data_50831 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50831 _Entry.Title ; 1H, 15N, 13C, backbone resonance assignment of the 5'-GG(m6A)CT-3' bound human Alkbh5, pH 6.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-14 _Entry.Accession_date 2021-03-14 _Entry.Last_release_date 2021-04-01 _Entry.Original_release_date 2021-04-01 _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. . . 50831 2 Vincenzo Venditti . . . . 50831 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50831 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1115 50831 '15N chemical shifts' 344 50831 '1H chemical shifts' 344 50831 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 2021-03-14 update BMRB 'update entry citation' 50831 1 . . 2021-04-06 2021-03-14 original author 'original release' 50831 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50820 'human apo Alkbh5' 50831 BMRB 50821 'Zn/aKG bound human Alkbh5' 50831 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50831 _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. . . 50831 1 2 Trang Nguyen T. T. . . 50831 1 3 Balabhadra Khatiwada B. . . . 50831 1 4 Aayushi Singh A. . . . 50831 1 5 Vincenzo Venditti V. . . . 50831 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50831 _Assembly.ID 1 _Assembly.Name 'Alkbh5 66-292' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 26375 _Assembly.Enzyme_commission_number . _Assembly.Details ; Here, two sets of backbone chemical shift resonances of Alkbh5, State A and State B, are reported. 28 residues display unique chemical shifts when comparing State A and State B. Chemical shifts of Alkbh5 in State A correspond to the "offline" configuration of alpha-ketoglutarate, which is accessible from DNA/RNA binding. The unique chemical shifts observed in State B correspond to the "online" configuration of alpha-ketoglutarate, which is a rearrangement that only occurs when the modified methyl group of adenosine at the sixth position (m6A) is present. ; _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 . . . 50831 1 2 'Alkbh5 66-292, chain 2' 1 $entity_1 . . yes native no no . . . 50831 1 3 'ZN ion' 2 $entity_ZN . . no native no no . . . 50831 1 4 AKG 3 $entity_AKG . . no native no no . . . 50831 1 5 GG(m6A)CT 4 $entity_4 . . no native no no . . . 50831 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' 50831 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50831 _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 yes _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' 50831 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 . 50831 1 2 64 HIS . 50831 1 3 65 MET . 50831 1 4 66 PRO . 50831 1 5 67 GLU . 50831 1 6 68 ARG . 50831 1 7 69 SER . 50831 1 8 70 ASP . 50831 1 9 71 TYR . 50831 1 10 72 GLU . 50831 1 11 73 GLU . 50831 1 12 74 GLN . 50831 1 13 75 GLN . 50831 1 14 76 LEU . 50831 1 15 77 GLN . 50831 1 16 78 LYS . 50831 1 17 79 GLU . 50831 1 18 80 GLU . 50831 1 19 81 GLU . 50831 1 20 82 ALA . 50831 1 21 83 ARG . 50831 1 22 84 LYS . 50831 1 23 85 VAL . 50831 1 24 86 LYS . 50831 1 25 87 SER . 50831 1 26 88 GLY . 50831 1 27 89 ILE . 50831 1 28 90 ARG . 50831 1 29 91 GLN . 50831 1 30 92 MET . 50831 1 31 93 ARG . 50831 1 32 94 LEU . 50831 1 33 95 PHE . 50831 1 34 96 SER . 50831 1 35 97 GLN . 50831 1 36 98 ASP . 50831 1 37 99 GLU . 50831 1 38 100 CYS . 50831 1 39 101 ALA . 50831 1 40 102 LYS . 50831 1 41 103 ILE . 50831 1 42 104 GLU . 50831 1 43 105 ALA . 50831 1 44 106 ARG . 50831 1 45 107 ILE . 50831 1 46 108 ASP . 50831 1 47 109 GLU . 50831 1 48 110 VAL . 50831 1 49 111 VAL . 50831 1 50 112 SER . 50831 1 51 113 ARG . 50831 1 52 114 ALA . 50831 1 53 115 GLU . 50831 1 54 116 LYS . 50831 1 55 117 GLY . 50831 1 56 118 LEU . 50831 1 57 119 TYR . 50831 1 58 120 ASN . 50831 1 59 121 GLU . 50831 1 60 122 HIS . 50831 1 61 123 THR . 50831 1 62 124 VAL . 50831 1 63 125 ASP . 50831 1 64 126 ARG . 50831 1 65 127 ALA . 50831 1 66 128 PRO . 50831 1 67 129 LEU . 50831 1 68 130 ARG . 50831 1 69 131 ASN . 50831 1 70 132 LYS . 50831 1 71 133 TYR . 50831 1 72 134 PHE . 50831 1 73 135 PHE . 50831 1 74 136 GLY . 50831 1 75 137 GLU . 50831 1 76 138 GLY . 50831 1 77 139 TYR . 50831 1 78 140 THR . 50831 1 79 141 TYR . 50831 1 80 142 GLY . 50831 1 81 143 ALA . 50831 1 82 144 GLN . 50831 1 83 145 LEU . 50831 1 84 146 GLN . 50831 1 85 147 LYS . 50831 1 86 148 ARG . 50831 1 87 149 GLY . 50831 1 88 150 PRO . 50831 1 89 151 GLY . 50831 1 90 152 GLN . 50831 1 91 153 GLU . 50831 1 92 154 ARG . 50831 1 93 155 LEU . 50831 1 94 156 TYR . 50831 1 95 157 PRO . 50831 1 96 158 PRO . 50831 1 97 159 GLY . 50831 1 98 160 ASP . 50831 1 99 161 VAL . 50831 1 100 162 ASP . 50831 1 101 163 GLU . 50831 1 102 164 ILE . 50831 1 103 165 PRO . 50831 1 104 166 GLU . 50831 1 105 167 TRP . 50831 1 106 168 VAL . 50831 1 107 169 HIS . 50831 1 108 170 GLN . 50831 1 109 171 LEU . 50831 1 110 172 VAL . 50831 1 111 173 ILE . 50831 1 112 174 GLN . 50831 1 113 175 LYS . 50831 1 114 176 LEU . 50831 1 115 177 VAL . 50831 1 116 178 GLU . 50831 1 117 179 HIS . 50831 1 118 180 ARG . 50831 1 119 181 VAL . 50831 1 120 182 ILE . 50831 1 121 183 PRO . 50831 1 122 184 GLU . 50831 1 123 185 GLY . 50831 1 124 186 PHE . 50831 1 125 187 VAL . 50831 1 126 188 ASN . 50831 1 127 189 SER . 50831 1 128 190 ALA . 50831 1 129 191 VAL . 50831 1 130 192 ILE . 50831 1 131 193 ASN . 50831 1 132 194 ASP . 50831 1 133 195 TYR . 50831 1 134 196 GLN . 50831 1 135 197 PRO . 50831 1 136 198 GLY . 50831 1 137 199 GLY . 50831 1 138 200 CYS . 50831 1 139 201 ILE . 50831 1 140 202 VAL . 50831 1 141 203 SER . 50831 1 142 204 HIS . 50831 1 143 205 VAL . 50831 1 144 206 ASP . 50831 1 145 207 PRO . 50831 1 146 208 ILE . 50831 1 147 209 HIS . 50831 1 148 210 ILE . 50831 1 149 211 PHE . 50831 1 150 212 GLU . 50831 1 151 213 ARG . 50831 1 152 214 PRO . 50831 1 153 215 ILE . 50831 1 154 216 VAL . 50831 1 155 217 SER . 50831 1 156 218 VAL . 50831 1 157 219 SER . 50831 1 158 220 PHE . 50831 1 159 221 PHE . 50831 1 160 222 SER . 50831 1 161 223 ASP . 50831 1 162 224 SER . 50831 1 163 225 ALA . 50831 1 164 226 LEU . 50831 1 165 227 CYS . 50831 1 166 228 PHE . 50831 1 167 229 GLY . 50831 1 168 230 CYS . 50831 1 169 231 LYS . 50831 1 170 232 PHE . 50831 1 171 233 GLN . 50831 1 172 234 PHE . 50831 1 173 235 LYS . 50831 1 174 236 PRO . 50831 1 175 237 ILE . 50831 1 176 238 ARG . 50831 1 177 239 VAL . 50831 1 178 240 SER . 50831 1 179 241 GLU . 50831 1 180 242 PRO . 50831 1 181 243 VAL . 50831 1 182 244 LEU . 50831 1 183 245 SER . 50831 1 184 246 LEU . 50831 1 185 247 PRO . 50831 1 186 248 VAL . 50831 1 187 249 ARG . 50831 1 188 250 ARG . 50831 1 189 251 GLY . 50831 1 190 252 SER . 50831 1 191 253 VAL . 50831 1 192 254 THR . 50831 1 193 255 VAL . 50831 1 194 256 LEU . 50831 1 195 257 SER . 50831 1 196 258 GLY . 50831 1 197 259 TYR . 50831 1 198 260 ALA . 50831 1 199 261 ALA . 50831 1 200 262 ASP . 50831 1 201 263 GLU . 50831 1 202 264 ILE . 50831 1 203 265 THR . 50831 1 204 266 HIS . 50831 1 205 267 CYS . 50831 1 206 268 ILE . 50831 1 207 269 ARG . 50831 1 208 270 PRO . 50831 1 209 271 GLN . 50831 1 210 272 ASP . 50831 1 211 273 ILE . 50831 1 212 274 LYS . 50831 1 213 275 GLU . 50831 1 214 276 ARG . 50831 1 215 277 ARG . 50831 1 216 278 ALA . 50831 1 217 279 VAL . 50831 1 218 280 ILE . 50831 1 219 281 ILE . 50831 1 220 282 LEU . 50831 1 221 283 ARG . 50831 1 222 284 LYS . 50831 1 223 285 THR . 50831 1 224 286 ARG . 50831 1 225 287 LEU . 50831 1 226 288 ASP . 50831 1 227 289 ALA . 50831 1 228 290 PRO . 50831 1 229 291 ARG . 50831 1 230 292 LEU . 50831 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 50831 1 . HIS 2 2 50831 1 . MET 3 3 50831 1 . PRO 4 4 50831 1 . GLU 5 5 50831 1 . ARG 6 6 50831 1 . SER 7 7 50831 1 . ASP 8 8 50831 1 . TYR 9 9 50831 1 . GLU 10 10 50831 1 . GLU 11 11 50831 1 . GLN 12 12 50831 1 . GLN 13 13 50831 1 . LEU 14 14 50831 1 . GLN 15 15 50831 1 . LYS 16 16 50831 1 . GLU 17 17 50831 1 . GLU 18 18 50831 1 . GLU 19 19 50831 1 . ALA 20 20 50831 1 . ARG 21 21 50831 1 . LYS 22 22 50831 1 . VAL 23 23 50831 1 . LYS 24 24 50831 1 . SER 25 25 50831 1 . GLY 26 26 50831 1 . ILE 27 27 50831 1 . ARG 28 28 50831 1 . GLN 29 29 50831 1 . MET 30 30 50831 1 . ARG 31 31 50831 1 . LEU 32 32 50831 1 . PHE 33 33 50831 1 . SER 34 34 50831 1 . GLN 35 35 50831 1 . ASP 36 36 50831 1 . GLU 37 37 50831 1 . CYS 38 38 50831 1 . ALA 39 39 50831 1 . LYS 40 40 50831 1 . ILE 41 41 50831 1 . GLU 42 42 50831 1 . ALA 43 43 50831 1 . ARG 44 44 50831 1 . ILE 45 45 50831 1 . ASP 46 46 50831 1 . GLU 47 47 50831 1 . VAL 48 48 50831 1 . VAL 49 49 50831 1 . SER 50 50 50831 1 . ARG 51 51 50831 1 . ALA 52 52 50831 1 . GLU 53 53 50831 1 . LYS 54 54 50831 1 . GLY 55 55 50831 1 . LEU 56 56 50831 1 . TYR 57 57 50831 1 . ASN 58 58 50831 1 . GLU 59 59 50831 1 . HIS 60 60 50831 1 . THR 61 61 50831 1 . VAL 62 62 50831 1 . ASP 63 63 50831 1 . ARG 64 64 50831 1 . ALA 65 65 50831 1 . PRO 66 66 50831 1 . LEU 67 67 50831 1 . ARG 68 68 50831 1 . ASN 69 69 50831 1 . LYS 70 70 50831 1 . TYR 71 71 50831 1 . PHE 72 72 50831 1 . PHE 73 73 50831 1 . GLY 74 74 50831 1 . GLU 75 75 50831 1 . GLY 76 76 50831 1 . TYR 77 77 50831 1 . THR 78 78 50831 1 . TYR 79 79 50831 1 . GLY 80 80 50831 1 . ALA 81 81 50831 1 . GLN 82 82 50831 1 . LEU 83 83 50831 1 . GLN 84 84 50831 1 . LYS 85 85 50831 1 . ARG 86 86 50831 1 . GLY 87 87 50831 1 . PRO 88 88 50831 1 . GLY 89 89 50831 1 . GLN 90 90 50831 1 . GLU 91 91 50831 1 . ARG 92 92 50831 1 . LEU 93 93 50831 1 . TYR 94 94 50831 1 . PRO 95 95 50831 1 . PRO 96 96 50831 1 . GLY 97 97 50831 1 . ASP 98 98 50831 1 . VAL 99 99 50831 1 . ASP 100 100 50831 1 . GLU 101 101 50831 1 . ILE 102 102 50831 1 . PRO 103 103 50831 1 . GLU 104 104 50831 1 . TRP 105 105 50831 1 . VAL 106 106 50831 1 . HIS 107 107 50831 1 . GLN 108 108 50831 1 . LEU 109 109 50831 1 . VAL 110 110 50831 1 . ILE 111 111 50831 1 . GLN 112 112 50831 1 . LYS 113 113 50831 1 . LEU 114 114 50831 1 . VAL 115 115 50831 1 . GLU 116 116 50831 1 . HIS 117 117 50831 1 . ARG 118 118 50831 1 . VAL 119 119 50831 1 . ILE 120 120 50831 1 . PRO 121 121 50831 1 . GLU 122 122 50831 1 . GLY 123 123 50831 1 . PHE 124 124 50831 1 . VAL 125 125 50831 1 . ASN 126 126 50831 1 . SER 127 127 50831 1 . ALA 128 128 50831 1 . VAL 129 129 50831 1 . ILE 130 130 50831 1 . ASN 131 131 50831 1 . ASP 132 132 50831 1 . TYR 133 133 50831 1 . GLN 134 134 50831 1 . PRO 135 135 50831 1 . GLY 136 136 50831 1 . GLY 137 137 50831 1 . CYS 138 138 50831 1 . ILE 139 139 50831 1 . VAL 140 140 50831 1 . SER 141 141 50831 1 . HIS 142 142 50831 1 . VAL 143 143 50831 1 . ASP 144 144 50831 1 . PRO 145 145 50831 1 . ILE 146 146 50831 1 . HIS 147 147 50831 1 . ILE 148 148 50831 1 . PHE 149 149 50831 1 . GLU 150 150 50831 1 . ARG 151 151 50831 1 . PRO 152 152 50831 1 . ILE 153 153 50831 1 . VAL 154 154 50831 1 . SER 155 155 50831 1 . VAL 156 156 50831 1 . SER 157 157 50831 1 . PHE 158 158 50831 1 . PHE 159 159 50831 1 . SER 160 160 50831 1 . ASP 161 161 50831 1 . SER 162 162 50831 1 . ALA 163 163 50831 1 . LEU 164 164 50831 1 . CYS 165 165 50831 1 . PHE 166 166 50831 1 . GLY 167 167 50831 1 . CYS 168 168 50831 1 . LYS 169 169 50831 1 . PHE 170 170 50831 1 . GLN 171 171 50831 1 . PHE 172 172 50831 1 . LYS 173 173 50831 1 . PRO 174 174 50831 1 . ILE 175 175 50831 1 . ARG 176 176 50831 1 . VAL 177 177 50831 1 . SER 178 178 50831 1 . GLU 179 179 50831 1 . PRO 180 180 50831 1 . VAL 181 181 50831 1 . LEU 182 182 50831 1 . SER 183 183 50831 1 . LEU 184 184 50831 1 . PRO 185 185 50831 1 . VAL 186 186 50831 1 . ARG 187 187 50831 1 . ARG 188 188 50831 1 . GLY 189 189 50831 1 . SER 190 190 50831 1 . VAL 191 191 50831 1 . THR 192 192 50831 1 . VAL 193 193 50831 1 . LEU 194 194 50831 1 . SER 195 195 50831 1 . GLY 196 196 50831 1 . TYR 197 197 50831 1 . ALA 198 198 50831 1 . ALA 199 199 50831 1 . ASP 200 200 50831 1 . GLU 201 201 50831 1 . ILE 202 202 50831 1 . THR 203 203 50831 1 . HIS 204 204 50831 1 . CYS 205 205 50831 1 . ILE 206 206 50831 1 . ARG 207 207 50831 1 . PRO 208 208 50831 1 . GLN 209 209 50831 1 . ASP 210 210 50831 1 . ILE 211 211 50831 1 . LYS 212 212 50831 1 . GLU 213 213 50831 1 . ARG 214 214 50831 1 . ARG 215 215 50831 1 . ALA 216 216 50831 1 . VAL 217 217 50831 1 . ILE 218 218 50831 1 . ILE 219 219 50831 1 . LEU 220 220 50831 1 . ARG 221 221 50831 1 . LYS 222 222 50831 1 . THR 223 223 50831 1 . ARG 224 224 50831 1 . LEU 225 225 50831 1 . ASP 226 226 50831 1 . ALA 227 227 50831 1 . PRO 228 228 50831 1 . ARG 229 229 50831 1 . LEU 230 230 50831 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50831 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 50831 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 50831 2 ZN 'Three letter code' 50831 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 50831 2 stop_ save_ save_entity_AKG _Entity.Sf_category entity _Entity.Sf_framecode entity_AKG _Entity.Entry_ID 50831 _Entity.ID 3 _Entity.BMRB_code AKG _Entity.Name entity_AKG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID AKG _Entity.Nonpolymer_comp_label $chem_comp_AKG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 146.098 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '2-OXOGLUTARIC ACID' BMRB 50831 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '2-OXOGLUTARIC ACID' BMRB 50831 3 AKG 'Three letter code' 50831 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 AKG $chem_comp_AKG 50831 3 stop_ save_ save_entity_4 _Entity.Sf_category entity _Entity.Sf_framecode entity_4 _Entity.Entry_ID 50831 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name entity_4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGXCT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DG . 50831 4 2 . DG . 50831 4 3 . 6MZ . 50831 4 4 . DC . 50831 4 5 . DT . 50831 4 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 . DG 1 1 50831 4 . DG 2 2 50831 4 . 6MZ 3 3 50831 4 . DC 4 4 50831 4 . DT 5 5 50831 4 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 50831 _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 . . . . . . . . . . . . . 50831 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 50831 _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.' 50831 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 50831 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 50831 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50831 ZN [Zn++] SMILES CACTVS 3.341 50831 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50831 ZN [Zn+2] SMILES ACDLabs 10.04 50831 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50831 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50831 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 50831 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50831 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50831 ZN stop_ save_ save_chem_comp_AKG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AKG _Chem_comp.Entry_ID 50831 _Chem_comp.ID AKG _Chem_comp.Provenance PDB _Chem_comp.Name '2-OXOGLUTARIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code AKG _Chem_comp.PDB_code AKG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces 2OG _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AKG _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 10 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H6 O5' _Chem_comp.Formula_weight 146.098 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DS1 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CC(=O)O)C(=O)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 50831 AKG C(CC(=O)O)C(=O)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 50831 AKG InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) InChI InChI 1.03 50831 AKG KPGXRSRHYNQIFN-UHFFFAOYSA-N InChIKey InChI 1.03 50831 AKG O=C(O)C(=O)CCC(=O)O SMILES ACDLabs 10.04 50831 AKG OC(=O)CCC(=O)C(O)=O SMILES CACTVS 3.385 50831 AKG OC(=O)CCC(=O)C(O)=O SMILES_CANONICAL CACTVS 3.385 50831 AKG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-oxidanylidenepentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 50831 AKG '2-oxopentanedioic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 50831 AKG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 N N . . . . -3.530 . 5.433 . 5.918 . 2.420 -0.309 0.002 1 . 50831 AKG O1 O1 O1 O1 . O . . N 0 . . . 1 N N . . . . -2.616 . 4.675 . 5.904 . 2.428 -1.522 0.001 2 . 50831 AKG O2 O2 O2 O2 . O . . N 0 . . . 1 N N . . . . -3.962 . 6.179 . 6.915 . 3.581 0.372 -0.003 3 . 50831 AKG C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . -4.250 . 5.665 . 4.644 . 1.124 0.428 0.001 4 . 50831 AKG O5 O5 O5 O5 . O . . N 0 . . . 1 N Y . . . . -3.697 . 5.187 . 3.615 . 1.116 1.636 0.002 5 . 50831 AKG C3 C3 C3 C3 . C . . N 0 . . . 1 N N . . . . -5.510 . 6.463 . 4.591 . -0.176 -0.334 0.001 6 . 50831 AKG C4 C4 C4 C4 . C . . N 0 . . . 1 N N . . . . -6.742 . 5.561 . 4.375 . -1.346 0.652 0.000 7 . 50831 AKG C5 C5 C5 C5 . C . . N 0 . . . 1 N N . . . . -8.026 . 6.368 . 4.484 . -2.646 -0.109 -0.000 8 . 50831 AKG O3 O3 O3 O3 . O . . N 0 . . . 1 N N . . . . -8.076 . 7.569 . 4.660 . -2.638 -1.318 -0.001 9 . 50831 AKG O4 O4 O4 O4 . O . . N 0 . . . 1 N N . . . . -9.109 . 5.636 . 4.358 . -3.813 0.554 -0.001 10 . 50831 AKG HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 N N . . . . -3.419 . 6.031 . 7.680 . 4.395 -0.150 -0.007 11 . 50831 AKG H31 H31 H31 H31 . H . . N 0 . . . 1 N N . . . . -5.628 . 7.008 . 5.539 . -0.229 -0.961 -0.890 12 . 50831 AKG H32 H32 H32 H32 . H . . N 0 . . . 1 N N . . . . -5.443 . 7.182 . 3.761 . -0.230 -0.961 0.890 13 . 50831 AKG H41 H41 H41 H41 . H . . N 0 . . . 1 N N . . . . -6.685 . 5.106 . 3.375 . -1.292 1.279 0.891 14 . 50831 AKG H42 H42 H42 H42 . H . . N 0 . . . 1 N N . . . . -6.748 . 4.769 . 5.138 . -1.292 1.280 -0.890 15 . 50831 AKG HO4 HO4 HO4 HO4 . H . . N 0 . . . 1 N N . . . . -9.877 . 6.191 . 4.427 . -4.620 0.022 -0.001 16 . 50831 AKG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 N N 1 . 50831 AKG 2 . SING C1 O2 N N 2 . 50831 AKG 3 . SING C1 C2 N N 3 . 50831 AKG 4 . SING O2 HO2 N N 4 . 50831 AKG 5 . DOUB C2 O5 N N 5 . 50831 AKG 6 . SING C2 C3 N N 6 . 50831 AKG 7 . SING C3 C4 N N 7 . 50831 AKG 8 . SING C3 H31 N N 8 . 50831 AKG 9 . SING C3 H32 N N 9 . 50831 AKG 10 . SING C4 C5 N N 10 . 50831 AKG 11 . SING C4 H41 N N 11 . 50831 AKG 12 . SING C4 H42 N N 12 . 50831 AKG 13 . DOUB C5 O3 N N 13 . 50831 AKG 14 . SING C5 O4 N N 14 . 50831 AKG 15 . SING O4 HO4 N N 15 . 50831 AKG stop_ save_ save_chem_comp_6MZ _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_6MZ _Chem_comp.Entry_ID 50831 _Chem_comp.ID 6MZ _Chem_comp.Provenance PDB _Chem_comp.Name N6-METHYLADENOSINE-5'-MONOPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code 6MZ _Chem_comp.PDB_code 6MZ _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code A _Chem_comp.Three_letter_code 6MZ _Chem_comp.Number_atoms_all 40 _Chem_comp.Number_atoms_nh 24 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C11 H16 N5 O7 P' _Chem_comp.Formula_weight 361.248 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O SMILES 'OpenEye OEToolkits' 1.7.6 50831 6MZ CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 50831 6MZ CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.385 50831 6MZ CNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.385 50831 6MZ ; InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 ; InChI InChI 1.03 50831 6MZ WETVNPRPZIYMAC-IOSLPCCCSA-N InChIKey InChI 1.03 50831 6MZ c1nc2c(c(n1)NC)ncn2C3OC(COP(O)(=O)O)C(C3O)O SMILES ACDLabs 12.01 50831 6MZ stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID "N-methyladenosine 5'-(dihydrogen phosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 50831 6MZ '[(2R,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 50831 6MZ stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 202.191 . 94.809 . -2.784 . 4.850 -1.059 -0.961 1 . 50831 6MZ C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 200.999 . 93.902 . -1.149 . 2.811 -0.211 -0.324 2 . 50831 6MZ C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 201.650 . 94.643 . -0.171 . 3.452 0.951 0.140 3 . 50831 6MZ O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 199.114 . 89.190 . 4.356 . -6.250 0.244 0.138 4 . 50831 6MZ O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 200.745 . 91.209 . 4.442 . -4.706 1.944 1.186 5 . 50831 6MZ N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 200.080 . 93.130 . -0.485 . 1.473 -0.028 -0.080 6 . 50831 6MZ N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 201.219 . 93.937 . -2.480 . 3.543 -1.181 -0.862 7 . 50831 6MZ N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 202.913 . 95.597 . -1.965 . 5.496 0.013 -0.540 8 . 50831 6MZ C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 202.675 . 95.549 . -0.627 . 4.848 1.034 0.012 9 . 50831 6MZ N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 203.426 . 96.361 . 0.159 . 5.534 2.154 0.449 10 . 50831 6MZ C9 C9 C9 C9 . C . . N 0 . . . 1 N N . . . . 203.322 . 96.445 . 1.513 . 6.990 2.223 0.308 11 . 