data_30456 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30456 _Entry.Title ; Solution structure of Trigger Factor dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-22 _Entry.Accession_date 2018-04-22 _Entry.Last_release_date 2018-04-26 _Entry.Original_release_date 2018-04-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30456 stop_ 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 T. Saio T. . . . 30456 2 S. Kawagoe S. . . . 30456 3 K. Ishimori K. . . . 30456 4 C. Kalodimos C. G. . . 30456 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30456 'molecular chaperone' . 30456 oligomerization . 30456 'protein folding' . 30456 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30456 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 30456 '15N chemical shifts' 331 30456 '1H chemical shifts' 1059 30456 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-05-21 2018-04-22 update BMRB 'update entry citation' 30456 1 . . 2018-06-07 2018-04-22 original author 'original release' 30456 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6D6S . 30456 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30456 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.7554/eLife.35731 _Citation.PubMed_ID 29714686 _Citation.Full_citation . _Citation.Title ; Oligomerization of a molecular chaperone modulates its activity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _Citation.Journal_CSD 0353 _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 e35731 _Citation.Page_last e35731 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Saio T. . . . 30456 1 2 S. Kawagoe S. . . . 30456 1 3 K. Ishimori K. . . . 30456 1 4 C. Kalodimos C. G. . . 30456 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30456 _Assembly.ID 1 _Assembly.Name 'Trigger factor (E.C.5.2.1.8)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 30456 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 30456 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30456 _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 A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNHKVHHHHHHMQVSVETTQ GLGRRVTITIAADSIETAVK SELVNVAKKVRIDGFRKGKV PMNIVAQRYGASVRQDVLGD LMSRNFIDAIIKEKINPAGA PTYVPGEYKLGEDFTYSVEF EVYPEVELQGLEAIEVEKPI VEVTDADVDGMLDTLRKQQA TWKEKDGAVEAEDRVTIDFT GSVDGEEFEGGKASDFVLAM GQGRMIPGFEDGIKGHKAGE EFTIDVTFPEEYHAENLKGK AAKFAINLKKVEERELPELT AEFIKRFGVEDGSVEGLRAE VRKNMERELKSAIRNRVKSQ AIEGLVKANDIDVPAALIDS EIDVLRRQAAQRFGGNEKQA LELPRELFEEQAKRRVVVGL LLGEVIRTNELKADEERVKG LIEEMASAYEDPKEVIEFYS KNKELMDNMRNVALEEQAVE AVLAKAKVTEKETTFNELMN QQA ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 443 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 49696.199 _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 PPIase na 30456 1 TF na 30456 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 -10 MET . 30456 1 2 -9 ASN . 30456 1 3 -8 HIS . 30456 1 4 -7 LYS . 30456 1 5 -6 VAL . 30456 1 6 -5 HIS . 30456 1 7 -4 HIS . 30456 1 8 -3 HIS . 30456 1 9 -2 HIS . 30456 1 10 -1 HIS . 30456 1 11 0 HIS . 30456 1 12 1 MET . 30456 1 13 2 GLN . 30456 1 14 3 VAL . 30456 1 15 4 SER . 30456 1 16 5 VAL . 30456 1 17 6 GLU . 30456 1 18 7 THR . 30456 1 19 8 THR . 30456 1 20 9 GLN . 30456 1 21 10 GLY . 30456 1 22 11 LEU . 30456 1 23 12 GLY . 30456 1 24 13 ARG . 30456 1 25 14 ARG . 30456 1 26 15 VAL . 30456 1 27 16 THR . 30456 1 28 17 ILE . 30456 1 29 18 THR . 30456 1 30 19 ILE . 30456 1 31 20 ALA . 30456 1 32 21 ALA . 30456 1 33 22 ASP . 30456 1 34 23 SER . 30456 1 35 24 ILE . 30456 1 36 25 GLU . 30456 1 37 26 THR . 30456 1 38 27 ALA . 30456 1 39 28 VAL . 30456 1 40 29 LYS . 30456 1 41 30 SER . 30456 1 42 31 GLU . 30456 1 43 32 LEU . 30456 1 44 33 VAL . 30456 1 45 34 ASN . 30456 1 46 35 VAL . 30456 1 47 36 ALA . 30456 1 48 37 LYS . 30456 1 49 38 LYS . 30456 1 50 39 VAL . 30456 1 51 40 ARG . 30456 1 52 41 ILE . 30456 1 53 42 ASP . 30456 1 54 43 GLY . 30456 1 55 44 PHE . 30456 1 56 45 ARG . 30456 1 57 46 LYS . 30456 1 58 47 GLY . 30456 1 59 48 LYS . 30456 1 60 49 VAL . 30456 1 61 50 PRO . 30456 1 62 51 MET . 30456 1 63 52 ASN . 30456 1 64 53 ILE . 30456 1 65 54 VAL . 30456 1 66 55 ALA . 30456 1 67 56 GLN . 30456 1 68 57 ARG . 30456 1 69 58 TYR . 30456 1 70 59 GLY . 30456 1 71 60 ALA . 30456 1 72 61 SER . 30456 1 73 62 VAL . 30456 1 74 63 ARG . 30456 1 75 64 GLN . 30456 1 76 65 ASP . 30456 1 77 66 VAL . 30456 1 78 67 LEU . 30456 1 79 68 GLY . 30456 1 80 69 ASP . 30456 1 81 70 LEU . 30456 1 82 71 MET . 30456 1 83 72 SER . 30456 1 84 73 ARG . 30456 1 85 74 ASN . 30456 1 86 75 PHE . 30456 1 87 76 ILE . 30456 1 88 77 ASP . 30456 1 89 78 ALA . 30456 1 90 79 ILE . 30456 1 91 80 ILE . 30456 1 92 81 LYS . 30456 1 93 82 GLU . 30456 1 94 83 LYS . 30456 1 95 84 ILE . 