106 0.00 . 1 . . . . . 251 GLY CO . 50820 1 821 . 1 . 1 189 189 GLY CA C 13 46.029 0.02 . 1 . . . . . 251 GLY CA . 50820 1 822 . 1 . 1 189 189 GLY N N 15 117.372 0.01 . 1 . . . . . 251 GLY N . 50820 1 823 . 1 . 1 190 190 SER H H 1 8.022 0.00 . 1 . . . . . 252 SER H . 50820 1 824 . 1 . 1 190 190 SER C C 13 172.996 0.00 . 1 . . . . . 252 SER CO . 50820 1 825 . 1 . 1 190 190 SER CA C 13 58.082 0.01 . 1 . . . . . 252 SER CA . 50820 1 826 . 1 . 1 190 190 SER CB C 13 64.723 0.03 . 1 . . . . . 252 SER CB . 50820 1 827 . 1 . 1 190 190 SER N N 15 114.880 0.01 . 1 . . . . . 252 SER N . 50820 1 828 . 1 . 1 191 191 VAL H H 1 8.989 0.00 . 1 . . . . . 253 VAL H . 50820 1 829 . 1 . 1 191 191 VAL C C 13 174.390 0.00 . 1 . . . . . 253 VAL CO . 50820 1 830 . 1 . 1 191 191 VAL CA C 13 59.795 0.02 . 1 . . . . . 253 VAL CA . 50820 1 831 . 1 . 1 191 191 VAL CB C 13 33.144 0.00 . 1 . . . . . 253 VAL CB . 50820 1 832 . 1 . 1 191 191 VAL N N 15 123.750 0.00 . 1 . . . . . 253 VAL N . 50820 1 833 . 1 . 1 192 192 THR H H 1 9.232 0.00 . 1 . . . . . 254 THR H . 50820 1 834 . 1 . 1 192 192 THR C C 13 172.887 0.00 . 1 . . . . . 254 THR CO . 50820 1 835 . 1 . 1 192 192 THR CA C 13 62.017 0.01 . 1 . . . . . 254 THR CA . 50820 1 836 . 1 . 1 192 192 THR CB C 13 69.510 0.02 . 1 . . . . . 254 THR CB . 50820 1 837 . 1 . 1 192 192 THR N N 15 124.789 0.00 . 1 . . . . . 254 THR N . 50820 1 838 . 1 . 1 193 193 VAL H H 1 9.351 0.00 . 1 . . . . . 255 VAL H . 50820 1 839 . 1 . 1 193 193 VAL C C 13 175.502 0.00 . 1 . . . . . 255 VAL CO . 50820 1 840 . 1 . 1 193 193 VAL CA C 13 60.878 0.01 . 1 . . . . . 255 VAL CA . 50820 1 841 . 1 . 1 193 193 VAL CB C 13 32.484 0.03 . 1 . . . . . 255 VAL CB . 50820 1 842 . 1 . 1 193 193 VAL N N 15 128.955 0.01 . 1 . . . . . 255 VAL N . 50820 1 843 . 1 . 1 194 194 LEU H H 1 8.967 0.00 . 1 . . . . . 256 LEU H . 50820 1 844 . 1 . 1 194 194 LEU C C 13 175.344 0.00 . 1 . . . . . 256 LEU CO . 50820 1 845 . 1 . 1 194 194 LEU CA C 13 53.135 0.01 . 1 . . . . . 256 LEU CA . 50820 1 846 . 1 . 1 194 194 LEU CB C 13 43.626 0.02 . 1 . . . . . 256 LEU CB . 50820 1 847 . 1 . 1 194 194 LEU N N 15 126.855 0.01 . 1 . . . . . 256 LEU N . 50820 1 848 . 1 . 1 195 195 SER H H 1 9.261 0.00 . 1 . . . . . 257 SER H . 50820 1 849 . 1 . 1 195 195 SER C C 13 172.732 0.00 . 1 . . . . . 257 SER CO . 50820 1 850 . 1 . 1 195 195 SER CA C 13 56.685 0.01 . 1 . . . . . 257 SER CA . 50820 1 851 . 1 . 1 195 195 SER CB C 13 65.684 0.01 . 