50831 6MZ N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 201.147 . 94.331 . 1.087 . 2.490 1.767 0.633 12 . 50831 6MZ C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 200.223 . 93.433 . 0.845 . 1.328 1.195 0.505 13 . 50831 6MZ O5' O5' O5' O5' . O . . N 0 . . . 1 N N . . . . 199.377 . 90.741 . 2.391 . -3.698 0.344 -0.486 14 . 50831 6MZ C5' C5' C5' C5' . C . . N 0 . . . 1 N N . . . . 198.283 . 90.142 . 1.666 . -3.093 -0.612 0.388 15 . 50831 6MZ C4' C4' C4' C4' . C . . R 0 . . . 1 N N . . . . 198.433 . 90.365 . 0.182 . -1.898 -1.260 -0.313 16 . 50831 6MZ O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . 198.234 . 91.770 . -0.112 . -0.864 -0.284 -0.519 17 . 50831 6MZ C1' C1' C1' C1' . C . . R 0 . . . 1 N N . . . . 199.152 . 92.188 . -1.101 . 0.398 -0.973 -0.391 18 . 50831 6MZ C2' C2' C2' C2' . C . . R 0 . . . 1 N N . . . . 199.837 . 90.933 . -1.635 . 0.162 -1.942 0.796 19 . 50831 6MZ O2' O2' O2' O2' . O . . N 0 . . . 1 N N . . . . 199.113 . 90.419 . -2.736 . 1.040 -3.066 0.719 20 . 50831 6MZ C3' C3' C3' C3' . C . . S 0 . . . 1 N N . . . . 199.796 . 90.041 . -0.405 . -1.311 -2.375 0.574 21 . 50831 6MZ O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . 199.941 . 88.649 . -0.671 . -1.369 -3.633 -0.100 22 . 50831 6MZ P P P P . P . . N 0 . . . 1 N N . . . . 199.470 . 90.599 . 3.984 . -4.985 1.218 -0.073 23 . 50831 6MZ O3P O3P O3P O3P . O . . N 0 . . . 1 N Y . . . . 198.265 . 91.505 . 4.523 . -5.313 2.276 -1.242 24 . 50831 6MZ H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 202.428 . 94.891 . -3.834 . 5.416 -1.868 -1.399 25 . 50831 6MZ H1P H1P H1P H1P . H . . N 0 . . . 1 N N . . . . 199.807 . 88.818 . 4.889 . -6.490 -0.265 -0.648 26 . 50831 6MZ H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 199.629 . 92.974 . 1.622 . 0.388 1.625 0.817 27 . 50831 6MZ H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . 198.622 . 92.680 . -1.930 . 0.627 -1.527 -1.302 28 . 50831 6MZ H9C1 H9C1 H9C1 H9C1 . H . . N 0 . . . 0 N N . . . . 204.048 . 97.179 . 1.892 . 7.449 1.401 0.859 29 . 50831 6MZ H9C2 H9C2 H9C2 H9C2 . H . . N 0 . . . 0 N N . . . . 202.304 . 96.763 . 1.783 . 7.257 2.146 -0.747 30 . 50831 6MZ H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 N N . . . . 198.267 . 89.061 . 1.868 . -2.754 -0.111 1.295 31 . 50831 6MZ H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 N N . . . . 197.338 . 90.592 . 2.004 . -3.822 -1.379 0.648 32 . 50831 6MZ H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . 197.673 . 89.768 . -0.344 . -2.212 -1.675 -1.271 33 . 50831 6MZ H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . 200.573 . 90.374 . 0.299 . -1.842 -2.425 1.525 34 . 50831 6MZ H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . 200.880 . 91.159 . -1.904 . 0.278 -1.425 1.748 35 . 50831 6MZ HA HA HA HA . H . . N 0 . . . 1 N N . . . . 199.545 . 89.639 . -3.063 . 0.931 -3.701 1.440 36 . 50831 6MZ HB HB HB HB . H . . N 0 . . . 1 N Y . . . . 200.802 . 88.484 . -1.036 . -1.012 -4.371 0.414 37 . 50831 6MZ H3P H3P H3P H3P . H . . N 0 . . . 1 N Y . . . . 198.615 . 92.236 . 5.018 . -6.079 2.838 -1.060 38 . 50831 6MZ H6 H6 H6 H6 . H . . N 0 . . . 1 N N . . . . 204.375 . 96.104 . -0.021 . 5.050 2.893 0.850 39 . 50831 6MZ H9 H9 H9 H9 . H . . N 0 . . . 1 N N . . . . 203.529 . 95.461 . 1.958 . 7.350 3.172 0.705 40 . 50831 6MZ stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C4 C5 Y N 1 . 50831 6MZ 2 . SING C4 N9 Y N 2 . 50831 6MZ 3 . SING C2 N3 Y N 3 . 50831 6MZ 4 . DOUB C4 N3 Y N 4 . 50831 6MZ 5 . DOUB C2 N1 Y N 5 . 50831 6MZ 6 . DOUB C5 C6 Y N 6 . 50831 6MZ 7 . SING N1 C6 Y N 7 . 50831 6MZ 8 . SING C6 N6 N N 8 . 50831 6MZ 9 . SING N6 C9 N N 9 . 50831 6MZ 10 . SING C5 N7 Y N 10 . 50831 6MZ 11 . SING N9 C8 Y N 11 . 50831 6MZ 12 . DOUB N7 C8 Y N 12 . 50831 6MZ 13 . SING O5' C5' N N 13 . 50831 6MZ 14 . SING C1' H1' N N 14 . 50831 6MZ 15 . SING C9 H9C1 N N 15 . 50831 6MZ 16 . SING C9 H9C2 N N 16 . 50831 6MZ 17 . SING C5' H5'1 N N 17 . 50831 6MZ 18 . SING C5' H5'2 N N 18 . 50831 6MZ 19 . SING C4' H4' N N 19 . 50831 6MZ 20 . SING C3' H3' N N 20 . 50831 6MZ 21 . SING C2' H2' N N 21 . 50831 6MZ 22 . SING O2' HA N N 22 . 50831 6MZ 23 . SING O3' HB N N 23 . 50831 6MZ 24 . SING O3P H3P N N 24 . 50831 6MZ 25 . SING C5' C4' N N 25 . 50831 6MZ 26 . SING C4' O4' N N 26 . 50831 6MZ 27 . SING N9 C1' N N 27 . 50831 6MZ 28 . SING O4' C1' N N 28 . 50831 6MZ 29 . SING C1' C2' N N 29 . 50831 6MZ 30 . SING C2' O2' N N 30 . 50831 6MZ 31 . SING C4' C3' N N 31 . 50831 6MZ 32 . SING C2' C3' N N 32 . 50831 6MZ 33 . SING C3' O3' N N 33 . 50831 6MZ 34 . SING O1P P N N 34 . 50831 6MZ 35 . DOUB O2P P N N 35 . 50831 6MZ 36 . SING O5' P N N 36 . 50831 6MZ 37 . SING P O3P N N 37 . 50831 6MZ 38 . SING C2 H2 N N 38 . 50831 6MZ 39 . SING O1P H1P N N 39 . 50831 6MZ 40 . SING C8 H8 N N 40 . 50831 6MZ 41 . SING N6 H6 N N 41 . 50831 6MZ 42 . SING C9 H9 N N 42 . 50831 6MZ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50831 _Sample.ID 1 _Sample.Name "5'-GG(m6A)CT-3' bound 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 . . . . 50831 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 50831 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50831 1 4 ZnCl2 'natural abundance' . . . . . . 0.1 . . mM . . . . 50831 1 5 a-KG 'natural abundance' . . . . . . 1 . . mM . . . . 50831 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 50831 _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 50831 1 pH 6.0 . pH 50831 1 pressure 1 . atm 50831 1 temperature 273 . K 50831 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50831 _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' . 50831 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 50831 _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 50831 _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 . . . . . . . . . . . . . . . . . 50831 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50831 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50831 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50831 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50831 1 6 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50831 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50831 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 50831 _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 . . . . . 50831 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 50831 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . 50831 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 50831 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name m6A_Alkbh5_StateA _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' . . . 50831 1 2 '3D HNCO' . . . 50831 1 3 '3D HNCA' . . . 50831 1 5 '3D HN(CO)CA' . . . 50831 1 6 '3D HN(COCA)CB' . . . 50831 1 7 '3D HNCACB' . . . 50831 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 . . 50831 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 13 176.719 0.00 . . . . . . . 66 PRO CO . 50831 1 2 . 1 . 1 4 4 PRO CA C 13 62.733 0.00 . . . . . . . 66 PRO CA . 50831 1 3 . 1 . 1 4 4 PRO CB C 13 31.107 0.02 . . . . . . . 66 PRO CB . 50831 1 4 . 1 . 1 5 5 GLU H H 1 8.430 0.00 . . . . . . . 67 GLU H . 50831 1 5 . 1 . 1 5 5 GLU C C 13 176.421 0.00 . . . . . . . 67 GLU CO . 50831 1 6 . 1 . 1 5 5 GLU CA C 13 55.888 0.01 . . . . . . . 67 GLU CA . 50831 1 7 . 1 . 1 5 5 GLU CB C 13 29.095 0.01 . . . . . . . 67 GLU CB . 50831 1 8 . 1 . 1 5 5 GLU N N 15 121.859 0.01 . . . . . . . 67 GLU N . 50831 1 9 . 1 . 1 6 6 ARG H H 1 8.261 0.00 . . . . . . . 68 ARG H . 50831 1 10 . 1 . 1 6 6 ARG C C 13 176.188 0.00 . . . . . . . 68 ARG CO . 50831 1 11 . 1 . 1 6 6 ARG CA C 13 55.425 0.16 . . . . . . . 68 ARG CA . 50831 1 12 . 1 . 1 6 6 ARG CB C 13 30.351 0.28 . . . . . . . 68 ARG CB . 50831 1 13 . 1 . 1 6 6 ARG N N 15 122.468 0.01 . . . . . . . 68 ARG N . 50831 1 14 . 1 . 1 7 7 SER H H 1 8.458 0.00 . . . . . . . 69 SER H . 50831 1 15 . 1 . 1 7 7 SER C C 13 174.566 0.00 . . . . . . . 69 SER CO . 50831 1 16 . 1 . 1 7 7 SER CA C 13 57.845 0.07 . . . . . . . 69 SER CA . 50831 1 17 . 1 . 1 7 7 SER CB C 13 63.408 0.09 . . . . . . . 69 SER CB . 50831 1 18 . 1 . 1 7 7 SER N N 15 118.243 0.03 . . . . . . . 69 SER N . 50831 1 19 . 1 . 1 8 8 ASP H H 1 8.387 0.00 . . . . . . . 70 ASP H . 50831 1 20 . 1 . 1 8 8 ASP C C 13 176.879 0.00 . . . . . . . 70 ASP CO . 50831 1 21 . 1 . 1 8 8 ASP CA C 13 54.893 0.01 . . . . . . . 70 ASP CA . 50831 1 22 . 1 . 1 8 8 ASP CB C 13 39.684 0.02 . . . . . . . 70 ASP CB . 50831 1 23 . 1 . 1 8 8 ASP N N 15 122.699 0.01 . . . . . . . 70 ASP N . 50831 1 24 . 1 . 1 9 9 TYR H H 1 8.049 0.00 . . . . . . . 71 TYR H . 50831 1 25 . 1 . 1 9 9 TYR C C 13 177.154 0.00 . . . . . . . 71 TYR CO . 50831 1 26 . 1 . 1 9 9 TYR CA C 13 59.844 0.01 . . . . . . . 71 TYR CA . 50831 1 27 . 1 . 1 9 9 TYR CB C 13 37.582 0.01 . . . . . . . 71 TYR CB . 50831 1 28 . 1 . 1 9 9 TYR N N 15 121.019 0.01 . . . . . . . 71 TYR N . 50831 1 29 . 1 . 1 10 10 GLU H H 1 8.087 0.01 . . . . . . . 72 GLU H . 50831 1 30 . 1 . 1 10 10 GLU C C 13 178.327 0.00 . . . . . . . 72 GLU CO . 50831 1 31 . 1 . 1 10 10 GLU CA C 13 57.898 0.01 . . . . . . . 72 GLU CA . 50831 1 32 . 1 . 1 10 10 GLU CB C 13 28.306 0.03 . . . . . . . 72 GLU CB . 50831 1 33 . 1 . 1 10 10 GLU N N 15 120.829 0.03 . . . . . . . 72 GLU N . 50831 1 34 . 1 . 1 11 11 GLU H H 1 8.176 0.00 . . . . . . . 73 GLU H . 50831 1 35 . 1 . 1 11 11 GLU C C 13 178.340 0.00 . . . . . . . 73 GLU CO . 50831 1 36 . 1 . 1 11 11 GLU CA C 13 58.065 0.02 . . . . . . . 73 GLU CA . 50831 1 37 . 1 . 1 11 11 GLU CB C 13 27.973 0.05 . . . . . . . 73 GLU CB . 50831 1 38 . 1 . 1 11 11 GLU N N 15 120.971 0.04 . . . . . . . 73 GLU N . 50831 1 39 . 1 . 1 12 12 GLN H H 1 8.115 0.00 . . . . . . . 74 GLN H . 50831 1 40 . 1 . 1 12 12 GLN C C 13 178.462 0.00 . . . . . . . 74 GLN CO . 50831 1 41 . 1 . 1 12 12 GLN CA C 13 57.809 0.04 . . . . . . . 74 GLN CA . 50831 1 42 . 1 . 1 12 12 GLN CB C 13 27.546 0.08 . . . . . . . 74 GLN CB . 50831 1 43 . 1 . 1 12 12 GLN N N 15 119.895 0.02 . . . . . . . 74 GLN N . 50831 1 44 . 1 . 1 13 13 GLN H H 1 7.965 0.01 . . . . . . . 75 GLN H . 50831 1 45 . 1 . 1 13 13 GLN C C 13 178.099 0.00 . . . . . . . 75 GLN CO . 50831 1 46 . 1 . 1 13 13 GLN CA C 13 57.778 0.21 . . . . . . . 75 GLN CA . 50831 1 47 . 1 . 1 13 13 GLN CB C 13 27.468 0.09 . . . . . . . 75 GLN CB . 50831 1 48 . 1 . 1 13 13 GLN N N 15 120.349 0.25 . . . . . . . 75 GLN N . 50831 1 49 . 1 . 1 14 14 LEU H H 1 7.874 0.01 . . . . . . . 76 LEU H . 50831 1 50 . 1 . 1 14 14 LEU C C 13 179.556 0.00 . . . . . . . 76 LEU CO . 50831 1 51 . 1 . 1 14 14 LEU CA C 13 57.161 0.04 . . . . . . . 76 LEU CA . 50831 1 52 . 1 . 1 14 14 LEU CB C 13 40.542 0.03 . . . . . . . 76 LEU CB . 50831 1 53 . 1 . 1 14 14 LEU N N 15 121.545 0.03 . . . . . . . 76 LEU N . 50831 1 54 . 1 . 1 15 15 GLN H H 1 7.953 0.00 . . . . . . . 77 GLN H . 50831 1 55 . 1 . 1 15 15 GLN C C 13 178.639 0.00 . . . . . . . 77 GLN CO . 50831 1 56 . 1 . 1 15 15 GLN CA C 13 57.976 0.00 . . . . . . . 77 GLN CA . 50831 1 57 . 1 . 1 15 15 GLN CB C 13 27.322 0.04 . . . . . . . 77 GLN CB . 50831 1 58 . 1 . 1 15 15 GLN N N 15 119.762 0.02 . . . . . . . 77 GLN N . 50831 1 59 . 1 . 1 16 16 LYS H H 1 7.852 0.00 . . . . . . . 78 LYS H . 50831 1 60 . 1 . 1 16 16 LYS C C 13 178.541 0.00 . . . . . . . 78 LYS CO . 50831 1 61 . 1 . 1 16 16 LYS CA C 13 59.151 0.01 . . . . . . . 78 LYS CA . 50831 1 62 . 1 . 1 16 16 LYS CB C 13 31.320 0.09 . . . . . . . 78 LYS CB . 50831 1 63 . 1 . 1 16 16 LYS N N 15 121.645 0.02 . . . . . . . 78 LYS N . 50831 1 64 . 1 . 1 17 17 GLU H H 1 7.984 0.00 . . . . . . . 79 GLU H . 50831 1 65 . 1 . 1 17 17 GLU C C 13 179.215 0.00 . . . . . . . 79 GLU CO . 50831 1 66 . 1 . 1 17 17 GLU CA C 13 58.416 0.01 . . . . . . . 79 GLU CA . 50831 1 67 . 1 . 1 17 17 GLU CB C 13 27.792 0.07 . . . . . . . 79 GLU CB . 50831 1 68 . 1 . 1 17 17 GLU N N 15 119.571 0.02 . . . . . . . 79 GLU N . 50831 1 69 . 1 . 1 18 18 GLU H H 1 7.946 0.00 . . . . . . . 80 GLU H . 50831 1 70 . 1 . 1 18 18 GLU C C 13 178.634 0.00 . . . . . . . 80 GLU CO . 50831 1 71 . 1 . 1 18 18 GLU CA C 13 58.786 0.49 . . . . . . . 80 GLU CA . 50831 1 72 . 1 . 1 18 18 GLU CB C 13 27.890 0.00 . . . . . . . 80 GLU CB . 50831 1 73 . 1 . 1 18 18 GLU N N 15 120.574 0.01 . . . . . . . 80 GLU N . 50831 1 74 . 1 . 1 19 19 GLU H H 1 8.063 0.00 . . . . . . . 81 GLU H . 50831 1 75 . 1 . 1 19 19 GLU CA C 13 57.499 0.00 . . . . . . . 81 GLU CA . 50831 1 76 . 1 . 1 19 19 GLU CB C 13 28.280 0.00 . . . . . . . 81 GLU CB . 50831 1 77 . 1 . 1 19 19 GLU N N 15 121.192 0.01 . . . . . . . 81 GLU N . 50831 1 78 . 1 . 1 20 20 ALA C C 13 179.008 0.00 . . . . . . . 82 ALA CO . 50831 1 79 . 1 . 1 20 20 ALA CA C 13 53.252 0.05 . . . . . . . 82 ALA CA . 50831 1 80 . 1 . 1 20 20 ALA CB C 13 17.546 0.01 . . . . . . . 82 ALA CB . 50831 1 81 . 1 . 1 21 21 ARG H H 1 7.723 0.00 . . . . . . . 83 ARG H . 50831 1 82 . 1 . 1 21 21 ARG C C 13 179.527 0.00 . . . . . . . 83 ARG CO . 50831 1 83 . 1 . 1 21 21 ARG CA C 13 58.090 1.25 . . . . . . . 83 ARG CA . 50831 1 84 . 1 . 1 21 21 ARG CB C 13 29.210 0.21 . . . . . . . 83 ARG CB . 50831 1 85 . 1 . 1 21 21 ARG N N 15 118.485 0.03 . . . . . . . 83 ARG N . 50831 1 86 . 1 . 1 22 22 LYS H H 1 7.367 0.00 . . . . . . . 84 LYS H . 50831 1 87 . 1 . 1 22 22 LYS CA C 13 59.107 0.00 . . . . . . . 84 LYS CA . 50831 1 88 . 1 . 1 22 22 LYS CB C 13 29.668 0.00 . . . . . . . 84 LYS CB . 50831 1 89 . 1 . 1 22 22 LYS N N 15 120.709 0.02 . . . . . . . 84 LYS N . 50831 1 90 . 1 . 1 23 23 VAL C C 13 177.767 0.00 . . . . . . . 85 VAL CO . 50831 1 91 . 1 . 1 23 23 VAL CA C 13 66.592 0.00 . . . . . . . 85 VAL CA . 50831 1 92 . 1 . 1 23 23 VAL CB C 13 30.007 0.00 . . . . . . . 85 VAL CB . 50831 1 93 . 1 . 1 24 24 LYS H H 1 7.957 0.01 . . . . . . . 86 LYS H . 50831 1 94 . 1 . 1 24 24 LYS CA C 13 59.414 0.00 . . . . . . . 86 LYS CA . 50831 1 95 . 1 . 1 24 24 LYS CB C 13 31.128 0.00 . . . . . . . 86 LYS CB . 50831 1 96 . 1 . 1 24 24 LYS N N 15 117.392 0.04 . . . . . . . 86 LYS N . 50831 1 97 . 1 . 1 25 25 SER C C 13 174.824 0.00 . . . . . . . 87 SER CO . 50831 1 98 . 1 . 1 25 25 SER CA C 13 60.637 0.01 . . . . . . . 87 SER CA . 50831 1 99 . 1 . 1 25 25 SER CB C 13 62.721 0.00 . . . . . . . 87 SER CB . 50831 1 100 . 1 . 1 26 26 GLY H H 1 7.765 0.00 . . . . . . . 88 GLY H . 50831 1 101 . 1 . 1 26 26 GLY C C 13 172.049 0.00 . . . . . . . 88 GLY CO . 50831 1 102 . 1 . 1 26 26 GLY CA C 13 44.606 0.04 . . . . . . . 88 GLY CA . 50831 1 103 . 1 . 1 26 26 GLY N N 15 110.597 0.01 . . . . . . . 88 GLY N . 50831 1 104 . 1 . 1 27 27 ILE H H 1 7.097 0.00 . . . . . . . 89 ILE H . 50831 1 105 . 1 . 1 27 27 ILE C C 13 176.124 0.00 . . . . . . . 89 ILE CO . 50831 1 106 . 1 . 1 27 27 ILE CA C 13 59.372 0.09 . . . . . . . 89 ILE CA . 50831 1 107 . 1 . 1 27 27 ILE CB C 13 39.883 0.06 . . . . . . . 89 ILE CB . 50831 1 108 . 1 . 1 27 27 ILE N N 15 119.404 0.02 . . . . . . . 89 ILE N . 50831 1 109 . 1 . 1 28 28 ARG H H 1 8.227 0.00 . . . . . . . 90 ARG H . 50831 1 110 . 1 . 1 28 28 ARG C C 13 174.759 0.00 . . . . . . . 90 ARG CO . 50831 1 111 . 1 . 1 28 28 ARG CA C 13 54.319 0.02 . . . . . . . 90 ARG CA . 50831 1 112 . 1 . 1 28 28 ARG CB C 13 32.659 0.01 . . . . . . . 90 ARG CB . 50831 1 113 . 1 . 1 28 28 ARG N N 15 126.440 0.02 . . . . . . . 90 ARG N . 50831 1 114 . 1 . 1 29 29 GLN H H 1 8.665 0.01 . . . . . . . 91 GLN H . 50831 1 115 . 1 . 1 29 29 GLN C C 13 175.207 0.00 . . . . . . . 91 GLN CO . 50831 1 116 . 1 . 1 29 29 GLN CA C 13 54.093 0.03 . . . . . . . 91 GLN CA . 50831 1 117 . 1 . 1 29 29 GLN CB C 13 33.661 0.13 . . . . . . . 91 GLN CB . 50831 1 118 . 1 . 1 29 29 GLN N N 15 122.733 0.10 . . . . . . . 91 GLN N . 50831 1 119 . 1 . 1 30 30 MET H H 1 8.529 0.00 . . . . . . . 92 MET H . 50831 1 120 . 1 . 1 30 30 MET C C 13 174.767 0.00 . . . . . . . 92 MET CO . 50831 1 121 . 1 . 1 30 30 MET CA C 13 54.464 0.01 . . . . . . . 92 MET CA . 50831 1 122 . 1 . 1 30 30 MET CB C 13 35.480 0.06 . . . . . . . 92 MET CB . 50831 1 123 . 1 . 1 30 30 MET N N 15 119.907 0.03 . . . . . . . 92 MET N . 50831 1 124 . 1 . 1 31 31 ARG H H 1 9.039 0.01 . . . . . . . 93 ARG H . 50831 1 125 . 1 . 1 31 31 ARG C C 13 175.066 0.00 . . . . . . . 93 ARG CO . 50831 1 126 . 1 . 1 31 31 ARG CA C 13 55.603 0.00 . . . . . . . 93 ARG CA . 50831 1 127 . 1 . 1 31 31 ARG CB C 13 27.528 0.01 . . . . . . . 93 ARG CB . 50831 1 128 . 1 . 1 31 31 ARG N N 15 127.673 0.05 . . . . . . . 93 ARG N . 50831 1 129 . 1 . 1 32 32 LEU H H 1 6.820 0.01 . . . . . . . 94 LEU H . 50831 1 130 . 1 . 1 32 32 LEU C C 13 174.556 0.00 . . . . . . . 94 LEU CO . 50831 1 131 . 1 . 1 32 32 LEU CA C 13 54.562 0.06 . . . . . . . 94 LEU CA . 50831 1 132 . 1 . 1 32 32 LEU CB C 13 44.192 0.01 . . . . . . . 94 LEU CB . 50831 1 133 . 1 . 1 32 32 LEU N N 15 122.765 0.02 . . . . . . . 94 LEU N . 50831 1 134 . 1 . 1 33 33 PHE H H 1 7.676 0.00 . . . . . . . 95 PHE H . 50831 1 135 . 1 . 1 33 33 PHE C C 13 175.734 0.00 . . . . . . . 95 PHE CO . 50831 1 136 . 1 . 1 33 33 PHE CA C 13 56.517 0.00 . . . . . . . 95 PHE CA . 50831 1 137 . 1 . 1 33 33 PHE CB C 13 40.629 0.02 . . . . . . . 95 PHE CB . 50831 1 138 . 1 . 1 33 33 PHE N N 15 116.713 0.01 . . . . . . . 95 PHE N . 50831 1 139 . 1 . 1 34 34 SER H H 1 9.623 0.00 . . . . . . . 96 SER H . 50831 1 140 . 1 . 1 34 34 SER C C 13 175.469 0.00 . . . . . . . 96 SER CO . 50831 1 141 . 1 . 1 34 34 SER CA C 13 56.787 0.03 . . . . . . . 96 SER CA . 50831 1 142 . 1 . 1 34 34 SER CB C 13 64.866 0.02 . . . . . . . 96 SER CB . 50831 1 143 . 1 . 1 34 34 SER N N 15 122.636 0.00 . . . . . . . 96 SER N . 50831 1 144 . 1 . 1 35 35 GLN H H 1 9.163 0.00 . . . . . . . 97 GLN H . 50831 1 145 . 1 . 1 35 35 GLN C C 13 178.106 0.00 . . . . . . . 97 GLN CO . 50831 1 146 . 1 . 1 35 35 GLN CA C 13 60.449 0.01 . . . . . . . 97 GLN CA . 50831 1 147 . 1 . 1 35 35 GLN CB C 13 27.051 0.03 . . . . . . . 97 GLN CB . 50831 1 148 . 1 . 1 35 35 GLN N N 15 122.635 0.00 . . . . . . . 97 GLN N . 50831 1 149 . 1 . 1 36 36 ASP H H 1 8.372 0.00 . . . . . . . 98 ASP H . 50831 1 150 . 1 . 1 36 36 ASP C C 13 179.155 0.00 . . . . . . . 98 ASP CO . 50831 1 151 . 1 . 1 36 36 ASP CA C 13 56.801 0.01 . . . . . . . 98 ASP CA . 50831 1 152 . 1 . 1 36 36 ASP CB C 13 40.103 0.08 . . . . . . . 98 ASP CB . 50831 1 153 . 1 . 1 36 36 ASP N N 15 118.715 0.01 . . . . . . . 98 ASP N . 50831 1 154 . 1 . 1 37 37 GLU H H 1 7.689 0.00 . . . . . . . 99 GLU H . 50831 1 155 . 1 . 1 37 37 GLU C C 13 180.762 0.00 . . . . . . . 99 GLU CO . 50831 1 156 . 1 . 1 37 37 GLU CA C 13 58.831 0.02 . . . . . . . 99 GLU CA . 50831 1 157 . 1 . 1 37 37 GLU CB C 13 29.445 0.03 . . . . . . . 99 GLU CB . 50831 1 158 . 1 . 1 37 37 GLU N N 15 120.593 0.02 . . . . . . . 99 GLU N . 50831 1 159 . 1 . 1 38 38 CYS H H 1 8.859 0.00 . . . . . . . 100 CYS H . 50831 1 160 . 1 . 1 38 38 CYS C C 13 175.636 0.00 . . . . . . . 100 CYS CO . 50831 1 161 . 1 . 1 38 38 CYS CA C 13 64.126 0.02 . . . . . . . 100 CYS CA . 50831 1 162 . 1 . 1 38 38 CYS CB C 13 25.495 0.06 . . . . . . . 100 CYS CB . 50831 1 163 . 1 . 1 38 38 CYS N N 15 117.949 0.02 . . . . . . . 100 CYS N . 50831 1 164 . 1 . 1 39 39 ALA H H 1 7.944 0.00 . . . . . . . 101 ALA H . 50831 1 165 . 1 . 1 39 39 ALA C C 13 180.696 0.00 . . . . . . . 101 ALA CO . 50831 1 166 . 1 . 1 39 39 ALA CA C 13 54.642 0.03 . . . . . . . 101 ALA CA . 50831 1 167 . 1 . 1 39 39 ALA CB C 13 16.761 0.02 . . . . . . . 101 ALA CB . 50831 1 168 . 1 . 1 39 39 ALA N N 15 121.660 0.01 . . . . . . . 101 ALA N . 50831 1 169 . 1 . 1 40 40 LYS H H 1 7.246 0.00 . . . . . . . 102 LYS H . 50831 1 170 . 1 . 1 40 40 LYS C C 13 178.894 0.00 . . . . . . . 102 LYS CO . 50831 1 171 . 1 . 1 40 40 LYS CA C 13 58.731 0.05 . . . . . . . 102 LYS CA . 50831 1 172 . 1 . 1 40 40 LYS CB C 13 31.189 0.04 . . . . . . . 102 LYS CB . 50831 1 173 . 1 . 1 40 40 LYS N N 15 118.847 0.01 . . . . . . . 102 LYS N . 50831 1 174 . 1 . 1 41 41 ILE H H 1 7.391 0.00 . . . . . . . 103 ILE H . 50831 1 175 . 1 . 1 41 41 ILE CA C 13 64.691 0.00 . . . . . . . 103 ILE CA . 50831 1 176 . 1 . 1 41 41 ILE CB C 13 36.931 0.00 . . . . . . . 103 ILE CB . 50831 1 177 . 1 . 1 41 41 ILE N N 15 121.625 0.02 . . . . . . . 103 ILE N . 50831 1 178 . 1 . 1 42 42 GLU C C 13 177.687 0.00 . . . . . . . 104 GLU CO . 50831 1 179 . 1 . 1 42 42 GLU CA C 13 58.551 0.03 . . . . . . . 104 GLU CA . 50831 1 180 . 1 . 1 42 42 GLU CB C 13 27.329 0.01 . . . . . . . 104 GLU CB . 50831 1 181 . 1 . 1 43 43 ALA H H 1 7.110 0.00 . . . . . . . 105 ALA H . 50831 1 182 . 1 . 1 43 43 ALA C C 13 181.082 0.00 . . . . . . . 105 ALA CO . 50831 1 183 . 1 . 1 43 43 ALA CA C 13 54.419 0.01 . . . . . . . 105 ALA CA . 50831 1 184 . 1 . 1 43 43 ALA CB C 13 16.673 0.03 . . . . . . . 105 ALA CB . 50831 1 185 . 1 . 1 43 43 ALA N N 15 119.759 0.02 . . . . . . . 105 ALA N . 50831 1 186 . 1 . 1 44 44 ARG H H 1 6.746 0.01 . . . . . . . 106 ARG H . 50831 1 187 . 1 . 1 44 44 ARG CA C 13 56.276 0.00 . . . . . . . 106 ARG CA . 50831 1 188 . 1 . 1 44 44 ARG CB C 13 25.021 0.00 . . . . . . . 106 ARG CB . 