data_52564 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52564 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment of the calcium-activated EndoU endoribonuclease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-23 _Entry.Accession_date 2024-07-23 _Entry.Last_release_date 2024-07-23 _Entry.Original_release_date 2024-07-23 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; This entry contains 1H, 13C and 15N backbone assignment for the calcium-activated (calcium-bound) state of the catalytic domain (135-410) of the ribonuclease EndoU from Homo sapiens. ; _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 Florian Malard . . . 0000-0003-4908-1588 52564 2 Sebastien Campagne . . . 0000-0002-0094-4760 52564 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Univ. Bordeaux, CNRS, INSERM, ARNA, UMR 5320, U1212, F-33000 Bordeaux, France' . 52564 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52564 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 753 52564 '15N chemical shifts' 251 52564 '1H chemical shifts' 251 52564 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 1 . . 2024-08-28 . original BMRB . 52564 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52564 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignment of the calcium-activated EndoU endoribonuclease ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Florian Malard . . . . 52564 1 2 Fedor Karginov . V. . . 52564 1 3 Sebastien Campagne . . . . 52564 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EndoU, endoribonuclease, calcium, allostery' 52564 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52564 _Assembly.ID 1 _Assembly.Name 'Calcium-activated EndoU' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 EndoU 1 $entity_1 . . yes native no no . . . 52564 1 2 'Ca ion, 1' 2 $entity_CA . . no native no no . . . 52564 1 3 'Ca ion, 2' 2 $entity_CA . . no native no no . . . 52564 1 4 'Ca ion, 3' 2 $entity_CA . . no native no no . . . 52564 1 5 'Ca ion, 4' 2 $entity_CA . . no native no no . . . 52564 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 9FTW . . X-ray 1.7 'Crystal structure of the molecular assembly described in the entry' . 52564 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52564 _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 ; AITKEEIQSISEKIYRADTN KAQKEDIVLNSQNCISPSET RNQVDRCPKPLFTYVNEKLF SKPTYAAFINLLNNYQRATG HGEHFSAQELAEQDAFLREI MKTAVMKELYSFLHHQNRYG SEQEFVDDLKNMWFGLYSRG NEEGDSSGFEHVFSGEVKKG KVTGFHNWIRFYLEEKEGLV DYYSHIYDGPWDSYPDVLAM QFNWDGYYKEVGSAFIGSSP EFEFALYSLCFIARPGKVCQ LSLGGYPLAVRTYTWDKSTY GNGKKYIATAYIVSST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 276 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Endoribonuclease that cleaves single-stranded RNAs at 5' of uridylates and releases a product with a 2',3'-cyclic phosphate at the 3'-end. ; 52564 1 'The UU and GU sites are more efficiently cleaved than CU and AU sites.' 52564 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 1 135 ALA . 52564 1 2 136 ILE . 52564 1 3 137 THR . 52564 1 4 138 LYS . 52564 1 5 139 GLU . 52564 1 6 140 GLU . 52564 1 7 141 ILE . 52564 1 8 142 GLN . 52564 1 9 143 SER . 52564 1 10 144 ILE . 52564 1 11 145 SER . 52564 1 12 146 GLU . 52564 1 13 147 LYS . 52564 1 14 148 ILE . 52564 1 15 149 TYR . 52564 1 16 150 ARG . 52564 1 17 151 ALA . 52564 1 18 152 ASP . 52564 1 19 153 THR . 52564 1 20 154 ASN . 52564 1 21 155 LYS . 52564 1 22 156 ALA . 52564 1 23 157 GLN . 52564 1 24 158 LYS . 52564 1 25 159 GLU . 52564 1 26 160 ASP . 52564 1 27 161 ILE . 52564 1 28 162 VAL . 52564 1 29 163 LEU . 52564 1 30 164 ASN . 52564 1 31 165 SER . 52564 1 32 166 GLN . 52564 1 33 167 ASN . 52564 1 34 168 CYS . 52564 1 35 169 ILE . 52564 1 36 170 SER . 52564 1 37 171 PRO . 52564 1 38 172 SER . 52564 1 39 173 GLU . 52564 1 40 174 THR . 52564 1 41 175 ARG . 52564 1 42 176 ASN . 52564 1 43 177 GLN . 52564 1 44 178 VAL . 52564 1 45 179 ASP . 52564 1 46 180 ARG . 52564 1 47 181 CYS . 52564 1 48 182 PRO . 52564 1 49 183 LYS . 52564 1 50 184 PRO . 52564 1 51 185 LEU . 52564 1 52 186 PHE . 52564 1 53 187 THR . 52564 1 54 188 TYR . 52564 1 55 189 VAL . 52564 1 56 190 ASN . 52564 1 57 191 GLU . 52564 1 58 192 LYS . 52564 1 59 193 LEU . 52564 1 60 194 PHE . 52564 1 61 195 SER . 52564 1 62 196 LYS . 52564 1 63 197 PRO . 52564 1 64 198 THR . 52564 1 65 199 TYR . 52564 1 66 200 ALA . 52564 1 67 201 ALA . 52564 1 68 202 PHE . 52564 1 69 203 ILE . 52564 1 70 204 ASN . 52564 1 71 205 LEU . 52564 1 72 206 LEU . 52564 1 73 207 ASN . 52564 1 74 208 ASN . 52564 1 75 209 TYR . 52564 1 76 210 GLN . 52564 1 77 211 ARG . 52564 1 78 212 ALA . 52564 1 79 213 THR . 52564 1 80 214 GLY . 52564 1 81 215 HIS . 52564 1 82 216 GLY . 52564 1 83 217 GLU . 52564 1 84 218 HIS . 52564 1 85 219 PHE . 52564 1 86 220 SER . 52564 1 87 221 ALA . 52564 1 88 222 GLN . 52564 1 89 223 GLU . 52564 1 90 224 LEU . 52564 1 91 225 ALA . 52564 1 92 226 GLU . 52564 1 93 227 GLN . 52564 1 94 228 ASP . 52564 1 95 229 ALA . 52564 1 96 230 PHE . 52564 1 97 231 LEU . 52564 1 98 232 ARG . 52564 1 99 233 GLU . 52564 1 100 234 ILE . 52564 1 101 235 MET . 52564 1 102 236 LYS . 52564 1 103 237 THR . 52564 1 104 238 ALA . 52564 1 105 239 VAL . 52564 1 106 240 MET . 52564 1 107 241 LYS . 52564 1 108 242 GLU . 52564 1 109 243 LEU . 52564 1 110 244 TYR . 52564 1 111 245 SER . 52564 1 112 246 PHE . 52564 1 113 247 LEU . 52564 1 114 248 HIS . 52564 1 115 249 HIS . 52564 1 116 250 GLN . 52564 1 117 251 ASN . 52564 1 118 252 ARG . 52564 1 119 253 TYR . 52564 1 120 254 GLY . 52564 1 121 255 SER . 52564 1 122 256 GLU . 52564 1 123 257 GLN . 52564 1 124 258 GLU . 52564 1 125 259 PHE . 52564 1 126 260 VAL . 52564 1 127 261 ASP . 52564 1 128 262 ASP . 52564 1 129 263 LEU . 52564 1 130 264 LYS . 52564 1 131 265 ASN . 52564 1 132 266 MET . 52564 1 133 267 TRP . 52564 1 134 268 PHE . 52564 1 135 269 GLY . 52564 1 136 270 LEU . 52564 1 137 271 TYR . 52564 1 138 272 SER . 52564 1 139 273 ARG . 52564 1 140 274 GLY . 52564 1 141 275 ASN . 52564 1 142 276 GLU . 52564 1 143 277 GLU . 52564 1 144 278 GLY . 52564 1 145 279 ASP . 52564 1 146 280 SER . 52564 1 147 281 SER . 52564 1 148 282 GLY . 52564 1 149 283 PHE . 52564 1 150 284 GLU . 52564 1 151 285 HIS . 52564 1 152 286 VAL . 52564 1 153 287 PHE . 52564 1 154 288 SER . 52564 1 155 289 GLY . 52564 1 156 290 GLU . 52564 1 157 291 VAL . 52564 1 158 292 LYS . 52564 1 159 293 LYS . 52564 1 160 294 GLY . 52564 1 161 295 LYS . 52564 1 162 296 VAL . 52564 1 163 297 THR . 52564 1 164 298 GLY . 52564 1 165 299 PHE . 52564 1 166 300 HIS . 52564 1 167 301 ASN . 52564 1 168 302 TRP . 52564 1 169 303 ILE . 52564 1 170 304 ARG . 52564 1 171 305 PHE . 52564 1 172 306 TYR . 52564 1 173 307 LEU . 52564 1 174 308 GLU . 52564 1 175 309 GLU . 52564 1 176 310 LYS . 52564 1 177 311 GLU . 52564 1 178 312 GLY . 52564 1 179 313 LEU . 52564 1 180 314 VAL . 52564 1 181 315 ASP . 52564 1 182 316 TYR . 52564 1 183 317 TYR . 52564 1 184 318 SER . 52564 1 185 319 HIS . 52564 1 186 320 ILE . 52564 1 187 321 TYR . 52564 1 188 322 ASP . 52564 1 189 323 GLY . 52564 1 190 324 PRO . 52564 1 191 325 TRP . 52564 1 192 326 ASP . 52564 1 193 327 SER . 52564 1 194 328 TYR . 52564 1 195 329 PRO . 52564 1 196 330 ASP . 52564 1 197 331 VAL . 52564 1 198 332 LEU . 52564 1 199 333 ALA . 52564 1 200 334 MET . 52564 1 201 335 GLN . 52564 1 202 336 PHE . 52564 1 203 337 ASN . 52564 1 204 338 TRP . 52564 1 205 339 ASP . 52564 1 206 340 GLY . 52564 1 207 341 TYR . 52564 1 208 342 TYR . 52564 1 209 343 LYS . 52564 1 210 344 GLU . 52564 1 211 345 VAL . 52564 1 212 346 GLY . 52564 1 213 347 SER . 52564 1 214 348 ALA . 52564 1 215 349 PHE . 52564 1 216 350 ILE . 52564 1 217 351 GLY . 52564 1 218 352 SER . 52564 1 219 353 SER . 52564 1 220 354 PRO . 52564 1 221 355 GLU . 52564 1 222 356 PHE . 52564 1 223 357 GLU . 52564 1 224 358 PHE . 52564 1 225 359 ALA . 52564 1 226 360 LEU . 52564 1 227 361 TYR . 52564 1 228 362 SER . 52564 1 229 363 LEU . 52564 1 230 364 CYS . 52564 1 231 365 PHE . 52564 1 232 366 ILE . 52564 1 233 367 ALA . 52564 1 234 368 ARG . 52564 1 235 369 PRO . 52564 1 236 370 GLY . 52564 1 237 371 LYS . 52564 1 238 372 VAL . 52564 1 239 373 CYS . 52564 1 240 374 GLN . 52564 1 241 375 LEU . 52564 1 242 376 SER . 52564 1 243 377 LEU . 52564 1 244 378 GLY . 52564 1 245 379 GLY . 52564 1 246 380 TYR . 52564 1 247 381 PRO . 52564 1 248 382 LEU . 52564 1 249 383 ALA . 52564 1 250 384 VAL . 52564 1 251 385 ARG . 52564 1 252 386 THR . 52564 1 253 387 TYR . 52564 1 254 388 THR . 52564 1 255 389 TRP . 52564 1 256 390 ASP . 52564 1 257 391 LYS . 52564 1 258 392 SER . 52564 1 259 393 THR . 52564 1 260 394 TYR . 52564 1 261 395 GLY . 52564 1 262 396 ASN . 52564 1 263 397 GLY . 52564 1 264 398 LYS . 52564 1 265 399 LYS . 52564 1 266 400 TYR . 52564 1 267 401 ILE . 52564 1 268 402 ALA . 52564 1 269 403 THR . 52564 1 270 404 ALA . 52564 1 271 405 TYR . 52564 1 272 406 ILE . 52564 1 273 407 VAL . 52564 1 274 408 SER . 52564 1 275 409 SER . 52564 1 276 410 THR . 52564 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 . ALA 1 1 52564 1 . ILE 2 2 52564 1 . THR 3 3 52564 1 . LYS 4 4 52564 1 . GLU 5 5 52564 1 . GLU 6 6 52564 1 . ILE 7 7 52564 1 . GLN 8 8 52564 1 . SER 9 9 52564 1 . ILE 10 10 52564 1 . SER 11 11 52564 1 . GLU 12 12 52564 1 . LYS 13 13 52564 1 . ILE 14 14 52564 1 . TYR 15 15 52564 1 . ARG 16 16 52564 1 . ALA 17 17 52564 1 . ASP 18 18 52564 1 . THR 19 19 52564 1 . ASN 20 20 52564 1 . LYS 21 21 52564 1 . ALA 22 22 52564 1 . GLN 23 23 52564 1 . LYS 24 24 52564 1 . GLU 25 25 52564 1 . ASP 26 26 52564 1 . ILE 27 27 52564 1 . VAL 28 28 52564 1 . LEU 29 29 52564 1 . ASN 30 30 52564 1 . SER 31 31 52564 1 . GLN 32 32 52564 1 . ASN 33 33 52564 1 . CYS 34 34 52564 1 . ILE 35 35 52564 1 . SER 36 36 52564 1 . PRO 37 37 52564 1 . SER 38 38 52564 1 . GLU 39 39 52564 1 . THR 40 40 52564 1 . ARG 41 41 52564 1 . ASN 42 42 52564 1 . GLN 43 43 52564 1 . VAL 44 44 52564 1 . ASP 45 45 52564 1 . ARG 46 46 52564 1 . CYS 47 47 52564 1 . PRO 48 48 52564 1 . LYS 49 49 52564 1 . PRO 50 50 52564 1 . LEU 51 51 52564 1 . PHE 52 52 52564 1 . THR 53 53 52564 1 . TYR 54 54 52564 1 . VAL 55 55 52564 1 . ASN 56 56 52564 1 . GLU 57 57 52564 1 . LYS 58 58 52564 1 . LEU 59 59 52564 1 . PHE 60 60 52564 1 . SER 61 61 52564 1 . LYS 62 62 52564 1 . PRO 63 63 52564 1 . THR 64 64 52564 1 . TYR 65 65 52564 1 . ALA 66 66 52564 1 . ALA 67 67 52564 1 . PHE 68 68 52564 1 . ILE 69 69 52564 1 . ASN 70 70 52564 1 . LEU 71 71 52564 1 . LEU 72 72 52564 1 . ASN 73 73 52564 1 . ASN 74 74 52564 1 . TYR 75 75 52564 1 . GLN 76 76 52564 1 . ARG 77 77 52564 1 . ALA 78 78 52564 1 . THR 79 79 52564 1 . GLY 80 80 52564 1 . HIS 81 81 52564 1 . GLY 82 82 52564 1 . GLU 83 83 52564 1 . HIS 84 84 52564 1 . PHE 85 85 52564 1 . SER 86 86 52564 1 . ALA 87 87 52564 1 . GLN 88 88 52564 1 . GLU 89 89 52564 1 . LEU 90 90 52564 1 . ALA 91 91 52564 1 . GLU 92 92 52564 1 . GLN 93 93 52564 1 . ASP 94 94 52564 1 . ALA 95 95 52564 1 . PHE 96 96 52564 1 . LEU 97 97 52564 1 . ARG 98 98 52564 1 . GLU 99 99 52564 1 . ILE 100 100 52564 1 . MET 101 101 52564 1 . LYS 102 102 52564 1 . THR 103 103 52564 1 . ALA 104 104 52564 1 . VAL 105 105 52564 1 . MET 106 106 52564 1 . LYS 107 107 52564 1 . GLU 108 108 52564 1 . LEU 109 109 52564 1 . TYR 110 110 52564 1 . SER 111 111 52564 1 . PHE 112 112 52564 1 . LEU 113 113 52564 1 . HIS 114 114 52564 1 . HIS 115 115 52564 1 . GLN 116 116 52564 1 . ASN 117 117 52564 1 . ARG 118 118 52564 1 . TYR 119 119 52564 1 . GLY 120 120 52564 1 . SER 121 121 52564 1 . GLU 122 122 52564 1 . GLN 123 123 52564 1 . GLU 124 124 52564 1 . PHE 125 125 52564 1 . VAL 126 126 52564 1 . ASP 127 127 52564 1 . ASP 128 128 52564 1 . LEU 129 129 52564 1 . LYS 130 130 52564 1 . ASN 131 131 52564 1 . MET 132 132 52564 1 . TRP 133 133 52564 1 . PHE 134 134 52564 1 . GLY 135 135 52564 1 . LEU 136 136 52564 1 . TYR 137 137 52564 1 . SER 138 138 52564 1 . ARG 139 139 52564 1 . GLY 140 140 52564 1 . ASN 141 141 52564 1 . GLU 142 142 52564 1 . GLU 143 143 52564 1 . GLY 144 144 52564 1 . ASP 145 145 52564 1 . SER 146 146 52564 1 . SER 147 147 52564 1 . GLY 148 148 52564 1 . PHE 149 149 52564 1 . GLU 150 150 52564 1 . HIS 151 151 52564 1 . VAL 152 152 52564 1 . PHE 153 153 52564 1 . SER 154 154 52564 1 . GLY 155 155 52564 1 . GLU 156 156 52564 1 . VAL 157 157 52564 1 . LYS 158 158 52564 1 . LYS 159 159 52564 1 . GLY 160 160 52564 1 . LYS 161 161 52564 1 . VAL 162 162 52564 1 . THR 163 163 52564 1 . GLY 164 164 52564 1 . PHE 165 165 52564 1 . HIS 166 166 52564 1 . ASN 167 167 52564 1 . TRP 168 168 52564 1 . ILE 169 169 52564 1 . ARG 170 170 52564 1 . PHE 171 171 52564 1 . TYR 172 172 52564 1 . LEU 173 173 52564 1 . GLU 174 174 52564 1 . GLU 175 175 52564 1 . LYS 176 176 52564 1 . GLU 177 177 52564 1 . GLY 178 178 52564 1 . LEU 179 179 52564 1 . VAL 180 180 52564 1 . ASP 181 181 52564 1 . TYR 182 182 52564 1 . TYR 183 183 52564 1 . SER 184 184 52564 1 . HIS 185 185 52564 1 . ILE 186 186 52564 1 . TYR 187 187 52564 1 . ASP 188 188 52564 1 . GLY 189 189 52564 1 . PRO 190 190 52564 1 . TRP 191 191 52564 1 . ASP 192 192 52564 1 . SER 193 193 52564 1 . TYR 194 194 52564 1 . PRO 195 195 52564 1 . ASP 196 196 52564 1 . VAL 197 197 52564 1 . LEU 198 198 52564 1 . ALA 199 199 52564 1 . MET 200 200 52564 1 . GLN 201 201 52564 1 . PHE 202 202 52564 1 . ASN 203 203 52564 1 . TRP 204 204 52564 1 . ASP 205 205 52564 1 . GLY 206 206 52564 1 . TYR 207 207 52564 1 . TYR 208 208 52564 1 . LYS 209 209 52564 1 . GLU 210 210 52564 1 . VAL 211 211 52564 1 . GLY 212 212 52564 1 . SER 213 213 52564 1 . ALA 214 214 52564 1 . PHE 215 215 52564 1 . ILE 216 216 52564 1 . GLY 217 217 52564 1 . SER 218 218 52564 1 . SER 219 219 52564 1 . PRO 220 220 52564 1 . GLU 221 221 52564 1 . PHE 222 222 52564 1 . GLU 223 223 52564 1 . PHE 224 224 52564 1 . ALA 225 225 52564 1 . LEU 226 226 52564 1 . TYR 227 227 52564 1 . SER 228 228 52564 1 . LEU 229 229 52564 1 . CYS 230 230 52564 1 . PHE 231 231 52564 1 . ILE 232 232 52564 1 . ALA 233 233 52564 1 . ARG 234 234 52564 1 . PRO 235 235 52564 1 . GLY 236 236 52564 1 . LYS 237 237 52564 1 . VAL 238 238 52564 1 . CYS 239 239 52564 1 . GLN 240 240 52564 1 . LEU 241 241 52564 1 . SER 242 242 52564 1 . LEU 243 243 52564 1 . GLY 244 244 52564 1 . GLY 245 245 52564 1 . TYR 246 246 52564 1 . PRO 247 247 52564 1 . LEU 248 248 52564 1 . ALA 249 249 52564 1 . VAL 250 250 52564 1 . ARG 251 251 52564 1 . THR 252 252 52564 1 . TYR 253 253 52564 1 . THR 254 254 52564 1 . TRP 255 255 52564 1 . ASP 256 256 52564 1 . LYS 257 257 52564 1 . SER 258 258 52564 1 . THR 259 259 52564 1 . TYR 260 260 52564 1 . GLY 261 261 52564 1 . ASN 262 262 52564 1 . GLY 263 263 52564 1 . LYS 264 264 52564 1 . LYS 265 265 52564 1 . TYR 266 266 52564 1 . ILE 267 267 52564 1 . ALA 268 268 52564 1 . THR 269 269 52564 1 . ALA 270 270 52564 1 . TYR 271 271 52564 1 . ILE 272 272 52564 1 . VAL 273 273 52564 1 . SER 274 274 52564 1 . SER 275 275 52564 1 . THR 276 276 52564 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 52564 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _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 40.078 _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 'CALCIUM ION' BMRB 52564 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 52564 2 CA 'Three letter code' 52564 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 CA $chem_comp_CA 52564 2 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 52564 _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 . . . . . . . . . . . . . 