30456 1 96 85 ASN . 30456 1 97 86 PRO . 30456 1 98 87 ALA . 30456 1 99 88 GLY . 30456 1 100 89 ALA . 30456 1 101 90 PRO . 30456 1 102 91 THR . 30456 1 103 92 TYR . 30456 1 104 93 VAL . 30456 1 105 94 PRO . 30456 1 106 95 GLY . 30456 1 107 96 GLU . 30456 1 108 97 TYR . 30456 1 109 98 LYS . 30456 1 110 99 LEU . 30456 1 111 100 GLY . 30456 1 112 101 GLU . 30456 1 113 102 ASP . 30456 1 114 103 PHE . 30456 1 115 104 THR . 30456 1 116 105 TYR . 30456 1 117 106 SER . 30456 1 118 107 VAL . 30456 1 119 108 GLU . 30456 1 120 109 PHE . 30456 1 121 110 GLU . 30456 1 122 111 VAL . 30456 1 123 112 TYR . 30456 1 124 113 PRO . 30456 1 125 114 GLU . 30456 1 126 115 VAL . 30456 1 127 116 GLU . 30456 1 128 117 LEU . 30456 1 129 118 GLN . 30456 1 130 119 GLY . 30456 1 131 120 LEU . 30456 1 132 121 GLU . 30456 1 133 122 ALA . 30456 1 134 123 ILE . 30456 1 135 124 GLU . 30456 1 136 125 VAL . 30456 1 137 126 GLU . 30456 1 138 127 LYS . 30456 1 139 128 PRO . 30456 1 140 129 ILE . 30456 1 141 130 VAL . 30456 1 142 131 GLU . 30456 1 143 132 VAL . 30456 1 144 133 THR . 30456 1 145 134 ASP . 30456 1 146 135 ALA . 30456 1 147 136 ASP . 30456 1 148 137 VAL . 30456 1 149 138 ASP . 30456 1 150 139 GLY . 30456 1 151 140 MET . 30456 1 152 141 LEU . 30456 1 153 142 ASP . 30456 1 154 143 THR . 30456 1 155 144 LEU . 30456 1 156 145 ARG . 30456 1 157 146 LYS . 30456 1 158 147 GLN . 30456 1 159 148 GLN . 30456 1 160 149 ALA . 30456 1 161 150 THR . 30456 1 162 151 TRP . 30456 1 163 152 LYS . 30456 1 164 153 GLU . 30456 1 165 154 LYS . 30456 1 166 155 ASP . 30456 1 167 156 GLY . 30456 1 168 157 ALA . 30456 1 169 158 VAL . 30456 1 170 159 GLU . 30456 1 171 160 ALA . 30456 1 172 161 GLU . 30456 1 173 162 ASP . 30456 1 174 163 ARG . 30456 1 175 164 VAL . 30456 1 176 165 THR . 30456 1 177 166 ILE . 30456 1 178 167 ASP . 30456 1 179 168 PHE . 30456 1 180 169 THR . 30456 1 181 170 GLY . 30456 1 182 171 SER . 30456 1 183 172 VAL . 30456 1 184 173 ASP . 30456 1 185 174 GLY . 30456 1 186 175 GLU . 30456 1 187 176 GLU . 30456 1 188 177 PHE . 30456 1 189 178 GLU . 30456 1 190 179 GLY . 30456 1 191 180 GLY . 30456 1 192 181 LYS . 30456 1 193 182 ALA . 30456 1 194 183 SER . 30456 1 195 184 ASP . 30456 1 196 185 PHE . 30456 1 197 186 VAL . 30456 1 198 187 LEU . 30456 1 199 188 ALA . 30456 1 200 189 MET . 30456 1 201 190 GLY . 30456 1 202 191 GLN . 30456 1 203 192 GLY . 30456 1 204 193 ARG . 30456 1 205 194 MET . 30456 1 206 195 ILE . 30456 1 207 196 PRO . 30456 1 208 197 GLY . 30456 1 209 198 PHE . 30456 1 210 199 GLU . 30456 1 211 200 ASP . 30456 1 212 201 GLY . 30456 1 213 202 ILE . 30456 1 214 203 LYS . 30456 1 215 204 GLY . 30456 1 216 205 HIS . 30456 1 217 206 LYS . 30456 1 218 207 ALA . 30456 1 219 208 GLY . 30456 1 220 209 GLU . 30456 1 221 210 GLU . 30456 1 222 211 PHE . 30456 1 223 212 THR . 30456 1 224 213 ILE . 30456 1 225 214 ASP . 30456 1 226 215 VAL . 30456 1 227 216 THR . 30456 1 228 217 PHE . 30456 1 229 218 PRO . 30456 1 230 219 GLU . 30456 1 231 220 GLU . 30456 1 232 221 TYR . 30456 1 233 222 HIS . 30456 1 234 223 ALA . 30456 1 235 224 GLU . 30456 1 236 225 ASN . 30456 1 237 226 LEU . 30456 1 238 227 LYS . 30456 1 239 228 GLY . 30456 1 240 229 LYS . 30456 1 241 230 ALA . 30456 1 242 231 ALA . 30456 1 243 232 LYS . 30456 1 244 233 PHE . 30456 1 245 234 ALA . 30456 1 246 235 ILE . 30456 1 247 236 ASN . 30456 1 248 237 LEU . 30456 1 249 238 LYS . 30456 1 250 239 LYS . 30456 1 251 240 VAL . 30456 1 252 241 GLU . 30456 1 253 242 GLU . 30456 1 254 243 ARG . 30456 1 255 244 GLU . 30456 1 256 245 LEU . 30456 1 257 246 PRO . 30456 1 258 247 GLU . 30456 1 259 248 LEU . 30456 1 260 249 THR . 30456 1 261 250 ALA . 30456 1 262 251 GLU . 30456 1 263 252 PHE . 30456 1 264 253 ILE . 30456 1 265 254 LYS . 30456 1 266 255 ARG . 30456 1 267 256 PHE . 30456 1 268 257 GLY . 30456 1 269 258 VAL . 30456 1 270 259 GLU . 30456 1 271 260 ASP . 30456 1 272 261 GLY . 30456 1 273 262 SER . 30456 1 274 263 VAL . 30456 1 275 264 GLU . 30456 1 276 265 GLY . 30456 1 277 266 LEU . 30456 1 278 267 ARG . 30456 1 279 268 ALA . 30456 1 280 269 GLU . 30456 1 281 270 VAL . 30456 1 282 271 ARG . 30456 1 283 272 LYS . 30456 1 284 273 ASN . 30456 1 285 274 MET . 30456 1 286 275 GLU . 30456 1 287 276 ARG . 30456 1 288 277 GLU . 30456 1 289 278 LEU . 30456 1 290 279 LYS . 30456 1 291 280 SER . 30456 1 292 281 ALA . 30456 1 293 282 ILE . 30456 1 294 283 ARG . 30456 1 295 284 ASN . 30456 1 296 285 ARG . 30456 1 297 286 VAL . 30456 1 298 287 LYS . 30456 1 299 288 SER . 30456 1 300 289 GLN . 30456 1 301 290 ALA . 30456 1 302 291 ILE . 30456 1 303 292 GLU . 30456 1 304 293 GLY . 30456 1 305 294 LEU . 30456 1 306 295 VAL . 30456 1 307 296 LYS . 30456 1 308 297 ALA . 30456 1 309 298 ASN . 