50831 1 189 . 1 . 1 44 44 ARG N N 15 118.249 0.02 . . . . . . . 106 ARG N . 50831 1 190 . 1 . 1 45 45 ILE C C 13 177.689 0.00 . . . . . . . 107 ILE CO . 50831 1 191 . 1 . 1 45 45 ILE CA C 13 66.246 0.03 . . . . . . . 107 ILE CA . 50831 1 192 . 1 . 1 45 45 ILE CB C 13 36.187 0.02 . . . . . . . 107 ILE CB . 50831 1 193 . 1 . 1 46 46 ASP H H 1 8.030 0.00 . . . . . . . 108 ASP H . 50831 1 194 . 1 . 1 46 46 ASP C C 13 179.079 0.00 . . . . . . . 108 ASP CO . 50831 1 195 . 1 . 1 46 46 ASP CA C 13 57.314 0.08 . . . . . . . 108 ASP CA . 50831 1 196 . 1 . 1 46 46 ASP CB C 13 38.597 0.13 . . . . . . . 108 ASP CB . 50831 1 197 . 1 . 1 46 46 ASP N N 15 119.508 0.02 . . . . . . . 108 ASP N . 50831 1 198 . 1 . 1 47 47 GLU H H 1 7.365 0.01 . . . . . . . 109 GLU H . 50831 1 199 . 1 . 1 47 47 GLU C C 13 178.666 0.00 . . . . . . . 109 GLU CO . 50831 1 200 . 1 . 1 47 47 GLU CA C 13 58.826 0.02 . . . . . . . 109 GLU CA . 50831 1 201 . 1 . 1 47 47 GLU CB C 13 28.240 0.02 . . . . . . . 109 GLU CB . 50831 1 202 . 1 . 1 47 47 GLU N N 15 122.970 0.02 . . . . . . . 109 GLU N . 50831 1 203 . 1 . 1 48 48 VAL H H 1 7.657 0.00 . . . . . . . 110 VAL H . 50831 1 204 . 1 . 1 48 48 VAL C C 13 177.813 0.00 . . . . . . . 110 VAL CO . 50831 1 205 . 1 . 1 48 48 VAL CA C 13 65.344 0.04 . . . . . . . 110 VAL CA . 50831 1 206 . 1 . 1 48 48 VAL CB C 13 30.346 0.02 . . . . . . . 110 VAL CB . 50831 1 207 . 1 . 1 48 48 VAL N N 15 124.166 0.01 . . . . . . . 110 VAL N . 50831 1 208 . 1 . 1 49 49 VAL H H 1 7.836 0.01 . . . . . . . 111 VAL H . 50831 1 209 . 1 . 1 49 49 VAL C C 13 179.421 0.00 . . . . . . . 111 VAL CO . 50831 1 210 . 1 . 1 49 49 VAL CA C 13 66.114 0.02 . . . . . . . 111 VAL CA . 50831 1 211 . 1 . 1 49 49 VAL CB C 13 30.692 0.04 . . . . . . . 111 VAL CB . 50831 1 212 . 1 . 1 49 49 VAL N N 15 119.595 0.02 . . . . . . . 111 VAL N . 50831 1 213 . 1 . 1 50 50 SER H H 1 7.874 0.01 . . . . . . . 112 SER H . 50831 1 214 . 1 . 1 50 50 SER CA C 13 60.806 0.00 . . . . . . . 112 SER CA . 50831 1 215 . 1 . 1 50 50 SER CB C 13 62.426 0.00 . . . . . . . 112 SER CB . 50831 1 216 . 1 . 1 50 50 SER N N 15 114.499 0.03 . . . . . . . 112 SER N . 50831 1 217 . 1 . 1 53 53 GLU C C 13 178.072 0.00 . . . . . . . 115 GLU CO . 50831 1 218 . 1 . 1 53 53 GLU CA C 13 58.105 0.03 . . . . . . . 115 GLU CA . 50831 1 219 . 1 . 1 53 53 GLU CB C 13 27.907 0.06 . . . . . . . 115 GLU CB . 50831 1 220 . 1 . 1 54 54 LYS H H 1 7.348 0.00 . . . . . . . 116 LYS H . 50831 1 221 . 1 . 1 54 54 LYS C C 13 176.700 0.00 . . . . . . . 116 LYS CO . 50831 1 222 . 1 . 1 54 54 LYS CA C 13 55.986 0.01 . . . . . . . 116 LYS CA . 50831 1 223 . 1 . 1 54 54 LYS CB C 13 32.266 0.02 . . . . . . . 116 LYS CB . 50831 1 224 . 1 . 1 54 54 LYS N N 15 117.633 0.03 . . . . . . . 116 LYS N . 50831 1 225 . 1 . 1 55 55 GLY H H 1 7.709 0.00 . . . . . . . 117 GLY H . 50831 1 226 . 1 . 1 55 55 GLY C C 13 175.927 0.00 . . . . . . . 117 GLY CO . 50831 1 227 . 1 . 1 55 55 GLY CA C 13 46.080 0.02 . . . . . . . 117 GLY CA . 50831 1 228 . 1 . 1 55 55 GLY N N 15 107.875 0.01 . . . . . . . 117 GLY N . 50831 1 229 . 1 . 1 56 56 LEU H H 1 6.972 0.00 . . . . . . . 118 LEU H . 50831 1 230 . 1 . 1 56 56 LEU C C 13 176.972 0.00 . . . . . . . 118 LEU CO . 50831 1 231 . 1 . 1 56 56 LEU CA C 13 54.623 0.03 . . . . . . . 118 LEU CA . 50831 1 232 . 1 . 1 56 56 LEU CB C 13 40.524 0.00 . . . . . . . 118 LEU CB . 50831 1 233 . 1 . 1 56 56 LEU N N 15 116.824 0.02 . . . . . . . 118 LEU N . 50831 1 234 . 1 . 1 57 57 TYR H H 1 7.938 0.00 . . . . . . . 119 TYR H . 50831 1 235 . 1 . 1 57 57 TYR C C 13 175.952 0.00 . . . . . . . 119 TYR CO . 50831 1 236 . 1 . 1 57 57 TYR CA C 13 56.158 0.16 . . . . . . . 119 TYR CA . 50831 1 237 . 1 . 1 57 57 TYR CB C 13 39.701 0.07 . . . . . . . 119 TYR CB . 50831 1 238 . 1 . 1 57 57 TYR N N 15 118.727 0.01 . . . . . . . 119 TYR N . 50831 1 239 . 1 . 1 58 58 ASN H H 1 9.704 0.00 . . . . . . . 120 ASN H . 50831 1 240 . 1 . 1 58 58 ASN C C 13 177.159 0.00 . . . . . . . 120 ASN CO . 50831 1 241 . 1 . 1 58 58 ASN CA C 13 52.910 0.00 . . . . . . . 120 ASN CA . 50831 1 242 . 1 . 1 58 58 ASN CB C 13 37.167 0.03 . . . . . . . 120 ASN CB . 50831 1 243 . 1 . 1 58 58 ASN N N 15 120.811 0.01 . . . . . . . 120 ASN N . 50831 1 244 . 1 . 1 59 59 GLU H H 1 8.533 0.00 . . . . . . . 121 GLU H . 50831 1 245 . 1 . 1 59 59 GLU C C 13 176.138 0.00 . . . . . . . 121 GLU CO . 50831 1 246 . 1 . 1 59 59 GLU CA C 13 59.305 0.00 . . . . . . . 121 GLU CA . 50831 1 247 . 1 . 1 59 59 GLU CB C 13 28.630 0.12 . . . . . . . 121 GLU CB . 50831 1 248 . 1 . 1 59 59 GLU N N 15 121.417 0.01 . . . . . . . 121 GLU N . 50831 1 249 . 1 . 1 60 60 HIS H H 1 8.392 0.00 . . . . . . . 122 HIS H . 50831 1 250 . 1 . 1 60 60 HIS C C 13 174.777 0.00 . . . . . . . 122 HIS CO . 50831 1 251 . 1 . 1 60 60 HIS CA C 13 54.938 0.08 . . . . . . . 122 HIS CA . 50831 1 252 . 1 . 1 60 60 HIS CB C 13 30.817 1.75 . . . . . . . 122 HIS CB . 50831 1 253 . 1 . 1 60 60 HIS N N 15 119.201 0.10 . . . . . . . 122 HIS N . 50831 1 254 . 1 . 1 61 61 THR H H 1 8.668 0.02 . . . . . . . 123 THR H . 50831 1 255 . 1 . 1 61 61 THR C C 13 174.501 0.00 . . . . . . . 123 THR CO . 50831 1 256 . 1 . 1 61 61 THR CA C 13 61.601 0.00 . . . . . . . 123 THR CA . 50831 1 257 . 1 . 1 61 61 THR CB C 13 69.244 0.00 . . . . . . . 123 THR CB . 50831 1 258 . 1 . 1 61 61 THR N N 15 126.455 0.02 . . . . . . . 123 THR N . 50831 1 259 . 1 . 1 62 62 VAL H H 1 8.038 0.01 . . . . . . . 124 VAL H . 50831 1 260 . 1 . 1 62 62 VAL C C 13 175.643 0.00 . . . . . . . 124 VAL CO . 50831 1 261 . 1 . 1 62 62 VAL CA C 13 61.665 0.07 . . . . . . . 124 VAL CA . 50831 1 262 . 1 . 1 62 62 VAL CB C 13 31.913 0.00 . . . . . . . 124 VAL CB . 50831 1 263 . 1 . 1 62 62 VAL N N 15 122.353 0.05 . . . . . . . 124 VAL N . 50831 1 264 . 1 . 1 63 63 ASP H H 1 8.223 0.00 . . . . . . . 125 ASP H . 50831 1 265 . 1 . 1 63 63 ASP C C 13 175.762 0.00 . . . . . . . 125 ASP CO . 50831 1 266 . 1 . 1 63 63 ASP CA C 13 53.825 0.00 . . . . . . . 125 ASP CA . 50831 1 267 . 1 . 1 63 63 ASP CB C 13 40.281 0.14 . . . . . . . 125 ASP CB . 50831 1 268 . 1 . 1 63 63 ASP N N 15 124.235 0.06 . . . . . . . 125 ASP N . 50831 1 269 . 1 . 1 64 64 ARG H H 1 8.068 0.00 . . . . . . . 126 ARG H . 50831 1 270 . 1 . 1 64 64 ARG C C 13 176.226 0.00 . . . . . . . 126 ARG CO . 50831 1 271 . 1 . 1 64 64 ARG CA C 13 58.141 2.12 . . . . . . . 126 ARG CA . 50831 1 272 . 1 . 1 64 64 ARG CB C 13 31.617 1.29 . . . . . . . 126 ARG CB . 50831 1 273 . 1 . 1 64 64 ARG N N 15 122.000 0.03 . . . . . . . 126 ARG N . 50831 1 274 . 1 . 1 65 65 ALA H H 1 8.264 0.00 . . . . . . . 127 ALA H . 50831 1 275 . 1 . 1 65 65 ALA CA C 13 54.897 0.00 . . . . . . . 127 ALA CA . 50831 1 276 . 1 . 1 65 65 ALA CB C 13 21.43 0.00 . . . . . . . 127 ALA CB . 50831 1 277 . 1 . 1 65 65 ALA N N 15 127.956 0.05 . . . . . . . 127 ALA N . 50831 1 278 . 1 . 1 66 66 PRO C C 13 174.381 0.00 . . . . . . . 128 PRO CO . 50831 1 279 . 1 . 1 66 66 PRO CA C 13 61.020 0.02 . . . . . . . 128 PRO CA . 50831 1 280 . 1 . 1 66 66 PRO CB C 13 32.032 0.03 . . . . . . . 128 PRO CB . 50831 1 281 . 1 . 1 67 67 LEU H H 1 8.867 0.00 . . . . . . . 129 LEU H . 50831 1 282 . 1 . 1 67 67 LEU C C 13 173.926 0.00 . . . . . . . 129 LEU CO . 50831 1 283 . 1 . 1 67 67 LEU CA C 13 52.452 0.01 . . . . . . . 129 LEU CA . 50831 1 284 . 1 . 1 67 67 LEU CB C 13 43.832 0.07 . . . . . . . 129 LEU CB . 50831 1 285 . 1 . 1 67 67 LEU N N 15 130.759 0.03 . . . . . . . 129 LEU N . 50831 1 286 . 1 . 1 68 68 ARG H H 1 8.215 0.00 . . . . . . . 130 ARG H . 50831 1 287 . 1 . 1 68 68 ARG C C 13 175.010 0.00 . . . . . . . 130 ARG CO . 50831 1 288 . 1 . 1 68 68 ARG CA C 13 55.361 0.01 . . . . . . . 130 ARG CA . 50831 1 289 . 1 . 1 68 68 ARG CB C 13 30.564 0.08 . . . . . . . 130 ARG CB . 50831 1 290 . 1 . 1 68 68 ARG N N 15 124.741 0.05 . . . . . . . 130 ARG N . 50831 1 291 . 1 . 1 69 69 ASN H H 1 8.283 0.01 . . . . . . . 131 ASN H . 50831 1 292 . 1 . 1 69 69 ASN CA C 13 50.064 0.00 . . . . . . . 131 ASN CA . 50831 1 293 . 1 . 1 69 69 ASN N N 15 129.100 0.13 . . . . . . . 131 ASN N . 50831 1 294 . 1 . 1 71 71 TYR C C 13 173.924 0.00 . . . . . . . 133 TYR CO . 50831 1 295 . 1 . 1 71 71 TYR CA C 13 54.301 0.01 . . . . . . . 133 TYR CA . 50831 1 296 . 1 . 1 71 71 TYR CB C 13 38.419 0.00 . . . . . . . 133 TYR CB . 50831 1 297 . 1 . 1 72 72 PHE H H 1 9.439 0.01 . . . . . . . 134 PHE H . 50831 1 298 . 1 . 1 72 72 PHE C C 13 172.314 0.00 . . . . . . . 134 PHE CO . 50831 1 299 . 1 . 1 72 72 PHE CA C 13 56.872 0.05 . . . . . . . 134 PHE CA . 50831 1 300 . 1 . 1 72 72 PHE CB C 13 40.582 0.00 . . . . . . . 134 PHE CB . 50831 1 301 . 1 . 1 72 72 PHE N N 15 123.321 0.02 . . . . . . . 134 PHE N . 50831 1 302 . 1 . 1 73 73 PHE H H 1 8.104 0.01 . . . . . . . 135 PHE H . 50831 1 303 . 1 . 1 73 73 PHE C C 13 177.937 0.00 . . . . . . . 135 PHE CO . 50831 1 304 . 1 . 1 73 73 PHE CA C 13 54.756 0.01 . . . . . . . 135 PHE CA . 50831 1 305 . 1 . 1 73 73 PHE CB C 13 40.740 0.01 . . . . . . . 135 PHE CB . 50831 1 306 . 1 . 1 73 73 PHE N N 15 114.131 0.02 . . . . . . . 135 PHE N . 50831 1 307 . 1 . 1 74 74 GLY H H 1 9.690 0.00 . . . . . . . 136 GLY H . 50831 1 308 . 1 . 1 74 74 GLY C C 13 174.806 0.00 . . . . . . . 136 GLY CO . 50831 1 309 . 1 . 1 74 74 GLY CA C 13 46.730 0.02 . . . . . . . 136 GLY CA . 50831 1 310 . 1 . 1 74 74 GLY N N 15 115.209 0.01 . . . . . . . 136 GLY N . 50831 1 311 . 1 . 1 75 75 GLU H H 1 7.730 0.01 . . . . . . . 137 GLU H . 50831 1 312 . 1 . 1 75 75 GLU C C 13 175.608 0.00 . . . . . . . 137 GLU CO . 50831 1 313 . 1 . 1 75 75 GLU CA C 13 54.549 0.06 . . . . . . . 137 GLU CA . 50831 1 314 . 1 . 1 75 75 GLU CB C 13 33.389 0.04 . . . . . . . 137 GLU CB . 50831 1 315 . 1 . 1 75 75 GLU N N 15 118.163 0.03 . . . . . . . 137 GLU N . 50831 1 316 . 1 . 1 76 76 GLY H H 1 9.001 0.01 . . . . . . . 138 GLY H . 50831 1 317 . 1 . 1 76 76 GLY CA C 13 43.773 0.09 . . . . . . . 138 GLY CA . 50831 1 318 . 1 . 1 76 76 GLY N N 15 107.954 0.01 . . . . . . . 138 GLY N . 50831 1 319 . 1 . 1 77 77 TYR C C 13 172.834 0.00 . . . . . . . 139 TYR CO . 50831 1 320 . 1 . 1 77 77 TYR CA C 13 53.100 0.01 . . . . . . . 139 TYR CA . 50831 1 321 . 1 . 1 77 77 TYR CB C 13 40.736 0.00 . . . . . . . 139 TYR CB . 50831 1 322 . 1 . 1 78 78 THR H H 1 8.474 0.01 . . . . . . . 140 THR H . 50831 1 323 . 1 . 1 78 78 THR C C 13 173.099 0.00 . . . . . . . 140 THR CO . 50831 1 324 . 1 . 1 78 78 THR CA C 13 58.638 0.03 . . . . . . . 140 THR CA . 50831 1 325 . 1 . 1 78 78 THR CB C 13 70.243 0.11 . . . . . . . 140 THR CB . 50831 1 326 . 1 . 1 78 78 THR N N 15 110.601 0.02 . . . . . . . 140 THR N . 50831 1 327 . 1 . 1 79 79 TYR H H 1 7.120 0.00 . . . . . . . 141 TYR H . 50831 1 328 . 1 . 1 79 79 TYR C C 13 175.055 0.00 . . . . . . . 141 TYR CO . 50831 1 329 . 1 . 1 79 79 TYR CA C 13 55.961 0.06 . . . . . . . 141 TYR CA . 50831 1 330 . 1 . 1 79 79 TYR CB C 13 38.260 0.11 . . . . . . . 141 TYR CB . 50831 1 331 . 1 . 1 79 79 TYR N N 15 110.807 0.02 . . . . . . . 141 TYR N . 50831 1 332 . 1 . 1 80 80 GLY H H 1 8.724 0.01 . . . . . . . 142 GLY H . 50831 1 333 . 1 . 1 80 80 GLY C C 13 174.967 0.00 . . . . . . . 142 GLY CO . 50831 1 334 . 1 . 1 80 80 GLY CA C 13 47.094 0.04 . . . . . . . 142 GLY CA . 50831 1 335 . 1 . 1 80 80 GLY N N 15 109.408 0.10 . . . . . . . 142 GLY N . 50831 1 336 . 1 . 1 81 81 ALA H H 1 9.260 0.01 . . . . . . . 143 ALA H . 50831 1 337 . 1 . 1 81 81 ALA C C 13 177.860 0.00 . . . . . . . 143 ALA CO . 50831 1 338 . 1 . 1 81 81 ALA CA C 13 52.136 0.91 . . . . . . . 143 ALA CA . 50831 1 339 . 1 . 1 81 81 ALA CB C 13 18.679 1.42 . . . . . . . 143 ALA CB . 50831 1 340 . 1 . 1 81 81 ALA N N 15 127.741 0.05 . . . . . . . 143 ALA N . 50831 1 341 . 1 . 1 82 82 GLN H H 1 7.250 0.01 . . . . . . . 144 GLN H . 50831 1 342 . 1 . 1 82 82 GLN C C 13 176.962 0.00 . . . . . . . 144 GLN CO . 50831 1 343 . 1 . 1 82 82 GLN CA C 13 55.788 0.02 . . . . . . . 144 GLN CA . 50831 1 344 . 1 . 1 82 82 GLN CB C 13 27.549 0.02 . . . . . . . 144 GLN CB . 50831 1 345 . 1 . 1 82 82 GLN N N 15 115.302 0.05 . . . . . . . 144 GLN N . 50831 1 346 . 1 . 1 83 83 LEU H H 1 7.448 0.00 . . . . . . . 145 LEU H . 50831 1 347 . 1 . 1 83 83 LEU C C 13 177.275 0.00 . . . . . . . 145 LEU CO . 50831 1 348 . 1 . 1 83 83 LEU CA C 13 54.027 0.01 . . . . . . . 145 LEU CA . 50831 1 349 . 1 . 1 83 83 LEU CB C 13 39.597 0.06 . . . . . . . 145 LEU CB . 50831 1 350 . 1 . 1 83 83 LEU N N 15 119.781 0.03 . . . . . . . 145 LEU N . 50831 1 351 . 1 . 1 84 84 GLN H H 1 8.254 0.00 . . . . . . . 146 GLN H . 50831 1 352 . 1 . 1 84 84 GLN C C 13 176.110 0.00 . . . . . . . 146 GLN CO . 50831 1 353 . 1 . 1 84 84 GLN CA C 13 57.607 0.02 . . . . . . . 146 GLN CA . 50831 1 354 . 1 . 1 84 84 GLN CB C 13 27.693 0.08 . . . . . . . 146 GLN CB . 50831 1 355 . 1 . 1 84 84 GLN N N 15 122.130 0.02 . . . . . . . 146 GLN N . 50831 1 356 . 1 . 1 85 85 LYS H H 1 7.396 0.01 . . . . . . . 147 LYS H . 50831 1 357 . 1 . 1 85 85 LYS C C 13 174.214 0.00 . . . . . . . 147 LYS CO . 50831 1 358 . 1 . 1 85 85 LYS CA C 13 54.501 0.02 . . . . . . . 147 LYS CA . 50831 1 359 . 1 . 1 85 85 LYS CB C 13 33.464 0.02 . . . . . . . 147 LYS CB . 50831 1 360 . 1 . 1 85 85 LYS N N 15 118.272 0.02 . . . . . . . 147 LYS N . 50831 1 361 . 1 . 1 86 86 ARG H H 1 8.046 0.00 . . . . . . . 148 ARG H . 50831 1 362 . 1 . 1 86 86 ARG C C 13 176.634 0.00 . . . . . . . 148 ARG CO . 50831 1 363 . 1 . 1 86 86 ARG CA C 13 54.878 0.02 . . . . . . . 148 ARG CA . 50831 1 364 . 1 . 1 86 86 ARG CB C 13 29.566 0.05 . . . . . . . 148 ARG CB . 50831 1 365 . 1 . 1 86 86 ARG N N 15 120.594 0.03 . . . . . . . 148 ARG N . 50831 1 366 . 1 . 1 87 87 GLY H H 1 8.085 0.01 . . . . . . . 149 GLY H . 50831 1 367 . 1 . 1 87 87 GLY CA C 13 43.740 0.00 . . . . . . . 149 GLY CA . 50831 1 368 . 1 . 1 87 87 GLY N N 15 109.946 0.02 . . . . . . . 149 GLY N . 50831 1 369 . 1 . 1 88 88 PRO C C 13 178.820 0.00 . . . . . . . 150 PRO CO . 50831 1 370 . 1 . 1 88 88 PRO CA C 13 62.712 0.00 . . . . . . . 150 PRO CA . 50831 1 371 . 1 . 1 88 88 PRO CB C 13 30.568 0.00 . . . . . . . 150 PRO CB . 50831 1 372 . 1 . 1 89 89 GLY H H 1 9.485 0.00 . . . . . . . 151 GLY H . 50831 1 373 . 1 . 1 89 89 GLY C C 13 175.406 0.00 . . . . . . . 151 GLY CO . 50831 1 374 . 1 . 1 89 89 GLY CA C 13 44.513 0.06 . . . . . . . 151 GLY CA . 50831 1 375 . 1 . 1 89 89 GLY N N 15 112.051 0.02 . . . . . . . 151 GLY N . 50831 1 376 . 1 . 1 90 90 GLN H H 1 7.109 0.01 . . . . . . . 152 GLN H . 50831 1 377 . 1 . 1 90 90 GLN C C 13 176.398 0.00 . . . . . . . 152 GLN CO . 50831 1 378 . 1 . 1 90 90 GLN CA C 13 55.985 0.02 . . . . . . . 152 GLN CA . 50831 1 379 . 1 . 1 90 90 GLN CB C 13 28.953 0.02 . . . . . . . 152 GLN CB . 50831 1 380 . 1 . 1 90 90 GLN N N 15 116.742 0.02 . . . . . . . 152 GLN N . 50831 1 381 . 1 . 1 91 91 GLU H H 1 9.525 0.00 . . . . . . . 153 GLU H . 50831 1 382 . 1 . 1 91 91 GLU C C 13 177.240 0.00 . . . . . . . 153 GLU CO . 50831 1 383 . 1 . 1 91 91 GLU CA C 13 59.280 0.03 . . . . . . . 153 GLU CA . 50831 1 384 . 1 . 1 91 91 GLU CB C 13 27.968 0.06 . . . . . . . 153 GLU CB . 50831 1 385 . 1 . 1 91 91 GLU N N 15 119.997 0.02 . . . . . . . 153 GLU N . 50831 1 386 . 1 . 1 92 92 ARG H H 1 7.714 0.00 . . . . . . . 154 ARG H . 50831 1 387 . 1 . 1 92 92 ARG C C 13 174.873 0.00 . . . . . . . 154 ARG CO . 50831 1 388 . 1 . 1 92 92 ARG CA C 13 52.580 0.01 . . . . . . . 154 ARG CA . 50831 1 389 . 1 . 1 92 92 ARG CB C 13 34.250 0.04 . . . . . . . 154 ARG CB . 50831 1 390 . 1 . 1 92 92 ARG N N 15 122.075 0.02 . . . . . . . 154 ARG N . 50831 1 391 . 1 . 1 93 93 LEU H H 1 7.974 0.00 . . . . . . . 155 LEU H . 50831 1 392 . 1 . 1 93 93 LEU C C 13 176.519 0.00 . . . . . . . 155 LEU CO . 50831 1 393 . 1 . 1 93 93 LEU CA C 13 53.547 0.83 . . . . . . . 155 LEU CA . 50831 1 394 . 1 . 1 93 93 LEU CB C 13 41.969 0.54 . . . . . . . 155 LEU CB . 50831 1 395 . 1 . 1 93 93 LEU N N 15 116.229 0.01 . . . . . . . 155 LEU N . 50831 1 396 . 1 . 1 94 94 TYR H H 1 8.147 0.00 . . . . . . . 156 TYR H . 50831 1 397 . 1 . 1 94 94 TYR CA C 13 54.501 0.00 . . . . . . . 156 TYR CA . 50831 1 398 . 1 . 1 94 94 TYR N N 15 128.721 0.09 . . . . . . . 156 TYR N . 50831 1 399 . 1 . 1 96 96 PRO C C 13 178.014 0.00 . . . . . . . 158 PRO CO . 50831 1 400 . 1 . 1 96 96 PRO CA C 13 63.528 0.01 . . . . . . . 158 PRO CA . 50831 1 401 . 1 . 1 96 96 PRO CB C 13 30.536 0.01 . . . . . . . 158 PRO CB . 50831 1 402 . 1 . 1 97 97 GLY H H 1 8.718 0.00 . . . . . . . 159 GLY H . 50831 1 403 . 1 . 1 97 97 GLY C C 13 174.448 0.00 . . . . . . . 159 GLY CO . 50831 1 404 . 1 . 1 97 97 GLY CA C 13 44.938 0.04 . . . . . . . 159 GLY CA . 50831 1 405 . 1 . 1 97 97 GLY N N 15 113.350 0.01 . . . . . . . 159 GLY N . 50831 1 406 . 1 . 1 98 98 ASP H H 1 7.645 0.00 . . . . . . . 160 ASP H . 50831 1 407 . 1 . 1 98 98 ASP C C 13 177.141 0.00 . . . . . . . 160 ASP CO . 50831 1 408 . 1 . 1 98 98 ASP CA C 13 55.698 0.03 . . . . . . . 160 ASP CA . 50831 1 409 . 1 . 1 98 98 ASP CB C 13 41.402 0.00 . . . . . . . 160 ASP CB . 50831 1 410 . 1 . 1 98 98 ASP N N 15 120.829 0.02 . . . . . . . 160 ASP N . 50831 1 411 . 1 . 1 99 99 VAL H H 1 7.363 0.00 . . . . . . . 161 VAL H . 50831 1 412 . 1 . 1 99 99 VAL C C 13 175.792 0.00 . . . . . . . 161 VAL CO . 50831 1 413 . 1 . 1 99 99 VAL CA C 13 58.345 0.02 . . . . . . . 161 VAL CA . 50831 1 414 . 1 . 1 99 99 VAL CB C 13 31.074 0.02 . . . . . . . 161 VAL CB . 50831 1 415 . 1 . 1 99 99 VAL N N 15 110.353 0.02 . . . . . . . 161 VAL N . 50831 1 416 . 1 . 1 100 100 ASP H H 1 7.452 0.01 . . . . . . . 162 ASP H . 50831 1 417 . 1 . 1 100 100 ASP C C 13 174.752 0.00 . . . . . . . 162 ASP CO . 50831 1 418 . 1 . 1 100 100 ASP CA C 13 54.867 0.01 . . . . . . . 162 ASP CA . 50831 1 419 . 1 . 1 100 100 ASP CB C 13 43.092 0.01 . . . . . . . 162 ASP CB . 50831 1 420 . 1 . 1 100 100 ASP N N 15 122.966 0.02 . . . . . . . 162 ASP N . 50831 1 421 . 1 . 1 101 101 GLU H H 1 8.610 0.00 . . . . . . . 163 GLU H . 50831 1 422 . 1 . 1 101 101 GLU CA C 13 55.194 0.00 . . . . . . . 163 GLU CA . 50831 1 423 . 1 . 1 101 101 GLU CB C 13 29.219 0.00 . . . . . . . 163 GLU CB . 50831 1 424 . 1 . 1 101 101 GLU N N 15 118.540 0.01 . . . . . . . 163 GLU N . 50831 1 425 . 1 . 1 103 103 PRO C C 13 177.577 0.00 . . . . . . . 165 PRO CO . 50831 1 426 . 1 . 1 103 103 PRO CA C 13 61.802 0.00 . . . . . . . 165 PRO CA . 50831 1 427 . 1 . 1 103 103 PRO CB C 13 32.057 0.01 . . . . . . . 165 PRO CB . 50831 1 428 . 1 . 1 104 104 GLU H H 1 8.930 0.01 . . . . . . . 166 GLU H . 50831 1 429 . 1 . 1 104 104 GLU C C 13 179.154 0.00 . . . . . . . 166 GLU CO . 50831 1 430 . 1 . 1 104 104 GLU CA C 13 59.337 0.02 . . . . . . . 166 GLU CA . 50831 1 431 . 1 . 1 104 104 GLU CB C 13 27.581 0.01 . . . . . . . 166 GLU CB . 50831 1 432 . 1 . 1 104 104 GLU N N 15 125.882 0.05 . . . . . . . 166 GLU N . 50831 1 433 . 1 . 1 105 105 TRP H H 1 8.151 0.01 . . . . . . . 167 TRP H . 50831 1 434 . 1 . 1 105 105 TRP C C 13 178.532 0.00 . . . . . . . 167 TRP CO . 50831 1 435 . 1 . 1 105 105 TRP CA C 13 58.938 0.00 . . . . . . . 167 TRP CA . 50831 1 436 . 1 . 1 105 105 TRP CB C 13 26.929 0.00 . . . . . . . 167 TRP CB . 50831 1 437 . 1 . 1 105 105 TRP N N 15 115.895 0.02 . . . . . . . 167 TRP N . 50831 1 438 . 1 . 1 106 106 VAL H H 1 6.511 0.01 . . . . . . . 168 VAL H . 50831 1 439 . 1 . 1 106 106 VAL C C 13 179.291 0.00 . . . . . . . 168 VAL CO . 50831 1 440 . 1 . 1 106 106 VAL CA C 13 65.292 0.07 . . . . . . . 168 VAL CA . 50831 1 441 . 1 . 1 106 106 VAL CB C 13 28.713 0.00 . . . . . . . 168 VAL CB . 50831 1 442 . 1 . 1 106 106 VAL N N 15 123.477 0.03 . . . . . . . 168 VAL N . 50831 1 443 . 1 . 1 107 107 HIS H H 1 6.941 0.00 . . . . . . . 169 HIS H . 50831 1 444 . 1 . 1 107 107 HIS C C 13 175.750 0.00 . . . . . . . 169 HIS CO . 50831 1 445 . 1 . 1 107 107 HIS CA C 13 59.882 0.01 . . . . . . . 169 HIS CA . 50831 1 446 . 1 . 1 107 107 HIS CB C 13 28.216 0.08 . . . . . . . 169 HIS CB . 50831 1 447 . 1 . 1 107 107 HIS N N 15 119.380 0.03 . . . . . . . 169 HIS N . 50831 1 448 . 1 . 1 108 108 GLN H H 1 8.464 0.01 . . . . . . . 170 GLN H . 50831 1 449 . 1 . 1 108 108 GLN C C 13 177.572 0.00 . . . . . . . 170 GLN CO . 50831 1 450 . 1 . 1 108 108 GLN CA C 13 58.480 0.03 . . . . . . . 170 GLN CA . 50831 1 451 . 1 . 1 108 108 GLN CB C 13 28.828 0.00 . . . . . . . 170 GLN CB . 50831 1 452 . 1 . 1 108 108 GLN N N 15 116.123 0.03 . . . . . . . 170 GLN N . 50831 1 453 . 1 . 1 109 109 LEU H H 1 8.747 0.01 . . . . . . . 171 LEU H . 50831 1 454 . 1 . 1 109 109 LEU CA C 13 55.339 0.00 . . . . . . . 171 LEU CA . 50831 1 455 . 1 . 1 109 109 LEU CB C 13 41.661 0.00 . . . . . . . 171 LEU CB . 50831 1 456 . 1 . 1 109 109 LEU N N 15 112.811 0.03 . . . . . . . 171 LEU N . 50831 1 457 . 1 . 1 111 111 ILE C C 13 177.806 0.00 . . . . . . . 173 ILE CO . 50831 1 458 . 1 . 1 111 111 ILE CA C 13 66.540 0.00 . . . . . . . 173 ILE CA . 50831 1 459 . 1 . 1 112 112 GLN H H 1 8.216 0.01 . . . . . . . 174 GLN H . 50831 1 460 . 1 . 1 112 112 GLN C C 13 177.875 0.00 . . . . . . . 174 GLN CO . 50831 1 461 . 1 . 1 112 112 GLN CA C 13 58.924 0.03 . . . . . . . 