52564 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 52564 _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 'BL21 DE3 pLysY' . . plasmid . . pET24b(+) . . . 52564 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 52564 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _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 CA _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/Ca/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 Ca _Chem_comp.Formula_weight 40.078 _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 52564 CA InChI=1S/Ca/q+2 InChI InChI 1.03 52564 CA [Ca++] SMILES CACTVS 3.341 52564 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 52564 CA [Ca+2] SMILES ACDLabs 10.04 52564 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 52564 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52564 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 52564 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52564 CA 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 CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 52564 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52564 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details 500uM _Sample.Aggregate_sample_number 1 _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 EndoU '[U-15N; U-13C]' . . 1 $entity_1 . . 500 . . uM . . . . 52564 1 2 TRIS 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 52564 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 2.5 . . . 52564 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 52564 1 5 'calcium chloride' 'natural abundance' . . . . . . 20 . . mM 1 . . . 52564 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 52564 _Sample_condition_list.ID 1 _Sample_condition_list.Name calcium-activation-buffer _Sample_condition_list.Details 'Minimal buffer with calcium for EndoU activation' 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' 0.1 0.005 M 52564 1 pH 7 0.1 pH 52564 1 pressure 1 0.01 atm 52564 1 temperature 308 0.1 K 52564 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52564 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52564 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52564 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52564 2 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 52564 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details 'Bruker Avance NEO spectrometer at 800 MHz, equipped with a cryogenic 5 mm TCI 1H-13C/15N/2H Z-gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52564 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 2 '2D 1H-13C SOFAST-HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 3 '2D 1H-15N SOFAST-HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 4 '3D BEST-TROSY HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 5 '3D BEST-TROSY HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 6 '3D BEST-TROSY HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 7 '3D BEST-TROSY HN(CA)CO' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 8 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 9 '3D BEST-TROSY HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 10 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52564 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52564 _Computing_platform.ID 1 _Computing_platform.Name 'IECB NMR platform' _Computing_platform.Reference_ID . _Computing_platform.Site '2 rue Robert Escarpit, 33600 Pessac, France' _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 52564 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name RefDB _Chem_shift_reference.Details ; The REREF script from SSP program (Marsh et al. 2006. Prot. Sci. 15(12)) was used to rereference chemical shifts from RefDB data (Zhang et al. 2003 J Biomol NMR 25:173-195). ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52564 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52564 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52564 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 52564 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name EndoU-Ca2+ _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 2 '2D 1H-13C SOFAST-HMQC' . . . 52564 1 3 '2D 1H-15N SOFAST-HMQC' . . . 52564 1 4 '3D BEST-TROSY HNCACB' . . . 52564 1 5 '3D BEST-TROSY HNCA' . . . 52564 1 6 '3D BEST-TROSY HNCO' . . . 52564 1 7 '3D BEST-TROSY HN(CA)CO' . . . 52564 1 8 '3D CBCA(CO)NH' . . . 52564 1 9 '3D BEST-TROSY HN(CO)CA' . . . 52564 1 10 '3D 1H-15N NOESY' . . . 52564 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 . . 52564 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 1 1 ALA H H 1 8.118 0.020 . 1 . . . . . 135 ALA H . 52564 1 2 . 1 . 1 1 1 ALA C C 13 177.200 0.3 . 1 . . . . . 135 ALA C . 52564 1 3 . 1 . 1 1 1 ALA CA C 13 52.990 0.3 . 1 . . . . . 135 ALA CA . 52564 1 4 . 1 . 1 1 1 ALA CB C 13 19.740 0.3 . 1 . . . . . 135 ALA CB . 52564 1 5 . 1 . 1 1 1 ALA N N 15 125.084 0.3 . 1 . . . . . 135 ALA N . 52564 1 6 . 1 . 1 2 2 ILE H H 1 8.354 0.020 . 1 . . . . . 136 ILE H . 52564 1 7 . 1 . 1 2 2 ILE C C 13 176.740 0.3 . 1 . . . . . 136 ILE C . 52564 1 8 . 1 . 1 2 2 ILE CA C 13 61.160 0.3 . 1 . . . . . 136 ILE CA . 52564 1 9 . 1 . 1 2 2 ILE CB C 13 39.230 0.3 . 1 . . . . . 136 ILE CB . 52564 1 10 . 1 . 1 2 2 ILE N N 15 121.568 0.3 . 1 . . . . . 136 ILE N . 52564 1 11 . 1 . 1 3 3 THR H H 1 9.217 0.020 . 1 . . . . . 137 THR H . 52564 1 12 . 1 . 1 3 3 THR C C 13 175.580 0.3 . 1 . . . . . 137 THR C . 52564 1 13 . 1 . 1 3 3 THR CA C 13 61.580 0.3 . 1 . . . . . 137 THR CA . 52564 1 14 . 1 . 1 3 3 THR CB C 13 71.940 0.3 . 1 . . . . . 137 THR CB . 52564 1 15 . 1 . 1 3 3 THR N N 15 120.301 0.3 . 1 . . . . . 137 THR N . 52564 1 16 . 1 . 1 4 4 LYS H H 1 8.934 0.020 . 1 . . . . . 138 LYS H . 52564 1 17 . 1 . 1 4 4 LYS C C 13 178.970 0.3 . 1 . . . . . 138 LYS C . 52564 1 18 . 1 . 1 4 4 LYS CA C 13 59.860 0.3 . 1 . . . . . 138 LYS CA . 52564 1 19 . 1 . 1 4 4 LYS CB C 13 32.340 0.3 . 1 . . . . . 138 LYS CB . 52564 1 20 . 1 . 1 4 4 LYS N N 15 120.989 0.3 . 1 . . . . . 138 LYS N . 52564 1 21 . 1 . 1 5 5 GLU H H 1 9.014 0.020 . 1 . . . . . 139 GLU H . 52564 1 22 . 1 . 1 5 5 GLU C C 13 180.050 0.3 . 1 . . . . . 139 GLU C . 52564 1 23 . 1 . 1 5 5 GLU CA C 13 60.760 0.3 . 1 . . . . . 139 GLU CA . 52564 1 24 . 1 . 1 5 5 GLU CB C 13 28.710 0.3 . 1 . . . . . 139 GLU CB . 52564 1 25 . 1 . 1 5 5 GLU N N 15 119.442 0.3 . 1 . . . . . 139 GLU N . 52564 1 26 . 1 . 1 6 6 GLU H H 1 7.924 0.020 . 1 . . . . . 140 GLU H . 52564 1 27 . 1 . 1 6 6 GLU C C 13 179.330 0.3 . 1 . . . . . 140 GLU C . 52564 1 28 . 1 . 1 6 6 GLU CA C 13 59.660 0.3 . 1 . . . . . 140 GLU CA . 52564 1 29 . 1 . 1 6 6 GLU CB C 13 29.690 0.3 . 1 . . . . . 140 GLU CB . 52564 1 30 . 1 . 1 6 6 GLU N N 15 121.314 0.3 . 1 . . . . . 140 GLU N . 52564 1 31 . 1 . 1 7 7 ILE H H 1 8.059 0.020 . 1 . . . . . 141 ILE H . 52564 1 32 . 1 . 1 7 7 ILE C C 13 177.430 0.3 . 1 . . . . . 141 ILE C . 52564 1 33 . 1 . 1 7 7 ILE CA C 13 65.770 0.3 . 1 . . . . . 141 ILE CA . 52564 1 34 . 1 . 1 7 7 ILE CB C 13 37.850 0.3 . 1 . . . . . 141 ILE CB . 52564 1 35 . 1 . 1 7 7 ILE N N 15 119.521 0.3 . 1 . . . . . 141 ILE N . 52564 1 36 . 1 . 1 8 8 GLN H H 1 7.815 0.020 . 1 . . . . . 142 GLN H . 52564 1 37 . 1 . 1 8 8 GLN C C 13 177.800 0.3 . 1 . . . . . 142 GLN C . 52564 1 38 . 1 . 1 8 8 GLN CA C 13 59.230 0.3 . 1 . . . . . 142 GLN CA . 52564 1 39 . 1 . 1 8 8 GLN CB C 13 27.930 0.3 . 1 . . . . . 142 GLN CB . 52564 1 40 . 1 . 1 8 8 GLN N N 15 117.506 0.3 . 1 . . . . . 142 GLN N . 52564 1 41 . 1 . 1 9 9 SER H H 1 7.812 0.020 . 1 . . . . . 143 SER H . 52564 1 42 . 1 . 1 9 9 SER C C 13 178.050 0.3 . 1 . . . . . 143 SER C . 52564 1 43 . 1 . 1 9 9 SER CA C 13 61.380 0.3 . 1 . . . . . 143 SER CA . 52564 1 44 . 1 . 1 9 9 SER CB C 13 63.000 0.3 . 1 . . . . . 143 SER CB . 52564 1 45 . 1 . 1 9 9 SER N N 15 113.664 0.3 . 1 . . . . . 143 SER N . 52564 1 46 . 1 . 1 10 10 ILE H H 1 7.998 0.020 . 1 . . . . . 144 ILE H . 52564 1 47 . 1 . 1 10 10 ILE C C 13 177.410 0.3 . 1 . . . . . 144 ILE C . 52564 1 48 . 1 . 1 10 10 ILE CA C 13 60.680 0.3 . 1 . . . . . 144 ILE CA . 52564 1 49 . 1 . 1 10 10 ILE CB C 13 36.790 0.3 . 1 . . . . . 144 ILE CB . 52564 1 50 . 1 . 1 10 10 ILE N N 15 120.099 0.3 . 1 . . . . . 144 ILE N . 52564 1 51 . 1 . 1 11 11 SER H H 1 8.713 0.020 . 1 . . . . . 145 SER H . 52564 1 52 . 1 . 1 11 11 SER C C 13 176.170 0.3 . 1 . . . . . 145 SER C . 52564 1 53 . 1 . 1 11 11 SER CA C 13 63.530 0.3 . 1 . . . . . 145 SER CA . 52564 1 54 . 1 . 1 11 11 SER CB C 13 62.440 0.3 . 1 . . . . . 145 SER CB . 52564 1 55 . 1 . 1 11 11 SER N N 15 120.094 0.3 . 1 . . . . . 145 SER N . 52564 1 56 . 1 . 1 12 12 GLU H H 1 7.464 0.020 . 1 . . . . . 146 GLU H . 52564 1 57 . 1 . 1 12 12 GLU C C 13 180.190 0.3 . 1 . . . . . 146 GLU C . 52564 1 58 . 1 . 1 12 12 GLU CA C 13 58.730 0.3 . 1 . . . . . 146 GLU CA . 52564 1 59 . 1 . 1 12 12 GLU CB C 13 29.200 0.3 . 1 . . . . . 146 GLU CB . 52564 1 60 . 1 . 1 12 12 GLU N N 15 121.475 0.3 . 1 . . . . . 146 GLU N . 52564 1 61 . 1 . 1 13 13 LYS H H 1 7.792 0.020 . 1 . . . . . 147 LYS H . 52564 1 62 . 1 . 1 13 13 LYS C C 13 180.420 0.3 . 1 . . . . . 147 LYS C . 52564 1 63 . 1 . 1 13 13 LYS CA C 13 60.600 0.3 . 1 . . . . . 147 LYS CA . 52564 1 64 . 1 . 1 13 13 LYS CB C 13 32.900 0.3 . 1 . . . . . 147 LYS CB . 52564 1 65 . 1 . 1 13 13 LYS N N 15 120.387 0.3 . 1 . . . . . 147 LYS N . 52564 1 66 . 1 . 1 14 14 ILE H H 1 8.539 0.020 . 1 . . . . . 148 ILE H . 52564 1 67 . 1 . 1 14 14 ILE C C 13 176.740 0.3 . 1 . . . . . 148 ILE C . 52564 1 68 . 1 . 1 14 14 ILE CA C 13 66.740 0.3 . 1 . . . . . 148 ILE CA . 52564 1 69 . 1 . 1 14 14 ILE CB C 13 38.170 0.3 . 1 . . . . . 148 ILE CB . 52564 1 70 . 1 . 1 14 14 ILE N N 15 120.749 0.3 . 1 . . . . . 148 ILE N . 52564 1 71 . 1 . 1 15 15 TYR H H 1 8.392 0.020 . 1 . . . . . 149 TYR H . 52564 1 72 . 1 . 1 15 15 TYR C C 13 179.020 0.3 . 1 . . . . . 149 TYR C . 52564 1 73 . 1 . 1 15 15 TYR CA C 13 62.700 0.3 . 1 . . . . . 149 TYR CA . 52564 1 74 . 1 . 1 15 15 TYR CB C 13 38.740 0.3 . 1 . . . . . 149 TYR CB . 52564 1 75 . 1 . 1 15 15 TYR N N 15 119.361 0.3 . 1 . . . . . 149 TYR N . 52564 1 76 . 1 . 1 16 16 ARG H H 1 8.473 0.020 . 1 . . . . . 150 ARG H . 52564 1 77 . 1 . 1 16 16 ARG C C 13 177.260 0.3 . 1 . . . . . 150 ARG C . 52564 1 78 . 1 . 1 16 16 ARG CA C 13 58.640 0.3 . 1 . . . . . 150 ARG CA . 52564 1 79 . 1 . 1 16 16 ARG CB C 13 30.830 0.3 . 1 . . . . . 150 ARG CB . 52564 1 80 . 1 . 1 16 16 ARG N N 15 117.248 0.3 . 1 . . . . . 150 ARG N . 52564 1 81 . 1 . 1 17 17 ALA H H 1 7.824 0.020 . 1 . . . . . 151 ALA H . 52564 1 82 . 1 . 1 17 17 ALA C C 13 177.970 0.3 . 1 . . . . . 151 ALA C . 52564 1 83 . 1 . 1 17 17 ALA CA C 13 52.160 0.3 . 1 . . . . . 151 ALA CA . 52564 1 84 . 1 . 1 17 17 ALA CB C 13 19.010 0.3 . 1 . . . . . 151 ALA CB . 52564 1 85 . 1 . 1 17 17 ALA N N 15 119.227 0.3 . 1 . . . . . 151 ALA N . 52564 1 86 . 1 . 1 18 18 ASP H H 1 6.948 0.020 . 1 . . . . . 152 ASP H . 52564 1 87 . 1 . 1 18 18 ASP C C 13 175.650 0.3 . 1 . . . . . 152 ASP C . 52564 1 88 . 1 . 1 18 18 ASP CA C 13 54.570 0.3 . 1 . . . . . 152 ASP CA . 52564 1 89 . 1 . 1 18 18 ASP CB C 13 39.800 0.3 . 1 . . . . . 152 ASP CB . 52564 1 90 . 1 . 1 18 18 ASP N N 15 118.211 0.3 . 1 . . . . . 152 ASP N . 52564 1 91 . 1 . 1 19 19 THR H H 1 8.291 0.020 . 1 . . . . . 153 THR H . 52564 1 92 . 1 . 1 19 19 THR C C 13 176.250 0.3 . 1 . . . . . 153 THR C . 52564 1 93 . 1 . 1 19 19 THR CA C 13 63.510 0.3 . 1 . . . . . 153 THR CA . 52564 1 94 . 1 . 1 19 19 THR CB C 13 69.250 0.3 . 1 . . . . . 153 THR CB . 52564 1 95 . 1 . 1 19 19 THR N N 15 118.215 0.3 . 1 . . . . . 153 THR N . 52564 1 96 . 1 . 1 20 20 ASN H H 1 8.433 0.020 . 1 . . . . . 154 ASN H . 52564 1 97 . 1 . 1 20 20 ASN C C 13 175.100 0.3 . 1 . . . . . 154 ASN C . 52564 1 98 . 1 . 1 20 20 ASN CA C 13 53.270 0.3 . 1 . . . . . 154 ASN CA . 52564 1 99 . 1 . 1 20 20 ASN CB C 13 38.340 0.3 . 1 . . . . . 154 ASN CB . 52564 1 100 . 1 . 1 20 20 ASN N N 15 116.349 0.3 . 1 . . . . . 154 ASN N . 52564 1 101 . 1 . 1 21 21 LYS H H 1 6.857 0.020 . 1 . . . . . 155 LYS H . 52564 1 102 . 1 . 1 21 21 LYS C C 13 173.970 0.3 . 1 . . . . . 155 LYS C . 52564 1 103 . 1 . 1 21 21 LYS CA C 13 56.310 0.3 . 1 . . . . . 155 LYS CA . 52564 1 104 . 1 . 1 21 21 LYS CB C 13 32.710 0.3 . 1 . . . . . 155 LYS CB . 52564 1 105 . 1 . 1 21 21 LYS N N 15 119.255 0.3 . 1 . . . . . 155 LYS N . 52564 1 106 . 1 . 1 22 22 ALA H H 1 8.163 0.020 . 1 . . . . . 156 ALA H . 52564 1 107 . 1 . 1 22 22 ALA C C 13 177.780 0.3 . 1 . . . . . 156 ALA C . 52564 1 108 . 1 . 1 22 22 ALA CA C 13 52.630 0.3 . 1 . . . . . 156 ALA CA . 52564 1 109 . 1 . 1 22 22 ALA CB C 13 19.900 0.3 . 1 . . . . . 156 ALA CB . 52564 1 110 . 1 . 1 22 22 ALA N N 15 121.868 0.3 . 1 . . . . . 156 ALA N . 52564 1 111 . 1 . 1 23 23 GLN H H 1 9.463 0.020 . 1 . . . . . 157 GLN H . 52564 1 112 . 1 . 1 23 23 GLN C C 13 178.360 0.3 . 1 . . . . . 157 GLN C . 52564 1 113 . 1 . 1 23 23 GLN CA C 13 54.370 0.3 . 1 . . . . . 157 GLN CA . 52564 1 114 . 1 . 1 23 23 GLN CB C 13 29.690 0.3 . 1 . . . . . 157 GLN CB . 52564 1 115 . 1 . 1 23 23 GLN N N 15 120.054 0.3 . 1 . . . . . 157 GLN N . 52564 1 116 . 1 . 1 24 24 LYS H H 1 8.774 0.020 . 1 . . . . . 158 LYS H . 52564 1 117 . 1 . 1 24 24 LYS C C 13 178.400 0.3 . 1 . . . . . 158 LYS C . 52564 1 118 . 1 . 1 24 24 LYS CA C 13 60.360 0.3 . 1 . . . . . 158 LYS CA . 52564 1 119 . 1 . 1 24 24 LYS CB C 13 32.300 0.3 . 1 . . . . . 158 LYS CB . 52564 1 120 . 1 . 1 24 24 LYS N N 15 122.801 0.3 . 1 . . . . . 158 LYS N . 52564 1 121 . 1 . 1 25 25 GLU H H 1 8.759 0.020 . 1 . . . . . 159 GLU H . 52564 1 122 . 1 . 1 25 25 GLU C C 13 177.470 0.3 . 1 . . . . . 159 GLU C . 52564 1 123 . 