30456 1 310 299 ASP . 30456 1 311 300 ILE . 30456 1 312 301 ASP . 30456 1 313 302 VAL . 30456 1 314 303 PRO . 30456 1 315 304 ALA . 30456 1 316 305 ALA . 30456 1 317 306 LEU . 30456 1 318 307 ILE . 30456 1 319 308 ASP . 30456 1 320 309 SER . 30456 1 321 310 GLU . 30456 1 322 311 ILE . 30456 1 323 312 ASP . 30456 1 324 313 VAL . 30456 1 325 314 LEU . 30456 1 326 315 ARG . 30456 1 327 316 ARG . 30456 1 328 317 GLN . 30456 1 329 318 ALA . 30456 1 330 319 ALA . 30456 1 331 320 GLN . 30456 1 332 321 ARG . 30456 1 333 322 PHE . 30456 1 334 323 GLY . 30456 1 335 324 GLY . 30456 1 336 325 ASN . 30456 1 337 326 GLU . 30456 1 338 327 LYS . 30456 1 339 328 GLN . 30456 1 340 329 ALA . 30456 1 341 330 LEU . 30456 1 342 331 GLU . 30456 1 343 332 LEU . 30456 1 344 333 PRO . 30456 1 345 334 ARG . 30456 1 346 335 GLU . 30456 1 347 336 LEU . 30456 1 348 337 PHE . 30456 1 349 338 GLU . 30456 1 350 339 GLU . 30456 1 351 340 GLN . 30456 1 352 341 ALA . 30456 1 353 342 LYS . 30456 1 354 343 ARG . 30456 1 355 344 ARG . 30456 1 356 345 VAL . 30456 1 357 346 VAL . 30456 1 358 347 VAL . 30456 1 359 348 GLY . 30456 1 360 349 LEU . 30456 1 361 350 LEU . 30456 1 362 351 LEU . 30456 1 363 352 GLY . 30456 1 364 353 GLU . 30456 1 365 354 VAL . 30456 1 366 355 ILE . 30456 1 367 356 ARG . 30456 1 368 357 THR . 30456 1 369 358 ASN . 30456 1 370 359 GLU . 30456 1 371 360 LEU . 30456 1 372 361 LYS . 30456 1 373 362 ALA . 30456 1 374 363 ASP . 30456 1 375 364 GLU . 30456 1 376 365 GLU . 30456 1 377 366 ARG . 30456 1 378 367 VAL . 30456 1 379 368 LYS . 30456 1 380 369 GLY . 30456 1 381 370 LEU . 30456 1 382 371 ILE . 30456 1 383 372 GLU . 30456 1 384 373 GLU . 30456 1 385 374 MET . 30456 1 386 375 ALA . 30456 1 387 376 SER . 30456 1 388 377 ALA . 30456 1 389 378 TYR . 30456 1 390 379 GLU . 30456 1 391 380 ASP . 30456 1 392 381 PRO . 30456 1 393 382 LYS . 30456 1 394 383 GLU . 30456 1 395 384 VAL . 30456 1 396 385 ILE . 30456 1 397 386 GLU . 30456 1 398 387 PHE . 30456 1 399 388 TYR . 30456 1 400 389 SER . 30456 1 401 390 LYS . 30456 1 402 391 ASN . 30456 1 403 392 LYS . 30456 1 404 393 GLU . 30456 1 405 394 LEU . 30456 1 406 395 MET . 30456 1 407 396 ASP . 30456 1 408 397 ASN . 30456 1 409 398 MET . 30456 1 410 399 ARG . 30456 1 411 400 ASN . 30456 1 412 401 VAL . 30456 1 413 402 ALA . 30456 1 414 403 LEU . 30456 1 415 404 GLU . 30456 1 416 405 GLU . 30456 1 417 406 GLN . 30456 1 418 407 ALA . 30456 1 419 408 VAL . 30456 1 420 409 GLU . 30456 1 421 410 ALA . 30456 1 422 411 VAL . 30456 1 423 412 LEU . 30456 1 424 413 ALA . 30456 1 425 414 LYS . 30456 1 426 415 ALA . 30456 1 427 416 LYS . 30456 1 428 417 VAL . 30456 1 429 418 THR . 30456 1 430 419 GLU . 30456 1 431 420 LYS . 30456 1 432 421 GLU . 30456 1 433 422 THR . 30456 1 434 423 THR . 30456 1 435 424 PHE . 30456 1 436 425 ASN . 30456 1 437 426 GLU . 30456 1 438 427 LEU . 30456 1 439 428 MET . 30456 1 440 429 ASN . 30456 1 441 430 GLN . 30456 1 442 431 GLN . 30456 1 443 432 ALA . 30456 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 . MET 1 1 30456 1 . ASN 2 2 30456 1 . HIS 3 3 30456 1 . LYS 4 4 30456 1 . VAL 5 5 30456 1 . HIS 6 6 30456 1 . HIS 7 7 30456 1 . HIS 8 8 30456 1 . HIS 9 9 30456 1 . HIS 10 10 30456 1 . HIS 11 11 30456 1 . MET 12 12 30456 1 . GLN 13 13 30456 1 . VAL 14 14 30456 1 . SER 15 15 30456 1 . VAL 16 16 30456 1 . GLU 17 17 30456 1 . THR 18 18 30456 1 . THR 19 19 30456 1 . GLN 20 20 30456 1 . GLY 21 21 30456 1 . LEU 22 22 30456 1 . GLY 23 23 30456 1 . ARG 24 24 30456 1 . ARG 25 25 30456 1 . VAL 26 26 30456 1 . THR 27 27 30456 1 . ILE 28 28 30456 1 . THR 29 29 30456 1 . ILE 30 30 30456 1 . ALA 31 31 30456 1 . ALA 32 32 30456 1 . ASP 33 33 30456 1 . SER 34 34 30456 1 . ILE 35 35 30456 1 . GLU 36 36 30456 1 . THR 37 37 30456 1 . ALA 38 38 30456 1 . VAL 39 39 30456 1 . LYS 40 40 30456 1 . SER 41 41 30456 1 . GLU 42 42 30456 1 . LEU 43 43 30456 1 . VAL 44 44 30456 1 . ASN 45 45 30456 1 . VAL 46 46 30456 1 . ALA 47 47 30456 1 . LYS 48 48 30456 1 . LYS 49 49 30456 1 . VAL 50 50 30456 1 . ARG 51 51 30456 1 . ILE 52 52 30456 1 . ASP 53 53 30456 1 . GLY 54 54 30456 1 . PHE 55 55 30456 1 . ARG 56 56 30456 1 . LYS 57 57 30456 1 . GLY 58 58 30456 1 . LYS 59 59 30456 1 . VAL 60 60 30456 1 . PRO 61 61 30456 1 . MET 62 62 30456 1 . ASN 63 63 30456 1 . ILE 64 64 30456 1 . VAL 65 65 30456 1 . ALA 66 66 30456 1 . GLN 67 67 30456 1 . ARG 68 68 30456 1 . TYR 69 69 30456 1 . GLY 70 70 30456 1 . ALA 71 71 30456 1 . SER 72 72 30456 1 . VAL 73 73 30456 1 . ARG 74 74 30456 1 . GLN 75 75 30456 1 . ASP 76 76 30456 1 . VAL 77 77 30456 1 . LEU 78 78 30456 1 . GLY 79 79 30456 1 . ASP 80 80 30456 1 . LEU 81 81 30456 1 . MET 82 82 30456 1 . SER 83 83 30456 1 . ARG 84 84 30456 1 . ASN 85 85 30456 1 . PHE 86 86 