174 GLN CA . 50831 1 462 . 1 . 1 112 112 GLN CB C 13 27.276 0.08 . . . . . . . 174 GLN CB . 50831 1 463 . 1 . 1 112 112 GLN N N 15 116.715 0.02 . . . . . . . 174 GLN N . 50831 1 464 . 1 . 1 113 113 LYS H H 1 6.487 0.01 . . . . . . . 175 LYS H . 50831 1 465 . 1 . 1 113 113 LYS C C 13 179.019 0.00 . . . . . . . 175 LYS CO . 50831 1 466 . 1 . 1 113 113 LYS CA C 13 58.219 0.05 . . . . . . . 175 LYS CA . 50831 1 467 . 1 . 1 113 113 LYS CB C 13 30.533 0.08 . . . . . . . 175 LYS CB . 50831 1 468 . 1 . 1 113 113 LYS N N 15 117.418 0.03 . . . . . . . 175 LYS N . 50831 1 469 . 1 . 1 114 114 LEU H H 1 7.438 0.00 . . . . . . . 176 LEU H . 50831 1 470 . 1 . 1 114 114 LEU CA C 13 57.711 0.00 . . . . . . . 176 LEU CA . 50831 1 471 . 1 . 1 114 114 LEU CB C 13 40.339 0.00 . . . . . . . 176 LEU CB . 50831 1 472 . 1 . 1 114 114 LEU N N 15 118.868 0.04 . . . . . . . 176 LEU N . 50831 1 473 . 1 . 1 115 115 VAL C C 13 181.712 0.00 . . . . . . . 177 VAL CO . 50831 1 474 . 1 . 1 115 115 VAL CA C 13 64.830 0.06 . . . . . . . 177 VAL CA . 50831 1 475 . 1 . 1 115 115 VAL CB C 13 31.429 0.00 . . . . . . . 177 VAL CB . 50831 1 476 . 1 . 1 116 116 GLU H H 1 8.598 0.01 . . . . . . . 178 GLU H . 50831 1 477 . 1 . 1 116 116 GLU C C 13 178.059 0.00 . . . . . . . 178 GLU CO . 50831 1 478 . 1 . 1 116 116 GLU CA C 13 58.664 0.01 . . . . . . . 178 GLU CA . 50831 1 479 . 1 . 1 116 116 GLU CB C 13 27.995 0.19 . . . . . . . 178 GLU CB . 50831 1 480 . 1 . 1 116 116 GLU N N 15 123.389 0.03 . . . . . . . 178 GLU N . 50831 1 481 . 1 . 1 117 117 HIS H H 1 7.371 0.00 . . . . . . . 179 HIS H . 50831 1 482 . 1 . 1 117 117 HIS CA C 13 55.751 0.00 . . . . . . . 179 HIS CA . 50831 1 483 . 1 . 1 117 117 HIS CB C 13 27.401 0.00 . . . . . . . 179 HIS CB . 50831 1 484 . 1 . 1 117 117 HIS N N 15 113.235 0.02 . . . . . . . 179 HIS N . 50831 1 485 . 1 . 1 119 119 VAL C C 13 175.523 0.00 . . . . . . . 181 VAL CO . 50831 1 486 . 1 . 1 119 119 VAL CA C 13 64.727 0.00 . . . . . . . 181 VAL CA . 50831 1 487 . 1 . 1 119 119 VAL CB C 13 31.237 0.24 . . . . . . . 181 VAL CB . 50831 1 488 . 1 . 1 120 120 ILE H H 1 6.607 0.00 . . . . . . . 182 ILE H . 50831 1 489 . 1 . 1 120 120 ILE CA C 13 56.476 0.00 . . . . . . . 182 ILE CA . 50831 1 490 . 1 . 1 120 120 ILE CB C 13 39.612 0.00 . . . . . . . 182 ILE CB . 50831 1 491 . 1 . 1 120 120 ILE N N 15 108.705 0.01 . . . . . . . 182 ILE N . 50831 1 492 . 1 . 1 121 121 PRO C C 13 176.585 0.00 . . . . . . . 183 PRO CO . 50831 1 493 . 1 . 1 121 121 PRO CA C 13 61.189 0.00 . . . . . . . 183 PRO CA . 50831 1 494 . 1 . 1 121 121 PRO CB C 13 31.495 0.03 . . . . . . . 183 PRO CB . 50831 1 495 . 1 . 1 122 122 GLU H H 1 8.576 0.00 . . . . . . . 184 GLU H . 50831 1 496 . 1 . 1 122 122 GLU C C 13 177.686 0.00 . . . . . . . 184 GLU CO . 50831 1 497 . 1 . 1 122 122 GLU CA C 13 57.017 0.01 . . . . . . . 184 GLU CA . 50831 1 498 . 1 . 1 122 122 GLU CB C 13 28.292 0.01 . . . . . . . 184 GLU CB . 50831 1 499 . 1 . 1 122 122 GLU N N 15 121.941 0.01 . . . . . . . 184 GLU N . 50831 1 500 . 1 . 1 123 123 GLY H H 1 8.954 0.00 . . . . . . . 185 GLY H . 50831 1 501 . 1 . 1 123 123 GLY C C 13 173.366 0.00 . . . . . . . 185 GLY CO . 50831 1 502 . 1 . 1 123 123 GLY CA C 13 45.264 0.04 . . . . . . . 185 GLY CA . 50831 1 503 . 1 . 1 123 123 GLY N N 15 115.212 0.01 . . . . . . . 185 GLY N . 50831 1 504 . 1 . 1 124 124 PHE H H 1 7.697 0.00 . . . . . . . 186 PHE H . 50831 1 505 . 1 . 1 124 124 PHE C C 13 175.292 0.00 . . . . . . . 186 PHE CO . 50831 1 506 . 1 . 1 124 124 PHE CA C 13 59.946 0.01 . . . . . . . 186 PHE CA . 50831 1 507 . 1 . 1 124 124 PHE CB C 13 41.006 0.07 . . . . . . . 186 PHE CB . 50831 1 508 . 1 . 1 124 124 PHE N N 15 122.293 0.01 . . . . . . . 186 PHE N . 50831 1 509 . 1 . 1 125 125 VAL H H 1 7.967 0.00 . . . . . . . 187 VAL H . 50831 1 510 . 1 . 1 125 125 VAL C C 13 176.936 0.00 . . . . . . . 187 VAL CO . 50831 1 511 . 1 . 1 125 125 VAL CA C 13 63.743 0.02 . . . . . . . 187 VAL CA . 50831 1 512 . 1 . 1 125 125 VAL CB C 13 31.719 0.08 . . . . . . . 187 VAL CB . 50831 1 513 . 1 . 1 125 125 VAL N N 15 115.204 0.03 . . . . . . . 187 VAL N . 50831 1 514 . 1 . 1 126 126 ASN H H 1 8.408 0.01 . . . . . . . 188 ASN H . 50831 1 515 . 1 . 1 126 126 ASN C C 13 174.083 0.00 . . . . . . . 188 ASN CO . 50831 1 516 . 1 . 1 126 126 ASN CA C 13 52.172 0.02 . . . . . . . 188 ASN CA . 50831 1 517 . 1 . 1 126 126 ASN CB C 13 38.472 0.01 . . . . . . . 188 ASN CB . 50831 1 518 . 1 . 1 126 126 ASN N N 15 123.623 0.02 . . . . . . . 188 ASN N . 50831 1 519 . 1 . 1 127 127 SER H H 1 8.027 0.00 . . . . . . . 189 SER H . 50831 1 520 . 1 . 1 127 127 SER C C 13 172.001 0.00 . . . . . . . 189 SER CO . 50831 1 521 . 1 . 1 127 127 SER CA C 13 56.347 0.02 . . . . . . . 189 SER CA . 50831 1 522 . 1 . 1 127 127 SER CB C 13 64.047 0.09 . . . . . . . 189 SER CB . 50831 1 523 . 1 . 1 127 127 SER N N 15 115.052 0.01 . . . . . . . 189 SER N . 50831 1 524 . 1 . 1 128 128 ALA H H 1 9.103 0.00 . . . . . . . 190 ALA H . 50831 1 525 . 1 . 1 128 128 ALA C C 13 174.221 0.00 . . . . . . . 190 ALA CO . 50831 1 526 . 1 . 1 128 128 ALA CA C 13 49.597 0.02 . . . . . . . 190 ALA CA . 50831 1 527 . 1 . 1 128 128 ALA CB C 13 20.369 0.06 . . . . . . . 190 ALA CB . 50831 1 528 . 1 . 1 128 128 ALA N N 15 131.262 0.02 . . . . . . . 190 ALA N . 50831 1 529 . 1 . 1 129 129 VAL H H 1 8.963 0.00 . . . . . . . 191 VAL H . 50831 1 530 . 1 . 1 129 129 VAL CA C 13 59.082 0.00 . . . . . . . 191 VAL CA . 50831 1 531 . 1 . 1 129 129 VAL CB C 13 34.042 0.00 . . . . . . . 191 VAL CB . 50831 1 532 . 1 . 1 129 129 VAL N N 15 122.383 0.02 . . . . . . . 191 VAL N . 50831 1 533 . 1 . 1 130 130 ILE C C 13 173.772 0.00 . . . . . . . 192 ILE CO . 50831 1 534 . 1 . 1 131 131 ASN H H 1 7.891 0.00 . . . . . . . 193 ASN H . 50831 1 535 . 1 . 1 131 131 ASN C C 13 173.616 0.00 . . . . . . . 193 ASN CO . 50831 1 536 . 1 . 1 131 131 ASN CA C 13 52.151 0.00 . . . . . . . 193 ASN CA . 50831 1 537 . 1 . 1 131 131 ASN CB C 13 34.346 0.00 . . . . . . . 193 ASN CB . 50831 1 538 . 1 . 1 131 131 ASN N N 15 124.079 0.02 . . . . . . . 193 ASN N . 50831 1 539 . 1 . 1 132 132 ASP H H 1 9.051 0.01 . . . . . . . 194 ASP H . 50831 1 540 . 1 . 1 132 132 ASP C C 13 175.524 0.00 . . . . . . . 194 ASP CO . 50831 1 541 . 1 . 1 132 132 ASP CA C 13 52.840 0.00 . . . . . . . 194 ASP CA . 50831 1 542 . 1 . 1 132 132 ASP CB C 13 42.262 0.00 . . . . . . . 194 ASP CB . 50831 1 543 . 1 . 1 132 132 ASP N N 15 124.584 0.04 . . . . . . . 194 ASP N . 50831 1 544 . 1 . 1 133 133 TYR H H 1 9.807 0.00 . . . . . . . 195 TYR H . 50831 1 545 . 1 . 1 133 133 TYR C C 13 176.251 0.00 . . . . . . . 195 TYR CO . 50831 1 546 . 1 . 1 133 133 TYR CA C 13 57.320 0.00 . . . . . . . 195 TYR CA . 50831 1 547 . 1 . 1 133 133 TYR CB C 13 40.998 0.00 . . . . . . . 195 TYR CB . 50831 1 548 . 1 . 1 133 133 TYR N N 15 126.933 0.01 . . . . . . . 195 TYR N . 50831 1 549 . 1 . 1 134 134 GLN H H 1 8.267 0.00 . . . . . . . 196 GLN H . 50831 1 550 . 1 . 1 134 134 GLN CA C 13 54.109 0.00 . . . . . . . 196 GLN CA . 50831 1 551 . 1 . 1 134 134 GLN CB C 13 31.877 0.00 . . . . . . . 196 GLN CB . 50831 1 552 . 1 . 1 134 134 GLN N N 15 119.628 0.01 . . . . . . . 196 GLN N . 50831 1 553 . 1 . 1 135 135 PRO C C 13 176.786 0.00 . . . . . . . 197 PRO CO . 50831 1 554 . 1 . 1 136 136 GLY H H 1 8.270 0.00 . . . . . . . 198 GLY H . 50831 1 555 . 1 . 1 136 136 GLY CA C 13 44.686 0.00 . . . . . . . 198 GLY CA . 50831 1 556 . 1 . 1 136 136 GLY N N 15 110.165 0.01 . . . . . . . 198 GLY N . 50831 1 557 . 1 . 1 139 139 ILE C C 13 174.343 0.00 . . . . . . . 201 ILE CO . 50831 1 558 . 1 . 1 139 139 ILE CA C 13 61.353 0.00 . . . . . . . 201 ILE CA . 50831 1 559 . 1 . 1 139 139 ILE CB C 13 40.952 0.00 . . . . . . . 201 ILE CB . 50831 1 560 . 1 . 1 140 140 VAL H H 1 8.971 0.01 . . . . . . . 202 VAL H . 50831 1 561 . 1 . 1 140 140 VAL C C 13 173.263 0.00 . . . . . . . 202 VAL CO . 50831 1 562 . 1 . 1 140 140 VAL CA C 13 63.176 0.06 . . . . . . . 202 VAL CA . 50831 1 563 . 1 . 1 140 140 VAL CB C 13 30.091 0.09 . . . . . . . 202 VAL CB . 50831 1 564 . 1 . 1 140 140 VAL N N 15 129.115 0.04 . . . . . . . 202 VAL N . 50831 1 565 . 1 . 1 141 141 SER H H 1 5.995 0.01 . . . . . . . 203 SER H . 50831 1 566 . 1 . 1 141 141 SER C C 13 170.825 0.00 . . . . . . . 203 SER CO . 50831 1 567 . 1 . 1 141 141 SER CA C 13 56.761 0.02 . . . . . . . 203 SER CA . 50831 1 568 . 1 . 1 141 141 SER CB C 13 63.978 0.00 . . . . . . . 203 SER CB . 50831 1 569 . 1 . 1 141 141 SER N N 15 118.064 0.03 . . . . . . . 203 SER N . 50831 1 570 . 1 . 1 142 142 HIS H H 1 7.619 0.00 . . . . . . . 204 HIS H . 50831 1 571 . 1 . 1 142 142 HIS C C 13 170.450 0.00 . . . . . . . 204 HIS CO . 50831 1 572 . 1 . 1 142 142 HIS CA C 13 55.608 0.02 . . . . . . . 204 HIS CA . 50831 1 573 . 1 . 1 142 142 HIS CB C 13 27.986 0.03 . . . . . . . 204 HIS CB . 50831 1 574 . 1 . 1 142 142 HIS N N 15 116.001 0.01 . . . . . . . 204 HIS N . 50831 1 575 . 1 . 1 143 143 VAL H H 1 8.842 0.01 . . . . . . . 205 VAL H . 50831 1 576 . 1 . 1 143 143 VAL CA C 13 60.497 0.00 . . . . . . . 205 VAL CA . 50831 1 577 . 1 . 1 143 143 VAL CB C 13 33.198 0.00 . . . . . . . 205 VAL CB . 50831 1 578 . 1 . 1 143 143 VAL N N 15 121.981 0.02 . . . . . . . 205 VAL N . 50831 1 579 . 1 . 1 145 145 PRO C C 13 178.916 0.00 . . . . . . . 207 PRO CO . 50831 1 580 . 1 . 1 145 145 PRO CA C 13 64.521 0.00 . . . . . . . 207 PRO CA . 50831 1 581 . 1 . 1 145 145 PRO CB C 13 32.386 0.03 . . . . . . . 207 PRO CB . 50831 1 582 . 1 . 1 146 146 ILE H H 1 9.053 0.00 . . . . . . . 208 ILE H . 50831 1 583 . 1 . 1 146 146 ILE C C 13 176.075 0.00 . . . . . . . 208 ILE CO . 50831 1 584 . 1 . 1 146 146 ILE CA C 13 62.994 0.02 . . . . . . . 208 ILE CA . 50831 1 585 . 1 . 1 146 146 ILE CB C 13 38.344 0.02 . . . . . . . 208 ILE CB . 50831 1 586 . 1 . 1 146 146 ILE N N 15 130.549 0.03 . . . . . . . 208 ILE N . 50831 1 587 . 1 . 1 147 147 HIS H H 1 8.257 0.01 . . . . . . . 209 HIS H . 50831 1 588 . 1 . 1 147 147 HIS C C 13 174.488 0.00 . . . . . . . 209 HIS CO . 50831 1 589 . 1 . 1 147 147 HIS CA C 13 56.654 0.04 . . . . . . . 209 HIS CA . 50831 1 590 . 1 . 1 147 147 HIS CB C 13 28.690 0.02 . . . . . . . 209 HIS CB . 50831 1 591 . 1 . 1 147 147 HIS N N 15 116.475 0.01 . . . . . . . 209 HIS N . 50831 1 592 . 1 . 1 148 148 ILE H H 1 6.299 0.01 . . . . . . . 210 ILE H . 50831 1 593 . 1 . 1 148 148 ILE CA C 13 60.322 0.00 . . . . . . . 210 ILE CA . 50831 1 594 . 1 . 1 148 148 ILE CB C 13 37.988 0.00 . . . . . . . 210 ILE CB . 50831 1 595 . 1 . 1 148 148 ILE N N 15 115.892 0.02 . . . . . . . 210 ILE N . 50831 1 596 . 1 . 1 150 150 GLU C C 13 172.317 0.00 . . . . . . . 212 GLU CO . 50831 1 597 . 1 . 1 150 150 GLU CA C 13 55.730 0.02 . . . . . . . 212 GLU CA . 50831 1 598 . 1 . 1 150 150 GLU CB C 13 27.377 0.02 . . . . . . . 212 GLU CB . 50831 1 599 . 1 . 1 151 151 ARG H H 1 7.991 0.00 . . . . . . . 213 ARG H . 50831 1 600 . 1 . 1 151 151 ARG CA C 13 56.494 0.00 . . . . . . . 213 ARG CA . 50831 1 601 . 1 . 1 151 151 ARG CB C 13 25.073 0.00 . . . . . . . 213 ARG CB . 50831 1 602 . 1 . 1 151 151 ARG N N 15 115.345 0.01 . . . . . . . 213 ARG N . 50831 1 603 . 1 . 1 152 152 PRO C C 13 174.448 0.00 . . . . . . . 214 PRO CO . 50831 1 604 . 1 . 1 152 152 PRO CA C 13 61.587 0.00 . . . . . . . 214 PRO CA . 50831 1 605 . 1 . 1 152 152 PRO CB C 13 35.706 0.02 . . . . . . . 214 PRO CB . 50831 1 606 . 1 . 1 153 153 ILE H H 1 8.322 0.01 . . . . . . . 215 ILE H . 50831 1 607 . 1 . 1 153 153 ILE C C 13 175.070 0.00 . . . . . . . 215 ILE CO . 50831 1 608 . 1 . 1 153 153 ILE CA C 13 61.171 0.13 . . . . . . . 215 ILE CA . 50831 1 609 . 1 . 1 153 153 ILE CB C 13 40.152 0.14 . . . . . . . 215 ILE CB . 50831 1 610 . 1 . 1 153 153 ILE N N 15 120.404 0.03 . . . . . . . 215 ILE N . 50831 1 611 . 1 . 1 154 154 VAL H H 1 7.746 0.01 . . . . . . . 216 VAL H . 50831 1 612 . 1 . 1 154 154 VAL C C 13 173.296 0.00 . . . . . . . 216 VAL CO . 50831 1 613 . 1 . 1 154 154 VAL CA C 13 60.743 0.10 . . . . . . . 216 VAL CA . 50831 1 614 . 1 . 1 154 154 VAL CB C 13 33.474 0.00 . . . . . . . 216 VAL CB . 50831 1 615 . 1 . 1 154 154 VAL N N 15 127.110 0.01 . . . . . . . 216 VAL N . 50831 1 616 . 1 . 1 155 155 SER H H 1 9.638 0.01 . . . . . . . 217 SER H . 50831 1 617 . 1 . 1 155 155 SER C C 13 173.655 0.00 . . . . . . . 217 SER CO . 50831 1 618 . 1 . 1 155 155 SER CA C 13 54.386 0.00 . . . . . . . 217 SER CA . 50831 1 619 . 1 . 1 155 155 SER CB C 13 67.013 0.00 . . . . . . . 217 SER CB . 50831 1 620 . 1 . 1 155 155 SER N N 15 122.552 0.01 . . . . . . . 217 SER N . 50831 1 621 . 1 . 1 156 156 VAL H H 1 9.098 0.00 . . . . . . . 218 VAL H . 50831 1 622 . 1 . 1 156 156 VAL C C 13 174.667 0.00 . . . . . . . 218 VAL CO . 50831 1 623 . 1 . 1 156 156 VAL CA C 13 60.635 0.00 . . . . . . . 218 VAL CA . 50831 1 624 . 1 . 1 156 156 VAL CB C 13 32.853 0.02 . . . . . . . 218 VAL CB . 50831 1 625 . 1 . 1 156 156 VAL N N 15 123.341 0.01 . . . . . . . 218 VAL N . 50831 1 626 . 1 . 1 157 157 SER H H 1 7.136 0.01 . . . . . . . 219 SER H . 50831 1 627 . 1 . 1 157 157 SER C C 13 171.970 0.00 . . . . . . . 219 SER CO . 50831 1 628 . 1 . 1 157 157 SER CA C 13 60.527 0.09 . . . . . . . 219 SER CA . 50831 1 629 . 1 . 1 157 157 SER CB C 13 65.223 0.00 . . . . . . . 219 SER CB . 50831 1 630 . 1 . 1 157 157 SER N N 15 123.363 0.06 . . . . . . . 219 SER N . 50831 1 631 . 1 . 1 158 158 PHE H H 1 9.348 0.00 . . . . . . . 220 PHE H . 50831 1 632 . 1 . 1 158 158 PHE C C 13 175.975 0.00 . . . . . . . 220 PHE CO . 50831 1 633 . 1 . 1 158 158 PHE CA C 13 58.908 0.08 . . . . . . . 220 PHE CA . 50831 1 634 . 1 . 1 158 158 PHE CB C 13 42.791 0.00 . . . . . . . 220 PHE CB . 50831 1 635 . 1 . 1 158 158 PHE N N 15 118.817 0.01 . . . . . . . 220 PHE N . 50831 1 636 . 1 . 1 159 159 PHE H H 1 9.429 0.01 . . . . . . . 221 PHE H . 50831 1 637 . 1 . 1 159 159 PHE C C 13 176.404 0.00 . . . . . . . 221 PHE CO . 50831 1 638 . 1 . 1 159 159 PHE CA C 13 58.978 0.00 . . . . . . . 221 PHE CA . 50831 1 639 . 1 . 1 159 159 PHE CB C 13 37.372 0.00 . . . . . . . 221 PHE CB . 50831 1 640 . 1 . 1 159 159 PHE N N 15 115.430 0.05 . . . . . . . 221 PHE N . 50831 1 641 . 1 . 1 160 160 SER H H 1 8.720 0.00 . . . . . . . 222 SER H . 50831 1 642 . 1 . 1 160 160 SER C C 13 171.821 0.00 . . . . . . . 222 SER CO . 50831 1 643 . 1 . 1 160 160 SER CA C 13 57.601 0.02 . . . . . . . 222 SER CA . 50831 1 644 . 1 . 1 160 160 SER CB C 13 64.438 0.06 . . . . . . . 222 SER CB . 50831 1 645 . 1 . 1 160 160 SER N N 15 114.592 0.01 . . . . . . . 222 SER N . 50831 1 646 . 1 . 1 161 161 ASP H H 1 8.428 0.01 . . . . . . . 223 ASP H . 50831 1 647 . 1 . 1 161 161 ASP C C 13 175.679 0.00 . . . . . . . 223 ASP CO . 50831 1 648 . 1 . 1 161 161 ASP CA C 13 53.355 0.03 . . . . . . . 223 ASP CA . 50831 1 649 . 1 . 1 161 161 ASP CB C 13 40.575 0.00 . . . . . . . 223 ASP CB . 50831 1 650 . 1 . 1 161 161 ASP N N 15 120.037 0.02 . . . . . . . 223 ASP N . 50831 1 651 . 1 . 1 162 162 SER H H 1 7.895 0.01 . . . . . . . 224 SER H . 50831 1 652 . 1 . 1 162 162 SER C C 13 174.932 0.00 . . . . . . . 224 SER CO . 50831 1 653 . 1 . 1 162 162 SER CA C 13 55.796 0.04 . . . . . . . 224 SER CA . 50831 1 654 . 1 . 1 162 162 SER CB C 13 62.831 0.00 . . . . . . . 224 SER CB . 50831 1 655 . 1 . 1 162 162 SER N N 15 114.464 0.01 . . . . . . . 224 SER N . 50831 1 656 . 1 . 1 163 163 ALA H H 1 9.203 0.00 . . . . . . . 225 ALA H . 50831 1 657 . 1 . 1 163 163 ALA C C 13 173.540 0.00 . . . . . . . 225 ALA CO . 50831 1 658 . 1 . 1 163 163 ALA CA C 13 51.231 0.06 . . . . . . . 225 ALA CA . 50831 1 659 . 1 . 1 163 163 ALA CB C 13 20.176 0.14 . . . . . . . 225 ALA CB . 50831 1 660 . 1 . 1 163 163 ALA N N 15 127.863 0.02 . . . . . . . 225 ALA N . 50831 1 661 . 1 . 1 164 164 LEU H H 1 9.039 0.01 . . . . . . . 226 LEU H . 50831 1 662 . 1 . 1 164 164 LEU CA C 13 53.363 0.00 . . . . . . . 226 LEU CA . 50831 1 663 . 1 . 1 164 164 LEU CB C 13 44.70 0.00 . . . . . . . 226 LEU CB . 50831 1 664 . 1 . 1 164 164 LEU N N 15 125.250 0.05 . . . . . . . 226 LEU N . 50831 1 665 . 1 . 1 166 166 PHE C C 13 176.921 0.00 . . . . . . . 228 PHE CO . 50831 1 666 . 1 . 1 166 166 PHE CA C 13 55.639 0.01 . . . . . . . 228 PHE CA . 50831 1 667 . 1 . 1 166 166 PHE CB C 13 40.814 0.01 . . . . . . . 228 PHE CB . 50831 1 668 . 1 . 1 167 167 GLY H H 1 8.794 0.01 . . . . . . . 229 GLY H . 50831 1 669 . 1 . 1 167 167 GLY C C 13 175.755 0.00 . . . . . . . 229 GLY CO . 50831 1 670 . 1 . 1 167 167 GLY CA C 13 46.664 0.01 . . . . . . . 229 GLY CA . 50831 1 671 . 1 . 1 167 167 GLY N N 15 112.342 0.02 . . . . . . . 229 GLY N . 50831 1 672 . 1 . 1 168 168 CYS H H 1 8.358 0.00 . . . . . . . 230 CYS H . 50831 1 673 . 1 . 1 168 168 CYS C C 13 175.563 0.00 . . . . . . . 230 CYS CO . 50831 1 674 . 1 . 1 168 168 CYS CA C 13 58.508 0.10 . . . . . . . 230 CYS CA . 50831 1 675 . 1 . 1 168 168 CYS CB C 13 28.613 0.00 . . . . . . . 230 CYS CB . 50831 1 676 . 1 . 1 168 168 CYS N N 15 116.186 0.01 . . . . . . . 230 CYS N . 50831 1 677 . 1 . 1 169 169 LYS H H 1 8.263 0.00 . . . . . . . 231 LYS H . 50831 1 678 . 1 . 1 169 169 LYS C C 13 178.835 0.00 . . . . . . . 231 LYS CO . 50831 1 679 . 1 . 1 169 169 LYS CA C 13 56.385 0.06 . . . . . . . 231 LYS CA . 50831 1 680 . 1 . 1 169 169 LYS CB C 13 32.772 0.00 . . . . . . . 231 LYS CB . 50831 1 681 . 1 . 1 169 169 LYS N N 15 126.840 0.05 . . . . . . . 231 LYS N . 50831 1 682 . 1 . 1 170 170 PHE H H 1 7.980 0.01 . . . . . . . 232 PHE H . 50831 1 683 . 1 . 1 170 170 PHE C C 13 175.127 0.00 . . . . . . . 232 PHE CO . 50831 1 684 . 1 . 1 170 170 PHE CA C 13 57.309 0.13 . . . . . . . 232 PHE CA . 50831 1 685 . 1 . 1 170 170 PHE CB C 13 41.463 0.31 . . . . . . . 232 PHE CB . 50831 1 686 . 1 . 1 170 170 PHE N N 15 120.077 0.06 . . . . . . . 232 PHE N . 50831 1 687 . 1 . 1 171 171 GLN H H 1 8.877 0.01 . . . . . . . 233 GLN H . 50831 1 688 . 1 . 1 171 171 GLN C C 13 172.830 0.00 . . . . . . . 233 GLN CO . 50831 1 689 . 1 . 1 171 171 GLN CA C 13 54.613 0.74 . . . . . . . 233 GLN CA . 50831 1 690 . 1 . 1 171 171 GLN CB C 13 31.144 1.10 . . . . . . . 233 GLN CB . 50831 1 691 . 1 . 1 171 171 GLN N N 15 115.084 0.07 . . . . . . . 233 GLN N . 50831 1 692 . 1 . 1 172 172 PHE H H 1 8.127 0.00 . . . . . . . 234 PHE H . 50831 1 693 . 1 . 1 172 172 PHE CA C 13 57.428 0.00 . . . . . . . 234 PHE CA . 50831 1 694 . 1 . 1 172 172 PHE CB C 13 41.699 0.00 . . . . . . . 234 PHE CB . 50831 1 695 . 1 . 1 172 172 PHE N N 15 116.589 0.04 . . . . . . . 234 PHE N . 50831 1 696 . 1 . 1 174 174 PRO C C 13 176.613 0.00 . . . . . . . 236 PRO CO . 50831 1 697 . 1 . 1 174 174 PRO CA C 13 62.719 0.00 . . . . . . . 236 PRO CA . 50831 1 698 . 1 . 1 174 174 PRO CB C 13 34.130 0.04 . . . . . . . 236 PRO CB . 50831 1 699 . 1 . 1 175 175 ILE H H 1 8.227 0.01 . . . . . . . 237 ILE H . 50831 1 700 . 1 . 1 175 175 ILE C C 13 176.055 0.00 . . . . . . . 237 ILE CO . 50831 1 701 . 1 . 1 175 175 ILE CA C 13 62.690 0.00 . . . . . . . 237 ILE CA . 50831 1 702 . 1 . 1 175 175 ILE CB C 13 36.919 0.00 . . . . . . . 237 ILE CB . 50831 1 703 . 1 . 1 175 175 ILE N N 15 118.921 0.01 . . . . . . . 237 ILE N . 50831 1 704 . 1 . 1 176 176 ARG H H 1 8.320 0.00 . . . . . . . 238 ARG H . 50831 1 705 . 1 . 1 176 176 ARG C C 13 173.744 0.00 . . . . . . . 238 ARG CO . 50831 1 706 . 1 . 1 176 176 ARG CA C 13 54.433 0.07 . . . . . . . 238 ARG CA . 50831 1 707 . 1 . 1 176 176 ARG CB C 13 32.822 0.00 . . . . . . . 238 ARG CB . 50831 1 708 . 1 . 1 176 176 ARG N N 15 126.568 0.01 . . . . . . . 238 ARG N . 50831 1 709 . 1 . 1 177 177 VAL H H 1 8.369 0.00 . . . . . . . 239 VAL H . 50831 1 710 . 1 . 1 177 177 VAL C C 13 175.619 0.00 . . . . . . . 239 VAL CO . 50831 1 711 . 1 . 1 177 177 VAL CA C 13 59.859 0.07 . . . . . . . 239 VAL CA . 50831 1 712 . 1 . 1 177 177 VAL CB C 13 32.439 0.01 . . . . . . . 239 VAL CB . 50831 1 713 . 1 . 1 177 177 VAL N N 15 122.073 0.04 . . . . . . . 239 VAL N . 50831 1 714 . 1 . 1 178 178 SER H H 1 8.115 0.01 . . . . . . . 240 SER H . 50831 1 715 . 1 . 1 178 178 SER C C 13 173.495 0.00 . . . . . . . 240 SER CO . 50831 1 716 . 1 . 1 178 178 SER CA C 13 58.358 0.01 . . . . . . . 240 SER CA . 50831 1 717 . 1 . 1 178 178 SER CB C 13 63.333 0.04 . . . . . . . 240 SER CB . 50831 1 718 . 1 . 1 178 178 SER N N 15 123.421 0.02 . . . . . . . 240 SER N . 50831 1 719 . 1 . 1 179 179 GLU H H 1 8.319 0.01 . . . . . . . 241 GLU H . 50831 1 720 . 1 . 1 179 179 GLU CA C 13 54.153 0.00 . . . . . . . 241 GLU CA . 50831 1 721 . 1 . 1 179 179 GLU CB C 13 28.649 0.00 . . . . . . . 241 GLU CB . 50831 1 722 . 1 . 1 179 179 GLU N N 15 120.715 0.02 . . . . . . . 241 GLU N . 50831 1 723 . 1 . 1 185 185 PRO C C 13 176.923 0.00 . . . . . . . 247 PRO CO . 50831 1 724 . 1 . 1 185 185 PRO CA C 13 63.204 0.02 . . . . . . . 247 PRO CA . 50831 1 725 . 1 . 1 185 185 PRO CB C 13 30.987 0.00 . . . . . . . 247 PRO CB . 50831 1 726 . 1 . 1 186 186 VAL H H 1 8.399 0.00 . . . . . . . 248 VAL H . 50831 1 727 . 1 . 1 186 186 VAL C C 13 176.358 0.00 . . . . . . . 248 VAL CO . 50831 1 728 . 1 . 