1 . 1 25 25 GLU CA C 13 57.790 0.3 . 1 . . . . . 159 GLU CA . 52564 1 124 . 1 . 1 25 25 GLU CB C 13 28.960 0.3 . 1 . . . . . 159 GLU CB . 52564 1 125 . 1 . 1 25 25 GLU N N 15 111.553 0.3 . 1 . . . . . 159 GLU N . 52564 1 126 . 1 . 1 26 26 ASP H H 1 8.034 0.020 . 1 . . . . . 160 ASP H . 52564 1 127 . 1 . 1 26 26 ASP C C 13 175.420 0.3 . 1 . . . . . 160 ASP C . 52564 1 128 . 1 . 1 26 26 ASP CA C 13 56.570 0.3 . 1 . . . . . 160 ASP CA . 52564 1 129 . 1 . 1 26 26 ASP CB C 13 43.310 0.3 . 1 . . . . . 160 ASP CB . 52564 1 130 . 1 . 1 26 26 ASP N N 15 117.004 0.3 . 1 . . . . . 160 ASP N . 52564 1 131 . 1 . 1 27 27 ILE H H 1 7.008 0.020 . 1 . . . . . 161 ILE H . 52564 1 132 . 1 . 1 27 27 ILE C C 13 176.020 0.3 . 1 . . . . . 161 ILE C . 52564 1 133 . 1 . 1 27 27 ILE CA C 13 60.490 0.3 . 1 . . . . . 161 ILE CA . 52564 1 134 . 1 . 1 27 27 ILE CB C 13 43.070 0.3 . 1 . . . . . 161 ILE CB . 52564 1 135 . 1 . 1 27 27 ILE N N 15 113.970 0.3 . 1 . . . . . 161 ILE N . 52564 1 136 . 1 . 1 28 28 VAL H H 1 9.421 0.020 . 1 . . . . . 162 VAL H . 52564 1 137 . 1 . 1 28 28 VAL C C 13 174.440 0.3 . 1 . . . . . 162 VAL C . 52564 1 138 . 1 . 1 28 28 VAL CA C 13 62.470 0.3 . 1 . . . . . 162 VAL CA . 52564 1 139 . 1 . 1 28 28 VAL CB C 13 33.160 0.3 . 1 . . . . . 162 VAL CB . 52564 1 140 . 1 . 1 28 28 VAL N N 15 129.976 0.3 . 1 . . . . . 162 VAL N . 52564 1 141 . 1 . 1 29 29 LEU H H 1 8.745 0.020 . 1 . . . . . 163 LEU H . 52564 1 142 . 1 . 1 29 29 LEU C C 13 176.720 0.3 . 1 . . . . . 163 LEU C . 52564 1 143 . 1 . 1 29 29 LEU CA C 13 53.330 0.3 . 1 . . . . . 163 LEU CA . 52564 1 144 . 1 . 1 29 29 LEU CB C 13 45.920 0.3 . 1 . . . . . 163 LEU CB . 52564 1 145 . 1 . 1 29 29 LEU N N 15 129.298 0.3 . 1 . . . . . 163 LEU N . 52564 1 146 . 1 . 1 30 30 ASN H H 1 9.697 0.020 . 1 . . . . . 164 ASN H . 52564 1 147 . 1 . 1 30 30 ASN C C 13 174.900 0.3 . 1 . . . . . 164 ASN C . 52564 1 148 . 1 . 1 30 30 ASN CA C 13 50.240 0.3 . 1 . . . . . 164 ASN CA . 52564 1 149 . 1 . 1 30 30 ASN CB C 13 37.760 0.3 . 1 . . . . . 164 ASN CB . 52564 1 150 . 1 . 1 30 30 ASN N N 15 124.314 0.3 . 1 . . . . . 164 ASN N . 52564 1 151 . 1 . 1 31 31 SER H H 1 8.785 0.020 . 1 . . . . . 165 SER H . 52564 1 152 . 1 . 1 31 31 SER C C 13 177.160 0.3 . 1 . . . . . 165 SER C . 52564 1 153 . 1 . 1 31 31 SER CA C 13 60.870 0.3 . 1 . . . . . 165 SER CA . 52564 1 154 . 1 . 1 31 31 SER CB C 13 61.790 0.3 . 1 . . . . . 165 SER CB . 52564 1 155 . 1 . 1 31 31 SER N N 15 118.382 0.3 . 1 . . . . . 165 SER N . 52564 1 156 . 1 . 1 32 32 GLN H H 1 9.018 0.020 . 1 . . . . . 166 GLN H . 52564 1 157 . 1 . 1 32 32 GLN CA C 13 58.670 0.3 . 1 . . . . . 166 GLN CA . 52564 1 158 . 1 . 1 32 32 GLN N N 15 118.081 0.3 . 1 . . . . . 166 GLN N . 52564 1 159 . 1 . 1 33 33 ASN C C 13 176.040 0.3 . 1 . . . . . 167 ASN C . 52564 1 160 . 1 . 1 33 33 ASN CA C 13 52.110 0.3 . 1 . . . . . 167 ASN CA . 52564 1 161 . 1 . 1 33 33 ASN CB C 13 43.690 0.3 . 1 . . . . . 167 ASN CB . 52564 1 162 . 1 . 1 34 34 CYS H H 1 9.522 0.020 . 1 . . . . . 168 CYS H . 52564 1 163 . 1 . 1 34 34 CYS C C 13 176.390 0.3 . 1 . . . . . 168 CYS C . 52564 1 164 . 1 . 1 34 34 CYS CA C 13 58.350 0.3 . 1 . . . . . 168 CYS CA . 52564 1 165 . 1 . 1 34 34 CYS CB C 13 40.060 0.3 . 1 . . . . . 168 CYS CB . 52564 1 166 . 1 . 1 34 34 CYS N N 15 127.380 0.3 . 1 . . . . . 168 CYS N . 52564 1 167 . 1 . 1 35 35 ILE H H 1 9.490 0.020 . 1 . . . . . 169 ILE H . 52564 1 168 . 1 . 1 35 35 ILE C C 13 176.210 0.3 . 1 . . . . . 169 ILE C . 52564 1 169 . 1 . 1 35 35 ILE CA C 13 57.630 0.3 . 1 . . . . . 169 ILE CA . 52564 1 170 . 1 . 1 35 35 ILE CB C 13 39.590 0.3 . 1 . . . . . 169 ILE CB . 52564 1 171 . 1 . 1 35 35 ILE N N 15 133.212 0.3 . 1 . . . . . 169 ILE N . 52564 1 172 . 1 . 1 36 36 SER H H 1 7.311 0.020 . 1 . . . . . 170 SER H . 52564 1 173 . 1 . 1 36 36 SER CA C 13 60.620 0.3 . 1 . . . . . 170 SER CA . 52564 1 174 . 1 . 1 36 36 SER CB C 13 63.580 0.3 . 1 . . . . . 170 SER CB . 52564 1 175 . 1 . 1 36 36 SER N N 15 107.373 0.3 . 1 . . . . . 170 SER N . 52564 1 176 . 1 . 1 37 37 PRO C C 13 178.160 0.3 . 1 . . . . . 171 PRO C . 52564 1 177 . 1 . 1 37 37 PRO CA C 13 65.710 0.3 . 1 . . . . . 171 PRO CA . 52564 1 178 . 1 . 1 37 37 PRO CB C 13 32.000 0.3 . 1 . . . . . 171 PRO CB . 52564 1 179 . 1 . 1 38 38 SER H H 1 7.951 0.020 . 1 . . . . . 172 SER H . 52564 1 180 . 1 . 1 38 38 SER C C 13 175.940 0.3 . 1 . . . . . 172 SER C . 52564 1 181 . 1 . 1 38 38 SER CA C 13 60.400 0.3 . 1 . . . . . 172 SER CA . 52564 1 182 . 1 . 1 38 38 SER CB C 13 62.960 0.3 . 1 . . . . . 172 SER CB . 52564 1 183 . 1 . 1 38 38 SER N N 15 110.257 0.3 . 1 . . . . . 172 SER N . 52564 1 184 . 1 . 1 39 39 GLU H H 1 8.049 0.020 . 1 . . . . . 173 GLU H . 52564 1 185 . 1 . 1 39 39 GLU C C 13 179.120 0.3 . 1 . . . . . 173 GLU C . 52564 1 186 . 1 . 1 39 39 GLU CA C 13 56.620 0.3 . 1 . . . . . 173 GLU CA . 52564 1 187 . 1 . 1 39 39 GLU CB C 13 31.270 0.3 . 1 . . . . . 173 GLU CB . 52564 1 188 . 1 . 1 39 39 GLU N N 15 119.339 0.3 . 1 . . . . . 173 GLU N . 52564 1 189 . 1 . 1 40 40 THR H H 1 7.687 0.020 . 1 . . . . . 174 THR H . 52564 1 190 . 1 . 1 40 40 THR C C 13 176.980 0.3 . 1 . . . . . 174 THR C . 52564 1 191 . 1 . 1 40 40 THR CA C 13 65.980 0.3 . 1 . . . . . 174 THR CA . 52564 1 192 . 1 . 1 40 40 THR CB C 13 67.860 0.3 . 1 . . . . . 174 THR CB . 52564 1 193 . 1 . 1 40 40 THR N N 15 113.091 0.3 . 1 . . . . . 174 THR N . 52564 1 194 . 1 . 1 41 41 ARG H H 1 8.035 0.020 . 1 . . . . . 175 ARG H . 52564 1 195 . 1 . 1 41 41 ARG C C 13 176.980 0.3 . 1 . . . . . 175 ARG C . 52564 1 196 . 1 . 1 41 41 ARG CA C 13 57.630 0.3 . 1 . . . . . 175 ARG CA . 52564 1 197 . 1 . 1 41 41 ARG CB C 13 29.770 0.3 . 1 . . . . . 175 ARG CB . 52564 1 198 . 1 . 1 41 41 ARG N N 15 120.077 0.3 . 1 . . . . . 175 ARG N . 52564 1 199 . 1 . 1 42 42 ASN H H 1 7.493 0.020 . 1 . . . . . 176 ASN H . 52564 1 200 . 1 . 1 42 42 ASN C C 13 174.790 0.3 . 1 . . . . . 176 ASN C . 52564 1 201 . 1 . 1 42 42 ASN CA C 13 54.570 0.3 . 1 . . . . . 176 ASN CA . 52564 1 202 . 1 . 1 42 42 ASN CB C 13 38.010 0.3 . 1 . . . . . 176 ASN CB . 52564 1 203 . 1 . 1 42 42 ASN N N 15 117.075 0.3 . 1 . . . . . 176 ASN N . 52564 1 204 . 1 . 1 43 43 GLN H H 1 7.548 0.020 . 1 . . . . . 177 GLN H . 52564 1 205 . 1 . 1 43 43 GLN C C 13 173.780 0.3 . 1 . . . . . 177 GLN C . 52564 1 206 . 1 . 1 43 43 GLN CA C 13 56.810 0.3 . 1 . . . . . 177 GLN CA . 52564 1 207 . 1 . 1 43 43 GLN N N 15 115.666 0.3 . 1 . . . . . 177 GLN N . 52564 1 208 . 1 . 1 44 44 VAL H H 1 7.732 0.020 . 1 . . . . . 178 VAL H . 52564 1 209 . 1 . 1 44 44 VAL C C 13 174.730 0.3 . 1 . . . . . 178 VAL C . 52564 1 210 . 1 . 1 44 44 VAL CA C 13 61.240 0.3 . 1 . . . . . 178 VAL CA . 52564 1 211 . 1 . 1 44 44 VAL CB C 13 34.180 0.3 . 1 . . . . . 178 VAL CB . 52564 1 212 . 1 . 1 44 44 VAL N N 15 119.218 0.3 . 1 . . . . . 178 VAL N . 52564 1 213 . 1 . 1 45 45 ASP H H 1 8.383 0.020 . 1 . . . . . 179 ASP H . 52564 1 214 . 1 . 1 45 45 ASP C C 13 176.690 0.3 . 1 . . . . . 179 ASP C . 52564 1 215 . 1 . 1 45 45 ASP CA C 13 53.910 0.3 . 1 . . . . . 179 ASP CA . 52564 1 216 . 1 . 1 45 45 ASP CB C 13 38.580 0.3 . 1 . . . . . 179 ASP CB . 52564 1 217 . 1 . 1 45 45 ASP N N 15 125.838 0.3 . 1 . . . . . 179 ASP N . 52564 1 218 . 1 . 1 46 46 ARG H H 1 8.845 0.020 . 1 . . . . . 180 ARG H . 52564 1 219 . 1 . 1 46 46 ARG C C 13 176.360 0.3 . 1 . . . . . 180 ARG C . 52564 1 220 . 1 . 1 46 46 ARG CA C 13 54.540 0.3 . 1 . . . . . 180 ARG CA . 52564 1 221 . 1 . 1 46 46 ARG CB C 13 31.810 0.3 . 1 . . . . . 180 ARG CB . 52564 1 222 . 1 . 1 46 46 ARG N N 15 126.869 0.3 . 1 . . . . . 180 ARG N . 52564 1 223 . 1 . 1 47 47 CYS H H 1 8.048 0.020 . 1 . . . . . 181 CYS H . 52564 1 224 . 1 . 1 47 47 CYS C C 13 172.110 0.3 . 1 . . . . . 181 CYS C . 52564 1 225 . 1 . 1 47 47 CYS CA C 13 56.160 0.3 . 1 . . . . . 181 CYS CA . 52564 1 226 . 1 . 1 47 47 CYS N N 15 117.994 0.3 . 1 . . . . . 181 CYS N . 52564 1 227 . 1 . 1 48 48 PRO C C 13 177.100 0.3 . 1 . . . . . 182 PRO C . 52564 1 228 . 1 . 1 48 48 PRO CA C 13 64.320 0.3 . 1 . . . . . 182 PRO CA . 52564 1 229 . 1 . 1 48 48 PRO CB C 13 32.880 0.3 . 1 . . . . . 182 PRO CB . 52564 1 230 . 1 . 1 49 49 LYS H H 1 8.079 0.020 . 1 . . . . . 183 LYS H . 52564 1 231 . 1 . 1 49 49 LYS C C 13 176.210 0.3 . 1 . . . . . 183 LYS C . 52564 1 232 . 1 . 1 49 49 LYS CA C 13 53.750 0.3 . 1 . . . . . 183 LYS CA . 52564 1 233 . 1 . 1 49 49 LYS CB C 13 31.730 0.3 . 1 . . . . . 183 LYS CB . 52564 1 234 . 1 . 1 49 49 LYS N N 15 117.975 0.3 . 1 . . . . . 183 LYS N . 52564 1 235 . 1 . 1 50 50 PRO C C 13 176.090 0.3 . 1 . . . . . 184 PRO C . 52564 1 236 . 1 . 1 50 50 PRO CA C 13 66.140 0.3 . 1 . . . . . 184 PRO CA . 52564 1 237 . 1 . 1 51 51 LEU H H 1 8.137 0.020 . 1 . . . . . 185 LEU H . 52564 1 238 . 1 . 1 51 51 LEU C C 13 177.410 0.3 . 1 . . . . . 185 LEU C . 52564 1 239 . 1 . 1 51 51 LEU CA C 13 57.410 0.3 . 1 . . . . . 185 LEU CA . 52564 1 240 . 1 . 1 51 51 LEU CB C 13 40.610 0.3 . 1 . . . . . 185 LEU CB . 52564 1 241 . 1 . 1 51 51 LEU N N 15 119.532 0.3 . 1 . . . . . 185 LEU N . 52564 1 242 . 1 . 1 52 52 PHE H H 1 8.657 0.020 . 1 . . . . . 186 PHE H . 52564 1 243 . 1 . 1 52 52 PHE C C 13 175.630 0.3 . 1 . . . . . 186 PHE C . 52564 1 244 . 1 . 1 52 52 PHE CA C 13 57.540 0.3 . 1 . . . . . 186 PHE CA . 52564 1 245 . 1 . 1 52 52 PHE CB C 13 38.880 0.3 . 1 . . . . . 186 PHE CB . 52564 1 246 . 1 . 1 52 52 PHE N N 15 114.140 0.3 . 1 . . . . . 186 PHE N . 52564 1 247 . 1 . 1 53 53 THR H H 1 8.314 0.020 . 1 . . . . . 187 THR H . 52564 1 248 . 1 . 1 53 53 THR C C 13 175.080 0.3 . 1 . . . . . 187 THR C . 52564 1 249 . 1 . 1 53 53 THR CA C 13 65.500 0.3 . 1 . . . . . 187 THR CA . 52564 1 250 . 1 . 1 53 53 THR CB C 13 69.250 0.3 . 1 . . . . . 187 THR CB . 52564 1 251 . 1 . 1 53 53 THR N N 15 123.970 0.3 . 1 . . . . . 187 THR N . 52564 1 252 . 1 . 1 54 54 TYR H H 1 7.899 0.020 . 1 . . . . . 188 TYR H . 52564 1 253 . 1 . 1 54 54 TYR C C 13 172.990 0.3 . 1 . . . . . 188 TYR C . 52564 1 254 . 1 . 1 54 54 TYR CA C 13 58.200 0.3 . 1 . . . . . 188 TYR CA . 52564 1 255 . 1 . 1 54 54 TYR CB C 13 41.840 0.3 . 1 . . . . . 188 TYR CB . 52564 1 256 . 1 . 1 54 54 TYR N N 15 118.576 0.3 . 1 . . . . . 188 TYR N . 52564 1 257 . 1 . 1 55 55 VAL H H 1 7.538 0.020 . 1 . . . . . 189 VAL H . 52564 1 258 . 1 . 1 55 55 VAL C C 13 173.780 0.3 . 1 . . . . . 189 VAL C . 52564 1 259 . 1 . 1 55 55 VAL CA C 13 60.740 0.3 . 1 . . . . . 189 VAL CA . 52564 1 260 . 1 . 1 55 55 VAL CB C 13 36.050 0.3 . 1 . . . . . 189 VAL CB . 52564 1 261 . 1 . 1 55 55 VAL N N 15 127.560 0.3 . 1 . . . . . 189 VAL N . 52564 1 262 . 1 . 1 56 56 ASN H H 1 8.490 0.020 . 1 . . . . . 190 ASN H . 52564 1 263 . 1 . 1 56 56 ASN C C 13 175.090 0.3 . 1 . . . . . 190 ASN C . 52564 1 264 . 1 . 1 56 56 ASN CA C 13 51.730 0.3 . 1 . . . . . 190 ASN CA . 52564 1 265 . 1 . 1 56 56 ASN CB C 13 37.130 0.3 . 1 . . . . . 190 ASN CB . 52564 1 266 . 1 . 1 56 56 ASN N N 15 121.843 0.3 . 1 . . . . . 190 ASN N . 52564 1 267 . 1 . 1 57 57 GLU H H 1 8.215 0.020 . 1 . . . . . 191 GLU H . 52564 1 268 . 1 . 1 57 57 GLU C C 13 178.670 0.3 . 1 . . . . . 191 GLU C . 52564 1 269 . 1 . 1 57 57 GLU CA C 13 58.700 0.3 . 1 . . . . . 191 GLU CA . 52564 1 270 . 1 . 1 57 57 GLU CB C 13 28.140 0.3 . 1 . . . . . 191 GLU CB . 52564 1 271 . 1 . 1 57 57 GLU N N 15 125.936 0.3 . 1 . . . . . 191 GLU N . 52564 1 272 . 1 . 1 58 58 LYS H H 1 7.778 0.020 . 1 . . . . . 192 LYS H . 52564 1 273 . 1 . 1 58 58 LYS C C 13 180.480 0.3 . 1 . . . . . 192 LYS C . 52564 1 274 . 1 . 1 58 58 LYS CA C 13 59.540 0.3 . 1 . . . . . 192 LYS CA . 52564 1 275 . 1 . 1 58 58 LYS CB C 13 31.400 0.3 . 1 . . . . . 192 LYS CB . 52564 1 276 . 1 . 1 58 58 LYS N N 15 121.386 0.3 . 1 . . . . . 192 LYS N . 52564 1 277 . 1 . 1 59 59 LEU H H 1 7.592 0.020 . 1 . . . . . 193 LEU H . 52564 1 278 . 1 . 1 59 59 LEU C C 13 177.170 0.3 . 1 . . . . . 193 LEU C . 52564 1 279 . 1 . 1 59 59 LEU CA C 13 57.980 0.3 . 1 . . . . . 193 LEU CA . 52564 1 280 . 1 . 1 59 59 LEU CB C 13 42.980 0.3 . 1 . . . . . 193 LEU CB . 52564 1 281 . 1 . 1 59 59 LEU N N 15 121.143 0.3 . 1 . . . . . 193 LEU N . 52564 1 282 . 1 . 1 60 60 PHE H H 1 6.698 0.020 . 1 . . . . . 194 PHE H . 52564 1 283 . 1 . 1 60 60 PHE C C 13 178.200 0.3 . 1 . . . . . 194 PHE C . 52564 1 284 . 1 . 1 60 60 PHE CA C 13 54.900 0.3 . 1 . . . . . 194 PHE CA . 52564 1 285 . 1 . 1 60 60 PHE CB C 13 35.910 0.3 . 1 . . . . . 194 PHE CB . 52564 1 286 . 1 . 1 60 60 PHE N N 15 111.247 0.3 . 1 . . . . . 194 PHE N . 52564 1 287 . 1 . 1 61 61 SER H H 1 7.504 0.020 . 1 . . . . . 195 SER H . 52564 1 288 . 1 . 1 61 61 SER C C 13 176.060 0.3 . 1 . . . . . 195 SER C . 52564 1 289 . 1 . 1 61 61 SER CA C 13 59.120 0.3 . 1 . . . . . 195 SER CA . 52564 1 290 . 1 . 1 61 61 SER CB C 13 64.080 0.3 . 1 . . . . . 195 SER CB . 52564 1 291 . 1 . 1 61 61 SER N N 15 112.322 0.3 . 1 . . . . . 195 SER N . 52564 1 292 . 1 . 1 62 62 LYS H H 1 7.596 0.020 . 1 . . . . . 196 LYS H . 52564 1 293 . 1 . 1 62 62 LYS C C 13 176.460 0.3 . 1 . . . . . 196 LYS C . 52564 1 294 . 1 . 1 62 62 LYS CA C 13 56.600 0.3 . 1 . . . . . 196 LYS CA . 52564 1 295 . 1 . 1 62 62 LYS CB C 13 31.290 0.3 . 1 . . . . . 196 LYS CB . 52564 1 296 . 1 . 1 62 62 LYS N N 15 125.588 0.3 . 1 . . . . . 196 LYS N . 52564 1 297 . 1 . 1 63 63 PRO C C 13 180.890 0.3 . 1 . . . . . 197 PRO C . 52564 1 298 . 1 . 1 63 63 PRO CA C 13 66.610 0.3 . 1 . . . . . 197 PRO CA . 52564 1 299 . 1 . 1 63 63 PRO CB C 13 32.720 0.3 . 1 . . . . . 197 PRO CB . 52564 1 300 . 1 . 1 64 64 THR H H 1 9.618 0.020 . 1 . . . . . 198 THR H . 52564 1 301 . 1 . 1 64 64 THR C C 13 176.980 0.3 . 1 . . . . . 198 THR C . 52564 1 302 . 1 . 1 64 64 THR CA C 13 65.750 0.3 . 1 . . . . . 198 THR CA . 52564 1 303 . 1 . 1 64 64 THR CB C 13 67.700 0.3 . 1 . . . . . 198 THR CB . 52564 1 304 . 1 . 1 64 64 THR N N 15 109.951 0.3 . 1 . . . . . 198 THR N . 52564 1 305 . 1 . 1 65 65 TYR H H 1 6.996 0.020 . 1 . . . . . 199 TYR H . 52564 1 306 . 1 . 1 65 65 TYR C C 13 177.740 0.3 . 1 . . . . . 199 TYR C . 52564 1 307 . 1 . 1 65 65 TYR CA C 13 62.720 0.3 . 1 . . . . . 199 TYR CA . 52564 1 308 . 1 . 1 65 65 TYR CB C 13 40.290 0.3 . 1 . . . . . 199 TYR CB . 52564 1 309 . 1 . 1 65 65 TYR N N 15 121.647 0.3 . 1 . . . . . 199 TYR N . 52564 1 310 . 1 . 1 66 66 ALA H H 1 8.771 0.020 . 1 . . . . . 200 ALA H . 52564 1 311 . 1 . 1 66 66 ALA C C 13 180.300 0.3 . 1 . . . . . 200 ALA C . 52564 1 312 . 1 . 1 66 66 ALA CA C 13 55.820 0.3 . 1 . . . . . 200 ALA CA . 52564 1 313 . 1 . 1 66 66 ALA CB C 13 18.200 0.3 . 1 . . . . . 200 ALA CB . 52564 1 314 . 1 . 1 66 66 ALA N N 15 122.422 0.3 . 1 . . . . . 200 ALA N . 52564 1 315 . 1 . 1 67 67 ALA H H 1 7.801 0.020 . 1 . . . . . 201 ALA H . 