30456 1 . ILE 87 87 30456 1 . ASP 88 88 30456 1 . ALA 89 89 30456 1 . ILE 90 90 30456 1 . ILE 91 91 30456 1 . LYS 92 92 30456 1 . GLU 93 93 30456 1 . LYS 94 94 30456 1 . ILE 95 95 30456 1 . ASN 96 96 30456 1 . PRO 97 97 30456 1 . ALA 98 98 30456 1 . GLY 99 99 30456 1 . ALA 100 100 30456 1 . PRO 101 101 30456 1 . THR 102 102 30456 1 . TYR 103 103 30456 1 . VAL 104 104 30456 1 . PRO 105 105 30456 1 . GLY 106 106 30456 1 . GLU 107 107 30456 1 . TYR 108 108 30456 1 . LYS 109 109 30456 1 . LEU 110 110 30456 1 . GLY 111 111 30456 1 . GLU 112 112 30456 1 . ASP 113 113 30456 1 . PHE 114 114 30456 1 . THR 115 115 30456 1 . TYR 116 116 30456 1 . SER 117 117 30456 1 . VAL 118 118 30456 1 . GLU 119 119 30456 1 . PHE 120 120 30456 1 . GLU 121 121 30456 1 . VAL 122 122 30456 1 . TYR 123 123 30456 1 . PRO 124 124 30456 1 . GLU 125 125 30456 1 . VAL 126 126 30456 1 . GLU 127 127 30456 1 . LEU 128 128 30456 1 . GLN 129 129 30456 1 . GLY 130 130 30456 1 . LEU 131 131 30456 1 . GLU 132 132 30456 1 . ALA 133 133 30456 1 . ILE 134 134 30456 1 . GLU 135 135 30456 1 . VAL 136 136 30456 1 . GLU 137 137 30456 1 . LYS 138 138 30456 1 . PRO 139 139 30456 1 . ILE 140 140 30456 1 . VAL 141 141 30456 1 . GLU 142 142 30456 1 . VAL 143 143 30456 1 . THR 144 144 30456 1 . ASP 145 145 30456 1 . ALA 146 146 30456 1 . ASP 147 147 30456 1 . VAL 148 148 30456 1 . ASP 149 149 30456 1 . GLY 150 150 30456 1 . MET 151 151 30456 1 . LEU 152 152 30456 1 . ASP 153 153 30456 1 . THR 154 154 30456 1 . LEU 155 155 30456 1 . ARG 156 156 30456 1 . LYS 157 157 30456 1 . GLN 158 158 30456 1 . GLN 159 159 30456 1 . ALA 160 160 30456 1 . THR 161 161 30456 1 . TRP 162 162 30456 1 . LYS 163 163 30456 1 . GLU 164 164 30456 1 . LYS 165 165 30456 1 . ASP 166 166 30456 1 . GLY 167 167 30456 1 . ALA 168 168 30456 1 . VAL 169 169 30456 1 . GLU 170 170 30456 1 . ALA 171 171 30456 1 . GLU 172 172 30456 1 . ASP 173 173 30456 1 . ARG 174 174 30456 1 . VAL 175 175 30456 1 . THR 176 176 30456 1 . ILE 177 177 30456 1 . ASP 178 178 30456 1 . PHE 179 179 30456 1 . THR 180 180 30456 1 . GLY 181 181 30456 1 . SER 182 182 30456 1 . VAL 183 183 30456 1 . ASP 184 184 30456 1 . GLY 185 185 30456 1 . GLU 186 186 30456 1 . GLU 187 187 30456 1 . PHE 188 188 30456 1 . GLU 189 189 30456 1 . GLY 190 190 30456 1 . GLY 191 191 30456 1 . LYS 192 192 30456 1 . ALA 193 193 30456 1 . SER 194 194 30456 1 . ASP 195 195 30456 1 . PHE 196 196 30456 1 . VAL 197 197 30456 1 . LEU 198 198 30456 1 . ALA 199 199 30456 1 . MET 200 200 30456 1 . GLY 201 201 30456 1 . GLN 202 202 30456 1 . GLY 203 203 30456 1 . ARG 204 204 30456 1 . MET 205 205 30456 1 . ILE 206 206 30456 1 . PRO 207 207 30456 1 . GLY 208 208 30456 1 . PHE 209 209 30456 1 . GLU 210 210 30456 1 . ASP 211 211 30456 1 . GLY 212 212 30456 1 . ILE 213 213 30456 1 . LYS 214 214 30456 1 . GLY 215 215 30456 1 . HIS 216 216 30456 1 . LYS 217 217 30456 1 . ALA 218 218 30456 1 . GLY 219 219 30456 1 . GLU 220 220 30456 1 . GLU 221 221 30456 1 . PHE 222 222 30456 1 . THR 223 223 30456 1 . ILE 224 224 30456 1 . ASP 225 225 30456 1 . VAL 226 226 30456 1 . THR 227 227 30456 1 . PHE 228 228 30456 1 . PRO 229 229 30456 1 . GLU 230 230 30456 1 . GLU 231 231 30456 1 . TYR 232 232 30456 1 . HIS 233 233 30456 1 . ALA 234 234 30456 1 . GLU 235 235 30456 1 . ASN 236 236 30456 1 . LEU 237 237 30456 1 . LYS 238 238 30456 1 . GLY 239 239 30456 1 . LYS 240 240 30456 1 . ALA 241 241 30456 1 . ALA 242 242 30456 1 . LYS 243 243 30456 1 . PHE 244 244 30456 1 . ALA 245 245 30456 1 . ILE 246 246 30456 1 . ASN 247 247 30456 1 . LEU 248 248 30456 1 . LYS 249 249 30456 1 . LYS 250 250 30456 1 . VAL 251 251 30456 1 . GLU 252 252 30456 1 . GLU 253 253 30456 1 . ARG 254 254 30456 1 . GLU 255 255 30456 1 . LEU 256 256 30456 1 . PRO 257 257 30456 1 . GLU 258 258 30456 1 . LEU 259 259 30456 1 . THR 260 260 30456 1 . ALA 261 261 30456 1 . GLU 262 262 30456 1 . PHE 263 263 30456 1 . ILE 264 264 30456 1 . LYS 265 265 30456 1 . ARG 266 266 30456 1 . PHE 267 267 30456 1 . GLY 268 268 30456 1 . VAL 269 269 30456 1 . GLU 270 270 30456 1 . ASP 271 271 30456 1 . GLY 272 272 30456 1 . SER 273 273 30456 1 . VAL 274 274 30456 1 . GLU 275 275 30456 1 . GLY 276 276 30456 1 . LEU 277 277 30456 1 . ARG 278 278 30456 1 . ALA 279 279 30456 1 . GLU 280 280 30456 1 . VAL 281 281 30456 1 . ARG 282 282 30456 1 . LYS 283 283 30456 1 . ASN 284 284 30456 1 . MET 285 285 30456 1 . GLU 286 286 30456 1 . ARG 287 287 30456 1 . GLU 288 288 30456 1 . LEU 289 289 30456 1 . LYS 290 290 30456 1 . SER 291 291 30456 1 . ALA 292 292 30456 1 . ILE 293 293 30456 1 . ARG 294 294 30456 1 . ASN 295 295 30456 1 . ARG 296 296 30456 1 . VAL 297 297 30456 1 . LYS 298 298 30456 1 . SER 299 299 30456 1 . GLN 300 300 30456 1 . ALA 