1 . . . . . 257 SER CB . 50820 1 852 . 1 . 1 195 195 SER N N 15 117.229 0.01 . 1 . . . . . 257 SER N . 50820 1 853 . 1 . 1 196 196 GLY H H 1 8.931 0.00 . 1 . . . . . 258 GLY H . 50820 1 854 . 1 . 1 196 196 GLY C C 13 175.186 0.00 . 1 . . . . . 258 GLY CO . 50820 1 855 . 1 . 1 196 196 GLY CA C 13 46.056 0.01 . 1 . . . . . 258 GLY CA . 50820 1 856 . 1 . 1 196 196 GLY N N 15 107.388 0.01 . 1 . . . . . 258 GLY N . 50820 1 857 . 1 . 1 197 197 TYR H H 1 8.809 0.00 . 1 . . . . . 259 TYR H . 50820 1 858 . 1 . 1 197 197 TYR C C 13 177.773 0.00 . 1 . . . . . 259 TYR CO . 50820 1 859 . 1 . 1 197 197 TYR CA C 13 61.803 0.02 . 1 . . . . . 259 TYR CA . 50820 1 860 . 1 . 1 197 197 TYR CB C 13 38.760 0.04 . 1 . . . . . 259 TYR CB . 50820 1 861 . 1 . 1 197 197 TYR N N 15 127.914 0.01 . 1 . . . . . 259 TYR N . 50820 1 862 . 1 . 1 198 198 ALA H H 1 7.220 0.00 . 1 . . . . . 260 ALA H . 50820 1 863 . 1 . 1 198 198 ALA C C 13 176.118 0.00 . 1 . . . . . 260 ALA CO . 50820 1 864 . 1 . 1 198 198 ALA CA C 13 53.794 0.01 . 1 . . . . . 260 ALA CA . 50820 1 865 . 1 . 1 198 198 ALA CB C 13 18.307 0.04 . 1 . . . . . 260 ALA CB . 50820 1 866 . 1 . 1 198 198 ALA N N 15 113.379 0.02 . 1 . . . . . 260 ALA N . 50820 1 867 . 1 . 1 199 199 ALA H H 1 6.859 0.00 . 1 . . . . . 261 ALA H . 50820 1 868 . 1 . 1 199 199 ALA C C 13 178.766 0.00 . 1 . . . . . 261 ALA CO . 50820 1 869 . 1 . 1 199 199 ALA CA C 13 51.313 0.01 . 1 . . . . . 261 ALA CA . 50820 1 870 . 1 . 1 199 199 ALA CB C 13 19.039 0.08 . 1 . . . . . 261 ALA CB . 50820 1 871 . 1 . 1 199 199 ALA N N 15 114.739 0.01 . 1 . . . . . 261 ALA N . 50820 1 872 . 1 . 1 200 200 ASP H H 1 7.825 0.00 . 1 . . . . . 262 ASP H . 50820 1 873 . 1 . 1 200 200 ASP C C 13 177.803 0.00 . 1 . . . . . 262 ASP CO . 50820 1 874 . 1 . 1 200 200 ASP CA C 13 55.747 0.02 . 1 . . . . . 262 ASP CA . 50820 1 875 . 1 . 1 200 200 ASP CB C 13 42.113 0.04 . 1 . . . . . 262 ASP CB . 50820 1 876 . 1 . 1 200 200 ASP N N 15 115.862 0.02 . 1 . . . . . 262 ASP N . 50820 1 877 . 1 . 1 201 201 GLU H H 1 7.867 0.00 . 1 . . . . . 263 GLU H . 50820 1 878 . 1 . 1 201 201 GLU C C 13 173.668 0.00 . 1 . . . . . 263 GLU CO . 50820 1 879 . 1 . 1 201 201 GLU CA C 13 55.709 0.01 . 1 . . . . . 263 GLU CA . 50820 1 880 . 1 . 1 201 201 GLU CB C 13 29.334 0.03 . 1 . . . . . 263 GLU CB . 50820 1 881 . 1 . 1 201 201 GLU N N 15 117.150 0.02 . 1 . . . . . 263 GLU N . 50820 1 882 . 1 . 1 202 202 ILE H H 1 7.151 0.00 . 1 . . . . . 