52564 1 316 . 1 . 1 67 67 ALA C C 13 180.190 0.3 . 1 . . . . . 201 ALA C . 52564 1 317 . 1 . 1 67 67 ALA CA C 13 54.530 0.3 . 1 . . . . . 201 ALA CA . 52564 1 318 . 1 . 1 67 67 ALA CB C 13 18.190 0.3 . 1 . . . . . 201 ALA CB . 52564 1 319 . 1 . 1 67 67 ALA N N 15 116.689 0.3 . 1 . . . . . 201 ALA N . 52564 1 320 . 1 . 1 68 68 PHE H H 1 7.774 0.020 . 1 . . . . . 202 PHE H . 52564 1 321 . 1 . 1 68 68 PHE C C 13 176.670 0.3 . 1 . . . . . 202 PHE C . 52564 1 322 . 1 . 1 68 68 PHE CA C 13 61.380 0.3 . 1 . . . . . 202 PHE CA . 52564 1 323 . 1 . 1 68 68 PHE CB C 13 40.140 0.3 . 1 . . . . . 202 PHE CB . 52564 1 324 . 1 . 1 68 68 PHE N N 15 119.767 0.3 . 1 . . . . . 202 PHE N . 52564 1 325 . 1 . 1 69 69 ILE H H 1 8.809 0.020 . 1 . . . . . 203 ILE H . 52564 1 326 . 1 . 1 69 69 ILE C C 13 179.560 0.3 . 1 . . . . . 203 ILE C . 52564 1 327 . 1 . 1 69 69 ILE CA C 13 65.740 0.3 . 1 . . . . . 203 ILE CA . 52564 1 328 . 1 . 1 69 69 ILE CB C 13 37.940 0.3 . 1 . . . . . 203 ILE CB . 52564 1 329 . 1 . 1 69 69 ILE N N 15 119.373 0.3 . 1 . . . . . 203 ILE N . 52564 1 330 . 1 . 1 70 70 ASN H H 1 7.715 0.020 . 1 . . . . . 204 ASN H . 52564 1 331 . 1 . 1 70 70 ASN C C 13 177.090 0.3 . 1 . . . . . 204 ASN C . 52564 1 332 . 1 . 1 70 70 ASN CA C 13 55.060 0.3 . 1 . . . . . 204 ASN CA . 52564 1 333 . 1 . 1 70 70 ASN CB C 13 37.520 0.3 . 1 . . . . . 204 ASN CB . 52564 1 334 . 1 . 1 70 70 ASN N N 15 117.002 0.3 . 1 . . . . . 204 ASN N . 52564 1 335 . 1 . 1 71 71 LEU H H 1 7.367 0.020 . 1 . . . . . 205 LEU H . 52564 1 336 . 1 . 1 71 71 LEU C C 13 178.140 0.3 . 1 . . . . . 205 LEU C . 52564 1 337 . 1 . 1 71 71 LEU CA C 13 56.770 0.3 . 1 . . . . . 205 LEU CA . 52564 1 338 . 1 . 1 71 71 LEU CB C 13 42.900 0.3 . 1 . . . . . 205 LEU CB . 52564 1 339 . 1 . 1 71 71 LEU N N 15 121.362 0.3 . 1 . . . . . 205 LEU N . 52564 1 340 . 1 . 1 72 72 LEU H H 1 7.188 0.020 . 1 . . . . . 206 LEU H . 52564 1 341 . 1 . 1 72 72 LEU C C 13 176.840 0.3 . 1 . . . . . 206 LEU C . 52564 1 342 . 1 . 1 72 72 LEU CA C 13 56.790 0.3 . 1 . . . . . 206 LEU CA . 52564 1 343 . 1 . 1 72 72 LEU CB C 13 40.700 0.3 . 1 . . . . . 206 LEU CB . 52564 1 344 . 1 . 1 72 72 LEU N N 15 113.423 0.3 . 1 . . . . . 206 LEU N . 52564 1 345 . 1 . 1 73 73 ASN H H 1 7.152 0.020 . 1 . . . . . 207 ASN H . 52564 1 346 . 1 . 1 73 73 ASN C C 13 177.340 0.3 . 1 . . . . . 207 ASN C . 52564 1 347 . 1 . 1 73 73 ASN CA C 13 51.980 0.3 . 1 . . . . . 207 ASN CA . 52564 1 348 . 1 . 1 73 73 ASN CB C 13 37.440 0.3 . 1 . . . . . 207 ASN CB . 52564 1 349 . 1 . 1 73 73 ASN N N 15 113.926 0.3 . 1 . . . . . 207 ASN N . 52564 1 350 . 1 . 1 74 74 ASN H H 1 7.295 0.020 . 1 . . . . . 208 ASN H . 52564 1 351 . 1 . 1 74 74 ASN C C 13 175.040 0.3 . 1 . . . . . 208 ASN C . 52564 1 352 . 1 . 1 74 74 ASN CA C 13 54.120 0.3 . 1 . . . . . 208 ASN CA . 52564 1 353 . 1 . 1 74 74 ASN CB C 13 37.850 0.3 . 1 . . . . . 208 ASN CB . 52564 1 354 . 1 . 1 74 74 ASN N N 15 118.331 0.3 . 1 . . . . . 208 ASN N . 52564 1 355 . 1 . 1 75 75 TYR H H 1 7.706 0.020 . 1 . . . . . 209 TYR H . 52564 1 356 . 1 . 1 75 75 TYR C C 13 175.960 0.3 . 1 . . . . . 209 TYR C . 52564 1 357 . 1 . 1 75 75 TYR CA C 13 59.150 0.3 . 1 . . . . . 209 TYR CA . 52564 1 358 . 1 . 1 75 75 TYR CB C 13 41.690 0.3 . 1 . . . . . 209 TYR CB . 52564 1 359 . 1 . 1 75 75 TYR N N 15 116.500 0.3 . 1 . . . . . 209 TYR N . 52564 1 360 . 1 . 1 76 76 GLN H H 1 10.361 0.020 . 1 . . . . . 210 GLN H . 52564 1 361 . 1 . 1 76 76 GLN C C 13 175.560 0.3 . 1 . . . . . 210 GLN C . 52564 1 362 . 1 . 1 76 76 GLN CA C 13 54.240 0.3 . 1 . . . . . 210 GLN CA . 52564 1 363 . 1 . 1 76 76 GLN CB C 13 29.970 0.3 . 1 . . . . . 210 GLN CB . 52564 1 364 . 1 . 1 76 76 GLN N N 15 123.641 0.3 . 1 . . . . . 210 GLN N . 52564 1 365 . 1 . 1 77 77 ARG H H 1 8.720 0.020 . 1 . . . . . 211 ARG H . 52564 1 366 . 1 . 1 77 77 ARG C C 13 177.770 0.3 . 1 . . . . . 211 ARG C . 52564 1 367 . 1 . 1 77 77 ARG CA C 13 59.050 0.3 . 1 . . . . . 211 ARG CA . 52564 1 368 . 1 . 1 77 77 ARG N N 15 124.852 0.3 . 1 . . . . . 211 ARG N . 52564 1 369 . 1 . 1 78 78 ALA H H 1 8.548 0.020 . 1 . . . . . 212 ALA H . 52564 1 370 . 1 . 1 78 78 ALA C C 13 178.450 0.3 . 1 . . . . . 212 ALA C . 52564 1 371 . 1 . 1 78 78 ALA CA C 13 52.850 0.3 . 1 . . . . . 212 ALA CA . 52564 1 372 . 1 . 1 78 78 ALA CB C 13 18.030 0.3 . 1 . . . . . 212 ALA CB . 52564 1 373 . 1 . 1 78 78 ALA N N 15 126.717 0.3 . 1 . . . . . 212 ALA N . 52564 1 374 . 1 . 1 79 79 THR H H 1 8.208 0.020 . 1 . . . . . 213 THR H . 52564 1 375 . 1 . 1 79 79 THR CA C 13 63.640 0.3 . 1 . . . . . 213 THR CA . 52564 1 376 . 1 . 1 79 79 THR CB C 13 73.220 0.3 . 1 . . . . . 213 THR CB . 52564 1 377 . 1 . 1 79 79 THR N N 15 118.585 0.3 . 1 . . . . . 213 THR N . 52564 1 378 . 1 . 1 80 80 GLY C C 13 173.170 0.3 . 1 . . . . . 214 GLY C . 52564 1 379 . 1 . 1 80 80 GLY CA C 13 45.320 0.3 . 1 . . . . . 214 GLY CA . 52564 1 380 . 1 . 1 81 81 HIS H H 1 6.743 0.020 . 1 . . . . . 215 HIS H . 52564 1 381 . 1 . 1 81 81 HIS C C 13 174.780 0.3 . 1 . . . . . 215 HIS C . 52564 1 382 . 1 . 1 81 81 HIS CA C 13 54.030 0.3 . 1 . . . . . 215 HIS CA . 52564 1 383 . 1 . 1 81 81 HIS N N 15 115.765 0.3 . 1 . . . . . 215 HIS N . 52564 1 384 . 1 . 1 82 82 GLY H H 1 9.531 0.020 . 1 . . . . . 216 GLY H . 52564 1 385 . 1 . 1 82 82 GLY C C 13 173.460 0.3 . 1 . . . . . 216 GLY C . 52564 1 386 . 1 . 1 82 82 GLY CA C 13 46.420 0.3 . 1 . . . . . 216 GLY CA . 52564 1 387 . 1 . 1 82 82 GLY N N 15 114.057 0.3 . 1 . . . . . 216 GLY N . 52564 1 388 . 1 . 1 83 83 GLU H H 1 8.164 0.020 . 1 . . . . . 217 GLU H . 52564 1 389 . 1 . 1 83 83 GLU C C 13 176.590 0.3 . 1 . . . . . 217 GLU C . 52564 1 390 . 1 . 1 83 83 GLU CA C 13 54.820 0.3 . 1 . . . . . 217 GLU CA . 52564 1 391 . 1 . 1 83 83 GLU N N 15 122.168 0.3 . 1 . . . . . 217 GLU N . 52564 1 392 . 1 . 1 84 84 HIS H H 1 8.793 0.020 . 1 . . . . . 218 HIS H . 52564 1 393 . 1 . 1 84 84 HIS C C 13 173.780 0.3 . 1 . . . . . 218 HIS C . 52564 1 394 . 1 . 1 84 84 HIS CA C 13 54.460 0.3 . 1 . . . . . 218 HIS CA . 52564 1 395 . 1 . 1 84 84 HIS CB C 13 29.690 0.3 . 1 . . . . . 218 HIS CB . 52564 1 396 . 1 . 1 84 84 HIS N N 15 121.213 0.3 . 1 . . . . . 218 HIS N . 52564 1 397 . 1 . 1 85 85 PHE H H 1 8.123 0.020 . 1 . . . . . 219 PHE H . 52564 1 398 . 1 . 1 85 85 PHE C C 13 176.670 0.3 . 1 . . . . . 219 PHE C . 52564 1 399 . 1 . 1 85 85 PHE CA C 13 55.750 0.3 . 1 . . . . . 219 PHE CA . 52564 1 400 . 1 . 1 85 85 PHE CB C 13 39.480 0.3 . 1 . . . . . 219 PHE CB . 52564 1 401 . 1 . 1 85 85 PHE N N 15 123.566 0.3 . 1 . . . . . 219 PHE N . 52564 1 402 . 1 . 1 86 86 SER H H 1 9.166 0.020 . 1 . . . . . 220 SER H . 52564 1 403 . 1 . 1 86 86 SER C C 13 174.720 0.3 . 1 . . . . . 220 SER C . 52564 1 404 . 1 . 1 86 86 SER CA C 13 56.890 0.3 . 1 . . . . . 220 SER CA . 52564 1 405 . 1 . 1 86 86 SER CB C 13 65.930 0.3 . 1 . . . . . 220 SER CB . 52564 1 406 . 1 . 1 86 86 SER N N 15 120.189 0.3 . 1 . . . . . 220 SER N . 52564 1 407 . 1 . 1 87 87 ALA H H 1 8.927 0.020 . 1 . . . . . 221 ALA H . 52564 1 408 . 1 . 1 87 87 ALA C C 13 180.960 0.3 . 1 . . . . . 221 ALA C . 52564 1 409 . 1 . 1 87 87 ALA CA C 13 55.970 0.3 . 1 . . . . . 221 ALA CA . 52564 1 410 . 1 . 1 87 87 ALA N N 15 122.597 0.3 . 1 . . . . . 221 ALA N . 52564 1 411 . 1 . 1 88 88 GLN H H 1 8.257 0.020 . 1 . . . . . 222 GLN H . 52564 1 412 . 1 . 1 88 88 GLN C C 13 178.450 0.3 . 1 . . . . . 222 GLN C . 52564 1 413 . 1 . 1 88 88 GLN CA C 13 59.390 0.3 . 1 . . . . . 222 GLN CA . 52564 1 414 . 1 . 1 88 88 GLN CB C 13 28.090 0.3 . 1 . . . . . 222 GLN CB . 52564 1 415 . 1 . 1 88 88 GLN N N 15 117.638 0.3 . 1 . . . . . 222 GLN N . 52564 1 416 . 1 . 1 89 89 GLU H H 1 7.492 0.020 . 1 . . . . . 223 GLU H . 52564 1 417 . 1 . 1 89 89 GLU C C 13 179.140 0.3 . 1 . . . . . 223 GLU C . 52564 1 418 . 1 . 1 89 89 GLU CA C 13 59.270 0.3 . 1 . . . . . 223 GLU CA . 52564 1 419 . 1 . 1 89 89 GLU CB C 13 29.930 0.3 . 1 . . . . . 223 GLU CB . 52564 1 420 . 1 . 1 89 89 GLU N N 15 121.326 0.3 . 1 . . . . . 223 GLU N . 52564 1 421 . 1 . 1 90 90 LEU H H 1 7.984 0.020 . 1 . . . . . 224 LEU H . 52564 1 422 . 1 . 1 90 90 LEU C C 13 180.570 0.3 . 1 . . . . . 224 LEU C . 52564 1 423 . 1 . 1 90 90 LEU CA C 13 58.240 0.3 . 1 . . . . . 224 LEU CA . 52564 1 424 . 1 . 1 90 90 LEU CB C 13 41.110 0.3 . 1 . . . . . 224 LEU CB . 52564 1 425 . 1 . 1 90 90 LEU N N 15 118.743 0.3 . 1 . . . . . 224 LEU N . 52564 1 426 . 1 . 1 91 91 ALA H H 1 7.854 0.020 . 1 . . . . . 225 ALA H . 52564 1 427 . 1 . 1 91 91 ALA C C 13 181.170 0.3 . 1 . . . . . 225 ALA C . 52564 1 428 . 1 . 1 91 91 ALA CA C 13 54.900 0.3 . 1 . . . . . 225 ALA CA . 52564 1 429 . 1 . 1 91 91 ALA CB C 13 17.540 0.3 . 1 . . . . . 225 ALA CB . 52564 1 430 . 1 . 1 91 91 ALA N N 15 121.797 0.3 . 1 . . . . . 225 ALA N . 52564 1 431 . 1 . 1 92 92 GLU H H 1 7.640 0.020 . 1 . . . . . 226 GLU H . 52564 1 432 . 1 . 1 92 92 GLU C C 13 180.940 0.3 . 1 . . . . . 226 GLU C . 52564 1 433 . 1 . 1 92 92 GLU CA C 13 58.830 0.3 . 1 . . . . . 226 GLU CA . 52564 1 434 . 1 . 1 92 92 GLU CB C 13 29.530 0.3 . 1 . . . . . 226 GLU CB . 52564 1 435 . 1 . 1 92 92 GLU N N 15 119.036 0.3 . 1 . . . . . 226 GLU N . 52564 1 436 . 1 . 1 93 93 GLN H H 1 7.245 0.020 . 1 . . . . . 227 GLN H . 52564 1 437 . 1 . 1 93 93 GLN C C 13 177.490 0.3 . 1 . . . . . 227 GLN C . 52564 1 438 . 1 . 1 93 93 GLN CA C 13 59.050 0.3 . 1 . . . . . 227 GLN CA . 52564 1 439 . 1 . 1 93 93 GLN CB C 13 26.920 0.3 . 1 . . . . . 227 GLN CB . 52564 1 440 . 1 . 1 93 93 GLN N N 15 120.803 0.3 . 1 . . . . . 227 GLN N . 52564 1 441 . 1 . 1 94 94 ASP H H 1 6.817 0.020 . 1 . . . . . 228 ASP H . 52564 1 442 . 1 . 1 94 94 ASP C C 13 178.640 0.3 . 1 . . . . . 228 ASP C . 52564 1 443 . 1 . 1 94 94 ASP CA C 13 57.630 0.3 . 1 . . . . . 228 ASP CA . 52564 1 444 . 1 . 1 94 94 ASP CB C 13 40.540 0.3 . 1 . . . . . 228 ASP CB . 52564 1 445 . 1 . 1 94 94 ASP N N 15 117.105 0.3 . 1 . . . . . 228 ASP N . 52564 1 446 . 1 . 1 95 95 ALA H H 1 8.366 0.020 . 1 . . . . . 229 ALA H . 52564 1 447 . 1 . 1 95 95 ALA C C 13 179.320 0.3 . 1 . . . . . 229 ALA C . 52564 1 448 . 1 . 1 95 95 ALA CA C 13 55.340 0.3 . 1 . . . . . 229 ALA CA . 52564 1 449 . 1 . 1 95 95 ALA CB C 13 18.270 0.3 . 1 . . . . . 229 ALA CB . 52564 1 450 . 1 . 1 95 95 ALA N N 15 121.986 0.3 . 1 . . . . . 229 ALA N . 52564 1 451 . 1 . 1 96 96 PHE H H 1 7.537 0.020 . 1 . . . . . 230 PHE H . 52564 1 452 . 1 . 1 96 96 PHE C C 13 176.150 0.3 . 1 . . . . . 230 PHE C . 52564 1 453 . 1 . 1 96 96 PHE CA C 13 61.410 0.3 . 1 . . . . . 230 PHE CA . 52564 1 454 . 1 . 1 96 96 PHE CB C 13 36.130 0.3 . 1 . . . . . 230 PHE CB . 52564 1 455 . 1 . 1 96 96 PHE N N 15 116.295 0.3 . 1 . . . . . 230 PHE N . 52564 1 456 . 1 . 1 97 97 LEU H H 1 7.558 0.020 . 1 . . . . . 231 LEU H . 52564 1 457 . 1 . 1 97 97 LEU C C 13 177.840 0.3 . 1 . . . . . 231 LEU C . 52564 1 458 . 1 . 1 97 97 LEU CA C 13 57.750 0.3 . 1 . . . . . 231 LEU CA . 52564 1 459 . 1 . 1 97 97 LEU CB C 13 41.350 0.3 . 1 . . . . . 231 LEU CB . 52564 1 460 . 1 . 1 97 97 LEU N N 15 117.897 0.3 . 1 . . . . . 231 LEU N . 52564 1 461 . 1 . 1 98 98 ARG H H 1 8.257 0.020 . 1 . . . . . 232 ARG H . 52564 1 462 . 1 . 1 98 98 ARG C C 13 179.770 0.3 . 1 . . . . . 232 ARG C . 52564 1 463 . 1 . 1 98 98 ARG CA C 13 59.330 0.3 . 1 . . . . . 232 ARG CA . 52564 1 464 . 1 . 1 98 98 ARG CB C 13 30.260 0.3 . 1 . . . . . 232 ARG CB . 52564 1 465 . 1 . 1 98 98 ARG N N 15 117.415 0.3 . 1 . . . . . 232 ARG N . 52564 1 466 . 1 . 1 99 99 GLU H H 1 7.985 0.020 . 1 . . . . . 233 GLU H . 52564 1 467 . 1 . 1 99 99 GLU C C 13 181.530 0.3 . 1 . . . . . 233 GLU C . 52564 1 468 . 1 . 1 99 99 GLU CA C 13 58.640 0.3 . 1 . . . . . 233 GLU CA . 52564 1 469 . 1 . 1 99 99 GLU CB C 13 28.630 0.3 . 1 . . . . . 233 GLU CB . 52564 1 470 . 1 . 1 99 99 GLU N N 15 115.550 0.3 . 1 . . . . . 233 GLU N . 52564 1 471 . 1 . 1 100 100 ILE H H 1 8.300 0.020 . 1 . . . . . 234 ILE H . 52564 1 472 . 1 . 1 100 100 ILE C C 13 179.520 0.3 . 1 . . . . . 234 ILE C . 52564 1 473 . 1 . 1 100 100 ILE CA C 13 65.100 0.3 . 1 . . . . . 234 ILE CA . 52564 1 474 . 1 . 1 100 100 ILE CB C 13 37.190 0.3 . 1 . . . . . 234 ILE CB . 52564 1 475 . 1 . 1 100 100 ILE N N 15 112.735 0.3 . 1 . . . . . 234 ILE N . 52564 1 476 . 1 . 1 101 101 MET H H 1 7.620 0.020 . 1 . . . . . 235 MET H . 52564 1 477 . 1 . 1 101 101 MET C C 13 176.250 0.3 . 1 . . . . . 235 MET C . 52564 1 478 . 1 . 1 101 101 MET CA C 13 55.500 0.3 . 1 . . . . . 235 MET CA . 52564 1 479 . 1 . 1 101 101 MET CB C 13 29.850 0.3 . 1 . . . . . 235 MET CB . 52564 1 480 . 1 . 1 101 101 MET N N 15 122.540 0.3 . 1 . . . . . 235 MET N . 52564 1 481 . 1 . 1 102 102 LYS H H 1 6.896 0.020 . 1 . . . . . 236 LYS H . 52564 1 482 . 1 . 1 102 102 LYS C C 13 178.060 0.3 . 1 . . . . . 236 LYS C . 52564 1 483 . 1 . 1 102 102 LYS CA C 13 57.660 0.3 . 1 . . . . . 236 LYS CA . 52564 1 484 . 1 . 1 102 102 LYS CB C 13 33.360 0.3 . 1 . . . . . 236 LYS CB . 52564 1 485 . 1 . 1 102 102 LYS N N 15 115.008 0.3 . 1 . . . . . 236 LYS N . 52564 1 486 . 1 . 1 103 103 THR H H 1 7.678 0.020 . 1 . . . . . 237 THR H . 52564 1 487 . 1 . 1 103 103 THR C C 13 174.600 0.3 . 1 . . . . . 237 THR C . 52564 1 488 . 1 . 1 103 103 THR CA C 13 61.400 0.3 . 1 . . . . . 237 THR CA . 52564 1 489 . 1 . 1 103 103 THR CB C 13 71.770 0.3 . 1 . . . . . 237 THR CB . 52564 1 490 . 1 . 1 103 103 THR N N 15 109.195 0.3 . 1 . . . . . 237 THR N . 52564 1 491 . 1 . 1 104 104 ALA H H 1 8.813 0.020 . 1 . . . . . 238 ALA H . 52564 1 492 . 1 . 1 104 104 ALA C C 13 180.150 0.3 . 1 . . . . . 238 ALA C . 52564 1 493 . 1 . 1 104 104 ALA CA C 13 55.460 0.3 . 1 . . . . . 238 ALA CA . 52564 1 494 . 1 . 1 104 104 ALA CB C 13 18.920 0.3 . 1 . . . . . 238 ALA CB . 52564 1 495 . 1 . 1 104 104 ALA N N 15 125.368 0.3 . 1 . . . . . 238 ALA N . 52564 1 496 . 1 . 1 105 105 VAL H H 1 7.984 0.020 . 1 . . . . . 239 VAL H . 52564 1 497 . 1 . 1 105 105 VAL C C 13 176.820 0.3 . 1 . . . . . 239 VAL C . 52564 1 498 . 1 . 1 105 105 VAL CA C 13 67.110 0.3 . 1 . . . . . 239 VAL CA . 52564 1 499 . 1 . 1 105 105 VAL CB C 13 32.630 0.3 . 1 . . . . . 239 VAL CB . 52564 1 500 . 1 . 1 105 105 VAL N N 15 113.484 0.3 . 1 . . . . . 239 VAL N . 52564 1 501 . 1 . 1 106 106 MET H H 1 6.901 0.020 . 1 . . . . . 240 MET H . 52564 1 502 . 1 . 1 106 106 MET C C 13 179.910 0.3 . 1 . . . . . 240 MET C . 52564 1 503 . 1 . 1 106 106 MET CA C 13 55.490 0.3 . 1 . . . . . 240 MET CA . 52564 1 504 . 1 . 1 106 106 MET N N 15 114.729 0.3 . 1 . . . . . 240 MET N . 52564 1 505 . 1 . 1 107 107 LYS H H 1 8.465 0.020 . 1 . . . . . 241 LYS H . 52564 1 506 . 1 . 1 107 107 LYS C C 13 180.900 0.3 . 1 . . . . . 241 LYS C . 52564 1 507 . 1 . 1 107 107 LYS CA C 13 60.650 0.3 . 1 . . . . . 241 LYS CA . 