301 301 30456 1 . ILE 302 302 30456 1 . GLU 303 303 30456 1 . GLY 304 304 30456 1 . LEU 305 305 30456 1 . VAL 306 306 30456 1 . LYS 307 307 30456 1 . ALA 308 308 30456 1 . ASN 309 309 30456 1 . ASP 310 310 30456 1 . ILE 311 311 30456 1 . ASP 312 312 30456 1 . VAL 313 313 30456 1 . PRO 314 314 30456 1 . ALA 315 315 30456 1 . ALA 316 316 30456 1 . LEU 317 317 30456 1 . ILE 318 318 30456 1 . ASP 319 319 30456 1 . SER 320 320 30456 1 . GLU 321 321 30456 1 . ILE 322 322 30456 1 . ASP 323 323 30456 1 . VAL 324 324 30456 1 . LEU 325 325 30456 1 . ARG 326 326 30456 1 . ARG 327 327 30456 1 . GLN 328 328 30456 1 . ALA 329 329 30456 1 . ALA 330 330 30456 1 . GLN 331 331 30456 1 . ARG 332 332 30456 1 . PHE 333 333 30456 1 . GLY 334 334 30456 1 . GLY 335 335 30456 1 . ASN 336 336 30456 1 . GLU 337 337 30456 1 . LYS 338 338 30456 1 . GLN 339 339 30456 1 . ALA 340 340 30456 1 . LEU 341 341 30456 1 . GLU 342 342 30456 1 . LEU 343 343 30456 1 . PRO 344 344 30456 1 . ARG 345 345 30456 1 . GLU 346 346 30456 1 . LEU 347 347 30456 1 . PHE 348 348 30456 1 . GLU 349 349 30456 1 . GLU 350 350 30456 1 . GLN 351 351 30456 1 . ALA 352 352 30456 1 . LYS 353 353 30456 1 . ARG 354 354 30456 1 . ARG 355 355 30456 1 . VAL 356 356 30456 1 . VAL 357 357 30456 1 . VAL 358 358 30456 1 . GLY 359 359 30456 1 . LEU 360 360 30456 1 . LEU 361 361 30456 1 . LEU 362 362 30456 1 . GLY 363 363 30456 1 . GLU 364 364 30456 1 . VAL 365 365 30456 1 . ILE 366 366 30456 1 . ARG 367 367 30456 1 . THR 368 368 30456 1 . ASN 369 369 30456 1 . GLU 370 370 30456 1 . LEU 371 371 30456 1 . LYS 372 372 30456 1 . ALA 373 373 30456 1 . ASP 374 374 30456 1 . GLU 375 375 30456 1 . GLU 376 376 30456 1 . ARG 377 377 30456 1 . VAL 378 378 30456 1 . LYS 379 379 30456 1 . GLY 380 380 30456 1 . LEU 381 381 30456 1 . ILE 382 382 30456 1 . GLU 383 383 30456 1 . GLU 384 384 30456 1 . MET 385 385 30456 1 . ALA 386 386 30456 1 . SER 387 387 30456 1 . ALA 388 388 30456 1 . TYR 389 389 30456 1 . GLU 390 390 30456 1 . ASP 391 391 30456 1 . PRO 392 392 30456 1 . LYS 393 393 30456 1 . GLU 394 394 30456 1 . VAL 395 395 30456 1 . ILE 396 396 30456 1 . GLU 397 397 30456 1 . PHE 398 398 30456 1 . TYR 399 399 30456 1 . SER 400 400 30456 1 . LYS 401 401 30456 1 . ASN 402 402 30456 1 . LYS 403 403 30456 1 . GLU 404 404 30456 1 . LEU 405 405 30456 1 . MET 406 406 30456 1 . ASP 407 407 30456 1 . ASN 408 408 30456 1 . MET 409 409 30456 1 . ARG 410 410 30456 1 . ASN 411 411 30456 1 . VAL 412 412 30456 1 . ALA 413 413 30456 1 . LEU 414 414 30456 1 . GLU 415 415 30456 1 . GLU 416 416 30456 1 . GLN 417 417 30456 1 . ALA 418 418 30456 1 . VAL 419 419 30456 1 . GLU 420 420 30456 1 . ALA 421 421 30456 1 . VAL 422 422 30456 1 . LEU 423 423 30456 1 . ALA 424 424 30456 1 . LYS 425 425 30456 1 . ALA 426 426 30456 1 . LYS 427 427 30456 1 . VAL 428 428 30456 1 . THR 429 429 30456 1 . GLU 430 430 30456 1 . LYS 431 431 30456 1 . GLU 432 432 30456 1 . THR 433 433 30456 1 . THR 434 434 30456 1 . PHE 435 435 30456 1 . ASN 436 436 30456 1 . GLU 437 437 30456 1 . LEU 438 438 30456 1 . MET 439 439 30456 1 . ASN 440 440 30456 1 . GLN 441 441 30456 1 . GLN 442 442 30456 1 . ALA 443 443 30456 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30456 _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 . 83334 organism . 'Escherichia coli O157:H7' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . 'tig, Z0541, ECs0490' . 30456 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30456 _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' . . 562 Escherichia coli . . . . . . . . . . 30456 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30456 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2.2 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] Trigger Factor, 93% H2O/7% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 TF '[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]' . . 1 $entity_1 . . 2.2 . . mM . . . . 30456 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30456 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3] Trigger Factor, 0.6 mM [Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] TF, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 TF '[Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30456 2 2 'Trigger Factor' '[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30456 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30456 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] RBD, 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3] PPD-SBD, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 RBD '[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 30456 3 2 PPD-SBD '[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3]' . . 1 $entity_1 . . 