1 186 186 VAL CA C 13 59.169 0.03 . . . . . . . 248 VAL CA . 50831 1 729 . 1 . 1 186 186 VAL CB C 13 32.075 0.28 . . . . . . . 248 VAL CB . 50831 1 730 . 1 . 1 186 186 VAL N N 15 120.976 0.02 . . . . . . . 248 VAL N . 50831 1 731 . 1 . 1 187 187 ARG H H 1 8.451 0.00 . . . . . . . 249 ARG H . 50831 1 732 . 1 . 1 187 187 ARG C C 13 176.042 0.00 . . . . . . . 249 ARG CO . 50831 1 733 . 1 . 1 187 187 ARG CA C 13 55.007 0.00 . . . . . . . 249 ARG CA . 50831 1 734 . 1 . 1 187 187 ARG CB C 13 30.486 0.04 . . . . . . . 249 ARG CB . 50831 1 735 . 1 . 1 187 187 ARG N N 15 128.064 0.02 . . . . . . . 249 ARG N . 50831 1 736 . 1 . 1 188 188 ARG H H 1 8.541 0.01 . . . . . . . 250 ARG H . 50831 1 737 . 1 . 1 188 188 ARG C C 13 176.980 0.00 . . . . . . . 250 ARG CO . 50831 1 738 . 1 . 1 188 188 ARG CA C 13 57.447 0.01 . . . . . . . 250 ARG CA . 50831 1 739 . 1 . 1 188 188 ARG CB C 13 29.462 0.11 . . . . . . . 250 ARG CB . 50831 1 740 . 1 . 1 188 188 ARG N N 15 123.882 0.04 . . . . . . . 250 ARG N . 50831 1 741 . 1 . 1 189 189 GLY H H 1 9.121 0.00 . . . . . . . 251 GLY H . 50831 1 742 . 1 . 1 189 189 GLY C C 13 173.170 0.00 . . . . . . . 251 GLY CO . 50831 1 743 . 1 . 1 189 189 GLY CA C 13 45.926 0.03 . . . . . . . 251 GLY CA . 50831 1 744 . 1 . 1 189 189 GLY N N 15 117.768 0.03 . . . . . . . 251 GLY N . 50831 1 745 . 1 . 1 190 190 SER H H 1 8.154 0.01 . . . . . . . 252 SER H . 50831 1 746 . 1 . 1 190 190 SER C C 13 173.541 0.00 . . . . . . . 252 SER CO . 50831 1 747 . 1 . 1 190 190 SER CA C 13 58.409 0.15 . . . . . . . 252 SER CA . 50831 1 748 . 1 . 1 190 190 SER CB C 13 64.454 0.27 . . . . . . . 252 SER CB . 50831 1 749 . 1 . 1 190 190 SER N N 15 115.383 0.02 . . . . . . . 252 SER N . 50831 1 750 . 1 . 1 191 191 VAL H H 1 9.053 0.01 . . . . . . . 253 VAL H . 50831 1 751 . 1 . 1 191 191 VAL C C 13 174.643 0.00 . . . . . . . 253 VAL CO . 50831 1 752 . 1 . 1 191 191 VAL CA C 13 59.733 0.01 . . . . . . . 253 VAL CA . 50831 1 753 . 1 . 1 191 191 VAL CB C 13 32.844 0.04 . . . . . . . 253 VAL CB . 50831 1 754 . 1 . 1 191 191 VAL N N 15 125.173 0.04 . . . . . . . 253 VAL N . 50831 1 755 . 1 . 1 192 192 THR H H 1 9.249 0.00 . . . . . . . 254 THR H . 50831 1 756 . 1 . 1 192 192 THR C C 13 173.005 0.00 . . . . . . . 254 THR CO . 50831 1 757 . 1 . 1 192 192 THR CA C 13 62.217 0.02 . . . . . . . 254 THR CA . 50831 1 758 . 1 . 1 192 192 THR CB C 13 69.479 0.04 . . . . . . . 254 THR CB . 50831 1 759 . 1 . 1 192 192 THR N N 15 124.471 0.02 . . . . . . . 254 THR N . 50831 1 760 . 1 . 1 193 193 VAL H H 1 9.330 0.00 . . . . . . . 255 VAL H . 50831 1 761 . 1 . 1 193 193 VAL C C 13 175.486 0.00 . . . . . . . 255 VAL CO . 50831 1 762 . 1 . 1 193 193 VAL CA C 13 60.960 0.03 . . . . . . . 255 VAL CA . 50831 1 763 . 1 . 1 193 193 VAL CB C 13 32.561 0.01 . . . . . . . 255 VAL CB . 50831 1 764 . 1 . 1 193 193 VAL N N 15 128.948 0.03 . . . . . . . 255 VAL N . 50831 1 765 . 1 . 1 194 194 LEU H H 1 9.161 0.00 . . . . . . . 256 LEU H . 50831 1 766 . 1 . 1 194 194 LEU C C 13 175.345 0.00 . . . . . . . 256 LEU CO . 50831 1 767 . 1 . 1 194 194 LEU CA C 13 53.181 0.23 . . . . . . . 256 LEU CA . 50831 1 768 . 1 . 1 194 194 LEU CB C 13 43.654 0.00 . . . . . . . 256 LEU CB . 50831 1 769 . 1 . 1 194 194 LEU N N 15 127.055 0.02 . . . . . . . 256 LEU N . 50831 1 770 . 1 . 1 195 195 SER H H 1 9.318 0.01 . . . . . . . 257 SER H . 50831 1 771 . 1 . 1 195 195 SER C C 13 172.873 0.00 . . . . . . . 257 SER CO . 50831 1 772 . 1 . 1 195 195 SER CA C 13 56.641 0.03 . . . . . . . 257 SER CA . 50831 1 773 . 1 . 1 195 195 SER CB C 13 65.652 0.17 . . . . . . . 257 SER CB . 50831 1 774 . 1 . 1 195 195 SER N N 15 117.771 0.03 . . . . . . . 257 SER N . 50831 1 775 . 1 . 1 196 196 GLY H H 1 8.986 0.00 . . . . . . . 258 GLY H . 50831 1 776 . 1 . 1 196 196 GLY C C 13 175.327 0.00 . . . . . . . 258 GLY CO . 50831 1 777 . 1 . 1 196 196 GLY CA C 13 46.053 0.05 . . . . . . . 258 GLY CA . 50831 1 778 . 1 . 1 196 196 GLY N N 15 107.413 0.01 . . . . . . . 258 GLY N . 50831 1 779 . 1 . 1 197 197 TYR H H 1 8.910 0.02 . . . . . . . 259 TYR H . 50831 1 780 . 1 . 1 197 197 TYR CA C 13 61.761 0.00 . . . . . . . 259 TYR CA . 50831 1 781 . 1 . 1 197 197 TYR CB C 13 38.491 0.00 . . . . . . . 259 TYR CB . 50831 1 782 . 1 . 1 197 197 TYR N N 15 128.076 0.02 . . . . . . . 259 TYR N . 50831 1 783 . 1 . 1 200 200 ASP C C 13 177.524 0.00 . . . . . . . 262 ASP CO . 50831 1 784 . 1 . 1 200 200 ASP CA C 13 55.370 0.00 . . . . . . . 262 ASP CA . 50831 1 785 . 1 . 1 200 200 ASP CB C 13 41.617 0.08 . . . . . . . 262 ASP CB . 50831 1 786 . 1 . 1 201 201 GLU H H 1 7.871 0.00 . . . . . . . 263 GLU H . 50831 1 787 . 1 . 1 201 201 GLU C C 13 173.379 0.00 . . . . . . . 263 GLU CO . 50831 1 788 . 1 . 1 201 201 GLU CA C 13 55.263 0.01 . . . . . . . 263 GLU CA . 50831 1 789 . 1 . 1 201 201 GLU CB C 13 28.708 0.06 . . . . . . . 263 GLU CB . 50831 1 790 . 1 . 1 201 201 GLU N N 15 116.690 0.01 . . . . . . . 263 GLU N . 50831 1 791 . 1 . 1 202 202 ILE H H 1 7.097 0.00 . . . . . . . 264 ILE H . 50831 1 792 . 1 . 1 202 202 ILE C C 13 171.998 0.00 . . . . . . . 264 ILE CO . 50831 1 793 . 1 . 1 202 202 ILE CA C 13 58.660 0.01 . . . . . . . 264 ILE CA . 50831 1 794 . 1 . 1 202 202 ILE CB C 13 40.467 0.05 . . . . . . . 264 ILE CB . 50831 1 795 . 1 . 1 202 202 ILE N N 15 117.715 0.03 . . . . . . . 264 ILE N . 50831 1 796 . 1 . 1 203 203 THR H H 1 7.377 0.00 . . . . . . . 265 THR H . 50831 1 797 . 1 . 1 203 203 THR CA C 13 59.893 0.00 . . . . . . . 265 THR CA . 50831 1 798 . 1 . 1 203 203 THR CB C 13 70.932 0.00 . . . . . . . 265 THR CB . 50831 1 799 . 1 . 1 203 203 THR N N 15 115.240 0.01 . . . . . . . 265 THR N . 50831 1 800 . 1 . 1 208 208 PRO C C 13 179.600 0.00 . . . . . . . 270 PRO CO . 50831 1 801 . 1 . 1 208 208 PRO CA C 13 64.049 0.00 . . . . . . . 270 PRO CA . 50831 1 802 . 1 . 1 208 208 PRO CB C 13 30.775 0.00 . . . . . . . 270 PRO CB . 50831 1 803 . 1 . 1 209 209 GLN H H 1 9.036 0.01 . . . . . . . 271 GLN H . 50831 1 804 . 1 . 1 209 209 GLN C C 13 175.981 0.00 . . . . . . . 271 GLN CO . 50831 1 805 . 1 . 1 209 209 GLN CA C 13 56.317 0.01 . . . . . . . 271 GLN CA . 50831 1 806 . 1 . 1 209 209 GLN CB C 13 26.690 0.05 . . . . . . . 271 GLN CB . 50831 1 807 . 1 . 1 209 209 GLN N N 15 113.873 0.04 . . . . . . . 271 GLN N . 50831 1 808 . 1 . 1 210 210 ASP H H 1 7.643 0.00 . . . . . . . 272 ASP H . 50831 1 809 . 1 . 1 210 210 ASP C C 13 177.392 0.00 . . . . . . . 272 ASP CO . 50831 1 810 . 1 . 1 210 210 ASP CA C 13 54.124 0.22 . . . . . . . 272 ASP CA . 50831 1 811 . 1 . 1 210 210 ASP CB C 13 40.051 0.29 . . . . . . . 272 ASP CB . 50831 1 812 . 1 . 1 210 210 ASP N N 15 118.853 0.06 . . . . . . . 272 ASP N . 50831 1 813 . 1 . 1 211 211 ILE H H 1 7.494 0.00 . . . . . . . 273 ILE H . 50831 1 814 . 1 . 1 211 211 ILE C C 13 175.411 0.00 . . . . . . . 273 ILE CO . 50831 1 815 . 1 . 1 211 211 ILE CA C 13 58.428 0.25 . . . . . . . 273 ILE CA . 50831 1 816 . 1 . 1 211 211 ILE CB C 13 33.410 0.31 . . . . . . . 273 ILE CB . 50831 1 817 . 1 . 1 211 211 ILE N N 15 127.543 0.05 . . . . . . . 273 ILE N . 50831 1 818 . 1 . 1 212 212 LYS H H 1 8.169 0.01 . . . . . . . 274 LYS H . 50831 1 819 . 1 . 1 212 212 LYS C C 13 175.821 0.00 . . . . . . . 274 LYS CO . 50831 1 820 . 1 . 1 212 212 LYS CA C 13 56.377 0.02 . . . . . . . 274 LYS CA . 50831 1 821 . 1 . 1 212 212 LYS CB C 13 32.507 0.03 . . . . . . . 274 LYS CB . 50831 1 822 . 1 . 1 212 212 LYS N N 15 126.492 0.05 . . . . . . . 274 LYS N . 50831 1 823 . 1 . 1 213 213 GLU H H 1 7.682 0.01 . . . . . . . 275 GLU H . 50831 1 824 . 1 . 1 213 213 GLU C C 13 172.802 0.00 . . . . . . . 275 GLU CO . 50831 1 825 . 1 . 1 213 213 GLU CA C 13 53.252 0.01 . . . . . . . 275 GLU CA . 50831 1 826 . 1 . 1 213 213 GLU CB C 13 32.356 0.03 . . . . . . . 275 GLU CB . 50831 1 827 . 1 . 1 213 213 GLU N N 15 117.317 0.14 . . . . . . . 275 GLU N . 50831 1 828 . 1 . 1 214 214 ARG H H 1 8.315 0.00 . . . . . . . 276 ARG H . 50831 1 829 . 1 . 1 214 214 ARG C C 13 176.769 0.00 . . . . . . . 276 ARG CO . 50831 1 830 . 1 . 1 214 214 ARG CA C 13 56.972 0.04 . . . . . . . 276 ARG CA . 50831 1 831 . 1 . 1 214 214 ARG CB C 13 28.699 0.00 . . . . . . . 276 ARG CB . 50831 1 832 . 1 . 1 214 214 ARG N N 15 119.759 0.02 . . . . . . . 276 ARG N . 50831 1 833 . 1 . 1 215 215 ARG H H 1 8.517 0.01 . . . . . . . 277 ARG H . 50831 1 834 . 1 . 1 215 215 ARG C C 13 172.644 0.00 . . . . . . . 277 ARG CO . 50831 1 835 . 1 . 1 215 215 ARG CA C 13 54.815 0.00 . . . . . . . 277 ARG CA . 50831 1 836 . 1 . 1 215 215 ARG CB C 13 28.861 0.00 . . . . . . . 277 ARG CB . 50831 1 837 . 1 . 1 215 215 ARG N N 15 129.209 0.05 . . . . . . . 277 ARG N . 50831 1 838 . 1 . 1 216 216 ALA H H 1 8.096 0.01 . . . . . . . 278 ALA H . 50831 1 839 . 1 . 1 216 216 ALA CA C 13 49.966 0.00 . . . . . . . 278 ALA CA . 50831 1 840 . 1 . 1 216 216 ALA CB C 13 22.726 0.00 . . . . . . . 278 ALA CB . 50831 1 841 . 1 . 1 216 216 ALA N N 15 125.200 0.04 . . . . . . . 278 ALA N . 50831 1 842 . 1 . 1 217 217 VAL C C 13 173.918 0.00 . . . . . . . 279 VAL CO . 50831 1 843 . 1 . 1 217 217 VAL CA C 13 58.336 0.00 . . . . . . . 279 VAL CA . 50831 1 844 . 1 . 1 218 218 ILE H H 1 9.304 0.01 . . . . . . . 280 ILE H . 50831 1 845 . 1 . 1 218 218 ILE C C 13 174.162 0.00 . . . . . . . 280 ILE CO . 50831 1 846 . 1 . 1 218 218 ILE CA C 13 60.273 0.04 . . . . . . . 280 ILE CA . 50831 1 847 . 1 . 1 218 218 ILE CB C 13 38.880 0.01 . . . . . . . 280 ILE CB . 50831 1 848 . 1 . 1 218 218 ILE N N 15 126.747 0.03 . . . . . . . 280 ILE N . 50831 1 849 . 1 . 1 219 219 ILE H H 1 9.553 0.01 . . . . . . . 281 ILE H . 50831 1 850 . 1 . 1 219 219 ILE C C 13 175.769 0.00 . . . . . . . 281 ILE CO . 50831 1 851 . 1 . 1 219 219 ILE CA C 13 58.586 0.02 . . . . . . . 281 ILE CA . 50831 1 852 . 1 . 1 219 219 ILE CB C 13 36.313 0.00 . . . . . . . 281 ILE CB . 50831 1 853 . 1 . 1 219 219 ILE N N 15 128.942 0.02 . . . . . . . 281 ILE N . 50831 1 854 . 1 . 1 220 220 LEU H H 1 9.799 0.00 . . . . . . . 282 LEU H . 50831 1 855 . 1 . 1 220 220 LEU C C 13 174.321 0.00 . . . . . . . 282 LEU CO . 50831 1 856 . 1 . 1 220 220 LEU CA C 13 52.863 0.02 . . . . . . . 282 LEU CA . 50831 1 857 . 1 . 1 220 220 LEU CB C 13 41.038 0.09 . . . . . . . 282 LEU CB . 50831 1 858 . 1 . 1 220 220 LEU N N 15 131.543 0.02 . . . . . . . 282 LEU N . 50831 1 859 . 1 . 1 221 221 ARG H H 1 8.409 0.01 . . . . . . . 283 ARG H . 50831 1 860 . 1 . 1 221 221 ARG C C 13 174.296 0.00 . . . . . . . 283 ARG CO . 50831 1 861 . 1 . 1 221 221 ARG CA C 13 53.210 0.03 . . . . . . . 283 ARG CA . 50831 1 862 . 1 . 1 221 221 ARG CB C 13 37.152 0.04 . . . . . . . 283 ARG CB . 50831 1 863 . 1 . 1 221 221 ARG N N 15 118.198 0.04 . . . . . . . 283 ARG N . 50831 1 864 . 1 . 1 222 222 LYS H H 1 9.122 0.01 . . . . . . . 284 LYS H . 50831 1 865 . 1 . 1 222 222 LYS C C 13 177.585 0.00 . . . . . . . 284 LYS CO . 50831 1 866 . 1 . 1 222 222 LYS CA C 13 53.727 0.00 . . . . . . . 284 LYS CA . 50831 1 867 . 1 . 1 222 222 LYS CB C 13 34.006 0.04 . . . . . . . 284 LYS CB . 50831 1 868 . 1 . 1 222 222 LYS N N 15 124.712 0.03 . . . . . . . 284 LYS N . 50831 1 869 . 1 . 1 223 223 THR H H 1 9.534 0.00 . . . . . . . 285 THR H . 50831 1 870 . 1 . 1 223 223 THR C C 13 174.990 0.00 . . . . . . . 285 THR CO . 50831 1 871 . 1 . 1 223 223 THR CA C 13 60.147 0.01 . . . . . . . 285 THR CA . 50831 1 872 . 1 . 1 223 223 THR CB C 13 68.606 0.01 . . . . . . . 285 THR CB . 50831 1 873 . 1 . 1 223 223 THR N N 15 119.898 0.02 . . . . . . . 285 THR N . 50831 1 874 . 1 . 1 224 224 ARG H H 1 8.253 0.00 . . . . . . . 286 ARG H . 50831 1 875 . 1 . 1 224 224 ARG C C 13 178.944 0.00 . . . . . . . 286 ARG CO . 50831 1 876 . 1 . 1 224 224 ARG CA C 13 55.488 0.01 . . . . . . . 286 ARG CA . 50831 1 877 . 1 . 1 224 224 ARG CB C 13 30.923 0.03 . . . . . . . 286 ARG CB . 50831 1 878 . 1 . 1 224 224 ARG N N 15 121.368 0.02 . . . . . . . 286 ARG N . 50831 1 879 . 1 . 1 225 225 LEU H H 1 8.810 0.00 . . . . . . . 287 LEU H . 50831 1 880 . 1 . 1 225 225 LEU CA C 13 57.338 0.00 . . . . . . . 287 LEU CA . 50831 1 881 . 1 . 1 225 225 LEU CB C 13 40.687 0.00 . . . . . . . 287 LEU CB . 50831 1 882 . 1 . 1 225 225 LEU N N 15 126.823 0.01 . . . . . . . 287 LEU N . 50831 1 883 . 1 . 1 226 226 ASP C C 13 175.700 0.00 . . . . . . . 288 ASP CO . 50831 1 884 . 1 . 1 226 226 ASP CA C 13 51.831 0.02 . . . . . . . 288 ASP CA . 50831 1 885 . 1 . 1 226 226 ASP CB C 13 38.788 0.03 . . . . . . . 288 ASP CB . 50831 1 886 . 1 . 1 227 227 ALA H H 1 7.072 0.00 . . . . . . . 289 ALA H . 50831 1 887 . 1 . 1 227 227 ALA CA C 13 50.124 0.00 . . . . . . . 289 ALA CA . 50831 1 888 . 1 . 1 227 227 ALA CB C 13 18.360 0.00 . . . . . . . 289 ALA CB . 50831 1 889 . 1 . 1 227 227 ALA N N 15 123.266 0.01 . . . . . . . 289 ALA N . 50831 1 890 . 1 . 1 228 228 PRO C C 13 175.334 0.00 . . . . . . . 290 PRO CO . 50831 1 891 . 1 . 1 228 228 PRO CA C 13 62.210 0.01 . . . . . . . 290 PRO CA . 50831 1 892 . 1 . 1 228 228 PRO CB C 13 31.086 0.00 . . . . . . . 290 PRO CB . 50831 1 893 . 1 . 1 229 229 ARG H H 1 8.128 0.00 . . . . . . . 291 ARG H . 50831 1 894 . 1 . 1 229 229 ARG C C 13 176.956 0.00 . . . . . . . 291 ARG CO . 50831 1 895 . 1 . 1 229 229 ARG CA C 13 53.356 0.01 . . . . . . . 291 ARG CA . 50831 1 896 . 1 . 1 229 229 ARG CB C 13 32.276 0.12 . . . . . . . 291 ARG CB . 50831 1 897 . 1 . 1 229 229 ARG N N 15 119.879 0.01 . . . . . . . 291 ARG N . 50831 1 898 . 1 . 1 230 230 LEU H H 1 7.858 0.00 . . . . . . . 292 LEU H . 50831 1 899 . 1 . 1 230 230 LEU CA C 13 56.516 0.00 . . . . . . . 292 LEU CA . 50831 1 900 . 1 . 1 230 230 LEU CB C 13 42.727 0.00 . . . . . . . 292 LEU CB . 50831 1 901 . 1 . 1 230 230 LEU N N 15 127.799 0.02 . . . . . . . 292 LEU N . 50831 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50831 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name m6A_Alkbh5_StateB _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' . . . 50831 2 2 '3D HNCO' . . . 50831 2 3 '3D HNCA' . . . 50831 2 5 '3D HN(CO)CA' . . . 50831 2 6 '3D HN(COCA)CB' . . . 50831 2 7 '3D HNCACB' . . . 50831 2 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 . . 50831 2 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 13 176.719 0.00 . . . . . . . 66 PRO CO . 50831 2 2 . 1 . 1 4 4 PRO CA C 13 62.733 0.00 . . . . . . . 66 PRO CA . 50831 2 3 . 1 . 1 4 4 PRO CB C 13 31.107 0.02 . . . . . . . 66 PRO CB . 50831 2 4 . 1 . 1 5 5 GLU H H 1 8.430 0.00 . . . . . . . 67 GLU H . 50831 2 5 . 1 . 1 5 5 GLU C C 13 176.421 0.00 . . . . . . . 67 GLU CO . 50831 2 6 . 1 . 1 5 5 GLU CA C 13 55.888 0.01 . . . . . . . 67 GLU CA . 50831 2 7 . 1 . 1 5 5 GLU CB C 13 29.095 0.01 . . . . . . . 67 GLU CB . 50831 2 8 . 1 . 1 5 5 GLU N N 15 121.859 0.01 . . . . . . . 67 GLU N . 50831 2 9 . 1 . 1 6 6 ARG H H 1 8.261 0.00 . . . . . . . 68 ARG H . 50831 2 10 . 1 . 1 6 6 ARG C C 13 176.188 0.00 . . . . . . . 68 ARG CO . 50831 2 11 . 1 . 1 6 6 ARG CA C 13 55.425 0.16 . . . . . . . 68 ARG CA . 50831 2 12 . 1 . 1 6 6 ARG CB C 13 30.351 0.28 . . . . . . . 68 ARG CB . 50831 2 13 . 1 . 1 6 6 ARG N N 15 122.468 0.01 . . . . . . . 68 ARG N . 50831 2 14 . 1 . 1 7 7 SER H H 1 8.458 0.00 . . . . . . . 69 SER H . 50831 2 15 . 1 . 1 7 7 SER C C 13 174.566 0.00 . . . . . . . 69 SER CO . 50831 2 16 . 1 . 1 7 7 SER CA C 13 57.845 0.07 . . . . . . . 69 SER CA . 50831 2 17 . 1 . 1 7 7 SER CB C 13 63.408 0.09 . . . . . . . 69 SER CB . 50831 2 18 . 1 . 1 7 7 SER N N 15 118.243 0.03 . . . . . . . 69 SER N . 50831 2 19 . 1 . 1 8 8 ASP H H 1 8.387 0.00 . . . . . . . 70 ASP H . 50831 2 20 . 1 . 1 8 8 ASP C C 13 176.879 0.00 . . . . . . . 70 ASP CO . 50831 2 21 . 1 . 1 8 8 ASP CA C 13 54.893 0.01 . . . . . . . 70 ASP CA . 50831 2 22 . 1 . 1 8 8 ASP CB C 13 39.684 0.02 . . . . . . . 70 ASP CB . 50831 2 23 . 1 . 1 8 8 ASP N N 15 122.699 0.01 . . . . . . . 70 ASP N . 50831 2 24 . 1 . 1 9 9 TYR H H 1 8.049 0.00 . . . . . . . 71 TYR H . 50831 2 25 . 1 . 1 9 9 TYR C C 13 177.154 0.00 . . . . . . . 71 TYR CO . 50831 2 26 . 1 . 1 9 9 TYR CA C 13 59.844 0.01 . . . . . . . 71 TYR CA . 50831 2 27 . 1 . 1 9 9 TYR CB C 13 37.582 0.01 . . . . . . . 71 TYR CB . 50831 2 28 . 1 . 1 9 9 TYR N N 15 121.019 0.01 . . . . . . . 71 TYR N . 50831 2 29 . 1 . 1 10 10 GLU H H 1 8.086 0.01 . . . . . . . 72 GLU H . 50831 2 30 . 1 . 1 10 10 GLU C C 13 178.327 0.00 . . . . . . . 72 GLU CO . 50831 2 31 . 1 . 1 10 10 GLU CA C 13 57.898 0.01 . . . . . . . 72 GLU CA . 50831 2 32 . 1 . 1 10 10 GLU CB C 13 28.306 0.03 . . . . . . . 72 GLU CB . 50831 2 33 . 1 . 1 10 10 GLU N N 15 120.829 0.03 . . . . . . . 72 GLU N . 50831 2 34 . 1 . 1 11 11 GLU H H 1 8.176 0.00 . . . . . . . 73 GLU H . 50831 2 35 . 1 . 1 11 11 GLU C C 13 178.340 0.00 . . . . . . . 73 GLU CO . 50831 2 36 . 1 . 1 11 11 GLU CA C 13 58.065 0.02 . . . . . . . 73 GLU CA . 50831 2 37 . 1 . 1 11 11 GLU CB C 13 27.973 0.05 . . . . . . . 73 GLU CB . 50831 2 38 . 1 . 1 11 11 GLU N N 15 120.971 0.04 . . . . . . . 73 GLU N . 50831 2 39 . 1 . 1 12 12 GLN H H 1 8.115 0.00 . . . . . . . 74 GLN H . 50831 2 40 . 1 . 1 12 12 GLN C C 13 178.462 0.00 . . . . . . . 74 GLN CO . 50831 2 41 . 1 . 1 12 12 GLN CA C 13 57.809 0.04 . . . . . . . 74 GLN CA . 50831 2 42 . 1 . 1 12 12 GLN CB C 13 27.546 0.08 . . . . . . . 74 GLN CB . 50831 2 43 . 1 . 1 12 12 GLN N N 15 119.895 0.02 . . . . . . . 74 GLN N . 50831 2 44 . 1 . 1 13 13 GLN H H 1 7.965 0.01 . . . . . . . 75 GLN H . 50831 2 45 . 1 . 1 13 13 GLN C C 13 178.099 0.00 . . . . . . . 75 GLN CO . 50831 2 46 . 1 . 1 13 13 GLN CA C 13 57.778 0.21 . . . . . . . 75 GLN CA . 50831 2 47 . 1 . 1 13 13 GLN CB C 13 27.468 0.09 . . . . . . . 75 GLN CB . 50831 2 48 . 1 . 1 13 13 GLN N N 15 120.349 0.25 . . . . . . . 75 GLN N . 50831 2 49 . 1 . 1 14 14 LEU H H 1 7.874 0.01 . . . . . . . 76 LEU H . 50831 2 50 . 1 . 1 14 14 LEU C C 13 179.556 0.00 . . . . . . . 76 LEU CO . 50831 2 51 . 1 . 1 14 14 LEU CA C 13 57.161 0.04 . . . . . . . 76 LEU CA . 50831 2 52 . 1 . 1 14 14 LEU CB C 13 40.542 0.03 . . . . . . . 76 LEU CB . 50831 2 53 . 1 . 1 14 14 LEU N N 15 121.545 0.03 . . . . . . . 76 LEU N . 50831 2 54 . 1 . 1 15 15 GLN H H 1 7.953 0.00 . . . . . . . 77 GLN H . 50831 2 55 . 1 . 1 15 15 GLN C C 13 178.639 0.00 . . . . . . . 77 GLN CO . 50831 2 56 . 1 . 1 15 15 GLN CA C 13 57.976 0.00 . . . . . . . 77 GLN CA . 50831 2 57 . 1 . 1 15 15 GLN CB C 13 27.322 0.04 . . . . . . . 77 GLN CB . 50831 2 58 . 1 . 1 15 15 GLN N N 15 119.762 0.02 . . . . . . . 77 GLN N . 50831 2 59 . 1 . 1 16 16 LYS H H 1 7.852 0.00 . . . . . . . 78 LYS H . 50831 2 60 . 1 . 1 16 16 LYS C C 13 178.541 0.00 . . . . . . . 78 LYS CO . 50831 2 61 . 1 . 1 16 16 LYS CA C 13 59.151 0.01 . . . . . . . 78 LYS CA . 50831 2 62 . 1 . 1 16 16 LYS CB C 13 31.320 0.09 . . . . . . . 78 LYS CB . 50831 2 63 . 1 . 1 16 16 LYS N N 15 121.645 0.02 . . . . . . . 78 LYS N . 50831 2 64 . 1 . 1 17 17 GLU H H 1 7.984 0.00 . . . . . . . 79 GLU H . 50831 2 65 . 1 . 1 17 17 GLU C C 13 179.215 0.00 . . . . . . . 79 GLU CO . 50831 2 66 . 1 . 1 17 17 GLU CA C 13 58.416 0.01 . . . . . . . 79 GLU CA . 50831 2 67 . 1 . 1 17 17 GLU CB C 13 27.792 0.07 . . . . . . . 79 GLU CB . 50831 2 68 . 1 . 1 17 17 GLU N N 15 119.571 0.02 . . . . . . . 79 GLU N . 50831 2 69 . 1 . 1 18 18 GLU H H 1 7.946 0.00 . . . . . . . 80 GLU H . 50831 2 70 . 1 . 1 18 18 GLU C C 13 178.634 0.00 . . . . . . . 80 GLU CO . 50831 2 71 . 1 . 1 18 18 GLU CA C 13 58.786 0.49 . . . . . . . 80 GLU CA . 50831 2 72 . 1 . 1 18 18 GLU CB C 13 27.890 0.00 . . . . . . . 80 GLU CB . 50831 2 73 . 1 . 1 18 18 GLU N N 15 120.574 0.01 . . . . . . . 80 GLU N . 50831 2 74 . 1 . 1 19 19 GLU H H 1 8.063 0.00 . . . . . . . 81 GLU H . 50831 2 75 . 1 . 1 19 19 GLU CA C 13 57.499 0.00 . . . . . . . 81 GLU CA . 50831 2 76 . 1 . 1 19 19 GLU CB C 13 28.280 0.00 . . . . . . . 81 GLU CB . 50831 2 77 . 1 . 1 19 19 GLU N N 15 121.192 0.01 . . . . . . . 81 GLU N . 50831 2 78 . 1 . 1 20 20 ALA C C 13 179.008 0.00 . . . . . . . 82 ALA CO . 50831 2 79 . 1 . 1 20 20 ALA CA C 13 53.252 0.05 . . . . . . . 82 ALA CA . 50831 2 80 . 1 . 1 20 20 ALA CB C 13 17.546 0.01 . . . . . . . 82 ALA CB . 50831 2 81 . 1 . 1 21 21 ARG H H 1 7.723 0.00 . . . . . . . 83 ARG H . 50831 2 82 . 1 . 1 21 21 ARG C C 13 179.527 0.00 . . . . . . . 83 ARG CO . 50831 2 83 . 1 . 1 21 21 ARG CA C 13 58.090 1.25 . . . . . . . 83 ARG CA . 50831 2 84 . 1 . 1 21 21 ARG CB C 13 29.210 0.21 . . . . . . . 83 ARG CB . 50831 2 85 . 1 . 1 21 21 ARG N N 15 118.485 0.03 . . . . . . . 83 ARG N . 50831 2 86 . 1 . 1 22 22 LYS H H 1 7.367 0.00 . . . . . . . 84 LYS H . 50831 2 87 . 1 . 1 22 22 LYS CA C 13 59.107 0.00 . . . . . . . 84 LYS CA . 50831 2 88 . 1 . 1 22 22 LYS CB C 13 29.668 0.00 . . . . . . . 84 LYS CB . 50831 2 89 . 1 . 1 22 22 LYS N N 15 120.709 0.02 . . . . . . . 84 LYS N . 50831 2 90 . 1 . 1 23 23 VAL C C 13 177.767 0.00 . . . . . . . 85 VAL CO . 50831 2 91 . 1 . 1 23 23 VAL CA C 13 66.592 0.00 . . . . . . . 85 VAL CA . 50831 2 92 . 1 . 1 23 23 VAL CB C 13 30.007 0.00 . . . . . . . 85 VAL CB . 50831 2 93 . 1 . 1 24 24 LYS H H 1 7.957 0.01 . . . . . . . 86 LYS H . 