52564 1 508 . 1 . 1 107 107 LYS CB C 13 32.120 0.3 . 1 . . . . . 241 LYS CB . 52564 1 509 . 1 . 1 107 107 LYS N N 15 121.865 0.3 . 1 . . . . . 241 LYS N . 52564 1 510 . 1 . 1 108 108 GLU H H 1 8.684 0.020 . 1 . . . . . 242 GLU H . 52564 1 511 . 1 . 1 108 108 GLU C C 13 180.150 0.3 . 1 . . . . . 242 GLU C . 52564 1 512 . 1 . 1 108 108 GLU CA C 13 58.830 0.3 . 1 . . . . . 242 GLU CA . 52564 1 513 . 1 . 1 108 108 GLU CB C 13 28.870 0.3 . 1 . . . . . 242 GLU CB . 52564 1 514 . 1 . 1 108 108 GLU N N 15 119.564 0.3 . 1 . . . . . 242 GLU N . 52564 1 515 . 1 . 1 109 109 LEU H H 1 7.657 0.020 . 1 . . . . . 243 LEU H . 52564 1 516 . 1 . 1 109 109 LEU C C 13 177.920 0.3 . 1 . . . . . 243 LEU C . 52564 1 517 . 1 . 1 109 109 LEU CA C 13 58.860 0.3 . 1 . . . . . 243 LEU CA . 52564 1 518 . 1 . 1 109 109 LEU CB C 13 41.520 0.3 . 1 . . . . . 243 LEU CB . 52564 1 519 . 1 . 1 109 109 LEU N N 15 119.854 0.3 . 1 . . . . . 243 LEU N . 52564 1 520 . 1 . 1 110 110 TYR H H 1 9.074 0.020 . 1 . . . . . 244 TYR H . 52564 1 521 . 1 . 1 110 110 TYR C C 13 176.430 0.3 . 1 . . . . . 244 TYR C . 52564 1 522 . 1 . 1 110 110 TYR CA C 13 62.660 0.3 . 1 . . . . . 244 TYR CA . 52564 1 523 . 1 . 1 110 110 TYR CB C 13 37.580 0.3 . 1 . . . . . 244 TYR CB . 52564 1 524 . 1 . 1 110 110 TYR N N 15 118.206 0.3 . 1 . . . . . 244 TYR N . 52564 1 525 . 1 . 1 111 111 SER H H 1 8.479 0.020 . 1 . . . . . 245 SER H . 52564 1 526 . 1 . 1 111 111 SER C C 13 176.480 0.3 . 1 . . . . . 245 SER C . 52564 1 527 . 1 . 1 111 111 SER CA C 13 62.440 0.3 . 1 . . . . . 245 SER CA . 52564 1 528 . 1 . 1 111 111 SER N N 15 113.552 0.3 . 1 . . . . . 245 SER N . 52564 1 529 . 1 . 1 112 112 PHE H H 1 7.870 0.020 . 1 . . . . . 246 PHE H . 52564 1 530 . 1 . 1 112 112 PHE C C 13 177.040 0.3 . 1 . . . . . 246 PHE C . 52564 1 531 . 1 . 1 112 112 PHE CA C 13 61.150 0.3 . 1 . . . . . 246 PHE CA . 52564 1 532 . 1 . 1 112 112 PHE CB C 13 39.560 0.3 . 1 . . . . . 246 PHE CB . 52564 1 533 . 1 . 1 112 112 PHE N N 15 120.266 0.3 . 1 . . . . . 246 PHE N . 52564 1 534 . 1 . 1 113 113 LEU H H 1 8.243 0.020 . 1 . . . . . 247 LEU H . 52564 1 535 . 1 . 1 113 113 LEU C C 13 179.400 0.3 . 1 . . . . . 247 LEU C . 52564 1 536 . 1 . 1 113 113 LEU CA C 13 57.650 0.3 . 1 . . . . . 247 LEU CA . 52564 1 537 . 1 . 1 113 113 LEU CB C 13 42.330 0.3 . 1 . . . . . 247 LEU CB . 52564 1 538 . 1 . 1 113 113 LEU N N 15 118.668 0.3 . 1 . . . . . 247 LEU N . 52564 1 539 . 1 . 1 114 114 HIS H H 1 9.295 0.020 . 1 . . . . . 248 HIS H . 52564 1 540 . 1 . 1 114 114 HIS C C 13 179.380 0.3 . 1 . . . . . 248 HIS C . 52564 1 541 . 1 . 1 114 114 HIS CA C 13 58.890 0.3 . 1 . . . . . 248 HIS CA . 52564 1 542 . 1 . 1 114 114 HIS CB C 13 28.550 0.3 . 1 . . . . . 248 HIS CB . 52564 1 543 . 1 . 1 114 114 HIS N N 15 120.972 0.3 . 1 . . . . . 248 HIS N . 52564 1 544 . 1 . 1 115 115 HIS H H 1 8.296 0.020 . 1 . . . . . 249 HIS H . 52564 1 545 . 1 . 1 115 115 HIS C C 13 176.530 0.3 . 1 . . . . . 249 HIS C . 52564 1 546 . 1 . 1 115 115 HIS CA C 13 59.150 0.3 . 1 . . . . . 249 HIS CA . 52564 1 547 . 1 . 1 115 115 HIS CB C 13 29.040 0.3 . 1 . . . . . 249 HIS CB . 52564 1 548 . 1 . 1 115 115 HIS N N 15 121.414 0.3 . 1 . . . . . 249 HIS N . 52564 1 549 . 1 . 1 116 116 GLN H H 1 7.227 0.020 . 1 . . . . . 250 GLN H . 52564 1 550 . 1 . 1 116 116 GLN C C 13 174.600 0.3 . 1 . . . . . 250 GLN C . 52564 1 551 . 1 . 1 116 116 GLN CA C 13 54.900 0.3 . 1 . . . . . 250 GLN CA . 52564 1 552 . 1 . 1 116 116 GLN CB C 13 27.650 0.3 . 1 . . . . . 250 GLN CB . 52564 1 553 . 1 . 1 116 116 GLN N N 15 114.320 0.3 . 1 . . . . . 250 GLN N . 52564 1 554 . 1 . 1 117 117 ASN H H 1 7.766 0.020 . 1 . . . . . 251 ASN H . 52564 1 555 . 1 . 1 117 117 ASN C C 13 174.840 0.3 . 1 . . . . . 251 ASN C . 52564 1 556 . 1 . 1 117 117 ASN CA C 13 54.470 0.3 . 1 . . . . . 251 ASN CA . 52564 1 557 . 1 . 1 117 117 ASN CB C 13 37.030 0.3 . 1 . . . . . 251 ASN CB . 52564 1 558 . 1 . 1 117 117 ASN N N 15 113.413 0.3 . 1 . . . . . 251 ASN N . 52564 1 559 . 1 . 1 118 118 ARG H H 1 8.041 0.020 . 1 . . . . . 252 ARG H . 52564 1 560 . 1 . 1 118 118 ARG C C 13 175.460 0.3 . 1 . . . . . 252 ARG C . 52564 1 561 . 1 . 1 118 118 ARG CA C 13 55.540 0.3 . 1 . . . . . 252 ARG CA . 52564 1 562 . 1 . 1 118 118 ARG CB C 13 30.750 0.3 . 1 . . . . . 252 ARG CB . 52564 1 563 . 1 . 1 118 118 ARG N N 15 113.886 0.3 . 1 . . . . . 252 ARG N . 52564 1 564 . 1 . 1 119 119 TYR H H 1 6.547 0.020 . 1 . . . . . 253 TYR H . 52564 1 565 . 1 . 1 119 119 TYR C C 13 176.170 0.3 . 1 . . . . . 253 TYR C . 52564 1 566 . 1 . 1 119 119 TYR CA C 13 57.960 0.3 . 1 . . . . . 253 TYR CA . 52564 1 567 . 1 . 1 119 119 TYR CB C 13 44.860 0.3 . 1 . . . . . 253 TYR CB . 52564 1 568 . 1 . 1 119 119 TYR N N 15 110.385 0.3 . 1 . . . . . 253 TYR N . 52564 1 569 . 1 . 1 120 120 GLY H H 1 9.728 0.020 . 1 . . . . . 254 GLY H . 52564 1 570 . 1 . 1 120 120 GLY C C 13 173.110 0.3 . 1 . . . . . 254 GLY C . 52564 1 571 . 1 . 1 120 120 GLY CA C 13 45.970 0.3 . 1 . . . . . 254 GLY CA . 52564 1 572 . 1 . 1 120 120 GLY N N 15 110.730 0.3 . 1 . . . . . 254 GLY N . 52564 1 573 . 1 . 1 121 121 SER H H 1 7.684 0.020 . 1 . . . . . 255 SER H . 52564 1 574 . 1 . 1 121 121 SER C C 13 174.600 0.3 . 1 . . . . . 255 SER C . 52564 1 575 . 1 . 1 121 121 SER CA C 13 57.700 0.3 . 1 . . . . . 255 SER CA . 52564 1 576 . 1 . 1 121 121 SER CB C 13 66.330 0.3 . 1 . . . . . 255 SER CB . 52564 1 577 . 1 . 1 121 121 SER N N 15 112.310 0.3 . 1 . . . . . 255 SER N . 52564 1 578 . 1 . 1 122 122 GLU H H 1 9.063 0.020 . 1 . . . . . 256 GLU H . 52564 1 579 . 1 . 1 122 122 GLU C C 13 178.600 0.3 . 1 . . . . . 256 GLU C . 52564 1 580 . 1 . 1 122 122 GLU CA C 13 60.520 0.3 . 1 . . . . . 256 GLU CA . 52564 1 581 . 1 . 1 122 122 GLU CB C 13 29.530 0.3 . 1 . . . . . 256 GLU CB . 52564 1 582 . 1 . 1 122 122 GLU N N 15 122.520 0.3 . 1 . . . . . 256 GLU N . 52564 1 583 . 1 . 1 123 123 GLN H H 1 8.397 0.020 . 1 . . . . . 257 GLN H . 52564 1 584 . 1 . 1 123 123 GLN C C 13 177.760 0.3 . 1 . . . . . 257 GLN C . 52564 1 585 . 1 . 1 123 123 GLN CA C 13 59.080 0.3 . 1 . . . . . 257 GLN CA . 52564 1 586 . 1 . 1 123 123 GLN CB C 13 28.220 0.3 . 1 . . . . . 257 GLN CB . 52564 1 587 . 1 . 1 123 123 GLN N N 15 118.173 0.3 . 1 . . . . . 257 GLN N . 52564 1 588 . 1 . 1 124 124 GLU H H 1 7.756 0.020 . 1 . . . . . 258 GLU H . 52564 1 589 . 1 . 1 124 124 GLU C C 13 179.770 0.3 . 1 . . . . . 258 GLU C . 52564 1 590 . 1 . 1 124 124 GLU CA C 13 59.460 0.3 . 1 . . . . . 258 GLU CA . 52564 1 591 . 1 . 1 124 124 GLU CB C 13 31.080 0.3 . 1 . . . . . 258 GLU CB . 52564 1 592 . 1 . 1 124 124 GLU N N 15 119.232 0.3 . 1 . . . . . 258 GLU N . 52564 1 593 . 1 . 1 125 125 PHE H H 1 7.594 0.020 . 1 . . . . . 259 PHE H . 52564 1 594 . 1 . 1 125 125 PHE C C 13 176.130 0.3 . 1 . . . . . 259 PHE C . 52564 1 595 . 1 . 1 125 125 PHE CA C 13 58.900 0.3 . 1 . . . . . 259 PHE CA . 52564 1 596 . 1 . 1 125 125 PHE CB C 13 39.820 0.3 . 1 . . . . . 259 PHE CB . 52564 1 597 . 1 . 1 125 125 PHE N N 15 119.845 0.3 . 1 . . . . . 259 PHE N . 52564 1 598 . 1 . 1 126 126 VAL H H 1 8.741 0.020 . 1 . . . . . 260 VAL H . 52564 1 599 . 1 . 1 126 126 VAL C C 13 177.780 0.3 . 1 . . . . . 260 VAL C . 52564 1 600 . 1 . 1 126 126 VAL CA C 13 67.720 0.3 . 1 . . . . . 260 VAL CA . 52564 1 601 . 1 . 1 126 126 VAL CB C 13 31.790 0.3 . 1 . . . . . 260 VAL CB . 52564 1 602 . 1 . 1 126 126 VAL N N 15 119.986 0.3 . 1 . . . . . 260 VAL N . 52564 1 603 . 1 . 1 127 127 ASP H H 1 8.411 0.020 . 1 . . . . . 261 ASP H . 52564 1 604 . 1 . 1 127 127 ASP C C 13 179.180 0.3 . 1 . . . . . 261 ASP C . 52564 1 605 . 1 . 1 127 127 ASP CA C 13 57.720 0.3 . 1 . . . . . 261 ASP CA . 52564 1 606 . 1 . 1 127 127 ASP CB C 13 40.790 0.3 . 1 . . . . . 261 ASP CB . 52564 1 607 . 1 . 1 127 127 ASP N N 15 118.817 0.3 . 1 . . . . . 261 ASP N . 52564 1 608 . 1 . 1 128 128 ASP H H 1 7.941 0.020 . 1 . . . . . 262 ASP H . 52564 1 609 . 1 . 1 128 128 ASP C C 13 179.330 0.3 . 1 . . . . . 262 ASP C . 52564 1 610 . 1 . 1 128 128 ASP CA C 13 57.870 0.3 . 1 . . . . . 262 ASP CA . 52564 1 611 . 1 . 1 128 128 ASP CB C 13 42.170 0.3 . 1 . . . . . 262 ASP CB . 52564 1 612 . 1 . 1 128 128 ASP N N 15 120.869 0.3 . 1 . . . . . 262 ASP N . 52564 1 613 . 1 . 1 129 129 LEU H H 1 8.731 0.020 . 1 . . . . . 263 LEU H . 52564 1 614 . 1 . 1 129 129 LEU C C 13 179.650 0.3 . 1 . . . . . 263 LEU C . 52564 1 615 . 1 . 1 129 129 LEU CA C 13 58.120 0.3 . 1 . . . . . 263 LEU CA . 52564 1 616 . 1 . 1 129 129 LEU CB C 13 43.450 0.3 . 1 . . . . . 263 LEU CB . 52564 1 617 . 1 . 1 129 129 LEU N N 15 119.000 0.3 . 1 . . . . . 263 LEU N . 52564 1 618 . 1 . 1 130 130 LYS H H 1 8.831 0.020 . 1 . . . . . 264 LYS H . 52564 1 619 . 1 . 1 130 130 LYS C C 13 180.020 0.3 . 1 . . . . . 264 LYS C . 52564 1 620 . 1 . 1 130 130 LYS CA C 13 60.580 0.3 . 1 . . . . . 264 LYS CA . 52564 1 621 . 1 . 1 130 130 LYS CB C 13 32.460 0.3 . 1 . . . . . 264 LYS CB . 52564 1 622 . 1 . 1 130 130 LYS N N 15 118.184 0.3 . 1 . . . . . 264 LYS N . 52564 1 623 . 1 . 1 131 131 ASN H H 1 7.690 0.020 . 1 . . . . . 265 ASN H . 52564 1 624 . 1 . 1 131 131 ASN C C 13 177.010 0.3 . 1 . . . . . 265 ASN C . 52564 1 625 . 1 . 1 131 131 ASN CA C 13 57.660 0.3 . 1 . . . . . 265 ASN CA . 52564 1 626 . 1 . 1 131 131 ASN CB C 13 39.640 0.3 . 1 . . . . . 265 ASN CB . 52564 1 627 . 1 . 1 131 131 ASN N N 15 117.416 0.3 . 1 . . . . . 265 ASN N . 52564 1 628 . 1 . 1 132 132 MET H H 1 8.739 0.020 . 1 . . . . . 266 MET H . 52564 1 629 . 1 . 1 132 132 MET C C 13 178.400 0.3 . 1 . . . . . 266 MET C . 52564 1 630 . 1 . 1 132 132 MET CA C 13 61.020 0.3 . 1 . . . . . 266 MET CA . 52564 1 631 . 1 . 1 132 132 MET N N 15 115.865 0.3 . 1 . . . . . 266 MET N . 52564 1 632 . 1 . 1 133 133 TRP H H 1 8.204 0.020 . 1 . . . . . 267 TRP H . 52564 1 633 . 1 . 1 133 133 TRP C C 13 176.670 0.3 . 1 . . . . . 267 TRP C . 52564 1 634 . 1 . 1 133 133 TRP CA C 13 60.490 0.3 . 1 . . . . . 267 TRP CA . 52564 1 635 . 1 . 1 133 133 TRP CB C 13 31.700 0.3 . 1 . . . . . 267 TRP CB . 52564 1 636 . 1 . 1 133 133 TRP N N 15 117.400 0.3 . 1 . . . . . 267 TRP N . 52564 1 637 . 1 . 1 134 134 PHE H H 1 8.076 0.020 . 1 . . . . . 268 PHE H . 52564 1 638 . 1 . 1 134 134 PHE C C 13 178.310 0.3 . 1 . . . . . 268 PHE C . 52564 1 639 . 1 . 1 134 134 PHE CA C 13 58.630 0.3 . 1 . . . . . 268 PHE CA . 52564 1 640 . 1 . 1 134 134 PHE CB C 13 39.150 0.3 . 1 . . . . . 268 PHE CB . 52564 1 641 . 1 . 1 134 134 PHE N N 15 112.814 0.3 . 1 . . . . . 268 PHE N . 52564 1 642 . 1 . 1 135 135 GLY H H 1 8.247 0.020 . 1 . . . . . 269 GLY H . 52564 1 643 . 1 . 1 135 135 GLY C C 13 171.940 0.3 . 1 . . . . . 269 GLY C . 52564 1 644 . 1 . 1 135 135 GLY CA C 13 46.650 0.3 . 1 . . . . . 269 GLY CA . 52564 1 645 . 1 . 1 135 135 GLY N N 15 111.005 0.3 . 1 . . . . . 269 GLY N . 52564 1 646 . 1 . 1 136 136 LEU H H 1 7.820 0.020 . 1 . . . . . 270 LEU H . 52564 1 647 . 1 . 1 136 136 LEU C C 13 177.050 0.3 . 1 . . . . . 270 LEU C . 52564 1 648 . 1 . 1 136 136 LEU CA C 13 53.800 0.3 . 1 . . . . . 270 LEU CA . 52564 1 649 . 1 . 1 136 136 LEU CB C 13 44.960 0.3 . 1 . . . . . 270 LEU CB . 52564 1 650 . 1 . 1 136 136 LEU N N 15 119.721 0.3 . 1 . . . . . 270 LEU N . 52564 1 651 . 1 . 1 137 137 TYR H H 1 8.024 0.020 . 1 . . . . . 271 TYR H . 52564 1 652 . 1 . 1 137 137 TYR C C 13 174.350 0.3 . 1 . . . . . 271 TYR C . 52564 1 653 . 1 . 1 137 137 TYR CA C 13 56.160 0.3 . 1 . . . . . 271 TYR CA . 52564 1 654 . 1 . 1 137 137 TYR CB C 13 37.830 0.3 . 1 . . . . . 271 TYR CB . 52564 1 655 . 1 . 1 137 137 TYR N N 15 118.157 0.3 . 1 . . . . . 271 TYR N . 52564 1 656 . 1 . 1 138 138 SER H H 1 8.329 0.020 . 1 . . . . . 272 SER H . 52564 1 657 . 1 . 1 138 138 SER C C 13 176.040 0.3 . 1 . . . . . 272 SER C . 52564 1 658 . 1 . 1 138 138 SER CA C 13 56.600 0.3 . 1 . . . . . 272 SER CA . 52564 1 659 . 1 . 1 138 138 SER CB C 13 63.950 0.3 . 1 . . . . . 272 SER CB . 52564 1 660 . 1 . 1 138 138 SER N N 15 114.084 0.3 . 1 . . . . . 272 SER N . 52564 1 661 . 1 . 1 139 139 ARG H H 1 8.447 0.020 . 1 . . . . . 273 ARG H . 52564 1 662 . 1 . 1 139 139 ARG CA C 13 60.770 0.3 . 1 . . . . . 273 ARG CA . 52564 1 663 . 1 . 1 139 139 ARG N N 15 121.724 0.3 . 1 . . . . . 273 ARG N . 52564 1 664 . 1 . 1 141 141 ASN C C 13 174.900 0.3 . 1 . . . . . 275 ASN C . 52564 1 665 . 1 . 1 141 141 ASN CA C 13 54.350 0.3 . 1 . . . . . 275 ASN CA . 52564 1 666 . 1 . 1 142 142 GLU H H 1 7.672 0.020 . 1 . . . . . 276 GLU H . 52564 1 667 . 1 . 1 142 142 GLU C C 13 175.900 0.3 . 1 . . . . . 276 GLU C . 52564 1 668 . 1 . 1 142 142 GLU CA C 13 56.470 0.3 . 1 . . . . . 276 GLU CA . 52564 1 669 . 1 . 1 142 142 GLU CB C 13 32.290 0.3 . 1 . . . . . 276 GLU CB . 52564 1 670 . 1 . 1 142 142 GLU N N 15 118.585 0.3 . 1 . . . . . 276 GLU N . 52564 1 671 . 1 . 1 143 143 GLU H H 1 8.373 0.020 . 1 . . . . . 277 GLU H . 52564 1 672 . 1 . 1 143 143 GLU C C 13 178.240 0.3 . 1 . . . . . 277 GLU C . 52564 1 673 . 1 . 1 143 143 GLU CA C 13 56.510 0.3 . 1 . . . . . 277 GLU CA . 52564 1 674 . 1 . 1 143 143 GLU CB C 13 30.830 0.3 . 1 . . . . . 277 GLU CB . 52564 1 675 . 1 . 1 143 143 GLU N N 15 121.096 0.3 . 1 . . . . . 277 GLU N . 52564 1 676 . 1 . 1 144 144 GLY H H 1 8.522 0.020 . 1 . . . . . 278 GLY H . 52564 1 677 . 1 . 1 144 144 GLY C C 13 178.310 0.3 . 1 . . . . . 278 GLY C . 52564 1 678 . 1 . 1 144 144 GLY CA C 13 48.620 0.3 . 1 . . . . . 278 GLY CA . 52564 1 679 . 1 . 1 144 144 GLY N N 15 109.914 0.3 . 1 . . . . . 278 GLY N . 52564 1 680 . 1 . 1 145 145 ASP H H 1 8.344 0.020 . 1 . . . . . 279 ASP H . 52564 1 681 . 1 . 1 145 145 ASP C C 13 175.980 0.3 . 1 . . . . . 279 ASP C . 52564 1 682 . 1 . 1 145 145 ASP CA C 13 54.750 0.3 . 1 . . . . . 279 ASP CA . 52564 1 683 . 1 . 1 145 145 ASP N N 15 120.027 0.3 . 1 . . . . . 279 ASP N . 52564 1 684 . 1 . 1 146 146 SER H H 1 8.357 0.020 . 1 . . . . . 280 SER H . 52564 1 685 . 1 . 1 146 146 SER C C 13 172.210 0.3 . 1 . . . . . 280 SER C . 52564 1 686 . 1 . 1 146 146 SER CA C 13 57.500 0.3 . 1 . . . . . 280 SER CA . 52564 1 687 . 1 . 1 146 146 SER CB C 13 63.660 0.3 . 1 . . . . . 280 SER CB . 52564 1 688 . 1 . 1 146 146 SER N N 15 118.819 0.3 . 1 . . . . . 280 SER N . 52564 1 689 . 1 . 1 147 147 SER H H 1 7.309 0.020 . 1 . . . . . 281 SER H . 52564 1 690 . 1 . 1 147 147 SER CA C 13 57.280 0.3 . 1 . . . . . 281 SER CA . 52564 1 691 . 1 . 1 147 147 SER CB C 13 63.490 0.3 . 1 . . . . . 281 SER CB . 52564 1 692 . 1 . 1 147 147 SER N N 15 108.031 0.3 . 1 . . . . . 281 SER N . 52564 1 693 . 1 . 1 148 148 GLY C C 13 176.370 0.3 . 1 . . . . . 282 GLY C . 52564 1 694 . 1 . 1 148 148 GLY CA C 13 49.060 0.3 . 1 . . . . . 282 GLY CA . 52564 1 695 . 1 . 1 149 149 PHE H H 1 10.149 0.020 . 1 . . . . . 