264 ILE H . 50820 1 883 . 1 . 1 202 202 ILE C C 13 172.430 0.00 . 1 . . . . . 264 ILE CO . 50820 1 884 . 1 . 1 202 202 ILE CA C 13 58.466 0.02 . 1 . . . . . 264 ILE CA . 50820 1 885 . 1 . 1 202 202 ILE CB C 13 40.426 0.06 . 1 . . . . . 264 ILE CB . 50820 1 886 . 1 . 1 202 202 ILE N N 15 118.125 0.02 . 1 . . . . . 264 ILE N . 50820 1 887 . 1 . 1 203 203 THR H H 1 7.564 0.00 . 1 . . . . . 265 THR H . 50820 1 888 . 1 . 1 203 203 THR C C 13 174.936 0.00 . 1 . . . . . 265 THR CO . 50820 1 889 . 1 . 1 203 203 THR CA C 13 60.223 0.03 . 1 . . . . . 265 THR CA . 50820 1 890 . 1 . 1 203 203 THR CB C 13 70.522 0.05 . 1 . . . . . 265 THR CB . 50820 1 891 . 1 . 1 203 203 THR N N 15 115.087 0.01 . 1 . . . . . 265 THR N . 50820 1 892 . 1 . 1 204 204 HIS H H 1 8.211 0.01 . 1 . . . . . 266 HIS H . 50820 1 893 . 1 . 1 204 204 HIS C C 13 173.470 0.00 . 1 . . . . . 266 HIS CO . 50820 1 894 . 1 . 1 204 204 HIS CA C 13 54.434 0.04 . 1 . . . . . 266 HIS CA . 50820 1 895 . 1 . 1 204 204 HIS CB C 13 30.230 0.03 . 1 . . . . . 266 HIS CB . 50820 1 896 . 1 . 1 204 204 HIS N N 15 112.869 0.01 . 1 . . . . . 266 HIS N . 50820 1 897 . 1 . 1 205 205 CYS H H 1 8.823 0.00 . 1 . . . . . 267 CYS H . 50820 1 898 . 1 . 1 205 205 CYS C C 13 171.057 0.00 . 1 . . . . . 267 CYS CO . 50820 1 899 . 1 . 1 205 205 CYS CA C 13 55.721 0.05 . 1 . . . . . 267 CYS CA . 50820 1 900 . 1 . 1 205 205 CYS CB C 13 32.216 0.13 . 1 . . . . . 267 CYS CB . 50820 1 901 . 1 . 1 205 205 CYS N N 15 113.509 0.01 . 1 . . . . . 267 CYS N . 50820 1 902 . 1 . 1 206 206 ILE H H 1 7.854 0.01 . 1 . . . . . 268 ILE H . 50820 1 903 . 1 . 1 206 206 ILE C C 13 176.037 0.00 . 1 . . . . . 268 ILE CO . 50820 1 904 . 1 . 1 206 206 ILE CA C 13 60.020 0.00 . 1 . . . . . 268 ILE CA . 50820 1 905 . 1 . 1 206 206 ILE CB C 13 39.419 0.03 . 1 . . . . . 268 ILE CB . 50820 1 906 . 1 . 1 206 206 ILE N N 15 118.186 0.01 . 1 . . . . . 268 ILE N . 50820 1 907 . 1 . 1 207 207 ARG H H 1 9.277 0.01 . 1 . . . . . 269 ARG H . 50820 1 908 . 1 . 1 207 207 ARG CA C 13 53.822 0.00 . 1 . . . . . 269 ARG CA . 50820 1 909 . 1 . 1 207 207 ARG CB C 13 28.605 0.00 . 1 . . . . . 269 ARG CB . 50820 1 910 . 1 . 1 207 207 ARG N N 15 125.578 0.01 . 1 . . . . . 269 ARG N . 50820 1 911 . 1 . 1 209 209 GLN C C 13 175.844 0.00 . 1 . . . . . 271 GLN CO . 50820 1 912 . 1 . 1 209 209 GLN CA C 13 56.114 0.00 . 1 . . . . . 271 GLN CA . 50820 1 913 . 1 . 1 209 209 GLN CB C 13 27.392 0.06 . 1 . . . . . 271 GLN CB . 