50831 2 94 . 1 . 1 24 24 LYS CA C 13 59.414 0.00 . . . . . . . 86 LYS CA . 50831 2 95 . 1 . 1 24 24 LYS CB C 13 31.128 0.00 . . . . . . . 86 LYS CB . 50831 2 96 . 1 . 1 24 24 LYS N N 15 117.392 0.04 . . . . . . . 86 LYS N . 50831 2 97 . 1 . 1 25 25 SER C C 13 174.824 0.00 . . . . . . . 87 SER CO . 50831 2 98 . 1 . 1 25 25 SER CA C 13 60.637 0.01 . . . . . . . 87 SER CA . 50831 2 99 . 1 . 1 25 25 SER CB C 13 62.721 0.00 . . . . . . . 87 SER CB . 50831 2 100 . 1 . 1 26 26 GLY H H 1 7.765 0.00 . . . . . . . 88 GLY H . 50831 2 101 . 1 . 1 26 26 GLY C C 13 172.002 0.00 . . . . . . . 88 GLY CO . 50831 2 102 . 1 . 1 26 26 GLY CA C 13 44.582 0.03 . . . . . . . 88 GLY CA . 50831 2 103 . 1 . 1 26 26 GLY N N 15 110.597 0.01 . . . . . . . 88 GLY N . 50831 2 104 . 1 . 1 27 27 ILE H H 1 7.050 0.02 . . . . . . . 89 ILE H . 50831 2 105 . 1 . 1 27 27 ILE C C 13 176.124 0.00 . . . . . . . 89 ILE CO . 50831 2 106 . 1 . 1 27 27 ILE CA C 13 59.353 0.06 . . . . . . . 89 ILE CA . 50831 2 107 . 1 . 1 27 27 ILE CB C 13 39.876 0.06 . . . . . . . 89 ILE CB . 50831 2 108 . 1 . 1 27 27 ILE N N 15 119.257 0.07 . . . . . . . 89 ILE N . 50831 2 109 . 1 . 1 28 28 ARG H H 1 8.227 0.00 . . . . . . . 90 ARG H . 50831 2 110 . 1 . 1 28 28 ARG C C 13 174.783 0.00 . . . . . . . 90 ARG CO . 50831 2 111 . 1 . 1 28 28 ARG CA C 13 54.303 0.00 . . . . . . . 90 ARG CA . 50831 2 112 . 1 . 1 28 28 ARG CB C 13 32.659 0.01 . . . . . . . 90 ARG CB . 50831 2 113 . 1 . 1 28 28 ARG N N 15 126.440 0.02 . . . . . . . 90 ARG N . 50831 2 114 . 1 . 1 29 29 GLN H H 1 8.649 0.00 . . . . . . . 91 GLN H . 50831 2 115 . 1 . 1 29 29 GLN C C 13 175.376 0.00 . . . . . . . 91 GLN CO . 50831 2 116 . 1 . 1 29 29 GLN CA C 13 54.075 0.03 . . . . . . . 91 GLN CA . 50831 2 117 . 1 . 1 29 29 GLN CB C 13 33.782 0.11 . . . . . . . 91 GLN CB . 50831 2 118 . 1 . 1 29 29 GLN N N 15 122.480 0.02 . . . . . . . 91 GLN N . 50831 2 119 . 1 . 1 30 30 MET H H 1 8.628 0.00 . . . . . . . 92 MET H . 50831 2 120 . 1 . 1 30 30 MET C C 13 174.767 0.00 . . . . . . . 92 MET CO . 50831 2 121 . 1 . 1 30 30 MET CA C 13 54.461 0.02 . . . . . . . 92 MET CA . 50831 2 122 . 1 . 1 30 30 MET CB C 13 35.520 0.02 . . . . . . . 92 MET CB . 50831 2 123 . 1 . 1 30 30 MET N N 15 119.821 0.02 . . . . . . . 92 MET N . 50831 2 124 . 1 . 1 31 31 ARG H H 1 9.036 0.01 . . . . . . . 93 ARG H . 50831 2 125 . 1 . 1 31 31 ARG C C 13 175.066 0.00 . . . . . . . 93 ARG CO . 50831 2 126 . 1 . 1 31 31 ARG CA C 13 55.603 0.00 . . . . . . . 93 ARG CA . 50831 2 127 . 1 . 1 31 31 ARG CB C 13 27.528 0.01 . . . . . . . 93 ARG CB . 50831 2 128 . 1 . 1 31 31 ARG N N 15 127.653 0.02 . . . . . . . 93 ARG N . 50831 2 129 . 1 . 1 32 32 LEU H H 1 6.824 0.01 . . . . . . . 94 LEU H . 50831 2 130 . 1 . 1 32 32 LEU C C 13 174.556 0.00 . . . . . . . 94 LEU CO . 50831 2 131 . 1 . 1 32 32 LEU CA C 13 54.562 0.06 . . . . . . . 94 LEU CA . 50831 2 132 . 1 . 1 32 32 LEU CB C 13 44.192 0.01 . . . . . . . 94 LEU CB . 50831 2 133 . 1 . 1 32 32 LEU N N 15 122.784 0.06 . . . . . . . 94 LEU N . 50831 2 134 . 1 . 1 33 33 PHE H H 1 7.676 0.00 . . . . . . . 95 PHE H . 50831 2 135 . 1 . 1 33 33 PHE C C 13 175.734 0.00 . . . . . . . 95 PHE CO . 50831 2 136 . 1 . 1 33 33 PHE CA C 13 56.517 0.00 . . . . . . . 95 PHE CA . 50831 2 137 . 1 . 1 33 33 PHE CB C 13 40.629 0.02 . . . . . . . 95 PHE CB . 50831 2 138 . 1 . 1 33 33 PHE N N 15 116.713 0.01 . . . . . . . 95 PHE N . 50831 2 139 . 1 . 1 34 34 SER H H 1 9.623 0.00 . . . . . . . 96 SER H . 50831 2 140 . 1 . 1 34 34 SER C C 13 175.469 0.00 . . . . . . . 96 SER CO . 50831 2 141 . 1 . 1 34 34 SER CA C 13 56.787 0.03 . . . . . . . 96 SER CA . 50831 2 142 . 1 . 1 34 34 SER CB C 13 64.866 0.02 . . . . . . . 96 SER CB . 50831 2 143 . 1 . 1 34 34 SER N N 15 122.636 0.00 . . . . . . . 96 SER N . 50831 2 144 . 1 . 1 35 35 GLN H H 1 9.163 0.00 . . . . . . . 97 GLN H . 50831 2 145 . 1 . 1 35 35 GLN C C 13 178.106 0.00 . . . . . . . 97 GLN CO . 50831 2 146 . 1 . 1 35 35 GLN CA C 13 60.449 0.01 . . . . . . . 97 GLN CA . 50831 2 147 . 1 . 1 35 35 GLN CB C 13 27.051 0.03 . . . . . . . 97 GLN CB . 50831 2 148 . 1 . 1 35 35 GLN N N 15 122.635 0.00 . . . . . . . 97 GLN N . 50831 2 149 . 1 . 1 36 36 ASP H H 1 8.372 0.00 . . . . . . . 98 ASP H . 50831 2 150 . 1 . 1 36 36 ASP C C 13 179.155 0.00 . . . . . . . 98 ASP CO . 50831 2 151 . 1 . 1 36 36 ASP CA C 13 56.801 0.01 . . . . . . . 98 ASP CA . 50831 2 152 . 1 . 1 36 36 ASP CB C 13 40.103 0.08 . . . . . . . 98 ASP CB . 50831 2 153 . 1 . 1 36 36 ASP N N 15 118.715 0.01 . . . . . . . 98 ASP N . 50831 2 154 . 1 . 1 37 37 GLU H H 1 7.689 0.00 . . . . . . . 99 GLU H . 50831 2 155 . 1 . 1 37 37 GLU C C 13 180.762 0.00 . . . . . . . 99 GLU CO . 50831 2 156 . 1 . 1 37 37 GLU CA C 13 58.831 0.02 . . . . . . . 99 GLU CA . 50831 2 157 . 1 . 1 37 37 GLU CB C 13 29.445 0.03 . . . . . . . 99 GLU CB . 50831 2 158 . 1 . 1 37 37 GLU N N 15 120.593 0.02 . . . . . . . 99 GLU N . 50831 2 159 . 1 . 1 38 38 CYS H H 1 8.859 0.00 . . . . . . . 100 CYS H . 50831 2 160 . 1 . 1 38 38 CYS C C 13 175.636 0.00 . . . . . . . 100 CYS CO . 50831 2 161 . 1 . 1 38 38 CYS CA C 13 64.126 0.02 . . . . . . . 100 CYS CA . 50831 2 162 . 1 . 1 38 38 CYS CB C 13 25.495 0.06 . . . . . . . 100 CYS CB . 50831 2 163 . 1 . 1 38 38 CYS N N 15 117.950 0.02 . . . . . . . 100 CYS N . 50831 2 164 . 1 . 1 39 39 ALA H H 1 7.944 0.00 . . . . . . . 101 ALA H . 50831 2 165 . 1 . 1 39 39 ALA C C 13 180.696 0.00 . . . . . . . 101 ALA CO . 50831 2 166 . 1 . 1 39 39 ALA CA C 13 54.642 0.03 . . . . . . . 101 ALA CA . 50831 2 167 . 1 . 1 39 39 ALA CB C 13 16.761 0.02 . . . . . . . 101 ALA CB . 50831 2 168 . 1 . 1 39 39 ALA N N 15 121.660 0.01 . . . . . . . 101 ALA N . 50831 2 169 . 1 . 1 40 40 LYS H H 1 7.246 0.00 . . . . . . . 102 LYS H . 50831 2 170 . 1 . 1 40 40 LYS C C 13 178.894 0.00 . . . . . . . 102 LYS CO . 50831 2 171 . 1 . 1 40 40 LYS CA C 13 58.731 0.05 . . . . . . . 102 LYS CA . 50831 2 172 . 1 . 1 40 40 LYS CB C 13 31.189 0.04 . . . . . . . 102 LYS CB . 50831 2 173 . 1 . 1 40 40 LYS N N 15 118.847 0.01 . . . . . . . 102 LYS N . 50831 2 174 . 1 . 1 41 41 ILE H H 1 7.470 0.21 . . . . . . . 103 ILE H . 50831 2 175 . 1 . 1 41 41 ILE CA C 13 64.691 0.00 . . . . . . . 103 ILE CA . 50831 2 176 . 1 . 1 41 41 ILE CB C 13 36.931 0.00 . . . . . . . 103 ILE CB . 50831 2 177 . 1 . 1 41 41 ILE N N 15 121.583 0.11 . . . . . . . 103 ILE N . 50831 2 178 . 1 . 1 42 42 GLU C C 13 177.687 0.00 . . . . . . . 104 GLU CO . 50831 2 179 . 1 . 1 42 42 GLU CA C 13 58.551 0.03 . . . . . . . 104 GLU CA . 50831 2 180 . 1 . 1 42 42 GLU CB C 13 27.329 0.01 . . . . . . . 104 GLU CB . 50831 2 181 . 1 . 1 43 43 ALA H H 1 7.110 0.00 . . . . . . . 105 ALA H . 50831 2 182 . 1 . 1 43 43 ALA C C 13 181.082 0.00 . . . . . . . 105 ALA CO . 50831 2 183 . 1 . 1 43 43 ALA CA C 13 54.419 0.01 . . . . . . . 105 ALA CA . 50831 2 184 . 1 . 1 43 43 ALA CB C 13 16.673 0.03 . . . . . . . 105 ALA CB . 50831 2 185 . 1 . 1 43 43 ALA N N 15 119.759 0.02 . . . . . . . 105 ALA N . 50831 2 186 . 1 . 1 44 44 ARG H H 1 6.746 0.01 . . . . . . . 106 ARG H . 50831 2 187 . 1 . 1 44 44 ARG CA C 13 56.276 0.00 . . . . . . . 106 ARG CA . 50831 2 188 . 1 . 1 44 44 ARG CB C 13 25.021 0.00 . . . . . . . 106 ARG CB . 50831 2 189 . 1 . 1 44 44 ARG N N 15 118.249 0.02 . . . . . . . 106 ARG N . 50831 2 190 . 1 . 1 45 45 ILE C C 13 177.689 0.00 . . . . . . . 107 ILE CO . 50831 2 191 . 1 . 1 45 45 ILE CA C 13 66.246 0.03 . . . . . . . 107 ILE CA . 50831 2 192 . 1 . 1 45 45 ILE CB C 13 36.187 0.02 . . . . . . . 107 ILE CB . 50831 2 193 . 1 . 1 46 46 ASP H H 1 8.030 0.00 . . . . . . . 108 ASP H . 50831 2 194 . 1 . 1 46 46 ASP C C 13 179.079 0.00 . . . . . . . 108 ASP CO . 50831 2 195 . 1 . 1 46 46 ASP CA C 13 57.314 0.08 . . . . . . . 108 ASP CA . 50831 2 196 . 1 . 1 46 46 ASP CB C 13 38.597 0.13 . . . . . . . 108 ASP CB . 50831 2 197 . 1 . 1 46 46 ASP N N 15 119.508 0.02 . . . . . . . 108 ASP N . 50831 2 198 . 1 . 1 47 47 GLU H H 1 7.369 0.00 . . . . . . . 109 GLU H . 50831 2 199 . 1 . 1 47 47 GLU C C 13 178.666 0.00 . . . . . . . 109 GLU CO . 50831 2 200 . 1 . 1 47 47 GLU CA C 13 58.826 0.02 . . . . . . . 109 GLU CA . 50831 2 201 . 1 . 1 47 47 GLU CB C 13 28.240 0.02 . . . . . . . 109 GLU CB . 50831 2 202 . 1 . 1 47 47 GLU N N 15 122.974 0.02 . . . . . . . 109 GLU N . 50831 2 203 . 1 . 1 48 48 VAL H H 1 7.657 0.00 . . . . . . . 110 VAL H . 50831 2 204 . 1 . 1 48 48 VAL C C 13 177.813 0.00 . . . . . . . 110 VAL CO . 50831 2 205 . 1 . 1 48 48 VAL CA C 13 65.344 0.04 . . . . . . . 110 VAL CA . 50831 2 206 . 1 . 1 48 48 VAL CB C 13 30.346 0.02 . . . . . . . 110 VAL CB . 50831 2 207 . 1 . 1 48 48 VAL N N 15 124.166 0.01 . . . . . . . 110 VAL N . 50831 2 208 . 1 . 1 49 49 VAL H H 1 7.836 0.01 . . . . . . . 111 VAL H . 50831 2 209 . 1 . 1 49 49 VAL C C 13 179.421 0.00 . . . . . . . 111 VAL CO . 50831 2 210 . 1 . 1 49 49 VAL CA C 13 66.114 0.02 . . . . . . . 111 VAL CA . 50831 2 211 . 1 . 1 49 49 VAL CB C 13 30.692 0.04 . . . . . . . 111 VAL CB . 50831 2 212 . 1 . 1 49 49 VAL N N 15 119.595 0.02 . . . . . . . 111 VAL N . 50831 2 213 . 1 . 1 50 50 SER H H 1 7.874 0.01 . . . . . . . 112 SER H . 50831 2 214 . 1 . 1 50 50 SER CA C 13 60.806 0.00 . . . . . . . 112 SER CA . 50831 2 215 . 1 . 1 50 50 SER CB C 13 62.426 0.00 . . . . . . . 112 SER CB . 50831 2 216 . 1 . 1 50 50 SER N N 15 114.499 0.03 . . . . . . . 112 SER N . 50831 2 217 . 1 . 1 53 53 GLU C C 13 178.072 0.00 . . . . . . . 115 GLU CO . 50831 2 218 . 1 . 1 53 53 GLU CA C 13 58.105 0.03 . . . . . . . 115 GLU CA . 50831 2 219 . 1 . 1 53 53 GLU CB C 13 27.907 0.06 . . . . . . . 115 GLU CB . 50831 2 220 . 1 . 1 54 54 LYS H H 1 7.348 0.00 . . . . . . . 116 LYS H . 50831 2 221 . 1 . 1 54 54 LYS C C 13 176.700 0.00 . . . . . . . 116 LYS CO . 50831 2 222 . 1 . 1 54 54 LYS CA C 13 55.986 0.01 . . . . . . . 116 LYS CA . 50831 2 223 . 1 . 1 54 54 LYS CB C 13 32.266 0.02 . . . . . . . 116 LYS CB . 50831 2 224 . 1 . 1 54 54 LYS N N 15 117.633 0.03 . . . . . . . 116 LYS N . 50831 2 225 . 1 . 1 55 55 GLY H H 1 7.709 0.00 . . . . . . . 117 GLY H . 50831 2 226 . 1 . 1 55 55 GLY C C 13 175.927 0.00 . . . . . . . 117 GLY CO . 50831 2 227 . 1 . 1 55 55 GLY CA C 13 46.080 0.02 . . . . . . . 117 GLY CA . 50831 2 228 . 1 . 1 55 55 GLY N N 15 107.875 0.01 . . . . . . . 117 GLY N . 50831 2 229 . 1 . 1 56 56 LEU H H 1 6.972 0.00 . . . . . . . 118 LEU H . 50831 2 230 . 1 . 1 56 56 LEU C C 13 176.972 0.00 . . . . . . . 118 LEU CO . 50831 2 231 . 1 . 1 56 56 LEU CA C 13 54.623 0.03 . . . . . . . 118 LEU CA . 50831 2 232 . 1 . 1 56 56 LEU CB C 13 40.524 0.00 . . . . . . . 118 LEU CB . 50831 2 233 . 1 . 1 56 56 LEU N N 15 116.824 0.02 . . . . . . . 118 LEU N . 50831 2 234 . 1 . 1 57 57 TYR H H 1 7.938 0.00 . . . . . . . 119 TYR H . 50831 2 235 . 1 . 1 57 57 TYR C C 13 175.952 0.00 . . . . . . . 119 TYR CO . 50831 2 236 . 1 . 1 57 57 TYR CA C 13 56.158 0.16 . . . . . . . 119 TYR CA . 50831 2 237 . 1 . 1 57 57 TYR CB C 13 39.701 0.07 . . . . . . . 119 TYR CB . 50831 2 238 . 1 . 1 57 57 TYR N N 15 118.727 0.01 . . . . . . . 119 TYR N . 50831 2 239 . 1 . 1 58 58 ASN H H 1 9.704 0.00 . . . . . . . 120 ASN H . 50831 2 240 . 1 . 1 58 58 ASN C C 13 177.159 0.00 . . . . . . . 120 ASN CO . 50831 2 241 . 1 . 1 58 58 ASN CA C 13 52.910 0.00 . . . . . . . 120 ASN CA . 50831 2 242 . 1 . 1 58 58 ASN CB C 13 37.167 0.03 . . . . . . . 120 ASN CB . 50831 2 243 . 1 . 1 58 58 ASN N N 15 120.811 0.01 . . . . . . . 120 ASN N . 50831 2 244 . 1 . 1 59 59 GLU H H 1 8.533 0.00 . . . . . . . 121 GLU H . 50831 2 245 . 1 . 1 59 59 GLU C C 13 176.138 0.00 . . . . . . . 121 GLU CO . 50831 2 246 . 1 . 1 59 59 GLU CA C 13 59.305 0.00 . . . . . . . 121 GLU CA . 50831 2 247 . 1 . 1 59 59 GLU CB C 13 28.630 0.12 . . . . . . . 121 GLU CB . 50831 2 248 . 1 . 1 59 59 GLU N N 15 121.418 0.01 . . . . . . . 121 GLU N . 50831 2 249 . 1 . 1 60 60 HIS H H 1 8.392 0.00 . . . . . . . 122 HIS H . 50831 2 250 . 1 . 1 60 60 HIS C C 13 174.777 0.00 . . . . . . . 122 HIS CO . 50831 2 251 . 1 . 1 60 60 HIS CA C 13 54.938 0.08 . . . . . . . 122 HIS CA . 50831 2 252 . 1 . 1 60 60 HIS CB C 13 30.817 1.75 . . . . . . . 122 HIS CB . 50831 2 253 . 1 . 1 60 60 HIS N N 15 119.201 0.10 . . . . . . . 122 HIS N . 50831 2 254 . 1 . 1 61 61 THR H H 1 8.668 0.02 . . . . . . . 123 THR H . 50831 2 255 . 1 . 1 61 61 THR C C 13 174.501 0.00 . . . . . . . 123 THR CO . 50831 2 256 . 1 . 1 61 61 THR CA C 13 61.601 0.00 . . . . . . . 123 THR CA . 50831 2 257 . 1 . 1 61 61 THR CB C 13 69.244 0.00 . . . . . . . 123 THR CB . 50831 2 258 . 1 . 1 61 61 THR N N 15 126.455 0.02 . . . . . . . 123 THR N . 50831 2 259 . 1 . 1 62 62 VAL H H 1 8.038 0.01 . . . . . . . 124 VAL H . 50831 2 260 . 1 . 1 62 62 VAL C C 13 175.643 0.00 . . . . . . . 124 VAL CO . 50831 2 261 . 1 . 1 62 62 VAL CA C 13 61.665 0.07 . . . . . . . 124 VAL CA . 50831 2 262 . 1 . 1 62 62 VAL CB C 13 31.913 0.00 . . . . . . . 124 VAL CB . 50831 2 263 . 1 . 1 62 62 VAL N N 15 122.353 0.05 . . . . . . . 124 VAL N . 50831 2 264 . 1 . 1 63 63 ASP H H 1 8.223 0.00 . . . . . . . 125 ASP H . 50831 2 265 . 1 . 1 63 63 ASP C C 13 175.762 0.00 . . . . . . . 125 ASP CO . 50831 2 266 . 1 . 1 63 63 ASP CA C 13 53.825 0.00 . . . . . . . 125 ASP CA . 50831 2 267 . 1 . 1 63 63 ASP CB C 13 40.281 0.14 . . . . . . . 125 ASP CB . 50831 2 268 . 1 . 1 63 63 ASP N N 15 124.235 0.06 . . . . . . . 125 ASP N . 50831 2 269 . 1 . 1 64 64 ARG H H 1 8.068 0.00 . . . . . . . 126 ARG H . 50831 2 270 . 1 . 1 64 64 ARG C C 13 176.226 0.00 . . . . . . . 126 ARG CO . 50831 2 271 . 1 . 1 64 64 ARG CA C 13 58.141 2.12 . . . . . . . 126 ARG CA . 50831 2 272 . 1 . 1 64 64 ARG CB C 13 31.617 1.29 . . . . . . . 126 ARG CB . 50831 2 273 . 1 . 1 64 64 ARG N N 15 122.000 0.03 . . . . . . . 126 ARG N . 50831 2 274 . 1 . 1 65 65 ALA H H 1 8.264 0.00 . . . . . . . 127 ALA H . 50831 2 275 . 1 . 1 65 65 ALA CA C 13 54.897 0.00 . . . . . . . 127 ALA CA . 50831 2 276 . 1 . 1 65 65 ALA CB C 13 21.43 0.00 . . . . . . . 127 ALA CB . 50831 2 277 . 1 . 1 65 65 ALA N N 15 127.956 0.05 . . . . . . . 127 ALA N . 50831 2 278 . 1 . 1 66 66 PRO C C 13 174.381 0.00 . . . . . . . 128 PRO CO . 50831 2 279 . 1 . 1 66 66 PRO CA C 13 61.020 0.02 . . . . . . . 128 PRO CA . 50831 2 280 . 1 . 1 66 66 PRO CB C 13 32.032 0.03 . . . . . . . 128 PRO CB . 50831 2 281 . 1 . 1 67 67 LEU H H 1 8.867 0.00 . . . . . . . 129 LEU H . 50831 2 282 . 1 . 1 67 67 LEU C C 13 173.926 0.00 . . . . . . . 129 LEU CO . 50831 2 283 . 1 . 1 67 67 LEU CA C 13 52.452 0.01 . . . . . . . 129 LEU CA . 50831 2 284 . 1 . 1 67 67 LEU CB C 13 43.832 0.07 . . . . . . . 129 LEU CB . 50831 2 285 . 1 . 1 67 67 LEU N N 15 130.759 0.03 . . . . . . . 129 LEU N . 50831 2 286 . 1 . 1 68 68 ARG H H 1 8.215 0.00 . . . . . . . 130 ARG H . 50831 2 287 . 1 . 1 68 68 ARG C C 13 175.010 0.00 . . . . . . . 130 ARG CO . 50831 2 288 . 1 . 1 68 68 ARG CA C 13 55.361 0.01 . . . . . . . 130 ARG CA . 50831 2 289 . 1 . 1 68 68 ARG CB C 13 30.564 0.08 . . . . . . . 130 ARG CB . 50831 2 290 . 1 . 1 68 68 ARG N N 15 124.741 0.05 . . . . . . . 130 ARG N . 50831 2 291 . 1 . 1 69 69 ASN H H 1 8.283 0.01 . . . . . . . 131 ASN H . 50831 2 292 . 1 . 1 69 69 ASN CA C 13 50.064 0.00 . . . . . . . 131 ASN CA . 50831 2 293 . 1 . 1 69 69 ASN N N 15 129.100 0.13 . . . . . . . 131 ASN N . 50831 2 294 . 1 . 1 71 71 TYR C C 13 173.924 0.00 . . . . . . . 133 TYR CO . 50831 2 295 . 1 . 1 71 71 TYR CA C 13 54.301 0.01 . . . . . . . 133 TYR CA . 50831 2 296 . 1 . 1 71 71 TYR CB C 13 38.419 0.00 . . . . . . . 133 TYR CB . 50831 2 297 . 1 . 1 72 72 PHE H H 1 9.439 0.01 . . . . . . . 134 PHE H . 50831 2 298 . 1 . 1 72 72 PHE C C 13 172.314 0.00 . . . . . . . 134 PHE CO . 50831 2 299 . 1 . 1 72 72 PHE CA C 13 56.872 0.05 . . . . . . . 134 PHE CA . 50831 2 300 . 1 . 1 72 72 PHE CB C 13 40.582 0.00 . . . . . . . 134 PHE CB . 50831 2 301 . 1 . 1 72 72 PHE N N 15 123.321 0.02 . . . . . . . 134 PHE N . 50831 2 302 . 1 . 1 73 73 PHE H H 1 8.104 0.01 . . . . . . . 135 PHE H . 50831 2 303 . 1 . 1 73 73 PHE C C 13 177.937 0.00 . . . . . . . 135 PHE CO . 50831 2 304 . 1 . 1 73 73 PHE CA C 13 54.756 0.01 . . . . . . . 135 PHE CA . 50831 2 305 . 1 . 1 73 73 PHE CB C 13 40.740 0.01 . . . . . . . 135 PHE CB . 50831 2 306 . 1 . 1 73 73 PHE N N 15 114.131 0.02 . . . . . . . 135 PHE N . 50831 2 307 . 1 . 1 74 74 GLY H H 1 9.690 0.00 . . . . . . . 136 GLY H . 50831 2 308 . 1 . 1 74 74 GLY C C 13 174.806 0.00 . . . . . . . 136 GLY CO . 50831 2 309 . 1 . 1 74 74 GLY CA C 13 46.730 0.02 . . . . . . . 136 GLY CA . 50831 2 310 . 1 . 1 74 74 GLY N N 15 115.209 0.01 . . . . . . . 136 GLY N . 50831 2 311 . 1 . 1 75 75 GLU H H 1 7.730 0.01 . . . . . . . 137 GLU H . 50831 2 312 . 1 . 1 75 75 GLU C C 13 175.608 0.00 . . . . . . . 137 GLU CO . 50831 2 313 . 1 . 1 75 75 GLU CA C 13 54.549 0.06 . . . . . . . 137 GLU CA . 50831 2 314 . 1 . 1 75 75 GLU CB C 13 33.389 0.04 . . . . . . . 137 GLU CB . 50831 2 315 . 1 . 1 75 75 GLU N N 15 118.163 0.03 . . . . . . . 137 GLU N . 50831 2 316 . 1 . 1 76 76 GLY H H 1 9.001 0.01 . . . . . . . 138 GLY H . 50831 2 317 . 1 . 1 76 76 GLY CA C 13 43.773 0.09 . . . . . . . 138 GLY CA . 50831 2 318 . 1 . 1 76 76 GLY N N 15 107.954 0.01 . . . . . . . 138 GLY N . 50831 2 319 . 1 . 1 77 77 TYR C C 13 172.834 0.00 . . . . . . . 139 TYR CO . 50831 2 320 . 1 . 1 77 77 TYR CA C 13 53.100 0.01 . . . . . . . 139 TYR CA . 50831 2 321 . 1 . 1 77 77 TYR CB C 13 40.736 0.00 . . . . . . . 139 TYR CB . 50831 2 322 . 1 . 1 78 78 THR H H 1 8.474 0.01 . . . . . . . 140 THR H . 50831 2 323 . 1 . 1 78 78 THR C C 13 173.099 0.00 . . . . . . . 140 THR CO . 50831 2 324 . 1 . 1 78 78 THR CA C 13 58.638 0.03 . . . . . . . 140 THR CA . 50831 2 325 . 1 . 1 78 78 THR CB C 13 70.243 0.11 . . . . . . . 140 THR CB . 50831 2 326 . 1 . 1 78 78 THR N N 15 110.601 0.02 . . . . . . . 140 THR N . 50831 2 327 . 1 . 1 79 79 TYR H H 1 7.120 0.00 . . . . . . . 141 TYR H . 50831 2 328 . 1 . 1 79 79 TYR C C 13 175.055 0.00 . . . . . . . 141 TYR CO . 50831 2 329 . 1 . 1 79 79 TYR CA C 13 55.961 0.06 . . . . . . . 141 TYR CA . 50831 2 330 . 1 . 1 79 79 TYR CB C 13 38.260 0.11 . . . . . . . 141 TYR CB . 50831 2 331 . 1 . 1 79 79 TYR N N 15 110.807 0.02 . . . . . . . 141 TYR N . 50831 2 332 . 1 . 1 80 80 GLY H H 1 8.724 0.01 . . . . . . . 142 GLY H . 50831 2 333 . 1 . 1 80 80 GLY C C 13 174.967 0.00 . . . . . . . 142 GLY CO . 50831 2 334 . 1 . 1 80 80 GLY CA C 13 47.094 0.04 . . . . . . . 142 GLY CA . 50831 2 335 . 1 . 1 80 80 GLY N N 15 109.408 0.10 . . . . . . . 142 GLY N . 50831 2 336 . 1 . 1 81 81 ALA H H 1 9.260 0.01 . . . . . . . 143 ALA H . 50831 2 337 . 1 . 1 81 81 ALA C C 13 177.860 0.00 . . . . . . . 143 ALA CO . 50831 2 338 . 1 . 1 81 81 ALA CA C 13 52.136 0.91 . . . . . . . 143 ALA CA . 50831 2 339 . 1 . 1 81 81 ALA CB C 13 18.679 1.42 . . . . . . . 143 ALA CB . 50831 2 340 . 1 . 1 81 81 ALA N N 15 127.741 0.05 . . . . . . . 143 ALA N . 50831 2 341 . 1 . 1 82 82 GLN H H 1 7.250 0.01 . . . . . . . 144 GLN H . 50831 2 342 . 1 . 1 82 82 GLN C C 13 176.962 0.00 . . . . . . . 144 GLN CO . 50831 2 343 . 1 . 1 82 82 GLN CA C 13 55.788 0.02 . . . . . . . 144 GLN CA . 50831 2 344 . 1 . 1 82 82 GLN CB C 13 27.549 0.02 . . . . . . . 144 GLN CB . 50831 2 345 . 1 . 1 82 82 GLN N N 15 115.302 0.05 . . . . . . . 144 GLN N . 50831 2 346 . 1 . 1 83 83 LEU H H 1 7.448 0.00 . . . . . . . 145 LEU H . 50831 2 347 . 1 . 1 83 83 LEU C C 13 177.275 0.00 . . . . . . . 145 LEU CO . 50831 2 348 . 1 . 1 83 83 LEU CA C 13 54.027 0.01 . . . . . . . 145 LEU CA . 50831 2 349 . 1 . 1 83 83 LEU CB C 13 39.597 0.06 . . . . . . . 145 LEU CB . 50831 2 350 . 1 . 1 83 83 LEU N N 15 119.781 0.03 . . . . . . . 145 LEU N . 50831 2 351 . 1 . 1 84 84 GLN H H 1 8.254 0.00 . . . . . . . 146 GLN H . 50831 2 352 . 1 . 1 84 84 GLN C C 13 176.110 0.00 . . . . . . . 146 GLN CO . 50831 2 353 . 1 . 1 84 84 GLN CA C 13 57.607 0.02 . . . . . . . 146 GLN CA . 50831 2 354 . 1 . 1 84 84 GLN CB C 13 27.693 0.08 . . . . . . . 146 GLN CB . 50831 2 355 . 1 . 1 84 84 GLN N N 15 122.129 0.02 . . . . . . . 146 GLN N . 50831 2 356 . 1 . 1 85 85 LYS H H 1 7.396 0.01 . . . . . . . 147 LYS H . 50831 2 357 . 1 . 1 85 85 LYS C C 13 174.214 0.00 . . . . . . . 147 LYS CO . 50831 2 358 . 1 . 1 85 85 LYS CA C 13 54.501 0.02 . . . . . . . 147 LYS CA . 50831 2 359 . 1 . 1 85 85 LYS CB C 13 33.464 0.02 . . . . . . . 147 LYS CB . 50831 2 360 . 1 . 1 85 85 LYS N N 15 118.272 0.02 . . . . . . . 147 LYS N . 50831 2 361 . 1 . 1 86 86 ARG H H 1 8.046 0.00 . . . . . . . 148 ARG H . 50831 2 362 . 1 . 1 86 86 ARG C C 13 176.634 0.00 . . . . . . . 148 ARG CO . 50831 2 363 . 1 . 1 86 86 ARG CA C 13 54.878 0.02 . . . . . . . 148 ARG CA . 50831 2 364 . 1 . 1 86 86 ARG CB C 13 29.566 0.05 . . . . . . . 148 ARG CB . 50831 2 365 . 1 . 1 86 86 ARG N N 15 120.594 0.03 . . . . . . . 148 ARG N . 50831 2 366 . 1 . 1 87 87 GLY H H 1 8.085 0.01 . . . . . . . 149 GLY H . 50831 2 367 . 1 . 1 87 87 GLY CA C 13 43.740 0.00 . . . . . . . 149 GLY CA . 50831 2 368 . 1 . 1 87 87 GLY N N 15 109.946 0.02 . . . . . . . 