283 PHE H . 52564 1 696 . 1 . 1 149 149 PHE C C 13 177.430 0.3 . 1 . . . . . 283 PHE C . 52564 1 697 . 1 . 1 149 149 PHE CA C 13 62.120 0.3 . 1 . . . . . 283 PHE CA . 52564 1 698 . 1 . 1 149 149 PHE CB C 13 40.540 0.3 . 1 . . . . . 283 PHE CB . 52564 1 699 . 1 . 1 149 149 PHE N N 15 120.119 0.3 . 1 . . . . . 283 PHE N . 52564 1 700 . 1 . 1 150 150 GLU H H 1 7.495 0.020 . 1 . . . . . 284 GLU H . 52564 1 701 . 1 . 1 150 150 GLU C C 13 178.260 0.3 . 1 . . . . . 284 GLU C . 52564 1 702 . 1 . 1 150 150 GLU CA C 13 58.880 0.3 . 1 . . . . . 284 GLU CA . 52564 1 703 . 1 . 1 150 150 GLU CB C 13 28.060 0.3 . 1 . . . . . 284 GLU CB . 52564 1 704 . 1 . 1 150 150 GLU N N 15 116.422 0.3 . 1 . . . . . 284 GLU N . 52564 1 705 . 1 . 1 151 151 HIS H H 1 8.543 0.020 . 1 . . . . . 285 HIS H . 52564 1 706 . 1 . 1 151 151 HIS C C 13 175.540 0.3 . 1 . . . . . 285 HIS C . 52564 1 707 . 1 . 1 151 151 HIS CA C 13 61.700 0.3 . 1 . . . . . 285 HIS CA . 52564 1 708 . 1 . 1 151 151 HIS N N 15 117.337 0.3 . 1 . . . . . 285 HIS N . 52564 1 709 . 1 . 1 152 152 VAL H H 1 8.116 0.020 . 1 . . . . . 286 VAL H . 52564 1 710 . 1 . 1 152 152 VAL C C 13 176.000 0.3 . 1 . . . . . 286 VAL C . 52564 1 711 . 1 . 1 152 152 VAL CA C 13 67.440 0.3 . 1 . . . . . 286 VAL CA . 52564 1 712 . 1 . 1 152 152 VAL N N 15 114.216 0.3 . 1 . . . . . 286 VAL N . 52564 1 713 . 1 . 1 153 153 PHE H H 1 7.777 0.020 . 1 . . . . . 287 PHE H . 52564 1 714 . 1 . 1 153 153 PHE C C 13 175.680 0.3 . 1 . . . . . 287 PHE C . 52564 1 715 . 1 . 1 153 153 PHE CA C 13 61.010 0.3 . 1 . . . . . 287 PHE CA . 52564 1 716 . 1 . 1 153 153 PHE N N 15 112.567 0.3 . 1 . . . . . 287 PHE N . 52564 1 717 . 1 . 1 154 154 SER H H 1 7.072 0.020 . 1 . . . . . 288 SER H . 52564 1 718 . 1 . 1 154 154 SER C C 13 176.290 0.3 . 1 . . . . . 288 SER C . 52564 1 719 . 1 . 1 154 154 SER CA C 13 59.030 0.3 . 1 . . . . . 288 SER CA . 52564 1 720 . 1 . 1 154 154 SER CB C 13 64.830 0.3 . 1 . . . . . 288 SER CB . 52564 1 721 . 1 . 1 154 154 SER N N 15 111.115 0.3 . 1 . . . . . 288 SER N . 52564 1 722 . 1 . 1 155 155 GLY H H 1 8.040 0.020 . 1 . . . . . 289 GLY H . 52564 1 723 . 1 . 1 155 155 GLY C C 13 171.890 0.3 . 1 . . . . . 289 GLY C . 52564 1 724 . 1 . 1 155 155 GLY CA C 13 44.560 0.3 . 1 . . . . . 289 GLY CA . 52564 1 725 . 1 . 1 155 155 GLY N N 15 103.196 0.3 . 1 . . . . . 289 GLY N . 52564 1 726 . 1 . 1 156 156 GLU H H 1 8.545 0.020 . 1 . . . . . 290 GLU H . 52564 1 727 . 1 . 1 156 156 GLU C C 13 175.110 0.3 . 1 . . . . . 290 GLU C . 52564 1 728 . 1 . 1 156 156 GLU CA C 13 54.940 0.3 . 1 . . . . . 290 GLU CA . 52564 1 729 . 1 . 1 156 156 GLU CB C 13 36.130 0.3 . 1 . . . . . 290 GLU CB . 52564 1 730 . 1 . 1 156 156 GLU N N 15 117.941 0.3 . 1 . . . . . 290 GLU N . 52564 1 731 . 1 . 1 157 157 VAL H H 1 7.878 0.020 . 1 . . . . . 291 VAL H . 52564 1 732 . 1 . 1 157 157 VAL C C 13 175.210 0.3 . 1 . . . . . 291 VAL C . 52564 1 733 . 1 . 1 157 157 VAL CA C 13 60.530 0.3 . 1 . . . . . 291 VAL CA . 52564 1 734 . 1 . 1 157 157 VAL CB C 13 35.180 0.3 . 1 . . . . . 291 VAL CB . 52564 1 735 . 1 . 1 157 157 VAL N N 15 115.469 0.3 . 1 . . . . . 291 VAL N . 52564 1 736 . 1 . 1 158 158 LYS H H 1 8.575 0.020 . 1 . . . . . 292 LYS H . 52564 1 737 . 1 . 1 158 158 LYS C C 13 175.530 0.3 . 1 . . . . . 292 LYS C . 52564 1 738 . 1 . 1 158 158 LYS CA C 13 56.440 0.3 . 1 . . . . . 292 LYS CA . 52564 1 739 . 1 . 1 158 158 LYS CB C 13 35.890 0.3 . 1 . . . . . 292 LYS CB . 52564 1 740 . 1 . 1 158 158 LYS N N 15 125.220 0.3 . 1 . . . . . 292 LYS N . 52564 1 741 . 1 . 1 159 159 LYS C C 13 176.880 0.3 . 1 . . . . . 293 LYS C . 52564 1 742 . 1 . 1 159 159 LYS CA C 13 57.400 0.3 . 1 . . . . . 293 LYS CA . 52564 1 743 . 1 . 1 159 159 LYS CB C 13 30.780 0.3 . 1 . . . . . 293 LYS CB . 52564 1 744 . 1 . 1 160 160 GLY H H 1 8.377 0.020 . 1 . . . . . 294 GLY H . 52564 1 745 . 1 . 1 160 160 GLY C C 13 174.180 0.3 . 1 . . . . . 294 GLY C . 52564 1 746 . 1 . 1 160 160 GLY CA C 13 46.550 0.3 . 1 . . . . . 294 GLY CA . 52564 1 747 . 1 . 1 160 160 GLY N N 15 102.971 0.3 . 1 . . . . . 294 GLY N . 52564 1 748 . 1 . 1 161 161 LYS H H 1 7.981 0.020 . 1 . . . . . 295 LYS H . 52564 1 749 . 1 . 1 161 161 LYS C C 13 174.830 0.3 . 1 . . . . . 295 LYS C . 52564 1 750 . 1 . 1 161 161 LYS CA C 13 55.050 0.3 . 1 . . . . . 295 LYS CA . 52564 1 751 . 1 . 1 161 161 LYS CB C 13 36.910 0.3 . 1 . . . . . 295 LYS CB . 52564 1 752 . 1 . 1 161 161 LYS N N 15 119.869 0.3 . 1 . . . . . 295 LYS N . 52564 1 753 . 1 . 1 162 162 VAL H H 1 7.634 0.020 . 1 . . . . . 296 VAL H . 52564 1 754 . 1 . 1 162 162 VAL C C 13 175.730 0.3 . 1 . . . . . 296 VAL C . 52564 1 755 . 1 . 1 162 162 VAL CA C 13 62.370 0.3 . 1 . . . . . 296 VAL CA . 52564 1 756 . 1 . 1 162 162 VAL CB C 13 32.040 0.3 . 1 . . . . . 296 VAL CB . 52564 1 757 . 1 . 1 162 162 VAL N N 15 119.819 0.3 . 1 . . . . . 296 VAL N . 52564 1 758 . 1 . 1 163 163 THR H H 1 9.151 0.020 . 1 . . . . . 297 THR H . 52564 1 759 . 1 . 1 163 163 THR CA C 13 59.270 0.3 . 1 . . . . . 297 THR CA . 52564 1 760 . 1 . 1 163 163 THR CB C 13 70.290 0.3 . 1 . . . . . 297 THR CB . 52564 1 761 . 1 . 1 163 163 THR N N 15 123.053 0.3 . 1 . . . . . 297 THR N . 52564 1 762 . 1 . 1 164 164 GLY H H 1 8.514 0.020 . 1 . . . . . 298 GLY H . 52564 1 763 . 1 . 1 164 164 GLY C C 13 175.010 0.3 . 1 . . . . . 298 GLY C . 52564 1 764 . 1 . 1 164 164 GLY CA C 13 44.750 0.3 . 1 . . . . . 298 GLY CA . 52564 1 765 . 1 . 1 164 164 GLY N N 15 114.026 0.3 . 1 . . . . . 298 GLY N . 52564 1 766 . 1 . 1 165 165 PHE H H 1 7.915 0.020 . 1 . . . . . 299 PHE H . 52564 1 767 . 1 . 1 165 165 PHE C C 13 173.230 0.3 . 1 . . . . . 299 PHE C . 52564 1 768 . 1 . 1 165 165 PHE CA C 13 59.680 0.3 . 1 . . . . . 299 PHE CA . 52564 1 769 . 1 . 1 165 165 PHE CB C 13 38.420 0.3 . 1 . . . . . 299 PHE CB . 52564 1 770 . 1 . 1 165 165 PHE N N 15 119.616 0.3 . 1 . . . . . 299 PHE N . 52564 1 771 . 1 . 1 166 166 HIS H H 1 8.156 0.020 . 1 . . . . . 300 HIS H . 52564 1 772 . 1 . 1 166 166 HIS C C 13 174.390 0.3 . 1 . . . . . 300 HIS C . 52564 1 773 . 1 . 1 166 166 HIS CA C 13 54.480 0.3 . 1 . . . . . 300 HIS CA . 52564 1 774 . 1 . 1 166 166 HIS CB C 13 30.420 0.3 . 1 . . . . . 300 HIS CB . 52564 1 775 . 1 . 1 166 166 HIS N N 15 119.949 0.3 . 1 . . . . . 300 HIS N . 52564 1 776 . 1 . 1 167 167 ASN H H 1 8.216 0.020 . 1 . . . . . 301 ASN H . 52564 1 777 . 1 . 1 167 167 ASN C C 13 176.360 0.3 . 1 . . . . . 301 ASN C . 52564 1 778 . 1 . 1 167 167 ASN CA C 13 52.470 0.3 . 1 . . . . . 301 ASN CA . 52564 1 779 . 1 . 1 167 167 ASN N N 15 117.640 0.3 . 1 . . . . . 301 ASN N . 52564 1 780 . 1 . 1 168 168 TRP C C 13 175.840 0.3 . 1 . . . . . 302 TRP C . 52564 1 781 . 1 . 1 168 168 TRP CA C 13 60.000 0.3 . 1 . . . . . 302 TRP CA . 52564 1 782 . 1 . 1 168 168 TRP CB C 13 28.380 0.3 . 1 . . . . . 302 TRP CB . 52564 1 783 . 1 . 1 169 169 ILE H H 1 6.784 0.020 . 1 . . . . . 303 ILE H . 52564 1 784 . 1 . 1 169 169 ILE C C 13 177.470 0.3 . 1 . . . . . 303 ILE C . 52564 1 785 . 1 . 1 169 169 ILE CA C 13 65.840 0.3 . 1 . . . . . 303 ILE CA . 52564 1 786 . 1 . 1 169 169 ILE N N 15 125.710 0.3 . 1 . . . . . 303 ILE N . 52564 1 787 . 1 . 1 170 170 ARG H H 1 8.039 0.020 . 1 . . . . . 304 ARG H . 52564 1 788 . 1 . 1 170 170 ARG CA C 13 58.210 0.3 . 1 . . . . . 304 ARG CA . 52564 1 789 . 1 . 1 170 170 ARG CB C 13 31.190 0.3 . 1 . . . . . 304 ARG CB . 52564 1 790 . 1 . 1 170 170 ARG N N 15 119.256 0.3 . 1 . . . . . 304 ARG N . 52564 1 791 . 1 . 1 171 171 PHE H H 1 7.812 0.020 . 1 . . . . . 305 PHE H . 52564 1 792 . 1 . 1 171 171 PHE C C 13 176.690 0.3 . 1 . . . . . 305 PHE C . 52564 1 793 . 1 . 1 171 171 PHE CA C 13 62.730 0.3 . 1 . . . . . 305 PHE CA . 52564 1 794 . 1 . 1 171 171 PHE CB C 13 39.410 0.3 . 1 . . . . . 305 PHE CB . 52564 1 795 . 1 . 1 171 171 PHE N N 15 115.633 0.3 . 1 . . . . . 305 PHE N . 52564 1 796 . 1 . 1 172 172 TYR H H 1 9.006 0.020 . 1 . . . . . 306 TYR H . 52564 1 797 . 1 . 1 172 172 TYR C C 13 176.860 0.3 . 1 . . . . . 306 TYR C . 52564 1 798 . 1 . 1 172 172 TYR CA C 13 61.960 0.3 . 1 . . . . . 306 TYR CA . 52564 1 799 . 1 . 1 172 172 TYR CB C 13 37.740 0.3 . 1 . . . . . 306 TYR CB . 52564 1 800 . 1 . 1 172 172 TYR N N 15 119.293 0.3 . 1 . . . . . 306 TYR N . 52564 1 801 . 1 . 1 173 173 LEU H H 1 8.747 0.020 . 1 . . . . . 307 LEU H . 52564 1 802 . 1 . 1 173 173 LEU C C 13 180.990 0.3 . 1 . . . . . 307 LEU C . 52564 1 803 . 1 . 1 173 173 LEU CA C 13 58.190 0.3 . 1 . . . . . 307 LEU CA . 52564 1 804 . 1 . 1 173 173 LEU CB C 13 41.610 0.3 . 1 . . . . . 307 LEU CB . 52564 1 805 . 1 . 1 173 173 LEU N N 15 117.895 0.3 . 1 . . . . . 307 LEU N . 52564 1 806 . 1 . 1 174 174 GLU H H 1 7.855 0.020 . 1 . . . . . 308 GLU H . 52564 1 807 . 1 . 1 174 174 GLU C C 13 179.710 0.3 . 1 . . . . . 308 GLU C . 52564 1 808 . 1 . 1 174 174 GLU CA C 13 58.370 0.3 . 1 . . . . . 308 GLU CA . 52564 1 809 . 1 . 1 174 174 GLU CB C 13 31.510 0.3 . 1 . . . . . 308 GLU CB . 52564 1 810 . 1 . 1 174 174 GLU N N 15 116.769 0.3 . 1 . . . . . 308 GLU N . 52564 1 811 . 1 . 1 175 175 GLU H H 1 9.484 0.020 . 1 . . . . . 309 GLU H . 52564 1 812 . 1 . 1 175 175 GLU C C 13 180.910 0.3 . 1 . . . . . 309 GLU C . 52564 1 813 . 1 . 1 175 175 GLU CA C 13 60.710 0.3 . 1 . . . . . 309 GLU CA . 52564 1 814 . 1 . 1 175 175 GLU CB C 13 30.340 0.3 . 1 . . . . . 309 GLU CB . 52564 1 815 . 1 . 1 175 175 GLU N N 15 126.102 0.3 . 1 . . . . . 309 GLU N . 52564 1 816 . 1 . 1 176 176 LYS H H 1 8.994 0.020 . 1 . . . . . 310 LYS H . 52564 1 817 . 1 . 1 176 176 LYS C C 13 178.490 0.3 . 1 . . . . . 310 LYS C . 52564 1 818 . 1 . 1 176 176 LYS CA C 13 59.460 0.3 . 1 . . . . . 310 LYS CA . 52564 1 819 . 1 . 1 176 176 LYS CB C 13 32.140 0.3 . 1 . . . . . 310 LYS CB . 52564 1 820 . 1 . 1 176 176 LYS N N 15 122.585 0.3 . 1 . . . . . 310 LYS N . 52564 1 821 . 1 . 1 177 177 GLU H H 1 6.998 0.020 . 1 . . . . . 311 GLU H . 52564 1 822 . 1 . 1 177 177 GLU C C 13 176.800 0.3 . 1 . . . . . 311 GLU C . 52564 1 823 . 1 . 1 177 177 GLU CA C 13 55.690 0.3 . 1 . . . . . 311 GLU CA . 52564 1 824 . 1 . 1 177 177 GLU CB C 13 30.670 0.3 . 1 . . . . . 311 GLU CB . 52564 1 825 . 1 . 1 177 177 GLU N N 15 115.492 0.3 . 1 . . . . . 311 GLU N . 52564 1 826 . 1 . 1 178 178 GLY H H 1 8.145 0.020 . 1 . . . . . 312 GLY H . 52564 1 827 . 1 . 1 178 178 GLY C C 13 175.230 0.3 . 1 . . . . . 312 GLY C . 52564 1 828 . 1 . 1 178 178 GLY CA C 13 45.720 0.3 . 1 . . . . . 312 GLY CA . 52564 1 829 . 1 . 1 178 178 GLY N N 15 107.479 0.3 . 1 . . . . . 312 GLY N . 52564 1 830 . 1 . 1 179 179 LEU H H 1 8.250 0.020 . 1 . . . . . 313 LEU H . 52564 1 831 . 1 . 1 179 179 LEU C C 13 176.150 0.3 . 1 . . . . . 313 LEU C . 52564 1 832 . 1 . 1 179 179 LEU CA C 13 56.150 0.3 . 1 . . . . . 313 LEU CA . 52564 1 833 . 1 . 1 179 179 LEU CB C 13 43.880 0.3 . 1 . . . . . 313 LEU CB . 52564 1 834 . 1 . 1 179 179 LEU N N 15 119.450 0.3 . 1 . . . . . 313 LEU N . 52564 1 835 . 1 . 1 180 180 VAL H H 1 6.760 0.020 . 1 . . . . . 314 VAL H . 52564 1 836 . 1 . 1 180 180 VAL C C 13 173.810 0.3 . 1 . . . . . 314 VAL C . 52564 1 837 . 1 . 1 180 180 VAL CA C 13 60.360 0.3 . 1 . . . . . 314 VAL CA . 52564 1 838 . 1 . 1 180 180 VAL CB C 13 34.990 0.3 . 1 . . . . . 314 VAL CB . 52564 1 839 . 1 . 1 180 180 VAL N N 15 117.461 0.3 . 1 . . . . . 314 VAL N . 52564 1 840 . 1 . 1 181 181 ASP H H 1 8.874 0.020 . 1 . . . . . 315 ASP H . 52564 1 841 . 1 . 1 181 181 ASP C C 13 173.410 0.3 . 1 . . . . . 315 ASP C . 52564 1 842 . 1 . 1 181 181 ASP CA C 13 52.230 0.3 . 1 . . . . . 315 ASP CA . 52564 1 843 . 1 . 1 181 181 ASP CB C 13 43.450 0.3 . 1 . . . . . 315 ASP CB . 52564 1 844 . 1 . 1 181 181 ASP N N 15 126.081 0.3 . 1 . . . . . 315 ASP N . 52564 1 845 . 1 . 1 182 182 TYR CA C 13 55.920 0.3 . 1 . . . . . 316 TYR CA . 52564 1 846 . 1 . 1 183 183 TYR H H 1 8.304 0.020 . 1 . . . . . 317 TYR H . 52564 1 847 . 1 . 1 183 183 TYR C C 13 176.630 0.3 . 1 . . . . . 317 TYR C . 52564 1 848 . 1 . 1 183 183 TYR CA C 13 59.660 0.3 . 1 . . . . . 317 TYR CA . 52564 1 849 . 1 . 1 183 183 TYR CB C 13 41.270 0.3 . 1 . . . . . 317 TYR CB . 52564 1 850 . 1 . 1 183 183 TYR N N 15 120.259 0.3 . 1 . . . . . 317 TYR N . 52564 1 851 . 1 . 1 184 184 SER H H 1 8.353 0.020 . 1 . . . . . 318 SER H . 52564 1 852 . 1 . 1 184 184 SER CA C 13 56.470 0.3 . 1 . . . . . 318 SER CA . 52564 1 853 . 1 . 1 184 184 SER CB C 13 63.910 0.3 . 1 . . . . . 318 SER CB . 52564 1 854 . 1 . 1 184 184 SER N N 15 115.377 0.3 . 1 . . . . . 318 SER N . 52564 1 855 . 1 . 1 187 187 TYR C C 13 172.070 0.3 . 1 . . . . . 321 TYR C . 52564 1 856 . 1 . 1 188 188 ASP H H 1 7.843 0.020 . 1 . . . . . 322 ASP H . 52564 1 857 . 1 . 1 188 188 ASP C C 13 176.510 0.3 . 1 . . . . . 322 ASP C . 52564 1 858 . 1 . 1 188 188 ASP CA C 13 52.590 0.3 . 1 . . . . . 322 ASP CA . 52564 1 859 . 1 . 1 188 188 ASP N N 15 129.767 0.3 . 1 . . . . . 322 ASP N . 52564 1 860 . 1 . 1 189 189 GLY H H 1 9.089 0.020 . 1 . . . . . 323 GLY H . 52564 1 861 . 1 . 1 189 189 GLY C C 13 175.120 0.3 . 1 . . . . . 323 GLY C . 52564 1 862 . 1 . 1 189 189 GLY CA C 13 46.000 0.3 . 1 . . . . . 323 GLY CA . 52564 1 863 . 1 . 1 189 189 GLY N N 15 111.386 0.3 . 1 . . . . . 323 GLY N . 52564 1 864 . 1 . 1 190 190 PRO C C 13 175.800 0.3 . 1 . . . . . 324 PRO C . 52564 1 865 . 1 . 1 190 190 PRO CA C 13 64.120 0.3 . 1 . . . . . 324 PRO CA . 52564 1 866 . 1 . 1 190 190 PRO CB C 13 30.560 0.3 . 1 . . . . . 324 PRO CB . 52564 1 867 . 1 . 1 191 191 TRP H H 1 6.395 0.020 . 1 . . . . . 325 TRP H . 52564 1 868 . 1 . 1 191 191 TRP C C 13 175.580 0.3 . 1 . . . . . 325 TRP C . 52564 1 869 . 1 . 1 191 191 TRP CA C 13 63.050 0.3 . 1 . . . . . 325 TRP CA . 52564 1 870 . 1 . 1 191 191 TRP CB C 13 29.040 0.3 . 1 . . . . . 325 TRP CB . 52564 1 871 . 1 . 1 191 191 TRP N N 15 118.042 0.3 . 1 . . . . . 325 TRP N . 52564 1 872 . 1 . 1 192 192 ASP H H 1 8.780 0.020 . 1 . . . . . 326 ASP H . 52564 1 873 . 1 . 1 192 192 ASP C C 13 175.090 0.3 . 1 . . . . . 326 ASP C . 52564 1 874 . 1 . 1 192 192 ASP CA C 13 53.510 0.3 . 1 . . . . . 326 ASP CA . 52564 1 875 . 1 . 1 192 192 ASP CB C 13 41.350 0.3 . 1 . . . . . 326 ASP CB . 52564 1 876 . 1 . 1 192 192 ASP N N 15 124.807 0.3 . 1 . . . . . 326 ASP N . 52564 1 877 . 1 . 1 193 193 SER H H 1 7.502 0.020 . 1 . . . . . 327 SER H . 52564 1 878 . 1 . 1 193 193 SER C C 13 172.400 0.3 . 1 . . . . . 327 SER C . 52564 1 879 . 1 . 1 193 193 SER CA C 13 55.950 0.3 . 1 . . . . . 327 SER CA . 52564 1 880 . 1 . 1 193 193 SER CB C 13 64.600 0.3 . 1 . . . . . 327 SER CB . 52564 1 881 . 1 . 1 193 193 SER N N 15 113.998 0.3 . 1 . . . . . 327 SER N . 52564 1 882 . 1 . 1 194 194 TYR H H 1 7.540 0.020 . 1 . . . . . 328 TYR H . 52564 1 883 . 1 . 1 194 194 TYR C C 13 174.920 0.3 . 1 . . . . . 