50820 1 914 . 1 . 1 210 210 ASP H H 1 7.673 0.01 . 1 . . . . . 272 ASP H . 50820 1 915 . 1 . 1 210 210 ASP C C 13 176.997 0.00 . 1 . . . . . 272 ASP CO . 50820 1 916 . 1 . 1 210 210 ASP CA C 13 54.391 0.04 . 1 . . . . . 272 ASP CA . 50820 1 917 . 1 . 1 210 210 ASP CB C 13 40.606 0.13 . 1 . . . . . 272 ASP CB . 50820 1 918 . 1 . 1 210 210 ASP N N 15 117.772 0.03 . 1 . . . . . 272 ASP N . 50820 1 919 . 1 . 1 211 211 ILE H H 1 7.510 0.01 . 1 . . . . . 273 ILE H . 50820 1 920 . 1 . 1 211 211 ILE C C 13 175.072 0.00 . 1 . . . . . 273 ILE CO . 50820 1 921 . 1 . 1 211 211 ILE CA C 13 59.702 0.01 . 1 . . . . . 273 ILE CA . 50820 1 922 . 1 . 1 211 211 ILE CB C 13 34.752 0.05 . 1 . . . . . 273 ILE CB . 50820 1 923 . 1 . 1 211 211 ILE N N 15 126.694 0.02 . 1 . . . . . 273 ILE N . 50820 1 924 . 1 . 1 212 212 LYS H H 1 8.370 0.01 . 1 . . . . . 274 LYS H . 50820 1 925 . 1 . 1 212 212 LYS C C 13 175.877 0.00 . 1 . . . . . 274 LYS CO . 50820 1 926 . 1 . 1 212 212 LYS CA C 13 56.340 0.08 . 1 . . . . . 274 LYS CA . 50820 1 927 . 1 . 1 212 212 LYS CB C 13 32.471 0.09 . 1 . . . . . 274 LYS CB . 50820 1 928 . 1 . 1 212 212 LYS N N 15 126.396 0.01 . 1 . . . . . 274 LYS N . 50820 1 929 . 1 . 1 213 213 GLU H H 1 7.694 0.01 . 1 . . . . . 275 GLU H . 50820 1 930 . 1 . 1 213 213 GLU C C 13 172.994 0.00 . 1 . . . . . 275 GLU CO . 50820 1 931 . 1 . 1 213 213 GLU CA C 13 53.479 0.01 . 1 . . . . . 275 GLU CA . 50820 1 932 . 1 . 1 213 213 GLU CB C 13 32.917 0.03 . 1 . . . . . 275 GLU CB . 50820 1 933 . 1 . 1 213 213 GLU N N 15 117.834 0.02 . 1 . . . . . 275 GLU N . 50820 1 934 . 1 . 1 214 214 ARG H H 1 8.338 0.00 . 1 . . . . . 276 ARG H . 50820 1 935 . 1 . 1 214 214 ARG C C 13 176.298 0.00 . 1 . . . . . 276 ARG CO . 50820 1 936 . 1 . 1 214 214 ARG CA C 13 56.883 0.03 . 1 . . . . . 276 ARG CA . 50820 1 937 . 1 . 1 214 214 ARG CB C 13 28.934 0.02 . 1 . . . . . 276 ARG CB . 50820 1 938 . 1 . 1 214 214 ARG N N 15 120.136 0.01 . 1 . . . . . 276 ARG N . 50820 1 939 . 1 . 1 215 215 ARG H H 1 8.562 0.00 . 1 . . . . . 277 ARG H . 50820 1 940 . 1 . 1 215 215 ARG C C 13 172.773 0.00 . 1 . . . . . 277 ARG CO . 50820 1 941 . 1 . 1 215 215 ARG CA C 13 54.905 0.00 . 1 . . . . . 277 ARG CA . 50820 1 942 . 1 . 1 215 215 ARG CB C 13 33.325 0.05 . 1 . . . . . 277 ARG CB . 50820 1 943 . 1 . 1 215 215 ARG N N 15 128.491 0.02 . 1 . . . . . 277 ARG N . 50820 1 944 . 1 . 1 216 216 ALA H H 1 7.977 0.00 . 1 . . . . . 278 ALA H . 50820 1 945 . 