149 GLY N . 50831 2 369 . 1 . 1 88 88 PRO C C 13 178.820 0.00 . . . . . . . 150 PRO CO . 50831 2 370 . 1 . 1 88 88 PRO CA C 13 62.712 0.00 . . . . . . . 150 PRO CA . 50831 2 371 . 1 . 1 88 88 PRO CB C 13 30.568 0.00 . . . . . . . 150 PRO CB . 50831 2 372 . 1 . 1 89 89 GLY H H 1 9.485 0.00 . . . . . . . 151 GLY H . 50831 2 373 . 1 . 1 89 89 GLY C C 13 175.406 0.00 . . . . . . . 151 GLY CO . 50831 2 374 . 1 . 1 89 89 GLY CA C 13 44.513 0.06 . . . . . . . 151 GLY CA . 50831 2 375 . 1 . 1 89 89 GLY N N 15 112.051 0.02 . . . . . . . 151 GLY N . 50831 2 376 . 1 . 1 90 90 GLN H H 1 7.109 0.01 . . . . . . . 152 GLN H . 50831 2 377 . 1 . 1 90 90 GLN C C 13 176.398 0.00 . . . . . . . 152 GLN CO . 50831 2 378 . 1 . 1 90 90 GLN CA C 13 55.985 0.02 . . . . . . . 152 GLN CA . 50831 2 379 . 1 . 1 90 90 GLN CB C 13 28.953 0.02 . . . . . . . 152 GLN CB . 50831 2 380 . 1 . 1 90 90 GLN N N 15 116.742 0.02 . . . . . . . 152 GLN N . 50831 2 381 . 1 . 1 91 91 GLU H H 1 9.525 0.00 . . . . . . . 153 GLU H . 50831 2 382 . 1 . 1 91 91 GLU C C 13 177.240 0.00 . . . . . . . 153 GLU CO . 50831 2 383 . 1 . 1 91 91 GLU CA C 13 59.280 0.03 . . . . . . . 153 GLU CA . 50831 2 384 . 1 . 1 91 91 GLU CB C 13 27.968 0.06 . . . . . . . 153 GLU CB . 50831 2 385 . 1 . 1 91 91 GLU N N 15 119.997 0.02 . . . . . . . 153 GLU N . 50831 2 386 . 1 . 1 92 92 ARG H H 1 7.714 0.00 . . . . . . . 154 ARG H . 50831 2 387 . 1 . 1 92 92 ARG C C 13 174.873 0.00 . . . . . . . 154 ARG CO . 50831 2 388 . 1 . 1 92 92 ARG CA C 13 52.580 0.01 . . . . . . . 154 ARG CA . 50831 2 389 . 1 . 1 92 92 ARG CB C 13 34.250 0.04 . . . . . . . 154 ARG CB . 50831 2 390 . 1 . 1 92 92 ARG N N 15 122.075 0.02 . . . . . . . 154 ARG N . 50831 2 391 . 1 . 1 93 93 LEU H H 1 7.974 0.00 . . . . . . . 155 LEU H . 50831 2 392 . 1 . 1 93 93 LEU C C 13 176.519 0.00 . . . . . . . 155 LEU CO . 50831 2 393 . 1 . 1 93 93 LEU CA C 13 53.547 0.83 . . . . . . . 155 LEU CA . 50831 2 394 . 1 . 1 93 93 LEU CB C 13 41.969 0.54 . . . . . . . 155 LEU CB . 50831 2 395 . 1 . 1 93 93 LEU N N 15 116.229 0.01 . . . . . . . 155 LEU N . 50831 2 396 . 1 . 1 94 94 TYR H H 1 8.147 0.00 . . . . . . . 156 TYR H . 50831 2 397 . 1 . 1 94 94 TYR CA C 13 54.501 0.00 . . . . . . . 156 TYR CA . 50831 2 398 . 1 . 1 94 94 TYR N N 15 128.721 0.09 . . . . . . . 156 TYR N . 50831 2 399 . 1 . 1 96 96 PRO C C 13 178.014 0.00 . . . . . . . 158 PRO CO . 50831 2 400 . 1 . 1 96 96 PRO CA C 13 63.528 0.01 . . . . . . . 158 PRO CA . 50831 2 401 . 1 . 1 96 96 PRO CB C 13 30.536 0.01 . . . . . . . 158 PRO CB . 50831 2 402 . 1 . 1 97 97 GLY H H 1 8.718 0.00 . . . . . . . 159 GLY H . 50831 2 403 . 1 . 1 97 97 GLY C C 13 174.448 0.00 . . . . . . . 159 GLY CO . 50831 2 404 . 1 . 1 97 97 GLY CA C 13 44.938 0.04 . . . . . . . 159 GLY CA . 50831 2 405 . 1 . 1 97 97 GLY N N 15 113.350 0.01 . . . . . . . 159 GLY N . 50831 2 406 . 1 . 1 98 98 ASP H H 1 7.645 0.00 . . . . . . . 160 ASP H . 50831 2 407 . 1 . 1 98 98 ASP C C 13 177.141 0.00 . . . . . . . 160 ASP CO . 50831 2 408 . 1 . 1 98 98 ASP CA C 13 55.698 0.03 . . . . . . . 160 ASP CA . 50831 2 409 . 1 . 1 98 98 ASP CB C 13 41.402 0.00 . . . . . . . 160 ASP CB . 50831 2 410 . 1 . 1 98 98 ASP N N 15 120.829 0.02 . . . . . . . 160 ASP N . 50831 2 411 . 1 . 1 99 99 VAL H H 1 7.363 0.00 . . . . . . . 161 VAL H . 50831 2 412 . 1 . 1 99 99 VAL C C 13 175.792 0.00 . . . . . . . 161 VAL CO . 50831 2 413 . 1 . 1 99 99 VAL CA C 13 58.345 0.02 . . . . . . . 161 VAL CA . 50831 2 414 . 1 . 1 99 99 VAL CB C 13 31.074 0.02 . . . . . . . 161 VAL CB . 50831 2 415 . 1 . 1 99 99 VAL N N 15 110.353 0.02 . . . . . . . 161 VAL N . 50831 2 416 . 1 . 1 100 100 ASP H H 1 7.452 0.01 . . . . . . . 162 ASP H . 50831 2 417 . 1 . 1 100 100 ASP C C 13 174.752 0.00 . . . . . . . 162 ASP CO . 50831 2 418 . 1 . 1 100 100 ASP CA C 13 54.867 0.01 . . . . . . . 162 ASP CA . 50831 2 419 . 1 . 1 100 100 ASP CB C 13 43.092 0.01 . . . . . . . 162 ASP CB . 50831 2 420 . 1 . 1 100 100 ASP N N 15 122.966 0.02 . . . . . . . 162 ASP N . 50831 2 421 . 1 . 1 101 101 GLU H H 1 8.610 0.00 . . . . . . . 163 GLU H . 50831 2 422 . 1 . 1 101 101 GLU CA C 13 55.194 0.00 . . . . . . . 163 GLU CA . 50831 2 423 . 1 . 1 101 101 GLU CB C 13 29.219 0.00 . . . . . . . 163 GLU CB . 50831 2 424 . 1 . 1 101 101 GLU N N 15 118.540 0.01 . . . . . . . 163 GLU N . 50831 2 425 . 1 . 1 103 103 PRO C C 13 177.577 0.00 . . . . . . . 165 PRO CO . 50831 2 426 . 1 . 1 103 103 PRO CA C 13 61.802 0.00 . . . . . . . 165 PRO CA . 50831 2 427 . 1 . 1 103 103 PRO CB C 13 32.057 0.01 . . . . . . . 165 PRO CB . 50831 2 428 . 1 . 1 104 104 GLU H H 1 8.933 0.00 . . . . . . . 166 GLU H . 50831 2 429 . 1 . 1 104 104 GLU C C 13 179.154 0.00 . . . . . . . 166 GLU CO . 50831 2 430 . 1 . 1 104 104 GLU CA C 13 59.337 0.02 . . . . . . . 166 GLU CA . 50831 2 431 . 1 . 1 104 104 GLU CB C 13 27.581 0.01 . . . . . . . 166 GLU CB . 50831 2 432 . 1 . 1 104 104 GLU N N 15 125.863 0.01 . . . . . . . 166 GLU N . 50831 2 433 . 1 . 1 105 105 TRP H H 1 8.158 0.00 . . . . . . . 167 TRP H . 50831 2 434 . 1 . 1 105 105 TRP C C 13 178.576 0.00 . . . . . . . 167 TRP CO . 50831 2 435 . 1 . 1 105 105 TRP CA C 13 58.913 0.03 . . . . . . . 167 TRP CA . 50831 2 436 . 1 . 1 105 105 TRP CB C 13 26.870 0.06 . . . . . . . 167 TRP CB . 50831 2 437 . 1 . 1 105 105 TRP N N 15 115.891 0.01 . . . . . . . 167 TRP N . 50831 2 438 . 1 . 1 106 106 VAL H H 1 6.418 0.00 . . . . . . . 168 VAL H . 50831 2 439 . 1 . 1 106 106 VAL C C 13 179.291 0.00 . . . . . . . 168 VAL CO . 50831 2 440 . 1 . 1 106 106 VAL CA C 13 65.352 0.01 . . . . . . . 168 VAL CA . 50831 2 441 . 1 . 1 106 106 VAL CB C 13 28.739 0.03 . . . . . . . 168 VAL CB . 50831 2 442 . 1 . 1 106 106 VAL N N 15 123.344 0.02 . . . . . . . 168 VAL N . 50831 2 443 . 1 . 1 107 107 HIS H H 1 6.943 0.00 . . . . . . . 169 HIS H . 50831 2 444 . 1 . 1 107 107 HIS C C 13 175.750 0.00 . . . . . . . 169 HIS CO . 50831 2 445 . 1 . 1 107 107 HIS CA C 13 59.882 0.01 . . . . . . . 169 HIS CA . 50831 2 446 . 1 . 1 107 107 HIS CB C 13 28.216 0.08 . . . . . . . 169 HIS CB . 50831 2 447 . 1 . 1 107 107 HIS N N 15 119.389 0.02 . . . . . . . 169 HIS N . 50831 2 448 . 1 . 1 108 108 GLN H H 1 8.461 0.00 . . . . . . . 170 GLN H . 50831 2 449 . 1 . 1 108 108 GLN C C 13 177.572 0.00 . . . . . . . 170 GLN CO . 50831 2 450 . 1 . 1 108 108 GLN CA C 13 58.480 0.03 . . . . . . . 170 GLN CA . 50831 2 451 . 1 . 1 108 108 GLN CB C 13 28.828 0.00 . . . . . . . 170 GLN CB . 50831 2 452 . 1 . 1 108 108 GLN N N 15 116.123 0.03 . . . . . . . 170 GLN N . 50831 2 453 . 1 . 1 109 109 LEU H H 1 8.747 0.01 . . . . . . . 171 LEU H . 50831 2 454 . 1 . 1 109 109 LEU CA C 13 55.339 0.00 . . . . . . . 171 LEU CA . 50831 2 455 . 1 . 1 109 109 LEU CB C 13 41.661 0.00 . . . . . . . 171 LEU CB . 50831 2 456 . 1 . 1 109 109 LEU N N 15 112.811 0.03 . . . . . . . 171 LEU N . 50831 2 457 . 1 . 1 111 111 ILE C C 13 177.866 0.00 . . . . . . . 173 ILE CO . 50831 2 458 . 1 . 1 111 111 ILE CA C 13 66.652 0.00 . . . . . . . 173 ILE CA . 50831 2 459 . 1 . 1 111 111 ILE CB C 13 36.649 0.05 . . . . . . . 173 ILE CB . 50831 2 460 . 1 . 1 112 112 GLN H H 1 8.308 0.00 . . . . . . . 174 GLN H . 50831 2 461 . 1 . 1 112 112 GLN C C 13 177.875 0.00 . . . . . . . 174 GLN CO . 50831 2 462 . 1 . 1 112 112 GLN CA C 13 58.903 0.01 . . . . . . . 174 GLN CA . 50831 2 463 . 1 . 1 112 112 GLN CB C 13 27.277 0.08 . . . . . . . 174 GLN CB . 50831 2 464 . 1 . 1 112 112 GLN N N 15 116.771 0.03 . . . . . . . 174 GLN N . 50831 2 465 . 1 . 1 113 113 LYS H H 1 6.487 0.01 . . . . . . . 175 LYS H . 50831 2 466 . 1 . 1 113 113 LYS C C 13 179.019 0.00 . . . . . . . 175 LYS CO . 50831 2 467 . 1 . 1 113 113 LYS CA C 13 58.219 0.05 . . . . . . . 175 LYS CA . 50831 2 468 . 1 . 1 113 113 LYS CB C 13 30.533 0.08 . . . . . . . 175 LYS CB . 50831 2 469 . 1 . 1 113 113 LYS N N 15 117.418 0.03 . . . . . . . 175 LYS N . 50831 2 470 . 1 . 1 114 114 LEU H H 1 7.438 0.00 . . . . . . . 176 LEU H . 50831 2 471 . 1 . 1 114 114 LEU CA C 13 57.711 0.00 . . . . . . . 176 LEU CA . 50831 2 472 . 1 . 1 114 114 LEU CB C 13 40.339 0.00 . . . . . . . 176 LEU CB . 50831 2 473 . 1 . 1 114 114 LEU N N 15 118.896 0.03 . . . . . . . 176 LEU N . 50831 2 474 . 1 . 1 115 115 VAL C C 13 181.712 0.00 . . . . . . . 177 VAL CO . 50831 2 475 . 1 . 1 115 115 VAL CA C 13 64.830 0.06 . . . . . . . 177 VAL CA . 50831 2 476 . 1 . 1 115 115 VAL CB C 13 31.429 0.00 . . . . . . . 177 VAL CB . 50831 2 477 . 1 . 1 116 116 GLU H H 1 8.601 0.01 . . . . . . . 178 GLU H . 50831 2 478 . 1 . 1 116 116 GLU C C 13 178.059 0.00 . . . . . . . 178 GLU CO . 50831 2 479 . 1 . 1 116 116 GLU CA C 13 58.664 0.01 . . . . . . . 178 GLU CA . 50831 2 480 . 1 . 1 116 116 GLU CB C 13 27.995 0.19 . . . . . . . 178 GLU CB . 50831 2 481 . 1 . 1 116 116 GLU N N 15 123.377 0.01 . . . . . . . 178 GLU N . 50831 2 482 . 1 . 1 117 117 HIS H H 1 7.371 0.00 . . . . . . . 179 HIS H . 50831 2 483 . 1 . 1 117 117 HIS CA C 13 55.751 0.00 . . . . . . . 179 HIS CA . 50831 2 484 . 1 . 1 117 117 HIS CB C 13 27.401 0.00 . . . . . . . 179 HIS CB . 50831 2 485 . 1 . 1 117 117 HIS N N 15 113.235 0.02 . . . . . . . 179 HIS N . 50831 2 486 . 1 . 1 119 119 VAL C C 13 175.523 0.00 . . . . . . . 181 VAL CO . 50831 2 487 . 1 . 1 119 119 VAL CA C 13 64.727 0.00 . . . . . . . 181 VAL CA . 50831 2 488 . 1 . 1 119 119 VAL CB C 13 31.237 0.24 . . . . . . . 181 VAL CB . 50831 2 489 . 1 . 1 120 120 ILE H H 1 6.607 0.00 . . . . . . . 182 ILE H . 50831 2 490 . 1 . 1 120 120 ILE CA C 13 56.476 0.00 . . . . . . . 182 ILE CA . 50831 2 491 . 1 . 1 120 120 ILE CB C 13 39.612 0.00 . . . . . . . 182 ILE CB . 50831 2 492 . 1 . 1 120 120 ILE N N 15 108.705 0.01 . . . . . . . 182 ILE N . 50831 2 493 . 1 . 1 121 121 PRO C C 13 176.585 0.00 . . . . . . . 183 PRO CO . 50831 2 494 . 1 . 1 121 121 PRO CA C 13 61.189 0.00 . . . . . . . 183 PRO CA . 50831 2 495 . 1 . 1 121 121 PRO CB C 13 31.495 0.03 . . . . . . . 183 PRO CB . 50831 2 496 . 1 . 1 122 122 GLU H H 1 8.576 0.00 . . . . . . . 184 GLU H . 50831 2 497 . 1 . 1 122 122 GLU C C 13 177.686 0.00 . . . . . . . 184 GLU CO . 50831 2 498 . 1 . 1 122 122 GLU CA C 13 57.017 0.01 . . . . . . . 184 GLU CA . 50831 2 499 . 1 . 1 122 122 GLU CB C 13 28.292 0.01 . . . . . . . 184 GLU CB . 50831 2 500 . 1 . 1 122 122 GLU N N 15 121.941 0.01 . . . . . . . 184 GLU N . 50831 2 501 . 1 . 1 123 123 GLY H H 1 8.954 0.00 . . . . . . . 185 GLY H . 50831 2 502 . 1 . 1 123 123 GLY C C 13 173.366 0.00 . . . . . . . 185 GLY CO . 50831 2 503 . 1 . 1 123 123 GLY CA C 13 45.264 0.04 . . . . . . . 185 GLY CA . 50831 2 504 . 1 . 1 123 123 GLY N N 15 115.212 0.01 . . . . . . . 185 GLY N . 50831 2 505 . 1 . 1 124 124 PHE H H 1 7.697 0.00 . . . . . . . 186 PHE H . 50831 2 506 . 1 . 1 124 124 PHE C C 13 175.292 0.00 . . . . . . . 186 PHE CO . 50831 2 507 . 1 . 1 124 124 PHE CA C 13 59.946 0.01 . . . . . . . 186 PHE CA . 50831 2 508 . 1 . 1 124 124 PHE CB C 13 41.006 0.07 . . . . . . . 186 PHE CB . 50831 2 509 . 1 . 1 124 124 PHE N N 15 122.293 0.01 . . . . . . . 186 PHE N . 50831 2 510 . 1 . 1 125 125 VAL H H 1 7.967 0.00 . . . . . . . 187 VAL H . 50831 2 511 . 1 . 1 125 125 VAL C C 13 176.936 0.00 . . . . . . . 187 VAL CO . 50831 2 512 . 1 . 1 125 125 VAL CA C 13 63.743 0.02 . . . . . . . 187 VAL CA . 50831 2 513 . 1 . 1 125 125 VAL CB C 13 31.719 0.08 . . . . . . . 187 VAL CB . 50831 2 514 . 1 . 1 125 125 VAL N N 15 115.204 0.03 . . . . . . . 187 VAL N . 50831 2 515 . 1 . 1 126 126 ASN H H 1 8.408 0.01 . . . . . . . 188 ASN H . 50831 2 516 . 1 . 1 126 126 ASN C C 13 174.083 0.00 . . . . . . . 188 ASN CO . 50831 2 517 . 1 . 1 126 126 ASN CA C 13 52.172 0.02 . . . . . . . 188 ASN CA . 50831 2 518 . 1 . 1 126 126 ASN CB C 13 38.472 0.01 . . . . . . . 188 ASN CB . 50831 2 519 . 1 . 1 126 126 ASN N N 15 123.623 0.02 . . . . . . . 188 ASN N . 50831 2 520 . 1 . 1 127 127 SER H H 1 8.027 0.00 . . . . . . . 189 SER H . 50831 2 521 . 1 . 1 127 127 SER C C 13 172.001 0.00 . . . . . . . 189 SER CO . 50831 2 522 . 1 . 1 127 127 SER CA C 13 56.347 0.02 . . . . . . . 189 SER CA . 50831 2 523 . 1 . 1 127 127 SER CB C 13 64.047 0.09 . . . . . . . 189 SER CB . 50831 2 524 . 1 . 1 127 127 SER N N 15 115.052 0.01 . . . . . . . 189 SER N . 50831 2 525 . 1 . 1 128 128 ALA H H 1 9.103 0.00 . . . . . . . 190 ALA H . 50831 2 526 . 1 . 1 128 128 ALA C C 13 174.221 0.00 . . . . . . . 190 ALA CO . 50831 2 527 . 1 . 1 128 128 ALA CA C 13 49.597 0.02 . . . . . . . 190 ALA CA . 50831 2 528 . 1 . 1 128 128 ALA CB C 13 20.369 0.06 . . . . . . . 190 ALA CB . 50831 2 529 . 1 . 1 128 128 ALA N N 15 131.262 0.02 . . . . . . . 190 ALA N . 50831 2 530 . 1 . 1 129 129 VAL H H 1 8.963 0.00 . . . . . . . 191 VAL H . 50831 2 531 . 1 . 1 129 129 VAL CA C 13 59.082 0.00 . . . . . . . 191 VAL CA . 50831 2 532 . 1 . 1 129 129 VAL CB C 13 34.042 0.00 . . . . . . . 191 VAL CB . 50831 2 533 . 1 . 1 129 129 VAL N N 15 122.383 0.02 . . . . . . . 191 VAL N . 50831 2 534 . 1 . 1 130 130 ILE C C 13 173.772 0.00 . . . . . . . 192 ILE CO . 50831 2 535 . 1 . 1 131 131 ASN H H 1 7.891 0.00 . . . . . . . 193 ASN H . 50831 2 536 . 1 . 1 131 131 ASN C C 13 172.699 0.00 . . . . . . . 193 ASN CO . 50831 2 537 . 1 . 1 131 131 ASN CA C 13 51.886 0.19 . . . . . . . 193 ASN CA . 50831 2 538 . 1 . 1 131 131 ASN CB C 13 34.346 0.00 . . . . . . . 193 ASN CB . 50831 2 539 . 1 . 1 131 131 ASN N N 15 124.079 0.02 . . . . . . . 193 ASN N . 50831 2 540 . 1 . 1 132 132 ASP H H 1 9.148 0.00 . . . . . . . 194 ASP H . 50831 2 541 . 1 . 1 132 132 ASP C C 13 175.251 0.00 . . . . . . . 194 ASP CO . 50831 2 542 . 1 . 1 132 132 ASP CA C 13 53.008 0.10 . . . . . . . 194 ASP CA . 50831 2 543 . 1 . 1 132 132 ASP CB C 13 42.505 0.04 . . . . . . . 194 ASP CB . 50831 2 544 . 1 . 1 132 132 ASP N N 15 125.422 0.01 . . . . . . . 194 ASP N . 50831 2 545 . 1 . 1 133 133 TYR H H 1 9.736 0.00 . . . . . . . 195 TYR H . 50831 2 546 . 1 . 1 133 133 TYR C C 13 176.251 0.00 . . . . . . . 195 TYR CO . 50831 2 547 . 1 . 1 133 133 TYR CA C 13 57.159 0.16 . . . . . . . 195 TYR CA . 50831 2 548 . 1 . 1 133 133 TYR CB C 13 40.993 0.01 . . . . . . . 195 TYR CB . 50831 2 549 . 1 . 1 133 133 TYR N N 15 127.539 0.02 . . . . . . . 195 TYR N . 50831 2 550 . 1 . 1 134 134 GLN H H 1 8.268 0.00 . . . . . . . 196 GLN H . 50831 2 551 . 1 . 1 134 134 GLN CA C 13 54.109 0.00 . . . . . . . 196 GLN CA . 50831 2 552 . 1 . 1 134 134 GLN CB C 13 31.877 0.00 . . . . . . . 196 GLN CB . 50831 2 553 . 1 . 1 134 134 GLN N N 15 119.628 0.01 . . . . . . . 196 GLN N . 50831 2 554 . 1 . 1 135 135 PRO C C 13 176.786 0.00 . . . . . . . 197 PRO CO . 50831 2 555 . 1 . 1 136 136 GLY H H 1 8.270 0.00 . . . . . . . 198 GLY H . 50831 2 556 . 1 . 1 136 136 GLY CA C 13 44.686 0.00 . . . . . . . 198 GLY CA . 50831 2 557 . 1 . 1 136 136 GLY N N 15 110.165 0.01 . . . . . . . 198 GLY N . 50831 2 558 . 1 . 1 139 139 ILE C C 13 174.343 0.00 . . . . . . . 201 ILE CO . 50831 2 559 . 1 . 1 139 139 ILE CA C 13 61.353 0.00 . . . . . . . 201 ILE CA . 50831 2 560 . 1 . 1 139 139 ILE CB C 13 40.952 0.00 . . . . . . . 201 ILE CB . 50831 2 561 . 1 . 1 140 140 VAL H H 1 8.971 0.01 . . . . . . . 202 VAL H . 50831 2 562 . 1 . 1 140 140 VAL C C 13 173.263 0.00 . . . . . . . 202 VAL CO . 50831 2 563 . 1 . 1 140 140 VAL CA C 13 63.176 0.06 . . . . . . . 202 VAL CA . 50831 2 564 . 1 . 1 140 140 VAL CB C 13 30.091 0.09 . . . . . . . 202 VAL CB . 50831 2 565 . 1 . 1 140 140 VAL N N 15 129.115 0.04 . . . . . . . 202 VAL N . 50831 2 566 . 1 . 1 141 141 SER H H 1 5.995 0.01 . . . . . . . 203 SER H . 50831 2 567 . 1 . 1 141 141 SER C C 13 170.825 0.00 . . . . . . . 203 SER CO . 50831 2 568 . 1 . 1 141 141 SER CA C 13 56.761 0.02 . . . . . . . 203 SER CA . 50831 2 569 . 1 . 1 141 141 SER CB C 13 63.978 0.00 . . . . . . . 203 SER CB . 50831 2 570 . 1 . 1 141 141 SER N N 15 118.064 0.03 . . . . . . . 203 SER N . 50831 2 571 . 1 . 1 142 142 HIS H H 1 7.619 0.00 . . . . . . . 204 HIS H . 50831 2 572 . 1 . 1 142 142 HIS C C 13 170.450 0.00 . . . . . . . 204 HIS CO . 50831 2 573 . 1 . 1 142 142 HIS CA C 13 55.608 0.02 . . . . . . . 204 HIS CA . 50831 2 574 . 1 . 1 142 142 HIS CB C 13 27.986 0.03 . . . . . . . 204 HIS CB . 50831 2 575 . 1 . 1 142 142 HIS N N 15 116.001 0.01 . . . . . . . 204 HIS N . 50831 2 576 . 1 . 1 143 143 VAL H H 1 8.842 0.01 . . . . . . . 205 VAL H . 50831 2 577 . 1 . 1 143 143 VAL CA C 13 60.497 0.00 . . . . . . . 205 VAL CA . 50831 2 578 . 1 . 1 143 143 VAL CB C 13 33.198 0.00 . . . . . . . 205 VAL CB . 50831 2 579 . 1 . 1 143 143 VAL N N 15 121.981 0.02 . . . . . . . 205 VAL N . 50831 2 580 . 1 . 1 145 145 PRO C C 13 178.916 0.00 . . . . . . . 207 PRO CO . 50831 2 581 . 1 . 1 145 145 PRO CA C 13 64.521 0.00 . . . . . . . 207 PRO CA . 50831 2 582 . 1 . 1 145 145 PRO CB C 13 32.386 0.03 . . . . . . . 207 PRO CB . 50831 2 583 . 1 . 1 146 146 ILE H H 1 9.053 0.00 . . . . . . . 208 ILE H . 50831 2 584 . 1 . 1 146 146 ILE C C 13 176.075 0.00 . . . . . . . 208 ILE CO . 50831 2 585 . 1 . 1 146 146 ILE CA C 13 62.994 0.02 . . . . . . . 208 ILE CA . 50831 2 586 . 1 . 1 146 146 ILE CB C 13 38.344 0.02 . . . . . . . 208 ILE CB . 50831 2 587 . 1 . 1 146 146 ILE N N 15 130.549 0.03 . . . . . . . 208 ILE N . 50831 2 588 . 1 . 1 147 147 HIS H H 1 8.257 0.01 . . . . . . . 209 HIS H . 50831 2 589 . 1 . 1 147 147 HIS C C 13 174.488 0.00 . . . . . . . 209 HIS CO . 50831 2 590 . 1 . 1 147 147 HIS CA C 13 56.654 0.04 . . . . . . . 209 HIS CA . 50831 2 591 . 1 . 1 147 147 HIS CB C 13 28.690 0.02 . . . . . . . 209 HIS CB . 50831 2 592 . 1 . 1 147 147 HIS N N 15 116.474 0.01 . . . . . . . 209 HIS N . 50831 2 593 . 1 . 1 148 148 ILE H H 1 6.299 0.01 . . . . . . . 210 ILE H . 50831 2 594 . 1 . 1 148 148 ILE CA C 13 60.322 0.00 . . . . . . . 210 ILE CA . 50831 2 595 . 1 . 1 148 148 ILE CB C 13 37.988 0.00 . . . . . . . 210 ILE CB . 50831 2 596 . 1 . 1 148 148 ILE N N 15 115.892 0.02 . . . . . . . 210 ILE N . 50831 2 597 . 1 . 1 150 150 GLU C C 13 172.317 0.00 . . . . . . . 212 GLU CO . 50831 2 598 . 1 . 1 150 150 GLU CA C 13 55.730 0.02 . . . . . . . 212 GLU CA . 50831 2 599 . 1 . 1 150 150 GLU CB C 13 27.377 0.02 . . . . . . . 212 GLU CB . 50831 2 600 . 1 . 1 151 151 ARG H H 1 7.991 0.00 . . . . . . . 213 ARG H . 50831 2 601 . 1 . 1 151 151 ARG CA C 13 56.494 0.00 . . . . . . . 213 ARG CA . 50831 2 602 . 1 . 1 151 151 ARG CB C 13 25.073 0.00 . . . . . . . 213 ARG CB . 50831 2 603 . 1 . 1 151 151 ARG N N 15 115.344 0.01 . . . . . . . 213 ARG N . 50831 2 604 . 1 . 1 152 152 PRO C C 13 174.448 0.00 . . . . . . . 214 PRO CO . 50831 2 605 . 1 . 1 152 152 PRO CA C 13 61.587 0.00 . . . . . . . 214 PRO CA . 50831 2 606 . 1 . 1 152 152 PRO CB C 13 35.706 0.02 . . . . . . . 214 PRO CB . 50831 2 607 . 1 . 1 153 153 ILE H H 1 8.322 0.01 . . . . . . . 215 ILE H . 50831 2 608 . 1 . 1 153 153 ILE C C 13 175.070 0.00 . . . . . . . 215 ILE CO . 50831 2 609 . 1 . 1 153 153 ILE CA C 13 61.171 0.13 . . . . . . . 215 ILE CA . 50831 2 610 . 1 . 1 153 153 ILE CB C 13 40.152 0.14 . . . . . . . 215 ILE CB . 50831 2 611 . 1 . 1 153 153 ILE N N 15 120.404 0.03 . . . . . . . 215 ILE N . 50831 2 612 . 1 . 1 154 154 VAL H H 1 7.746 0.01 . . . . . . . 216 VAL H . 50831 2 613 . 1 . 1 154 154 VAL C C 13 173.296 0.00 . . . . . . . 216 VAL CO . 50831 2 614 . 1 . 1 154 154 VAL CA C 13 60.743 0.10 . . . . . . . 216 VAL CA . 50831 2 615 . 1 . 1 154 154 VAL CB C 13 33.474 0.00 . . . . . . . 216 VAL CB . 50831 2 616 . 1 . 1 154 154 VAL N N 15 127.110 0.01 . . . . . . . 216 VAL N . 50831 2 617 . 1 . 1 155 155 SER H H 1 9.638 0.01 . . . . . . . 217 SER H . 50831 2 618 . 1 . 1 155 155 SER C C 13 174.253 0.00 . . . . . . . 217 SER CO . 50831 2 619 . 1 . 1 155 155 SER CA C 13 54.413 0.03 . . . . . . . 217 SER CA . 50831 2 620 . 1 . 1 155 155 SER CB C 13 66.879 0.13 . . . . . . . 217 SER CB . 50831 2 621 . 1 . 1 155 155 SER N N 15 122.552 0.01 . . . . . . . 217 SER N . 50831 2 622 . 1 . 1 156 156 VAL H H 1 8.865 0.01 . . . . . . . 218 VAL H . 50831 2 623 . 1 . 1 156 156 VAL C C 13 174.667 0.00 . . . . . . . 218 VAL CO . 50831 2 624 . 1 . 1 156 156 VAL CA C 13 60.722 0.09 . . . . . . . 218 VAL CA . 50831 2 625 . 1 . 1 156 156 VAL CB C 13 32.853 0.02 . . . . . . . 218 VAL CB . 50831 2 626 . 1 . 1 156 156 VAL N N 15 122.835 0.04 . . . . . . . 218 VAL N . 50831 2 627 . 1 . 1 157 157 SER H H 1 7.136 0.01 . . . . . . . 219 SER H . 50831 2 628 . 1 . 1 157 157 SER C C 13 171.998 0.00 . . . . . . . 219 SER CO . 50831 2 629 . 1 . 1 157 157 SER CA C 13 60.678 0.06 . . . . . . . 219 SER CA . 50831 2 630 . 1 . 1 157 157 SER CB C 13 65.374 0.15 . . . . . . . 219 SER CB . 50831 2 631 . 1 . 1 157 157 SER N N 15 123.363 0.06 . . . . . . . 219 SER N . 50831 2 632 . 1 . 1 158 158 PHE H H 1 9.230 0.00 . . . . . . . 220 PHE H . 50831 2 633 . 1 . 1 158 158 PHE C C 13 175.911 0.00 . . . . . . . 220 PHE CO . 50831 2 634 . 1 . 1 158 158 PHE CA C 13 58.776 0.02 . . . . . . . 220 PHE CA . 50831 2 635 . 1 . 1 158 158 PHE CB C 13 42.624 0.03 . . . . . . . 220 PHE CB . 50831 2 636 . 1 . 