328 TYR C . 52564 1 884 . 1 . 1 194 194 TYR CA C 13 55.290 0.3 . 1 . . . . . 328 TYR CA . 52564 1 885 . 1 . 1 194 194 TYR CB C 13 35.980 0.3 . 1 . . . . . 328 TYR CB . 52564 1 886 . 1 . 1 194 194 TYR N N 15 116.372 0.3 . 1 . . . . . 328 TYR N . 52564 1 887 . 1 . 1 195 195 PRO C C 13 173.850 0.3 . 1 . . . . . 329 PRO C . 52564 1 888 . 1 . 1 195 195 PRO CA C 13 61.970 0.3 . 1 . . . . . 329 PRO CA . 52564 1 889 . 1 . 1 196 196 ASP H H 1 8.214 0.020 . 1 . . . . . 330 ASP H . 52564 1 890 . 1 . 1 196 196 ASP C C 13 175.440 0.3 . 1 . . . . . 330 ASP C . 52564 1 891 . 1 . 1 196 196 ASP CA C 13 50.000 0.3 . 1 . . . . . 330 ASP CA . 52564 1 892 . 1 . 1 196 196 ASP CB C 13 44.030 0.3 . 1 . . . . . 330 ASP CB . 52564 1 893 . 1 . 1 196 196 ASP N N 15 122.045 0.3 . 1 . . . . . 330 ASP N . 52564 1 894 . 1 . 1 197 197 VAL H H 1 9.449 0.020 . 1 . . . . . 331 VAL H . 52564 1 895 . 1 . 1 197 197 VAL C C 13 173.990 0.3 . 1 . . . . . 331 VAL C . 52564 1 896 . 1 . 1 197 197 VAL CA C 13 62.180 0.3 . 1 . . . . . 331 VAL CA . 52564 1 897 . 1 . 1 197 197 VAL CB C 13 38.000 0.3 . 1 . . . . . 331 VAL CB . 52564 1 898 . 1 . 1 197 197 VAL N N 15 121.151 0.3 . 1 . . . . . 331 VAL N . 52564 1 899 . 1 . 1 198 198 LEU H H 1 8.091 0.020 . 1 . . . . . 332 LEU H . 52564 1 900 . 1 . 1 198 198 LEU C C 13 175.920 0.3 . 1 . . . . . 332 LEU C . 52564 1 901 . 1 . 1 198 198 LEU CA C 13 53.710 0.3 . 1 . . . . . 332 LEU CA . 52564 1 902 . 1 . 1 198 198 LEU CB C 13 48.400 0.3 . 1 . . . . . 332 LEU CB . 52564 1 903 . 1 . 1 198 198 LEU N N 15 125.106 0.3 . 1 . . . . . 332 LEU N . 52564 1 904 . 1 . 1 199 199 ALA H H 1 8.209 0.020 . 1 . . . . . 333 ALA H . 52564 1 905 . 1 . 1 199 199 ALA CA C 13 51.610 0.3 . 1 . . . . . 333 ALA CA . 52564 1 906 . 1 . 1 199 199 ALA CB C 13 21.140 0.3 . 1 . . . . . 333 ALA CB . 52564 1 907 . 1 . 1 199 199 ALA N N 15 123.333 0.3 . 1 . . . . . 333 ALA N . 52564 1 908 . 1 . 1 200 200 MET C C 13 173.930 0.3 . 1 . . . . . 334 MET C . 52564 1 909 . 1 . 1 201 201 GLN H H 1 8.657 0.020 . 1 . . . . . 335 GLN H . 52564 1 910 . 1 . 1 201 201 GLN C C 13 177.200 0.3 . 1 . . . . . 335 GLN C . 52564 1 911 . 1 . 1 201 201 GLN CA C 13 55.220 0.3 . 1 . . . . . 335 GLN CA . 52564 1 912 . 1 . 1 201 201 GLN CB C 13 32.400 0.3 . 1 . . . . . 335 GLN CB . 52564 1 913 . 1 . 1 201 201 GLN N N 15 119.667 0.3 . 1 . . . . . 335 GLN N . 52564 1 914 . 1 . 1 202 202 PHE H H 1 7.970 0.020 . 1 . . . . . 336 PHE H . 52564 1 915 . 1 . 1 202 202 PHE C C 13 170.600 0.3 . 1 . . . . . 336 PHE C . 52564 1 916 . 1 . 1 202 202 PHE CA C 13 56.810 0.3 . 1 . . . . . 336 PHE CA . 52564 1 917 . 1 . 1 202 202 PHE CB C 13 40.780 0.3 . 1 . . . . . 336 PHE CB . 52564 1 918 . 1 . 1 202 202 PHE N N 15 115.492 0.3 . 1 . . . . . 336 PHE N . 52564 1 919 . 1 . 1 203 203 ASN H H 1 8.512 0.020 . 1 . . . . . 337 ASN H . 52564 1 920 . 1 . 1 203 203 ASN C C 13 174.920 0.3 . 1 . . . . . 337 ASN C . 52564 1 921 . 1 . 1 203 203 ASN CA C 13 51.790 0.3 . 1 . . . . . 337 ASN CA . 52564 1 922 . 1 . 1 203 203 ASN N N 15 118.756 0.3 . 1 . . . . . 337 ASN N . 52564 1 923 . 1 . 1 204 204 TRP H H 1 10.025 0.020 . 1 . . . . . 338 TRP H . 52564 1 924 . 1 . 1 204 204 TRP C C 13 175.530 0.3 . 1 . . . . . 338 TRP C . 52564 1 925 . 1 . 1 204 204 TRP CA C 13 53.250 0.3 . 1 . . . . . 338 TRP CA . 52564 1 926 . 1 . 1 204 204 TRP CB C 13 30.340 0.3 . 1 . . . . . 338 TRP CB . 52564 1 927 . 1 . 1 204 204 TRP N N 15 128.494 0.3 . 1 . . . . . 338 TRP N . 52564 1 928 . 1 . 1 205 205 ASP H H 1 9.171 0.020 . 1 . . . . . 339 ASP H . 52564 1 929 . 1 . 1 205 205 ASP C C 13 175.150 0.3 . 1 . . . . . 339 ASP C . 52564 1 930 . 1 . 1 205 205 ASP CA C 13 55.440 0.3 . 1 . . . . . 339 ASP CA . 52564 1 931 . 1 . 1 205 205 ASP CB C 13 41.680 0.3 . 1 . . . . . 339 ASP CB . 52564 1 932 . 1 . 1 205 205 ASP N N 15 129.856 0.3 . 1 . . . . . 339 ASP N . 52564 1 933 . 1 . 1 206 206 GLY H H 1 8.213 0.020 . 1 . . . . . 340 GLY H . 52564 1 934 . 1 . 1 206 206 GLY C C 13 173.720 0.3 . 1 . . . . . 340 GLY C . 52564 1 935 . 1 . 1 206 206 GLY CA C 13 45.040 0.3 . 1 . . . . . 340 GLY CA . 52564 1 936 . 1 . 1 206 206 GLY N N 15 105.170 0.3 . 1 . . . . . 340 GLY N . 52564 1 937 . 1 . 1 207 207 TYR H H 1 7.475 0.020 . 1 . . . . . 341 TYR H . 52564 1 938 . 1 . 1 207 207 TYR C C 13 173.660 0.3 . 1 . . . . . 341 TYR C . 52564 1 939 . 1 . 1 207 207 TYR CA C 13 57.040 0.3 . 1 . . . . . 341 TYR CA . 52564 1 940 . 1 . 1 207 207 TYR CB C 13 42.250 0.3 . 1 . . . . . 341 TYR CB . 52564 1 941 . 1 . 1 207 207 TYR N N 15 119.085 0.3 . 1 . . . . . 341 TYR N . 52564 1 942 . 1 . 1 208 208 TYR H H 1 9.152 0.020 . 1 . . . . . 342 TYR H . 52564 1 943 . 1 . 1 208 208 TYR C C 13 175.080 0.3 . 1 . . . . . 342 TYR C . 52564 1 944 . 1 . 1 208 208 TYR CA C 13 57.910 0.3 . 1 . . . . . 342 TYR CA . 52564 1 945 . 1 . 1 208 208 TYR CB C 13 41.600 0.3 . 1 . . . . . 342 TYR CB . 52564 1 946 . 1 . 1 208 208 TYR N N 15 123.972 0.3 . 1 . . . . . 342 TYR N . 52564 1 947 . 1 . 1 209 209 LYS H H 1 8.478 0.020 . 1 . . . . . 343 LYS H . 52564 1 948 . 1 . 1 209 209 LYS C C 13 172.240 0.3 . 1 . . . . . 343 LYS C . 52564 1 949 . 1 . 1 209 209 LYS CA C 13 53.350 0.3 . 1 . . . . . 343 LYS CA . 52564 1 950 . 1 . 1 209 209 LYS CB C 13 32.220 0.3 . 1 . . . . . 343 LYS CB . 52564 1 951 . 1 . 1 209 209 LYS N N 15 131.429 0.3 . 1 . . . . . 343 LYS N . 52564 1 952 . 1 . 1 210 210 GLU H H 1 7.774 0.020 . 1 . . . . . 344 GLU H . 52564 1 953 . 1 . 1 210 210 GLU C C 13 176.090 0.3 . 1 . . . . . 344 GLU C . 52564 1 954 . 1 . 1 210 210 GLU CA C 13 59.700 0.3 . 1 . . . . . 344 GLU CA . 52564 1 955 . 1 . 1 210 210 GLU CB C 13 30.180 0.3 . 1 . . . . . 344 GLU CB . 52564 1 956 . 1 . 1 210 210 GLU N N 15 126.294 0.3 . 1 . . . . . 344 GLU N . 52564 1 957 . 1 . 1 211 211 VAL H H 1 7.843 0.020 . 1 . . . . . 345 VAL H . 52564 1 958 . 1 . 1 211 211 VAL C C 13 175.140 0.3 . 1 . . . . . 345 VAL C . 52564 1 959 . 1 . 1 211 211 VAL CA C 13 62.730 0.3 . 1 . . . . . 345 VAL CA . 52564 1 960 . 1 . 1 211 211 VAL CB C 13 33.690 0.3 . 1 . . . . . 345 VAL CB . 52564 1 961 . 1 . 1 211 211 VAL N N 15 113.256 0.3 . 1 . . . . . 345 VAL N . 52564 1 962 . 1 . 1 212 212 GLY H H 1 9.623 0.020 . 1 . . . . . 346 GLY H . 52564 1 963 . 1 . 1 212 212 GLY CA C 13 46.530 0.3 . 1 . . . . . 346 GLY CA . 52564 1 964 . 1 . 1 212 212 GLY N N 15 116.369 0.3 . 1 . . . . . 346 GLY N . 52564 1 965 . 1 . 1 213 213 SER CA C 13 57.820 0.3 . 1 . . . . . 347 SER CA . 52564 1 966 . 1 . 1 214 214 ALA H H 1 8.811 0.020 . 1 . . . . . 348 ALA H . 52564 1 967 . 1 . 1 214 214 ALA C C 13 177.200 0.3 . 1 . . . . . 348 ALA C . 52564 1 968 . 1 . 1 214 214 ALA CA C 13 52.450 0.3 . 1 . . . . . 348 ALA CA . 52564 1 969 . 1 . 1 214 214 ALA CB C 13 22.590 0.3 . 1 . . . . . 348 ALA CB . 52564 1 970 . 1 . 1 214 214 ALA N N 15 125.806 0.3 . 1 . . . . . 348 ALA N . 52564 1 971 . 1 . 1 215 215 PHE H H 1 7.190 0.020 . 1 . . . . . 349 PHE H . 52564 1 972 . 1 . 1 215 215 PHE C C 13 177.660 0.3 . 1 . . . . . 349 PHE C . 52564 1 973 . 1 . 1 215 215 PHE CA C 13 58.640 0.3 . 1 . . . . . 349 PHE CA . 52564 1 974 . 1 . 1 215 215 PHE CB C 13 40.370 0.3 . 1 . . . . . 349 PHE CB . 52564 1 975 . 1 . 1 215 215 PHE N N 15 117.541 0.3 . 1 . . . . . 349 PHE N . 52564 1 976 . 1 . 1 216 216 ILE H H 1 9.239 0.020 . 1 . . . . . 350 ILE H . 52564 1 977 . 1 . 1 216 216 ILE C C 13 176.710 0.3 . 1 . . . . . 350 ILE C . 52564 1 978 . 1 . 1 216 216 ILE CA C 13 59.050 0.3 . 1 . . . . . 350 ILE CA . 52564 1 979 . 1 . 1 216 216 ILE CB C 13 38.580 0.3 . 1 . . . . . 350 ILE CB . 52564 1 980 . 1 . 1 216 216 ILE N N 15 119.725 0.3 . 1 . . . . . 350 ILE N . 52564 1 981 . 1 . 1 217 217 GLY C C 13 169.900 0.3 . 1 . . . . . 351 GLY C . 52564 1 982 . 1 . 1 217 217 GLY CA C 13 46.470 0.3 . 1 . . . . . 351 GLY CA . 52564 1 983 . 1 . 1 218 218 SER H H 1 7.383 0.020 . 1 . . . . . 352 SER H . 52564 1 984 . 1 . 1 218 218 SER C C 13 176.480 0.3 . 1 . . . . . 352 SER C . 52564 1 985 . 1 . 1 218 218 SER CA C 13 54.990 0.3 . 1 . . . . . 352 SER CA . 52564 1 986 . 1 . 1 218 218 SER CB C 13 63.850 0.3 . 1 . . . . . 352 SER CB . 52564 1 987 . 1 . 1 218 218 SER N N 15 106.976 0.3 . 1 . . . . . 352 SER N . 52564 1 988 . 1 . 1 219 219 SER H H 1 7.743 0.020 . 1 . . . . . 353 SER H . 52564 1 989 . 1 . 1 219 219 SER C C 13 175.940 0.3 . 1 . . . . . 353 SER C . 52564 1 990 . 1 . 1 219 219 SER CA C 13 56.650 0.3 . 1 . . . . . 353 SER CA . 52564 1 991 . 1 . 1 219 219 SER CB C 13 62.310 0.3 . 1 . . . . . 353 SER CB . 52564 1 992 . 1 . 1 219 219 SER N N 15 116.282 0.3 . 1 . . . . . 353 SER N . 52564 1 993 . 1 . 1 220 220 PRO C C 13 179.320 0.3 . 1 . . . . . 354 PRO C . 52564 1 994 . 1 . 1 220 220 PRO CA C 13 64.920 0.3 . 1 . . . . . 354 PRO CA . 52564 1 995 . 1 . 1 220 220 PRO CB C 13 31.620 0.3 . 1 . . . . . 354 PRO CB . 52564 1 996 . 1 . 1 221 221 GLU H H 1 10.526 0.020 . 1 . . . . . 355 GLU H . 52564 1 997 . 1 . 1 221 221 GLU C C 13 176.900 0.3 . 1 . . . . . 355 GLU C . 52564 1 998 . 1 . 1 221 221 GLU CA C 13 59.540 0.3 . 1 . . . . . 355 GLU CA . 52564 1 999 . 1 . 1 221 221 GLU CB C 13 27.080 0.3 . 1 . . . . . 355 GLU CB . 52564 1 1000 . 1 . 1 221 221 GLU N N 15 116.665 0.3 . 1 . . . . . 355 GLU N . 52564 1 1001 . 1 . 1 222 222 PHE H H 1 7.690 0.020 . 1 . . . . . 356 PHE H . 52564 1 1002 . 1 . 1 222 222 PHE C C 13 175.540 0.3 . 1 . . . . . 356 PHE C . 52564 1 1003 . 1 . 1 222 222 PHE CA C 13 62.030 0.3 . 1 . . . . . 356 PHE CA . 52564 1 1004 . 1 . 1 222 222 PHE CB C 13 39.570 0.3 . 1 . . . . . 356 PHE CB . 52564 1 1005 . 1 . 1 222 222 PHE N N 15 123.856 0.3 . 1 . . . . . 356 PHE N . 52564 1 1006 . 1 . 1 223 223 GLU H H 1 7.107 0.020 . 1 . . . . . 357 GLU H . 52564 1 1007 . 1 . 1 223 223 GLU C C 13 177.220 0.3 . 1 . . . . . 357 GLU C . 52564 1 1008 . 1 . 1 223 223 GLU CA C 13 59.790 0.3 . 1 . . . . . 357 GLU CA . 52564 1 1009 . 1 . 1 223 223 GLU CB C 13 29.930 0.3 . 1 . . . . . 357 GLU CB . 52564 1 1010 . 1 . 1 223 223 GLU N N 15 117.277 0.3 . 1 . . . . . 357 GLU N . 52564 1 1011 . 1 . 1 224 224 PHE H H 1 8.854 0.020 . 1 . . . . . 358 PHE H . 52564 1 1012 . 1 . 1 224 224 PHE C C 13 179.900 0.3 . 1 . . . . . 358 PHE C . 52564 1 1013 . 1 . 1 224 224 PHE CA C 13 63.190 0.3 . 1 . . . . . 358 PHE CA . 52564 1 1014 . 1 . 1 224 224 PHE CB C 13 40.370 0.3 . 1 . . . . . 358 PHE CB . 52564 1 1015 . 1 . 1 224 224 PHE N N 15 119.158 0.3 . 1 . . . . . 358 PHE N . 52564 1 1016 . 1 . 1 225 225 ALA H H 1 8.935 0.020 . 1 . . . . . 359 ALA H . 52564 1 1017 . 1 . 1 225 225 ALA C C 13 179.140 0.3 . 1 . . . . . 359 ALA C . 52564 1 1018 . 1 . 1 225 225 ALA CA C 13 55.630 0.3 . 1 . . . . . 359 ALA CA . 52564 1 1019 . 1 . 1 225 225 ALA CB C 13 19.660 0.3 . 1 . . . . . 359 ALA CB . 52564 1 1020 . 1 . 1 225 225 ALA N N 15 121.993 0.3 . 1 . . . . . 359 ALA N . 52564 1 1021 . 1 . 1 226 226 LEU H H 1 7.872 0.020 . 1 . . . . . 360 LEU H . 52564 1 1022 . 1 . 1 226 226 LEU C C 13 180.280 0.3 . 1 . . . . . 360 LEU C . 52564 1 1023 . 1 . 1 226 226 LEU CA C 13 58.350 0.3 . 1 . . . . . 360 LEU CA . 52564 1 1024 . 1 . 1 226 226 LEU CB C 13 41.600 0.3 . 1 . . . . . 360 LEU CB . 52564 1 1025 . 1 . 1 226 226 LEU N N 15 116.997 0.3 . 1 . . . . . 360 LEU N . 52564 1 1026 . 1 . 1 227 227 TYR H H 1 8.869 0.020 . 1 . . . . . 361 TYR H . 52564 1 1027 . 1 . 1 227 227 TYR C C 13 179.020 0.3 . 1 . . . . . 361 TYR C . 52564 1 1028 . 1 . 1 227 227 TYR CA C 13 60.140 0.3 . 1 . . . . . 361 TYR CA . 52564 1 1029 . 1 . 1 227 227 TYR CB C 13 37.760 0.3 . 1 . . . . . 361 TYR CB . 52564 1 1030 . 1 . 1 227 227 TYR N N 15 117.839 0.3 . 1 . . . . . 361 TYR N . 52564 1 1031 . 1 . 1 228 228 SER H H 1 8.146 0.020 . 1 . . . . . 362 SER H . 52564 1 1032 . 1 . 1 228 228 SER C C 13 175.050 0.3 . 1 . . . . . 362 SER C . 52564 1 1033 . 1 . 1 228 228 SER CA C 13 64.370 0.3 . 1 . . . . . 362 SER CA . 52564 1 1034 . 1 . 1 228 228 SER CB C 13 62.910 0.3 . 1 . . . . . 362 SER CB . 52564 1 1035 . 1 . 1 228 228 SER N N 15 113.909 0.3 . 1 . . . . . 362 SER N . 52564 1 1036 . 1 . 1 229 229 LEU H H 1 8.756 0.020 . 1 . . . . . 363 LEU H . 52564 1 1037 . 1 . 1 229 229 LEU CA C 13 59.150 0.3 . 1 . . . . . 363 LEU CA . 52564 1 1038 . 1 . 1 229 229 LEU CB C 13 41.520 0.3 . 1 . . . . . 363 LEU CB . 52564 1 1039 . 1 . 1 229 229 LEU N N 15 122.155 0.3 . 1 . . . . . 363 LEU N . 52564 1 1040 . 1 . 1 230 230 CYS H H 1 7.809 0.020 . 1 . . . . . 364 CYS H . 52564 1 1041 . 1 . 1 230 230 CYS C C 13 176.150 0.3 . 1 . . . . . 364 CYS C . 52564 1 1042 . 1 . 1 230 230 CYS CA C 13 64.130 0.3 . 1 . . . . . 364 CYS CA . 52564 1 1043 . 1 . 1 230 230 CYS CB C 13 26.710 0.3 . 1 . . . . . 364 CYS CB . 52564 1 1044 . 1 . 1 230 230 CYS N N 15 115.546 0.3 . 1 . . . . . 364 CYS N . 52564 1 1045 . 1 . 1 231 231 PHE H H 1 8.122 0.020 . 1 . . . . . 365 PHE H . 52564 1 1046 . 1 . 1 231 231 PHE C C 13 176.210 0.3 . 1 . . . . . 365 PHE C . 52564 1 1047 . 1 . 1 231 231 PHE CA C 13 61.460 0.3 . 1 . . . . . 365 PHE CA . 52564 1 1048 . 1 . 1 231 231 PHE CB C 13 39.840 0.3 . 1 . . . . . 365 PHE CB . 52564 1 1049 . 1 . 1 231 231 PHE N N 15 119.501 0.3 . 1 . . . . . 365 PHE N . 52564 1 1050 . 1 . 1 232 232 ILE H H 1 8.740 0.020 . 1 . . . . . 366 ILE H . 52564 1 1051 . 1 . 1 232 232 ILE C C 13 178.330 0.3 . 1 . . . . . 366 ILE C . 52564 1 1052 . 1 . 1 232 232 ILE CA C 13 64.560 0.3 . 1 . . . . . 366 ILE CA . 52564 1 1053 . 1 . 1 232 232 ILE CB C 13 39.590 0.3 . 1 . . . . . 366 ILE CB . 52564 1 1054 . 1 . 1 232 232 ILE N N 15 116.238 0.3 . 1 . . . . . 366 ILE N . 52564 1 1055 . 1 . 1 233 233 ALA H H 1 8.770 0.020 . 1 . . . . . 367 ALA H . 52564 1 1056 . 1 . 1 233 233 ALA C C 13 179.270 0.3 . 1 . . . . . 367 ALA C . 52564 1 1057 . 1 . 1 233 233 ALA CA C 13 54.450 0.3 . 1 . . . . . 367 ALA CA . 52564 1 1058 . 1 . 1 233 233 ALA CB C 13 20.380 0.3 . 1 . . . . . 367 ALA CB . 52564 1 1059 . 1 . 1 233 233 ALA N N 15 118.273 0.3 . 1 . . . . . 367 ALA N . 52564 1 1060 . 1 . 1 234 234 ARG H H 1 8.030 0.020 . 1 . . . . . 368 ARG H . 52564 1 1061 . 1 . 1 234 234 ARG C C 13 174.350 0.3 . 1 . . . . . 368 ARG C . 52564 1 1062 . 1 . 1 234 234 ARG CA C 13 52.000 0.3 . 1 . . . . . 368 ARG CA . 52564 1 1063 . 1 . 1 234 234 ARG CB C 13 29.583 0.3 . 1 . . . . . 368 ARG CB . 52564 1 1064 . 1 . 1 234 234 ARG N N 15 118.055 0.3 . 1 . . . . . 368 ARG N . 52564 1 1065 . 1 . 1 235 235 PRO C C 13 180.600 0.3 . 1 . . . . . 369 PRO C . 52564 1 1066 . 1 . 1 235 235 PRO CA C 13 64.230 0.3 . 1 . . . . . 369 PRO CA . 52564 1 1067 . 1 . 1 235 235 PRO CB C 13 30.060 0.3 . 1 . . . . . 369 PRO CB . 52564 1 1068 . 1 . 1 236 236 GLY H H 1 7.596 0.020 . 1 . . . . . 370 GLY H . 52564 1 1069 . 1 . 1 236 236 GLY C C 13 174.810 0.3 . 1 . . . . . 370 GLY C . 52564 1 1070 . 1 . 1 236 236 GLY CA C 13 46.770 0.3 . 