1 . 1 216 216 ALA C C 13 175.291 0.00 . 1 . . . . . 278 ALA CO . 50820 1 946 . 1 . 1 216 216 ALA CA C 13 50.128 0.02 . 1 . . . . . 278 ALA CA . 50820 1 947 . 1 . 1 216 216 ALA CB C 13 22.420 0.20 . 1 . . . . . 278 ALA CB . 50820 1 948 . 1 . 1 216 216 ALA N N 15 124.608 0.03 . 1 . . . . . 278 ALA N . 50820 1 949 . 1 . 1 217 217 VAL H H 1 9.291 0.00 . 1 . . . . . 279 VAL H . 50820 1 950 . 1 . 1 217 217 VAL C C 13 175.019 0.00 . 1 . . . . . 279 VAL CO . 50820 1 951 . 1 . 1 217 217 VAL CA C 13 59.346 0.07 . 1 . . . . . 279 VAL CA . 50820 1 952 . 1 . 1 217 217 VAL CB C 13 35.493 0.11 . 1 . . . . . 279 VAL CB . 50820 1 953 . 1 . 1 217 217 VAL N N 15 121.088 0.01 . 1 . . . . . 279 VAL N . 50820 1 954 . 1 . 1 218 218 ILE H H 1 9.391 0.00 . 1 . . . . . 280 ILE H . 50820 1 955 . 1 . 1 218 218 ILE C C 13 174.808 0.00 . 1 . . . . . 280 ILE CO . 50820 1 956 . 1 . 1 218 218 ILE CA C 13 59.897 0.05 . 1 . . . . . 280 ILE CA . 50820 1 957 . 1 . 1 218 218 ILE CB C 13 38.594 0.03 . 1 . . . . . 280 ILE CB . 50820 1 958 . 1 . 1 218 218 ILE N N 15 125.922 0.02 . 1 . . . . . 280 ILE N . 50820 1 959 . 1 . 1 219 219 ILE H H 1 9.704 0.00 . 1 . . . . . 281 ILE H . 50820 1 960 . 1 . 1 219 219 ILE C C 13 175.889 0.00 . 1 . . . . . 281 ILE CO . 50820 1 961 . 1 . 1 219 219 ILE CA C 13 60.408 0.03 . 1 . . . . . 281 ILE CA . 50820 1 962 . 1 . 1 219 219 ILE CB C 13 37.929 0.13 . 1 . . . . . 281 ILE CB . 50820 1 963 . 1 . 1 219 219 ILE N N 15 129.224 0.00 . 1 . . . . . 281 ILE N . 50820 1 964 . 1 . 1 220 220 LEU H H 1 9.639 0.00 . 1 . . . . . 282 LEU H . 50820 1 965 . 1 . 1 220 220 LEU C C 13 174.454 0.00 . 1 . . . . . 282 LEU CO . 50820 1 966 . 1 . 1 220 220 LEU CA C 13 53.272 0.02 . 1 . . . . . 282 LEU CA . 50820 1 967 . 1 . 1 220 220 LEU CB C 13 41.507 0.03 . 1 . . . . . 282 LEU CB . 50820 1 968 . 1 . 1 220 220 LEU N N 15 132.190 0.02 . 1 . . . . . 282 LEU N . 50820 1 969 . 1 . 1 221 221 ARG H H 1 8.207 0.00 . 1 . . . . . 283 ARG H . 50820 1 970 . 1 . 1 221 221 ARG C C 13 174.271 0.00 . 1 . . . . . 283 ARG CO . 50820 1 971 . 1 . 1 221 221 ARG CA C 13 53.260 0.01 . 1 . . . . . 283 ARG CA . 50820 1 972 . 1 . 1 221 221 ARG CB C 13 37.847 0.04 . 1 . . . . . 283 ARG CB . 50820 1 973 . 1 . 1 221 221 ARG N N 15 118.927 0.01 . 1 . . . . . 283 ARG N . 50820 1 974 . 1 . 1 222 222 LYS H H 1 9.115 0.00 . 1 . . . . . 284 LYS H . 50820 1 975 . 1 . 1 222 222 LYS C C 13 177.485 0.00 . 1 . . . . . 284 LYS CO . 50820 1 976 . 1 . 