0.3 . . mM . . . . 30456 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30456 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] RBD, 93% H2O/7% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 RBD '[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 30456 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30456 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-99% 13C; U-99% 15N] PPD, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 PPD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 30456 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 30456 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] SBD, 93% H2O/7% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 SBD '[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30456 6 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 30456 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30456 1 pH 7.0 . pH 30456 1 pressure 1 . atm 30456 1 temperature 295 . K 30456 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30456 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30456 2 pH 7.0 . pH 30456 2 pressure 1 . atm 30456 2 temperature 283 . K 30456 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 30456 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30456 3 pH 7.0 . pH 30456 3 pressure 1 . atm 30456 3 temperature 308 . K 30456 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 30456 _Sample_condition_list.ID 4 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30456 4 pH 7.0 . pD 30456 4 pressure 1 . atm 30456 4 temperature 295 . K 30456 4 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30456 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30456 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30456 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30456 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30456 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30456 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30456 _Software.ID 3 _Software.Type . _Software.Name OLIVIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Masashi Yokochi' . . 30456 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30456 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30456 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30456 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30456 4 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 30456 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30456 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30456 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30456 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 30456 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30456 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 30456 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 30456 1 3 NMR_spectrometer_3 Bruker AvanceIII . 600 . . . 30456 1 4 NMR_spectrometer_4 Varian UNITY . 800 . . . 30456 1 5 NMR_spectrometer_5 Varian UNITY . 600 . . . 30456 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30456 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 2 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 3 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 4 '3D-SOFAST-(1H)-13C HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30456 1 5 '13C-edited SOFAST-NOESY-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30456 1 6 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 4 $sample_conditions_4 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 30456 1 7 '3D-SOFAST-(1H)-13C HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30456 1 8 '13C-edited SOFAST-NOESY-HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30456 1 9 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30456 1 10 '3D (1H)-15N HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30456 1 11 '3D (1H)-13C HMQC-NOESY-1H-15N HMQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30456 1 12 '13C-edited NOESY-HMQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 4 $sample_conditions_4 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 13 '15N-edited NOESY-HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 14 '13C-edited NOESY-HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 15 '15N-edited NOESY-HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30456 1 16 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30456 1 17 '13C-edited NOESY-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30456 1 18 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30456 1 20 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 21 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 22 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30456 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30456 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30456 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30456 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30456 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 30456 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' . . . 