1 . . . . . 370 GLY CA . 52564 1 1071 . 1 . 1 236 236 GLY N N 15 108.968 0.3 . 1 . . . . . 370 GLY N . 52564 1 1072 . 1 . 1 237 237 LYS H H 1 7.387 0.020 . 1 . . . . . 371 LYS H . 52564 1 1073 . 1 . 1 237 237 LYS C C 13 176.690 0.3 . 1 . . . . . 371 LYS C . 52564 1 1074 . 1 . 1 237 237 LYS CA C 13 53.870 0.3 . 1 . . . . . 371 LYS CA . 52564 1 1075 . 1 . 1 237 237 LYS CB C 13 36.050 0.3 . 1 . . . . . 371 LYS CB . 52564 1 1076 . 1 . 1 237 237 LYS N N 15 117.757 0.3 . 1 . . . . . 371 LYS N . 52564 1 1077 . 1 . 1 238 238 VAL H H 1 8.454 0.020 . 1 . . . . . 372 VAL H . 52564 1 1078 . 1 . 1 238 238 VAL C C 13 175.800 0.3 . 1 . . . . . 372 VAL C . 52564 1 1079 . 1 . 1 238 238 VAL CA C 13 63.110 0.3 . 1 . . . . . 372 VAL CA . 52564 1 1080 . 1 . 1 238 238 VAL CB C 13 32.060 0.3 . 1 . . . . . 372 VAL CB . 52564 1 1081 . 1 . 1 238 238 VAL N N 15 121.552 0.3 . 1 . . . . . 372 VAL N . 52564 1 1082 . 1 . 1 239 239 CYS H H 1 9.660 0.020 . 1 . . . . . 373 CYS H . 52564 1 1083 . 1 . 1 239 239 CYS C C 13 173.500 0.3 . 1 . . . . . 373 CYS C . 52564 1 1084 . 1 . 1 239 239 CYS CA C 13 58.350 0.3 . 1 . . . . . 373 CYS CA . 52564 1 1085 . 1 . 1 239 239 CYS CB C 13 29.700 0.3 . 1 . . . . . 373 CYS CB . 52564 1 1086 . 1 . 1 239 239 CYS N N 15 129.727 0.3 . 1 . . . . . 373 CYS N . 52564 1 1087 . 1 . 1 240 240 GLN H H 1 8.673 0.020 . 1 . . . . . 374 GLN H . 52564 1 1088 . 1 . 1 240 240 GLN C C 13 174.880 0.3 . 1 . . . . . 374 GLN C . 52564 1 1089 . 1 . 1 240 240 GLN CA C 13 56.000 0.3 . 1 . . . . . 374 GLN CA . 52564 1 1090 . 1 . 1 240 240 GLN CB C 13 28.790 0.3 . 1 . . . . . 374 GLN CB . 52564 1 1091 . 1 . 1 240 240 GLN N N 15 126.930 0.3 . 1 . . . . . 374 GLN N . 52564 1 1092 . 1 . 1 241 241 LEU H H 1 9.184 0.020 . 1 . . . . . 375 LEU H . 52564 1 1093 . 1 . 1 241 241 LEU C C 13 176.430 0.3 . 1 . . . . . 375 LEU C . 52564 1 1094 . 1 . 1 241 241 LEU CA C 13 53.510 0.3 . 1 . . . . . 375 LEU CA . 52564 1 1095 . 1 . 1 241 241 LEU CB C 13 44.040 0.3 . 1 . . . . . 375 LEU CB . 52564 1 1096 . 1 . 1 241 241 LEU N N 15 124.216 0.3 . 1 . . . . . 375 LEU N . 52564 1 1097 . 1 . 1 242 242 SER H H 1 7.510 0.020 . 1 . . . . . 376 SER H . 52564 1 1098 . 1 . 1 242 242 SER C C 13 173.870 0.3 . 1 . . . . . 376 SER C . 52564 1 1099 . 1 . 1 242 242 SER CA C 13 57.620 0.3 . 1 . . . . . 376 SER CA . 52564 1 1100 . 1 . 1 242 242 SER CB C 13 64.480 0.3 . 1 . . . . . 376 SER CB . 52564 1 1101 . 1 . 1 242 242 SER N N 15 113.667 0.3 . 1 . . . . . 376 SER N . 52564 1 1102 . 1 . 1 243 243 LEU H H 1 9.201 0.020 . 1 . . . . . 377 LEU H . 52564 1 1103 . 1 . 1 243 243 LEU C C 13 177.180 0.3 . 1 . . . . . 377 LEU C . 52564 1 1104 . 1 . 1 243 243 LEU CA C 13 53.020 0.3 . 1 . . . . . 377 LEU CA . 52564 1 1105 . 1 . 1 243 243 LEU CB C 13 44.090 0.3 . 1 . . . . . 377 LEU CB . 52564 1 1106 . 1 . 1 243 243 LEU N N 15 127.323 0.3 . 1 . . . . . 377 LEU N . 52564 1 1107 . 1 . 1 244 244 GLY H H 1 10.052 0.020 . 1 . . . . . 378 GLY H . 52564 1 1108 . 1 . 1 244 244 GLY C C 13 175.760 0.3 . 1 . . . . . 378 GLY C . 52564 1 1109 . 1 . 1 244 244 GLY CA C 13 47.520 0.3 . 1 . . . . . 378 GLY CA . 52564 1 1110 . 1 . 1 244 244 GLY N N 15 121.441 0.3 . 1 . . . . . 378 GLY N . 52564 1 1111 . 1 . 1 245 245 GLY H H 1 9.994 0.020 . 1 . . . . . 379 GLY H . 52564 1 1112 . 1 . 1 245 245 GLY C C 13 173.560 0.3 . 1 . . . . . 379 GLY C . 52564 1 1113 . 1 . 1 245 245 GLY CA C 13 44.580 0.3 . 1 . . . . . 379 GLY CA . 52564 1 1114 . 1 . 1 245 245 GLY N N 15 106.755 0.3 . 1 . . . . . 379 GLY N . 52564 1 1115 . 1 . 1 246 246 TYR H H 1 7.437 0.020 . 1 . . . . . 380 TYR H . 52564 1 1116 . 1 . 1 246 246 TYR C C 13 173.640 0.3 . 1 . . . . . 380 TYR C . 52564 1 1117 . 1 . 1 246 246 TYR CA C 13 54.900 0.3 . 1 . . . . . 380 TYR CA . 52564 1 1118 . 1 . 1 246 246 TYR N N 15 119.591 0.3 . 1 . . . . . 380 TYR N . 52564 1 1119 . 1 . 1 247 247 PRO C C 13 177.510 0.3 . 1 . . . . . 381 PRO C . 52564 1 1120 . 1 . 1 247 247 PRO CA C 13 62.250 0.3 . 1 . . . . . 381 PRO CA . 52564 1 1121 . 1 . 1 247 247 PRO CB C 13 33.050 0.3 . 1 . . . . . 381 PRO CB . 52564 1 1122 . 1 . 1 248 248 LEU H H 1 7.871 0.020 . 1 . . . . . 382 LEU H . 52564 1 1123 . 1 . 1 248 248 LEU C C 13 173.580 0.3 . 1 . . . . . 382 LEU C . 52564 1 1124 . 1 . 1 248 248 LEU CA C 13 55.190 0.3 . 1 . . . . . 382 LEU CA . 52564 1 1125 . 1 . 1 248 248 LEU CB C 13 46.130 0.3 . 1 . . . . . 382 LEU CB . 52564 1 1126 . 1 . 1 248 248 LEU N N 15 119.895 0.3 . 1 . . . . . 382 LEU N . 52564 1 1127 . 1 . 1 249 249 ALA H H 1 8.848 0.020 . 1 . . . . . 383 ALA H . 52564 1 1128 . 1 . 1 249 249 ALA C C 13 176.060 0.3 . 1 . . . . . 383 ALA C . 52564 1 1129 . 1 . 1 249 249 ALA CA C 13 50.900 0.3 . 1 . . . . . 383 ALA CA . 52564 1 1130 . 1 . 1 249 249 ALA CB C 13 20.720 0.3 . 1 . . . . . 383 ALA CB . 52564 1 1131 . 1 . 1 249 249 ALA N N 15 129.618 0.3 . 1 . . . . . 383 ALA N . 52564 1 1132 . 1 . 1 250 250 VAL H H 1 8.454 0.020 . 1 . . . . . 384 VAL H . 52564 1 1133 . 1 . 1 250 250 VAL C C 13 174.180 0.3 . 1 . . . . . 384 VAL C . 52564 1 1134 . 1 . 1 250 250 VAL CA C 13 60.300 0.3 . 1 . . . . . 384 VAL CA . 52564 1 1135 . 1 . 1 250 250 VAL CB C 13 36.620 0.3 . 1 . . . . . 384 VAL CB . 52564 1 1136 . 1 . 1 250 250 VAL N N 15 122.756 0.3 . 1 . . . . . 384 VAL N . 52564 1 1137 . 1 . 1 251 251 ARG H H 1 8.773 0.020 . 1 . . . . . 385 ARG H . 52564 1 1138 . 1 . 1 251 251 ARG C C 13 174.790 0.3 . 1 . . . . . 385 ARG C . 52564 1 1139 . 1 . 1 251 251 ARG CA C 13 53.470 0.3 . 1 . . . . . 385 ARG CA . 52564 1 1140 . 1 . 1 251 251 ARG CB C 13 32.950 0.3 . 1 . . . . . 385 ARG CB . 52564 1 1141 . 1 . 1 251 251 ARG N N 15 126.731 0.3 . 1 . . . . . 385 ARG N . 52564 1 1142 . 1 . 1 252 252 THR H H 1 6.667 0.020 . 1 . . . . . 386 THR H . 52564 1 1143 . 1 . 1 252 252 THR C C 13 173.300 0.3 . 1 . . . . . 386 THR C . 52564 1 1144 . 1 . 1 252 252 THR CA C 13 59.820 0.3 . 1 . . . . . 386 THR CA . 52564 1 1145 . 1 . 1 252 252 THR CB C 13 73.270 0.3 . 1 . . . . . 386 THR CB . 52564 1 1146 . 1 . 1 252 252 THR N N 15 110.394 0.3 . 1 . . . . . 386 THR N . 52564 1 1147 . 1 . 1 253 253 TYR H H 1 8.125 0.020 . 1 . . . . . 387 TYR H . 52564 1 1148 . 1 . 1 253 253 TYR C C 13 176.940 0.3 . 1 . . . . . 387 TYR C . 52564 1 1149 . 1 . 1 253 253 TYR CA C 13 57.340 0.3 . 1 . . . . . 387 TYR CA . 52564 1 1150 . 1 . 1 253 253 TYR CB C 13 42.820 0.3 . 1 . . . . . 387 TYR CB . 52564 1 1151 . 1 . 1 253 253 TYR N N 15 113.890 0.3 . 1 . . . . . 387 TYR N . 52564 1 1152 . 1 . 1 254 254 THR H H 1 8.967 0.020 . 1 . . . . . 388 THR H . 52564 1 1153 . 1 . 1 254 254 THR C C 13 174.620 0.3 . 1 . . . . . 388 THR C . 52564 1 1154 . 1 . 1 254 254 THR CA C 13 60.690 0.3 . 1 . . . . . 388 THR CA . 52564 1 1155 . 1 . 1 254 254 THR CB C 13 69.740 0.3 . 1 . . . . . 388 THR CB . 52564 1 1156 . 1 . 1 254 254 THR N N 15 112.757 0.3 . 1 . . . . . 388 THR N . 52564 1 1157 . 1 . 1 255 255 TRP H H 1 8.793 0.020 . 1 . . . . . 389 TRP H . 52564 1 1158 . 1 . 1 255 255 TRP C C 13 176.900 0.3 . 1 . . . . . 389 TRP C . 52564 1 1159 . 1 . 1 255 255 TRP CA C 13 57.130 0.3 . 1 . . . . . 389 TRP CA . 52564 1 1160 . 1 . 1 255 255 TRP CB C 13 29.560 0.3 . 1 . . . . . 389 TRP CB . 52564 1 1161 . 1 . 1 255 255 TRP N N 15 123.431 0.3 . 1 . . . . . 389 TRP N . 52564 1 1162 . 1 . 1 256 256 ASP H H 1 7.708 0.020 . 1 . . . . . 390 ASP H . 52564 1 1163 . 1 . 1 256 256 ASP C C 13 177.150 0.3 . 1 . . . . . 390 ASP C . 52564 1 1164 . 1 . 1 256 256 ASP CA C 13 54.890 0.3 . 1 . . . . . 390 ASP CA . 52564 1 1165 . 1 . 1 256 256 ASP N N 15 124.912 0.3 . 1 . . . . . 390 ASP N . 52564 1 1166 . 1 . 1 257 257 LYS C C 13 176.040 0.3 . 1 . . . . . 391 LYS C . 52564 1 1167 . 1 . 1 257 257 LYS CA C 13 57.320 0.3 . 1 . . . . . 391 LYS CA . 52564 1 1168 . 1 . 1 257 257 LYS CB C 13 33.210 0.3 . 1 . . . . . 391 LYS CB . 52564 1 1169 . 1 . 1 258 258 SER H H 1 7.500 0.020 . 1 . . . . . 392 SER H . 52564 1 1170 . 1 . 1 258 258 SER C C 13 173.460 0.3 . 1 . . . . . 392 SER C . 52564 1 1171 . 1 . 1 258 258 SER CA C 13 57.810 0.3 . 1 . . . . . 392 SER CA . 52564 1 1172 . 1 . 1 258 258 SER CB C 13 65.170 0.3 . 1 . . . . . 392 SER CB . 52564 1 1173 . 1 . 1 258 258 SER N N 15 111.802 0.3 . 1 . . . . . 392 SER N . 52564 1 1174 . 1 . 1 259 259 THR H H 1 8.476 0.020 . 1 . . . . . 393 THR H . 52564 1 1175 . 1 . 1 259 259 THR C C 13 173.240 0.3 . 1 . . . . . 393 THR C . 52564 1 1176 . 1 . 1 259 259 THR CA C 13 61.010 0.3 . 1 . . . . . 393 THR CA . 52564 1 1177 . 1 . 1 259 259 THR CB C 13 73.570 0.3 . 1 . . . . . 393 THR CB . 52564 1 1178 . 1 . 1 259 259 THR N N 15 110.631 0.3 . 1 . . . . . 393 THR N . 52564 1 1179 . 1 . 1 260 260 TYR H H 1 8.500 0.020 . 1 . . . . . 394 TYR H . 52564 1 1180 . 1 . 1 260 260 TYR C C 13 174.580 0.3 . 1 . . . . . 394 TYR C . 52564 1 1181 . 1 . 1 260 260 TYR CA C 13 55.910 0.3 . 1 . . . . . 394 TYR CA . 52564 1 1182 . 1 . 1 260 260 TYR CB C 13 40.620 0.3 . 1 . . . . . 394 TYR CB . 52564 1 1183 . 1 . 1 260 260 TYR N N 15 117.035 0.3 . 1 . . . . . 394 TYR N . 52564 1 1184 . 1 . 1 261 261 GLY H H 1 8.783 0.020 . 1 . . . . . 395 GLY H . 52564 1 1185 . 1 . 1 261 261 GLY C C 13 175.410 0.3 . 1 . . . . . 395 GLY C . 52564 1 1186 . 1 . 1 261 261 GLY CA C 13 47.060 0.3 . 1 . . . . . 395 GLY CA . 52564 1 1187 . 1 . 1 261 261 GLY N N 15 107.783 0.3 . 1 . . . . . 395 GLY N . 52564 1 1188 . 1 . 1 262 262 ASN C C 13 175.630 0.3 . 1 . . . . . 396 ASN C . 52564 1 1189 . 1 . 1 262 262 ASN CA C 13 52.260 0.3 . 1 . . . . . 396 ASN CA . 52564 1 1190 . 1 . 1 262 262 ASN CB C 13 36.670 0.3 . 1 . . . . . 396 ASN CB . 52564 1 1191 . 1 . 1 263 263 GLY H H 1 7.822 0.020 . 1 . . . . . 397 GLY H . 52564 1 1192 . 1 . 1 263 263 GLY C C 13 174.520 0.3 . 1 . . . . . 397 GLY C . 52564 1 1193 . 1 . 1 263 263 GLY CA C 13 46.400 0.3 . 1 . . . . . 397 GLY CA . 52564 1 1194 . 1 . 1 263 263 GLY N N 15 107.815 0.3 . 1 . . . . . 397 GLY N . 52564 1 1195 . 1 . 1 264 264 LYS H H 1 8.118 0.020 . 1 . . . . . 398 LYS H . 52564 1 1196 . 1 . 1 264 264 LYS C C 13 175.210 0.3 . 1 . . . . . 398 LYS C . 52564 1 1197 . 1 . 1 264 264 LYS CA C 13 56.280 0.3 . 1 . . . . . 398 LYS CA . 52564 1 1198 . 1 . 1 264 264 LYS CB C 13 30.670 0.3 . 1 . . . . . 398 LYS CB . 52564 1 1199 . 1 . 1 264 264 LYS N N 15 120.985 0.3 . 1 . . . . . 398 LYS N . 52564 1 1200 . 1 . 1 265 265 LYS H H 1 7.879 0.020 . 1 . . . . . 399 LYS H . 52564 1 1201 . 1 . 1 265 265 LYS C C 13 177.860 0.3 . 1 . . . . . 399 LYS C . 52564 1 1202 . 1 . 1 265 265 LYS CA C 13 54.460 0.3 . 1 . . . . . 399 LYS CA . 52564 1 1203 . 1 . 1 265 265 LYS N N 15 116.642 0.3 . 1 . . . . . 399 LYS N . 52564 1 1204 . 1 . 1 266 266 TYR H H 1 9.676 0.020 . 1 . . . . . 400 TYR H . 52564 1 1205 . 1 . 1 266 266 TYR C C 13 176.480 0.3 . 1 . . . . . 400 TYR C . 52564 1 1206 . 1 . 1 266 266 TYR CA C 13 58.350 0.3 . 1 . . . . . 400 TYR CA . 52564 1 1207 . 1 . 1 266 266 TYR N N 15 120.425 0.3 . 1 . . . . . 400 TYR N . 52564 1 1208 . 1 . 1 267 267 ILE H H 1 7.398 0.020 . 1 . . . . . 401 ILE H . 52564 1 1209 . 1 . 1 267 267 ILE C C 13 176.490 0.3 . 1 . . . . . 401 ILE C . 52564 1 1210 . 1 . 1 267 267 ILE CA C 13 62.890 0.3 . 1 . . . . . 401 ILE CA . 52564 1 1211 . 1 . 1 267 267 ILE N N 15 120.090 0.3 . 1 . . . . . 401 ILE N . 52564 1 1212 . 1 . 1 268 268 ALA H H 1 8.451 0.020 . 1 . . . . . 402 ALA H . 52564 1 1213 . 1 . 1 268 268 ALA C C 13 177.200 0.3 . 1 . . . . . 402 ALA C . 52564 1 1214 . 1 . 1 268 268 ALA CA C 13 53.140 0.3 . 1 . . . . . 402 ALA CA . 52564 1 1215 . 1 . 1 268 268 ALA CB C 13 19.880 0.3 . 1 . . . . . 402 ALA CB . 52564 1 1216 . 1 . 1 268 268 ALA N N 15 129.229 0.3 . 1 . . . . . 402 ALA N . 52564 1 1217 . 1 . 1 269 269 THR H H 1 7.218 0.020 . 1 . . . . . 403 THR H . 52564 1 1218 . 1 . 1 269 269 THR C C 13 169.900 0.3 . 1 . . . . . 403 THR C . 52564 1 1219 . 1 . 1 269 269 THR CA C 13 60.040 0.3 . 1 . . . . . 403 THR CA . 52564 1 1220 . 1 . 1 269 269 THR CB C 13 67.020 0.3 . 1 . . . . . 403 THR CB . 52564 1 1221 . 1 . 1 269 269 THR N N 15 104.964 0.3 . 1 . . . . . 403 THR N . 52564 1 1222 . 1 . 1 270 270 ALA H H 1 7.216 0.020 . 1 . . . . . 404 ALA H . 52564 1 1223 . 1 . 1 270 270 ALA C C 13 173.870 0.3 . 1 . . . . . 404 ALA C . 52564 1 1224 . 1 . 1 270 270 ALA CA C 13 51.550 0.3 . 1 . . . . . 404 ALA CA . 52564 1 1225 . 1 . 1 270 270 ALA CB C 13 22.680 0.3 . 1 . . . . . 404 ALA CB . 52564 1 1226 . 1 . 1 270 270 ALA N N 15 128.135 0.3 . 1 . . . . . 404 ALA N . 52564 1 1227 . 1 . 1 271 271 TYR H H 1 8.291 0.020 . 1 . . . . . 405 TYR H . 52564 1 1228 . 1 . 1 271 271 TYR C C 13 173.680 0.3 . 1 . . . . . 405 TYR C . 52564 1 1229 . 1 . 1 271 271 TYR CA C 13 56.130 0.3 . 1 . . . . . 405 TYR CA . 52564 1 1230 . 1 . 1 271 271 TYR N N 15 111.767 0.3 . 1 . . . . . 405 TYR N . 52564 1 1231 . 1 . 1 272 272 ILE H H 1 8.999 0.020 . 1 . . . . . 406 ILE H . 52564 1 1232 . 1 . 1 272 272 ILE C C 13 176.670 0.3 . 1 . . . . . 406 ILE C . 52564 1 1233 . 1 . 1 272 272 ILE CA C 13 61.740 0.3 . 1 . . . . . 406 ILE CA . 52564 1 1234 . 1 . 1 272 272 ILE CB C 13 40.370 0.3 . 1 . . . . . 406 ILE CB . 52564 1 1235 . 1 . 1 272 272 ILE N N 15 121.721 0.3 . 1 . . . . . 406 ILE N . 52564 1 1236 . 1 . 1 273 273 VAL H H 1 8.703 0.020 . 1 . . . . . 407 VAL H . 52564 1 1237 . 1 . 1 273 273 VAL C C 13 175.860 0.3 . 1 . . . . . 407 VAL C . 52564 1 1238 . 1 . 1 273 273 VAL CA C 13 62.560 0.3 . 1 . . . . . 407 VAL CA . 52564 1 1239 . 1 . 1 273 273 VAL CB C 13 32.950 0.3 . 1 . . . . . 407 VAL CB . 52564 1 1240 . 1 . 1 273 273 VAL N N 15 128.783 0.3 . 1 . . . . . 407 VAL N . 52564 1 1241 . 1 . 1 274 274 SER H H 1 8.427 0.020 . 1 . . . . . 408 SER H . 52564 1 1242 . 1 . 1 274 274 SER C C 13 174.160 0.3 . 1 . . . . . 408 SER C . 52564 1 1243 . 1 . 1 274 274 SER CA C 13 58.670 0.3 . 1 . . . . . 408 SER CA . 52564 1 1244 . 1 . 1 274 274 SER CB C 13 63.990 0.3 . 1 . . . . . 408 SER CB . 52564 1 1245 . 1 . 1 274 274 SER N N 15 121.135 0.3 . 1 . . . . . 408 SER N . 52564 1 1246 . 1 . 1 275 275 SER H H 1 7.824 0.020 . 1 . . . . . 409 SER H . 52564 1 1247 . 1 . 1 275 275 SER C C 13 173.600 0.3 . 1 . . . . . 409 SER C . 52564 1 1248 . 1 . 1 275 275 SER CA C 13 58.230 0.3 . 1 . . . . . 409 SER CA . 52564 1 1249 . 1 . 1 275 275 SER CB C 13 63.990 0.3 . 1 . . . . . 409 SER CB . 52564 1 1250 . 1 . 1 275 275 SER N N 15 117.765 0.3 . 1 . . . . . 409 SER N . 52564 1 1251 . 1 . 1 276 276 THR H H 1 7.711 0.020 . 1 . . . . . 410 THR H . 52564 1 1252 . 1 . 1 276 276 THR C C 13 179.210 0.3 . 1 . . . . . 410 THR C . 52564 1 1253 . 1 . 1 276 276 THR CA C 13 63.220 0.3 . 1 . . . . . 410 THR CA . 52564 1 1254 . 1 . 1 276 276 THR CB C 13 70.880 0.3 . 1 . . . . . 410 THR CB . 52564 1 1255 . 1 . 1 276 276 THR N N 15 120.030 0.3 . 1 . . . . . 410 THR N . 52564 1 stop_ save_