1 158 158 PHE N N 15 118.468 0.02 . . . . . . . 220 PHE N . 50831 2 637 . 1 . 1 159 159 PHE H H 1 9.355 0.00 . . . . . . . 221 PHE H . 50831 2 638 . 1 . 1 159 159 PHE C C 13 176.404 0.00 . . . . . . . 221 PHE CO . 50831 2 639 . 1 . 1 159 159 PHE CA C 13 58.669 0.00 . . . . . . . 221 PHE CA . 50831 2 640 . 1 . 1 159 159 PHE CB C 13 37.411 0.04 . . . . . . . 221 PHE CB . 50831 2 641 . 1 . 1 159 159 PHE N N 15 114.809 0.02 . . . . . . . 221 PHE N . 50831 2 642 . 1 . 1 160 160 SER H H 1 8.720 0.00 . . . . . . . 222 SER H . 50831 2 643 . 1 . 1 160 160 SER C C 13 171.821 0.00 . . . . . . . 222 SER CO . 50831 2 644 . 1 . 1 160 160 SER CA C 13 57.601 0.02 . . . . . . . 222 SER CA . 50831 2 645 . 1 . 1 160 160 SER CB C 13 64.438 0.06 . . . . . . . 222 SER CB . 50831 2 646 . 1 . 1 160 160 SER N N 15 114.592 0.01 . . . . . . . 222 SER N . 50831 2 647 . 1 . 1 161 161 ASP H H 1 8.428 0.01 . . . . . . . 223 ASP H . 50831 2 648 . 1 . 1 161 161 ASP C C 13 175.675 0.00 . . . . . . . 223 ASP CO . 50831 2 649 . 1 . 1 161 161 ASP CA C 13 53.410 0.02 . . . . . . . 223 ASP CA . 50831 2 650 . 1 . 1 161 161 ASP CB C 13 40.575 0.00 . . . . . . . 223 ASP CB . 50831 2 651 . 1 . 1 161 161 ASP N N 15 120.037 0.02 . . . . . . . 223 ASP N . 50831 2 652 . 1 . 1 162 162 SER H H 1 7.963 0.01 . . . . . . . 224 SER H . 50831 2 653 . 1 . 1 162 162 SER C C 13 174.932 0.00 . . . . . . . 224 SER CO . 50831 2 654 . 1 . 1 162 162 SER CA C 13 55.670 0.09 . . . . . . . 224 SER CA . 50831 2 655 . 1 . 1 162 162 SER CB C 13 62.819 0.01 . . . . . . . 224 SER CB . 50831 2 656 . 1 . 1 162 162 SER N N 15 114.540 0.09 . . . . . . . 224 SER N . 50831 2 657 . 1 . 1 163 163 ALA H H 1 9.203 0.00 . . . . . . . 225 ALA H . 50831 2 658 . 1 . 1 163 163 ALA C C 13 173.458 0.00 . . . . . . . 225 ALA CO . 50831 2 659 . 1 . 1 163 163 ALA CA C 13 51.288 0.04 . . . . . . . 225 ALA CA . 50831 2 660 . 1 . 1 163 163 ALA CB C 13 20.228 0.06 . . . . . . . 225 ALA CB . 50831 2 661 . 1 . 1 163 163 ALA N N 15 127.863 0.02 . . . . . . . 225 ALA N . 50831 2 662 . 1 . 1 164 164 LEU H H 1 8.881 0.00 . . . . . . . 226 LEU H . 50831 2 663 . 1 . 1 164 164 LEU CA C 13 53.467 0.00 . . . . . . . 226 LEU CA . 50831 2 664 . 1 . 1 164 164 LEU CB C 13 44.626 0.00 . . . . . . . 226 LEU CB . 50831 2 665 . 1 . 1 164 164 LEU N N 15 125.652 0.01 . . . . . . . 226 LEU N . 50831 2 666 . 1 . 1 166 166 PHE C C 13 176.921 0.00 . . . . . . . 228 PHE CO . 50831 2 667 . 1 . 1 166 166 PHE CA C 13 55.639 0.01 . . . . . . . 228 PHE CA . 50831 2 668 . 1 . 1 166 166 PHE CB C 13 40.814 0.01 . . . . . . . 228 PHE CB . 50831 2 669 . 1 . 1 167 167 GLY H H 1 8.794 0.01 . . . . . . . 229 GLY H . 50831 2 670 . 1 . 1 167 167 GLY C C 13 175.755 0.00 . . . . . . . 229 GLY CO . 50831 2 671 . 1 . 1 167 167 GLY CA C 13 46.664 0.01 . . . . . . . 229 GLY CA . 50831 2 672 . 1 . 1 167 167 GLY N N 15 112.342 0.02 . . . . . . . 229 GLY N . 50831 2 673 . 1 . 1 168 168 CYS H H 1 8.358 0.00 . . . . . . . 230 CYS H . 50831 2 674 . 1 . 1 168 168 CYS C C 13 175.563 0.00 . . . . . . . 230 CYS CO . 50831 2 675 . 1 . 1 168 168 CYS CA C 13 58.508 0.10 . . . . . . . 230 CYS CA . 50831 2 676 . 1 . 1 168 168 CYS CB C 13 28.613 0.00 . . . . . . . 230 CYS CB . 50831 2 677 . 1 . 1 168 168 CYS N N 15 116.186 0.01 . . . . . . . 230 CYS N . 50831 2 678 . 1 . 1 169 169 LYS H H 1 8.263 0.00 . . . . . . . 231 LYS H . 50831 2 679 . 1 . 1 169 169 LYS C C 13 178.835 0.00 . . . . . . . 231 LYS CO . 50831 2 680 . 1 . 1 169 169 LYS CA C 13 56.385 0.06 . . . . . . . 231 LYS CA . 50831 2 681 . 1 . 1 169 169 LYS CB C 13 32.772 0.00 . . . . . . . 231 LYS CB . 50831 2 682 . 1 . 1 169 169 LYS N N 15 126.840 0.05 . . . . . . . 231 LYS N . 50831 2 683 . 1 . 1 170 170 PHE H H 1 7.980 0.01 . . . . . . . 232 PHE H . 50831 2 684 . 1 . 1 170 170 PHE C C 13 175.127 0.00 . . . . . . . 232 PHE CO . 50831 2 685 . 1 . 1 170 170 PHE CA C 13 57.309 0.13 . . . . . . . 232 PHE CA . 50831 2 686 . 1 . 1 170 170 PHE CB C 13 41.463 0.31 . . . . . . . 232 PHE CB . 50831 2 687 . 1 . 1 170 170 PHE N N 15 120.077 0.06 . . . . . . . 232 PHE N . 50831 2 688 . 1 . 1 171 171 GLN H H 1 8.877 0.01 . . . . . . . 233 GLN H . 50831 2 689 . 1 . 1 171 171 GLN C C 13 172.830 0.00 . . . . . . . 233 GLN CO . 50831 2 690 . 1 . 1 171 171 GLN CA C 13 54.613 0.74 . . . . . . . 233 GLN CA . 50831 2 691 . 1 . 1 171 171 GLN CB C 13 31.144 1.10 . . . . . . . 233 GLN CB . 50831 2 692 . 1 . 1 171 171 GLN N N 15 115.084 0.07 . . . . . . . 233 GLN N . 50831 2 693 . 1 . 1 172 172 PHE H H 1 8.127 0.00 . . . . . . . 234 PHE H . 50831 2 694 . 1 . 1 172 172 PHE CA C 13 57.428 0.00 . . . . . . . 234 PHE CA . 50831 2 695 . 1 . 1 172 172 PHE CB C 13 41.699 0.00 . . . . . . . 234 PHE CB . 50831 2 696 . 1 . 1 172 172 PHE N N 15 116.590 0.04 . . . . . . . 234 PHE N . 50831 2 697 . 1 . 1 174 174 PRO C C 13 176.613 0.00 . . . . . . . 236 PRO CO . 50831 2 698 . 1 . 1 174 174 PRO CA C 13 62.719 0.00 . . . . . . . 236 PRO CA . 50831 2 699 . 1 . 1 174 174 PRO CB C 13 34.130 0.04 . . . . . . . 236 PRO CB . 50831 2 700 . 1 . 1 175 175 ILE H H 1 8.227 0.01 . . . . . . . 237 ILE H . 50831 2 701 . 1 . 1 175 175 ILE C C 13 176.055 0.00 . . . . . . . 237 ILE CO . 50831 2 702 . 1 . 1 175 175 ILE CA C 13 62.690 0.00 . . . . . . . 237 ILE CA . 50831 2 703 . 1 . 1 175 175 ILE CB C 13 36.919 0.00 . . . . . . . 237 ILE CB . 50831 2 704 . 1 . 1 175 175 ILE N N 15 118.921 0.01 . . . . . . . 237 ILE N . 50831 2 705 . 1 . 1 176 176 ARG H H 1 8.320 0.00 . . . . . . . 238 ARG H . 50831 2 706 . 1 . 1 176 176 ARG C C 13 173.744 0.00 . . . . . . . 238 ARG CO . 50831 2 707 . 1 . 1 176 176 ARG CA C 13 54.433 0.07 . . . . . . . 238 ARG CA . 50831 2 708 . 1 . 1 176 176 ARG CB C 13 32.822 0.00 . . . . . . . 238 ARG CB . 50831 2 709 . 1 . 1 176 176 ARG N N 15 126.568 0.01 . . . . . . . 238 ARG N . 50831 2 710 . 1 . 1 177 177 VAL H H 1 8.369 0.00 . . . . . . . 239 VAL H . 50831 2 711 . 1 . 1 177 177 VAL C C 13 175.619 0.00 . . . . . . . 239 VAL CO . 50831 2 712 . 1 . 1 177 177 VAL CA C 13 59.859 0.07 . . . . . . . 239 VAL CA . 50831 2 713 . 1 . 1 177 177 VAL CB C 13 32.439 0.01 . . . . . . . 239 VAL CB . 50831 2 714 . 1 . 1 177 177 VAL N N 15 122.073 0.04 . . . . . . . 239 VAL N . 50831 2 715 . 1 . 1 178 178 SER H H 1 8.114 0.01 . . . . . . . 240 SER H . 50831 2 716 . 1 . 1 178 178 SER C C 13 173.495 0.00 . . . . . . . 240 SER CO . 50831 2 717 . 1 . 1 178 178 SER CA C 13 58.358 0.01 . . . . . . . 240 SER CA . 50831 2 718 . 1 . 1 178 178 SER CB C 13 63.333 0.04 . . . . . . . 240 SER CB . 50831 2 719 . 1 . 1 178 178 SER N N 15 123.421 0.02 . . . . . . . 240 SER N . 50831 2 720 . 1 . 1 179 179 GLU H H 1 8.319 0.01 . . . . . . . 241 GLU H . 50831 2 721 . 1 . 1 179 179 GLU CA C 13 54.153 0.00 . . . . . . . 241 GLU CA . 50831 2 722 . 1 . 1 179 179 GLU CB C 13 28.649 0.00 . . . . . . . 241 GLU CB . 50831 2 723 . 1 . 1 179 179 GLU N N 15 120.715 0.02 . . . . . . . 241 GLU N . 50831 2 724 . 1 . 1 185 185 PRO C C 13 176.991 0.00 . . . . . . . 247 PRO CO . 50831 2 725 . 1 . 1 185 185 PRO CA C 13 63.313 0.02 . . . . . . . 247 PRO CA . 50831 2 726 . 1 . 1 185 185 PRO CB C 13 30.987 0.00 . . . . . . . 247 PRO CB . 50831 2 727 . 1 . 1 186 186 VAL H H 1 8.446 0.01 . . . . . . . 248 VAL H . 50831 2 728 . 1 . 1 186 186 VAL C C 13 176.358 0.00 . . . . . . . 248 VAL CO . 50831 2 729 . 1 . 1 186 186 VAL CA C 13 59.009 0.13 . . . . . . . 248 VAL CA . 50831 2 730 . 1 . 1 186 186 VAL CB C 13 32.301 0.05 . . . . . . . 248 VAL CB . 50831 2 731 . 1 . 1 186 186 VAL N N 15 120.989 0.02 . . . . . . . 248 VAL N . 50831 2 732 . 1 . 1 187 187 ARG H H 1 8.451 0.00 . . . . . . . 249 ARG H . 50831 2 733 . 1 . 1 187 187 ARG C C 13 176.042 0.00 . . . . . . . 249 ARG CO . 50831 2 734 . 1 . 1 187 187 ARG CA C 13 55.007 0.00 . . . . . . . 249 ARG CA . 50831 2 735 . 1 . 1 187 187 ARG CB C 13 30.486 0.04 . . . . . . . 249 ARG CB . 50831 2 736 . 1 . 1 187 187 ARG N N 15 128.064 0.02 . . . . . . . 249 ARG N . 50831 2 737 . 1 . 1 188 188 ARG H H 1 8.541 0.01 . . . . . . . 250 ARG H . 50831 2 738 . 1 . 1 188 188 ARG C C 13 176.980 0.00 . . . . . . . 250 ARG CO . 50831 2 739 . 1 . 1 188 188 ARG CA C 13 57.447 0.01 . . . . . . . 250 ARG CA . 50831 2 740 . 1 . 1 188 188 ARG CB C 13 29.462 0.11 . . . . . . . 250 ARG CB . 50831 2 741 . 1 . 1 188 188 ARG N N 15 123.882 0.04 . . . . . . . 250 ARG N . 50831 2 742 . 1 . 1 189 189 GLY H H 1 9.121 0.00 . . . . . . . 251 GLY H . 50831 2 743 . 1 . 1 189 189 GLY C C 13 173.170 0.00 . . . . . . . 251 GLY CO . 50831 2 744 . 1 . 1 189 189 GLY CA C 13 45.926 0.03 . . . . . . . 251 GLY CA . 50831 2 745 . 1 . 1 189 189 GLY N N 15 117.768 0.03 . . . . . . . 251 GLY N . 50831 2 746 . 1 . 1 190 190 SER H H 1 8.154 0.01 . . . . . . . 252 SER H . 50831 2 747 . 1 . 1 190 190 SER C C 13 173.541 0.00 . . . . . . . 252 SER CO . 50831 2 748 . 1 . 1 190 190 SER CA C 13 58.409 0.15 . . . . . . . 252 SER CA . 50831 2 749 . 1 . 1 190 190 SER CB C 13 64.454 0.27 . . . . . . . 252 SER CB . 50831 2 750 . 1 . 1 190 190 SER N N 15 115.383 0.02 . . . . . . . 252 SER N . 50831 2 751 . 1 . 1 191 191 VAL H H 1 9.053 0.01 . . . . . . . 253 VAL H . 50831 2 752 . 1 . 1 191 191 VAL C C 13 174.761 0.00 . . . . . . . 253 VAL CO . 50831 2 753 . 1 . 1 191 191 VAL CA C 13 59.632 0.07 . . . . . . . 253 VAL CA . 50831 2 754 . 1 . 1 191 191 VAL CB C 13 32.888 0.04 . . . . . . . 253 VAL CB . 50831 2 755 . 1 . 1 191 191 VAL N N 15 125.173 0.04 . . . . . . . 253 VAL N . 50831 2 756 . 1 . 1 192 192 THR H H 1 9.229 0.00 . . . . . . . 254 THR H . 50831 2 757 . 1 . 1 192 192 THR C C 13 173.005 0.00 . . . . . . . 254 THR CO . 50831 2 758 . 1 . 1 192 192 THR CA C 13 62.210 0.02 . . . . . . . 254 THR CA . 50831 2 759 . 1 . 1 192 192 THR CB C 13 69.482 0.04 . . . . . . . 254 THR CB . 50831 2 760 . 1 . 1 192 192 THR N N 15 125.013 0.01 . . . . . . . 254 THR N . 50831 2 761 . 1 . 1 193 193 VAL H H 1 9.328 0.01 . . . . . . . 255 VAL H . 50831 2 762 . 1 . 1 193 193 VAL C C 13 175.486 0.00 . . . . . . . 255 VAL CO . 50831 2 763 . 1 . 1 193 193 VAL CA C 13 60.960 0.03 . . . . . . . 255 VAL CA . 50831 2 764 . 1 . 1 193 193 VAL CB C 13 32.561 0.01 . . . . . . . 255 VAL CB . 50831 2 765 . 1 . 1 193 193 VAL N N 15 128.940 0.03 . . . . . . . 255 VAL N . 50831 2 766 . 1 . 1 194 194 LEU H H 1 9.130 0.01 . . . . . . . 256 LEU H . 50831 2 767 . 1 . 1 194 194 LEU C C 13 175.273 0.00 . . . . . . . 256 LEU CO . 50831 2 768 . 1 . 1 194 194 LEU CA C 13 53.411 0.04 . . . . . . . 256 LEU CA . 50831 2 769 . 1 . 1 194 194 LEU CB C 13 43.479 0.09 . . . . . . . 256 LEU CB . 50831 2 770 . 1 . 1 194 194 LEU N N 15 127.031 0.04 . . . . . . . 256 LEU N . 50831 2 771 . 1 . 1 195 195 SER H H 1 9.222 0.01 . . . . . . . 257 SER H . 50831 2 772 . 1 . 1 195 195 SER C C 13 172.873 0.00 . . . . . . . 257 SER CO . 50831 2 773 . 1 . 1 195 195 SER CA C 13 56.667 0.01 . . . . . . . 257 SER CA . 50831 2 774 . 1 . 1 195 195 SER CB C 13 65.763 0.02 . . . . . . . 257 SER CB . 50831 2 775 . 1 . 1 195 195 SER N N 15 117.218 0.02 . . . . . . . 257 SER N . 50831 2 776 . 1 . 1 196 196 GLY H H 1 8.986 0.00 . . . . . . . 258 GLY H . 50831 2 777 . 1 . 1 196 196 GLY C C 13 175.302 0.00 . . . . . . . 258 GLY CO . 50831 2 778 . 1 . 1 196 196 GLY CA C 13 46.078 0.02 . . . . . . . 258 GLY CA . 50831 2 779 . 1 . 1 196 196 GLY N N 15 107.413 0.01 . . . . . . . 258 GLY N . 50831 2 780 . 1 . 1 197 197 TYR H H 1 8.940 0.00 . . . . . . . 259 TYR H . 50831 2 781 . 1 . 1 197 197 TYR CA C 13 61.731 0.00 . . . . . . . 259 TYR CA . 50831 2 782 . 1 . 1 197 197 TYR CB C 13 38.491 0.00 . . . . . . . 259 TYR CB . 50831 2 783 . 1 . 1 197 197 TYR N N 15 127.936 0.07 . . . . . . . 259 TYR N . 50831 2 784 . 1 . 1 200 200 ASP C C 13 177.524 0.00 . . . . . . . 262 ASP CO . 50831 2 785 . 1 . 1 200 200 ASP CA C 13 55.370 0.00 . . . . . . . 262 ASP CA . 50831 2 786 . 1 . 1 200 200 ASP CB C 13 41.617 0.08 . . . . . . . 262 ASP CB . 50831 2 787 . 1 . 1 201 201 GLU H H 1 7.871 0.00 . . . . . . . 263 GLU H . 50831 2 788 . 1 . 1 201 201 GLU C C 13 173.379 0.00 . . . . . . . 263 GLU CO . 50831 2 789 . 1 . 1 201 201 GLU CA C 13 55.263 0.01 . . . . . . . 263 GLU CA . 50831 2 790 . 1 . 1 201 201 GLU CB C 13 28.708 0.06 . . . . . . . 263 GLU CB . 50831 2 791 . 1 . 1 201 201 GLU N N 15 116.690 0.01 . . . . . . . 263 GLU N . 50831 2 792 . 1 . 1 202 202 ILE H H 1 7.097 0.00 . . . . . . . 264 ILE H . 50831 2 793 . 1 . 1 202 202 ILE C C 13 171.998 0.00 . . . . . . . 264 ILE CO . 50831 2 794 . 1 . 1 202 202 ILE CA C 13 58.660 0.01 . . . . . . . 264 ILE CA . 50831 2 795 . 1 . 1 202 202 ILE CB C 13 40.467 0.05 . . . . . . . 264 ILE CB . 50831 2 796 . 1 . 1 202 202 ILE N N 15 117.715 0.03 . . . . . . . 264 ILE N . 50831 2 797 . 1 . 1 203 203 THR H H 1 7.377 0.00 . . . . . . . 265 THR H . 50831 2 798 . 1 . 1 203 203 THR CA C 13 59.893 0.00 . . . . . . . 265 THR CA . 50831 2 799 . 1 . 1 203 203 THR CB C 13 70.932 0.00 . . . . . . . 265 THR CB . 50831 2 800 . 1 . 1 203 203 THR N N 15 115.240 0.01 . . . . . . . 265 THR N . 50831 2 801 . 1 . 1 208 208 PRO C C 13 179.600 0.00 . . . . . . . 270 PRO CO . 50831 2 802 . 1 . 1 208 208 PRO CA C 13 64.049 0.00 . . . . . . . 270 PRO CA . 50831 2 803 . 1 . 1 208 208 PRO CB C 13 30.775 0.00 . . . . . . . 270 PRO CB . 50831 2 804 . 1 . 1 209 209 GLN H H 1 9.036 0.01 . . . . . . . 271 GLN H . 50831 2 805 . 1 . 1 209 209 GLN C C 13 175.981 0.00 . . . . . . . 271 GLN CO . 50831 2 806 . 1 . 1 209 209 GLN CA C 13 56.317 0.01 . . . . . . . 271 GLN CA . 50831 2 807 . 1 . 1 209 209 GLN CB C 13 26.690 0.05 . . . . . . . 271 GLN CB . 50831 2 808 . 1 . 1 209 209 GLN N N 15 113.873 0.04 . . . . . . . 271 GLN N . 50831 2 809 . 1 . 1 210 210 ASP H H 1 7.644 0.00 . . . . . . . 272 ASP H . 50831 2 810 . 1 . 1 210 210 ASP C C 13 177.392 0.00 . . . . . . . 272 ASP CO . 50831 2 811 . 1 . 1 210 210 ASP CA C 13 54.124 0.22 . . . . . . . 272 ASP CA . 50831 2 812 . 1 . 1 210 210 ASP CB C 13 40.051 0.29 . . . . . . . 272 ASP CB . 50831 2 813 . 1 . 1 210 210 ASP N N 15 118.854 0.06 . . . . . . . 272 ASP N . 50831 2 814 . 1 . 1 211 211 ILE H H 1 7.494 0.00 . . . . . . . 273 ILE H . 50831 2 815 . 1 . 1 211 211 ILE C C 13 175.411 0.00 . . . . . . . 273 ILE CO . 50831 2 816 . 1 . 1 211 211 ILE CA C 13 58.428 0.25 . . . . . . . 273 ILE CA . 50831 2 817 . 1 . 1 211 211 ILE CB C 13 33.410 0.31 . . . . . . . 273 ILE CB . 50831 2 818 . 1 . 1 211 211 ILE N N 15 127.543 0.05 . . . . . . . 273 ILE N . 50831 2 819 . 1 . 1 212 212 LYS H H 1 8.169 0.01 . . . . . . . 274 LYS H . 50831 2 820 . 1 . 1 212 212 LYS C C 13 175.821 0.00 . . . . . . . 274 LYS CO . 50831 2 821 . 1 . 1 212 212 LYS CA C 13 56.377 0.02 . . . . . . . 274 LYS CA . 50831 2 822 . 1 . 1 212 212 LYS CB C 13 32.507 0.03 . . . . . . . 274 LYS CB . 50831 2 823 . 1 . 1 212 212 LYS N N 15 126.492 0.05 . . . . . . . 274 LYS N . 50831 2 824 . 1 . 1 213 213 GLU H H 1 7.682 0.01 . . . . . . . 275 GLU H . 50831 2 825 . 1 . 1 213 213 GLU C C 13 172.802 0.00 . . . . . . . 275 GLU CO . 50831 2 826 . 1 . 1 213 213 GLU CA C 13 53.252 0.01 . . . . . . . 275 GLU CA . 50831 2 827 . 1 . 1 213 213 GLU CB C 13 32.356 0.03 . . . . . . . 275 GLU CB . 50831 2 828 . 1 . 1 213 213 GLU N N 15 117.318 0.14 . . . . . . . 275 GLU N . 50831 2 829 . 1 . 1 214 214 ARG H H 1 8.315 0.00 . . . . . . . 276 ARG H . 50831 2 830 . 1 . 1 214 214 ARG C C 13 176.769 0.00 . . . . . . . 276 ARG CO . 50831 2 831 . 1 . 1 214 214 ARG CA C 13 56.972 0.04 . . . . . . . 276 ARG CA . 50831 2 832 . 1 . 1 214 214 ARG CB C 13 28.699 0.00 . . . . . . . 276 ARG CB . 50831 2 833 . 1 . 1 214 214 ARG N N 15 119.759 0.02 . . . . . . . 276 ARG N . 50831 2 834 . 1 . 1 215 215 ARG H H 1 8.517 0.01 . . . . . . . 277 ARG H . 50831 2 835 . 1 . 1 215 215 ARG C C 13 172.667 0.00 . . . . . . . 277 ARG CO . 50831 2 836 . 1 . 1 215 215 ARG CA C 13 54.815 0.00 . . . . . . . 277 ARG CA . 50831 2 837 . 1 . 1 215 215 ARG CB C 13 33.033 0.00 . . . . . . . 277 ARG CB . 50831 2 838 . 1 . 1 215 215 ARG N N 15 129.209 0.05 . . . . . . . 277 ARG N . 50831 2 839 . 1 . 1 216 216 ALA H H 1 7.988 0.01 . . . . . . . 278 ALA H . 50831 2 840 . 1 . 1 216 216 ALA CA C 13 50.101 0.00 . . . . . . . 278 ALA CA . 50831 2 841 . 1 . 1 216 216 ALA CB C 13 22.696 0.00 . . . . . . . 278 ALA CB . 50831 2 842 . 1 . 1 216 216 ALA N N 15 125.128 0.03 . . . . . . . 278 ALA N . 50831 2 843 . 1 . 1 217 217 VAL C C 13 173.918 0.00 . . . . . . . 279 VAL CO . 50831 2 844 . 1 . 1 217 217 VAL CA C 13 58.336 0.00 . . . . . . . 279 VAL CA . 50831 2 845 . 1 . 1 218 218 ILE H H 1 9.304 0.01 . . . . . . . 280 ILE H . 50831 2 846 . 1 . 1 218 218 ILE C C 13 174.162 0.00 . . . . . . . 280 ILE CO . 50831 2 847 . 1 . 1 218 218 ILE CA C 13 60.273 0.04 . . . . . . . 280 ILE CA . 50831 2 848 . 1 . 1 218 218 ILE CB C 13 38.880 0.01 . . . . . . . 280 ILE CB . 50831 2 849 . 1 . 1 218 218 ILE N N 15 126.747 0.03 . . . . . . . 280 ILE N . 50831 2 850 . 1 . 1 219 219 ILE H H 1 9.553 0.01 . . . . . . . 281 ILE H . 50831 2 851 . 1 . 1 219 219 ILE C C 13 175.769 0.00 . . . . . . . 281 ILE CO . 50831 2 852 . 1 . 1 219 219 ILE CA C 13 58.586 0.02 . . . . . . . 281 ILE CA . 50831 2 853 . 1 . 1 219 219 ILE CB C 13 36.313 0.00 . . . . . . . 281 ILE CB . 50831 2 854 . 1 . 1 219 219 ILE N N 15 128.942 0.02 . . . . . . . 281 ILE N . 50831 2 855 . 1 . 1 220 220 LEU H H 1 9.799 0.00 . . . . . . . 282 LEU H . 50831 2 856 . 1 . 1 220 220 LEU C C 13 174.321 0.00 . . . . . . . 282 LEU CO . 50831 2 857 . 1 . 1 220 220 LEU CA C 13 52.863 0.02 . . . . . . . 282 LEU CA . 50831 2 858 . 1 . 1 220 220 LEU CB C 13 41.038 0.09 . . . . . . . 282 LEU CB . 50831 2 859 . 1 . 1 220 220 LEU N N 15 131.543 0.02 . . . . . . . 282 LEU N . 50831 2 860 . 1 . 1 221 221 ARG H H 1 8.409 0.01 . . . . . . . 283 ARG H . 50831 2 861 . 1 . 1 221 221 ARG C C 13 174.296 0.00 . . . . . . . 283 ARG CO . 50831 2 862 . 1 . 1 221 221 ARG CA C 13 53.210 0.03 . . . . . . . 283 ARG CA . 50831 2 863 . 1 . 1 221 221 ARG CB C 13 37.152 0.04 . . . . . . . 283 ARG CB . 50831 2 864 . 1 . 1 221 221 ARG N N 15 118.198 0.04 . . . . . . . 283 ARG N . 50831 2 865 . 1 . 1 222 222 LYS H H 1 9.122 0.01 . . . . . . . 284 LYS H . 50831 2 866 . 1 . 1 222 222 LYS C C 13 177.585 0.00 . . . . . . . 284 LYS CO . 50831 2 867 . 1 . 1 222 222 LYS CA C 13 53.727 0.00 . . . . . . . 284 LYS CA . 50831 2 868 . 1 . 1 222 222 LYS CB C 13 34.006 0.04 . . . . . . . 284 LYS CB . 50831 2 869 . 1 . 1 222 222 LYS N N 15 124.712 0.03 . . . . . . . 284 LYS N . 50831 2 870 . 1 . 1 223 223 THR H H 1 9.534 0.00 . . . . . . . 285 THR H . 50831 2 871 . 1 . 1 223 223 THR C C 13 174.990 0.00 . . . . . . . 285 THR CO . 50831 2 872 . 1 . 1 223 223 THR CA C 13 60.147 0.01 . . . . . . . 285 THR CA . 50831 2 873 . 1 . 1 223 223 THR CB C 13 68.606 0.01 . . . . . . . 285 THR CB . 50831 2 874 . 1 . 1 223 223 THR N N 15 119.898 0.02 . . . . . . . 285 THR N . 50831 2 875 . 1 . 1 224 224 ARG H H 1 8.253 0.00 . . . . . . . 286 ARG H . 50831 2 876 . 1 . 1 224 224 ARG C C 13 178.944 0.00 . . . . . . . 286 ARG CO . 50831 2 877 . 1 . 1 224 224 ARG CA C 13 55.488 0.01 . . . . . . . 286 ARG CA . 50831 2 878 . 1 . 1 224 224 ARG CB C 13 30.923 0.03 . . . . . . . 286 ARG CB . 50831 2 879 . 1 . 1 224 224 ARG N N 15 121.368 0.02 . . . . . . . 286 ARG N . 50831 2 880 . 1 . 1 225 225 LEU H H 1 8.810 0.00 . . . . . . . 287 LEU H . 50831 2 881 . 1 . 1 225 225 LEU CA C 13 57.338 0.00 . . . . . . . 287 LEU CA . 50831 2 882 . 1 . 1 225 225 LEU CB C 13 40.687 0.00 . . . . . . . 287 LEU CB . 50831 2 883 . 1 . 1 225 225 LEU N N 15 126.823 0.01 . . . . . . . 287 LEU N . 50831 2 884 . 1 . 1 226 226 ASP C C 13 175.700 0.00 . . . . . . . 288 ASP CO . 50831 2 885 . 1 . 1 226 226 ASP CA C 13 51.831 0.02 . . . . . . . 288 ASP CA . 50831 2 886 . 1 . 1 226 226 ASP CB C 13 38.788 0.03 . . . . . . . 288 ASP CB . 50831 2 887 . 1 . 1 227 227 ALA H H 1 7.072 0.00 . . . . . . . 289 ALA H . 50831 2 888 . 1 . 1 227 227 ALA CA C 13 50.124 0.00 . . . . . . . 289 ALA CA . 50831 2 889 . 1 . 1 227 227 ALA CB C 13 18.360 0.00 . . . . . . . 289 ALA CB . 50831 2 890 . 1 . 1 227 227 ALA N N 15 123.266 0.01 . . . . . . . 289 ALA N . 50831 2 891 . 1 . 1 228 228 PRO C C 13 175.334 0.00 . . . . . . . 290 PRO CO . 50831 2 892 . 1 . 1 228 228 PRO CA C 13 62.210 0.01 . . . . . . . 290 PRO CA . 50831 2 893 . 1 . 1 228 228 PRO CB C 13 31.086 0.00 . . . . . . . 290 PRO CB . 50831 2 894 . 1 . 1 229 229 ARG H H 1 8.128 0.00 . . . . . . . 291 ARG H . 50831 2 895 . 1 . 1 229 229 ARG C C 13 176.956 0.00 . . . . . . . 291 ARG CO . 50831 2 896 . 1 . 1 229 229 ARG CA C 13 53.356 0.01 . . . . . . . 291 ARG CA . 50831 2 897 . 1 . 1 229 229 ARG CB C 13 32.276 0.12 . . . . . . . 291 ARG CB . 50831 2 898 . 1 . 1 229 229 ARG N N 15 119.879 0.01 . . . . . . . 291 ARG N . 50831 2 899 . 1 . 1 230 230 LEU H H 1 7.858 0.00 . . . . . . . 292 LEU H . 50831 2 900 . 1 . 1 230 230 LEU CA C 13 56.516 0.00 . . . . . . . 292 LEU CA . 50831 2 901 . 1 . 1 230 230 LEU CB C 13 42.727 0.00 . . . . . . . 292 LEU CB . 50831 2 902 . 1 . 1 230 230 LEU N N 15 127.799 0.02 . . . . . . . 292 LEU N . 50831 2 stop_ save_