30456 1 2 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' . . . 30456 1 3 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' . . . 30456 1 4 '3D-SOFAST-(1H)-13C HMQC-NOESY-1H-13C HMQC' . . . 30456 1 5 '13C-edited SOFAST-NOESY-HMQC' . . . 30456 1 6 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' . . . 30456 1 7 '3D-SOFAST-(1H)-13C HMQC-NOESY-1H-13C HMQC' . . . 30456 1 8 '13C-edited SOFAST-NOESY-HMQC' . . . 30456 1 9 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' . . . 30456 1 10 '3D (1H)-15N HMQC-NOESY-1H-13C HMQC' . . . 30456 1 11 '3D (1H)-13C HMQC-NOESY-1H-15N HMQC' . . . 30456 1 12 '13C-edited NOESY-HMQC' . . . 30456 1 13 '15N-edited NOESY-HSQC' . . . 30456 1 14 '13C-edited NOESY-HSQC' . . . 30456 1 15 '15N-edited NOESY-HSQC' . . . 30456 1 16 '3D (1H)-13C HMQC-NOESY-1H-13C HMQC' . . . 30456 1 17 '13C-edited NOESY-HSQC' . . . 30456 1 18 '2D 1H-13C HMQC' . . . 30456 1 19 '2D 1H-15N HSQC' . . . 30456 1 20 '2D 1H-13C HMQC' . . . 30456 1 21 '2D 1H-13C HMQC' . . . 30456 1 22 '2D 1H-13C HSQC aromatic' . . . 30456 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 12 12 MET HE1 H 1 2.084 . . 1 . . . . A 1 MET HE1 . 30456 1 2 . 1 1 12 12 MET HE2 H 1 2.084 . . 1 . . . . A 1 MET HE2 . 30456 1 3 . 1 1 12 12 MET HE3 H 1 2.084 . . 1 . . . . A 1 MET HE3 . 30456 1 4 . 1 1 12 12 MET CE C 13 17.287 . . 1 . . . . A 1 MET CE . 30456 1 5 . 1 1 14 14 VAL H H 1 8.315 . . 1 . . . . A 3 VAL H . 30456 1 6 . 1 1 14 14 VAL HG11 H 1 0.896 . . 1 . . . . A 3 VAL HG11 . 30456 1 7 . 1 1 14 14 VAL HG12 H 1 0.896 . . 1 . . . . A 3 VAL HG12 . 30456 1 8 . 1 1 14 14 VAL HG13 H 1 0.896 . . 1 . . . . A 3 VAL HG13 . 30456 1 9 . 1 1 14 14 VAL HG21 H 1 0.787 . . 1 . . . . A 3 VAL HG21 . 30456 1 10 . 1 1 14 14 VAL HG22 H 1 0.787 . . 1 . . . . A 3 VAL HG22 . 30456 1 11 . 1 1 14 14 VAL HG23 H 1 0.787 . . 1 . . . . A 3 VAL HG23 . 30456 1 12 . 1 1 14 14 VAL CG1 C 13 21.527 . . 1 . . . . A 3 VAL CG1 . 30456 1 13 . 1 1 14 14 VAL CG2 C 13 21.168 . . 1 . . . . A 3 VAL CG2 . 30456 1 14 . 1 1 14 14 VAL N N 15 123.336 . . 1 . . . . A 3 VAL N . 30456 1 15 . 1 1 16 16 VAL H H 1 8.775 . . 1 . . . . A 5 VAL H . 30456 1 16 . 1 1 16 16 VAL HG11 H 1 0.841 . . 1 . . . . A 5 VAL HG11 . 30456 1 17 . 1 1 16 16 VAL HG12 H 1 0.841 . . 1 . . . . A 5 VAL HG12 . 30456 1 18 . 1 1 16 16 VAL HG13 H 1 0.841 . . 1 . . . . A 5 VAL HG13 . 30456 1 19 . 1 1 16 16 VAL HG21 H 1 0.863 . . 1 . . . . A 5 VAL HG21 . 30456 1 20 . 1 1 16 16 VAL HG22 H 1 0.863 . . 1 . . . . A 5 VAL HG22 . 30456 1 21 . 1 1 16 16 VAL HG23 H 1 0.863 . . 1 . . . . A 5 VAL HG23 . 30456 1 22 . 1 1 16 16 VAL CG1 C 13 20.652 . . 1 . . . . A 5 VAL CG1 . 30456 1 23 . 1 1 16 16 VAL CG2 C 13 20.557 . . 1 . . . . A 5 VAL CG2 . 30456 1 24 . 1 1 16 16 VAL N N 15 126.245 . . 1 . . . . A 5 VAL N . 30456 1 25 . 1 1 17 17 GLU H H 1 8.811 . . 1 . . . . A 6 GLU H . 30456 1 26 . 1 1 17 17 GLU N N 15 126.511 . . 1 . . . . A 6 GLU N . 30456 1 27 . 1 1 18 18 THR H H 1 8.735 . . 1 . . . . A 7 THR H . 30456 1 28 . 1 1 18 18 THR N N 15 119.657 . . 1 . . . . A 7 THR N . 30456 1 29 . 1 1 19 19 THR H H 1 7.671 . . 1 . . . . A 8 THR H . 30456 1 30 . 1 1 19 19 THR N N 15 118.468 . . 1 . . . . A 8 THR N . 30456 1 31 . 1 1 20 20 GLN H H 1 8.181 . . 1 . . . . A 9 GLN H . 30456 1 32 . 1 1 20 20 GLN N N 15 120.565 . . 1 . . . . A 9 GLN N . 30456 1 33 . 1 1 22 22 LEU HD11 H 1 0.753 . . 1 . . . . A 11 LEU HD11 . 30456 1 34 . 1 1 22 22 LEU HD12 H 1 0.753 . . 1 . . . . A 11 LEU HD12 . 30456 1 35 . 1 1 22 22 LEU HD13 H 1 0.753 . . 1 . . . . A 11 LEU HD13 . 30456 1 36 . 1 1 22 22 LEU HD21 H 1 0.922 . . 1 . . . . A 11 LEU HD21 . 30456 1 37 . 1 1 22 22 LEU HD22 H 1 0.922 . . 1 . . . . A 11 LEU HD22 . 30456 1 38 . 1 1 22 22 LEU HD23 H 1 0.922 . . 1 . . . . A 11 LEU HD23 . 30456 1 39 . 1 1 22 22 LEU CD1 C 13 21.350 . . 1 . . . . A 11 LEU CD1 . 30456 1 40 . 1 1 22 22 LEU CD2 C 13 25.698 . . 1 . . . . A 11 LEU CD2 . 30456 1 41 . 1 1 24 24 ARG H H 1 8.842 . . 1 . . . . A 13 ARG H . 30456 1 42 . 1 1 24 24 ARG N N 15 125.145 . . 1 . . . . A 13 ARG N . 30456 1 43 . 1 1 25 25 ARG H H 1 8.620 . . 1 . . . . A 14 ARG H . 30456 1 44 . 1 1 25 25 ARG N N 15 121.189 . . 1 . . . . A 14 ARG N . 30456 1 45 . 1 1 26 26 VAL H H 1 9.243 . . 1 . . . . A 15 VAL H . 30456 1 46 . 1 1 26 26 VAL HG11 H 1 1.080 . . 1 . . . . A 15 VAL HG11 . 30456 1 47 . 