1 222 222 LYS CA C 13 53.845 0.03 . 1 . . . . . 284 LYS CA . 50820 1 977 . 1 . 1 222 222 LYS CB C 13 33.988 0.04 . 1 . . . . . 284 LYS CB . 50820 1 978 . 1 . 1 222 222 LYS N N 15 125.305 0.02 . 1 . . . . . 284 LYS N . 50820 1 979 . 1 . 1 223 223 THR H H 1 9.442 0.01 . 1 . . . . . 285 THR H . 50820 1 980 . 1 . 1 223 223 THR C C 13 175.048 0.00 . 1 . . . . . 285 THR CO . 50820 1 981 . 1 . 1 223 223 THR CA C 13 60.618 0.02 . 1 . . . . . 285 THR CA . 50820 1 982 . 1 . 1 223 223 THR CB C 13 68.508 0.13 . 1 . . . . . 285 THR CB . 50820 1 983 . 1 . 1 223 223 THR N N 15 120.559 0.04 . 1 . . . . . 285 THR N . 50820 1 984 . 1 . 1 224 224 ARG H H 1 8.354 0.00 . 1 . . . . . 286 ARG H . 50820 1 985 . 1 . 1 224 224 ARG CA C 13 55.668 0.00 . 1 . . . . . 286 ARG CA . 50820 1 986 . 1 . 1 224 224 ARG CB C 13 31.046 0.00 . 1 . . . . . 286 ARG CB . 50820 1 987 . 1 . 1 224 224 ARG N N 15 121.904 0.01 . 1 . . . . . 286 ARG N . 50820 1 988 . 1 . 1 226 226 ASP C C 13 175.787 0.00 . 1 . . . . . 288 ASP CO . 50820 1 989 . 1 . 1 226 226 ASP CA C 13 51.854 0.00 . 1 . . . . . 288 ASP CA . 50820 1 990 . 1 . 1 226 226 ASP CB C 13 39.006 0.00 . 1 . . . . . 288 ASP CB . 50820 1 991 . 1 . 1 227 227 ALA H H 1 7.015 0.00 . 1 . . . . . 289 ALA H . 50820 1 992 . 1 . 1 227 227 ALA CA C 13 50.119 0.00 . 1 . . . . . 289 ALA CA . 50820 1 993 . 1 . 1 227 227 ALA CB C 13 18.503 0.00 . 1 . . . . . 289 ALA CB . 50820 1 994 . 1 . 1 227 227 ALA N N 15 123.248 0.02 . 1 . . . . . 289 ALA N . 50820 1 995 . 1 . 1 228 228 PRO C C 13 175.614 0.00 . 1 . . . . . 290 PRO CO . 50820 1 996 . 1 . 1 228 228 PRO CA C 13 62.253 0.02 . 1 . . . . . 290 PRO CA . 50820 1 997 . 1 . 1 228 228 PRO CB C 13 31.300 0.00 . 1 . . . . . 290 PRO CB . 50820 1 998 . 1 . 1 229 229 ARG H H 1 8.163 0.00 . 1 . . . . . 291 ARG H . 50820 1 999 . 1 . 1 229 229 ARG C C 13 176.366 0.00 . 1 . . . . . 291 ARG CO . 50820 1 1000 . 1 . 1 229 229 ARG CA C 13 53.847 0.04 . 1 . . . . . 291 ARG CA . 50820 1 1001 . 1 . 1 229 229 ARG CB C 13 31.550 0.43 . 1 . . . . . 291 ARG CB . 50820 1 1002 . 1 . 1 229 229 ARG N N 15 120.837 0.04 . 1 . . . . . 291 ARG N . 50820 1 1003 . 1 . 1 230 230 LEU H H 1 7.973 0.01 . 1 . . . . . 292 LEU H . 50820 1 1004 . 1 . 1 230 230 LEU CA C 13 56.845 0.00 . 1 . . . . . 292 LEU CA . 50820 1 1005 . 1 . 1 230 230 LEU CB C 13 42.610 0.00 . 1 . . . . . 292 LEU CB . 50820 1 1006 . 1 . 1 230 230 LEU N N 15 128.912 0.01 . 1 . . . . . 292 LEU N . 50820 1 stop_ save_