1 1 26 26 VAL HG12 H 1 1.080 . . 1 . . . . A 15 VAL HG12 . 30456 1 48 . 1 1 26 26 VAL HG13 H 1 1.080 . . 1 . . . . A 15 VAL HG13 . 30456 1 49 . 1 1 26 26 VAL HG21 H 1 0.998 . . 1 . . . . A 15 VAL HG21 . 30456 1 50 . 1 1 26 26 VAL HG22 H 1 0.998 . . 1 . . . . A 15 VAL HG22 . 30456 1 51 . 1 1 26 26 VAL HG23 H 1 0.998 . . 1 . . . . A 15 VAL HG23 . 30456 1 52 . 1 1 26 26 VAL CG1 C 13 22.379 . . 1 . . . . A 15 VAL CG1 . 30456 1 53 . 1 1 26 26 VAL CG2 C 13 21.287 . . 1 . . . . A 15 VAL CG2 . 30456 1 54 . 1 1 26 26 VAL N N 15 127.353 . . 1 . . . . A 15 VAL N . 30456 1 55 . 1 1 27 27 THR H H 1 8.954 . . 1 . . . . A 16 THR H . 30456 1 56 . 1 1 27 27 THR N N 15 125.525 . . 1 . . . . A 16 THR N . 30456 1 57 . 1 1 28 28 ILE HD11 H 1 0.809 . . 1 . . . . A 17 ILE HD11 . 30456 1 58 . 1 1 28 28 ILE HD12 H 1 0.809 . . 1 . . . . A 17 ILE HD12 . 30456 1 59 . 1 1 28 28 ILE HD13 H 1 0.809 . . 1 . . . . A 17 ILE HD13 . 30456 1 60 . 1 1 28 28 ILE CD1 C 13 13.700 . . 1 . . . . A 17 ILE CD1 . 30456 1 61 . 1 1 29 29 THR H H 1 8.352 . . 1 . . . . A 18 THR H . 30456 1 62 . 1 1 29 29 THR N N 15 122.369 . . 1 . . . . A 18 THR N . 30456 1 63 . 1 1 30 30 ILE HD11 H 1 1.080 . . 1 . . . . A 19 ILE HD11 . 30456 1 64 . 1 1 30 30 ILE HD12 H 1 1.080 . . 1 . . . . A 19 ILE HD12 . 30456 1 65 . 1 1 30 30 ILE HD13 H 1 1.080 . . 1 . . . . A 19 ILE HD13 . 30456 1 66 . 1 1 30 30 ILE CD1 C 13 14.116 . . 1 . . . . A 19 ILE CD1 . 30456 1 67 . 1 1 31 31 ALA HB1 H 1 1.497 . . 1 . . . . A 20 ALA HB1 . 30456 1 68 . 1 1 31 31 ALA HB2 H 1 1.497 . . 1 . . . . A 20 ALA HB2 . 30456 1 69 . 1 1 31 31 ALA HB3 H 1 1.497 . . 1 . . . . A 20 ALA HB3 . 30456 1 70 . 1 1 31 31 ALA CB C 13 19.552 . . 1 . . . . A 20 ALA CB . 30456 1 71 . 1 1 32 32 ALA H H 1 9.387 . . 1 . . . . A 21 ALA H . 30456 1 72 . 1 1 32 32 ALA HB1 H 1 1.363 . . 1 . . . . A 21 ALA HB1 . 30456 1 73 . 1 1 32 32 ALA HB2 H 1 1.363 . . 1 . . . . A 21 ALA HB2 . 30456 1 74 . 1 1 32 32 ALA HB3 H 1 1.363 . . 1 . . . . A 21 ALA HB3 . 30456 1 75 . 1 1 32 32 ALA CB C 13 18.628 . . 1 . . . . A 21 ALA CB . 30456 1 76 . 1 1 32 32 ALA N N 15 126.458 . . 1 . . . . A 21 ALA N . 30456 1 77 . 1 1 33 33 ASP H H 1 8.954 . . 1 . . . . A 22 ASP H . 30456 1 78 . 1 1 33 33 ASP N N 15 116.473 . . 1 . . . . A 22 ASP N . 30456 1 79 . 1 1 34 34 SER H H 1 7.537 . . 1 . . . . A 23 SER H . 30456 1 80 . 1 1 34 34 SER N N 15 117.207 . . 1 . . . . A 23 SER N . 30456 1 81 . 1 1 35 35 ILE HD11 H 1 0.925 . . 1 . . . . A 24 ILE HD11 . 30456 1 82 . 1 1 35 35 ILE HD12 H 1 0.925 . . 1 . . . . A 24 ILE HD12 . 30456 1 83 . 1 1 35 35 ILE HD13 H 1 0.925 . . 1 . . . . A 24 ILE HD13 . 30456 1 84 . 1 1 35 35 ILE CD1 C 13 14.587 . . 1 . . . . A 24 ILE CD1 . 30456 1 85 . 1 1 38 38 ALA HB1 H 1 1.528 . . 1 . . . . A 27 ALA HB1 . 30456 1 86 . 1 1 38 38 ALA HB2 H 1 1.528 . . 1 . . . . A 27 ALA HB2 . 30456 1 87 . 1 1 38 38 ALA HB3 H 1 1.528 . . 1 . . . . A 27 ALA HB3 . 30456 1 88 . 1 1 38 38 ALA CB C 13 18.708 . . 1 . . . . A 27 ALA CB . 30456 1 89 . 1 1 39 39 VAL H H 1 8.585 . . 1 . . . . A 28 VAL H . 30456 1 90 . 1 1 39 39 VAL HG11 H 1 0.860 . . 1 . . . . A 28 VAL HG11 . 30456 1 91 . 1 1 39 39 VAL HG12 H 1 0.860 . . 1 . . . . A 28 VAL HG12 . 30456 1 92 . 1 1 39 39 VAL HG13 H 1 0.860 . . 1 . . . . A 28 VAL HG13 . 30456 1 93 . 1 1 39 39 VAL HG21 H 1 0.843 . . 1 . . . . A 28 VAL HG21 . 30456 1 94 . 1 1 39 39 VAL HG22 H 1 0.843 . . 1 . . . . A 28 VAL HG22 . 30456 1 95 . 1 1 39 39 VAL HG23 H 1 0.843 . . 1 . . . . A 28 VAL HG23 . 30456 1 96 . 1 1 39 39 VAL CG1 C 13 23.257 . . 1 . . . . A 28 VAL CG1 . 30456 1 97 . 1 1 39 39 VAL CG2 C 13 20.831 . . 1 . . . . A 28 VAL CG2 . 30456 1 98 . 1 1 39 39 VAL N N 15 120.992 . . 1 . . . . A 28 VAL N . 30456 1 99 . 1 1 40 40 LYS H H 1 8.114 . . 1 . . . . A 29 LYS H . 30456 1 100 . 1 1 40 40 LYS N N 15 119.750 . . 1 . . . . A 29 LYS N . 30456 1 101 . 1 1 41 41 SER H H 1 7.781 . . 1 . . . . A 30 SER H . 30456 1 102 . 1 1 41 41 SER N N 15 113.136 . . 1 . . . . A 30 SER N . 30456 1 103 . 1 1 42 42 GLU H H 1 7.826 . . 1 . . . . A 31 GLU H . 30456 1 104 . 1 1 42 42 GLU N N 15 122.889 . . 1 . . . . A 31 GLU N . 30456 1 105 . 1 1 43 43 LEU H H 1 8.627 . . 1 . . . . A 32 LEU H . 30456 1 106 . 1 1 43 43 LEU HD11 H 1 0.769 . . 1 . . . . A 32 LEU HD11 . 30456 1 107 . 1 1 43 43 LEU HD12 H 1 0.769 . . 1 . . . . A 32 LEU HD12 . 30456 1 108 . 1 1 43 43 LEU HD13 H 1 0.769 . . 1 . . . . A 32 LEU HD13 . 30456 1 109 . 1 1 43 43 LEU HD21 H 1 0.762 . . 1 . . . . A 32 LEU HD21 . 30456 1 110 . 1 1 43 43 LEU HD22 H 1 0.762 . . 1 . . . . A 32 LEU HD22 . 30456 1 111 . 1 1 43 43 LEU HD23 H 1 0.762 . . 1 . . . . A 32 LEU HD23 . 30456 1 112 . 1 1 43 43 LEU CD1 C 13 26.065 . . 1 . . . . A 32 LEU CD1 . 30456 1 113 . 1 1 43 43 LEU CD2 C 13 23.595 . . 1 . . . . A 32 LEU CD2 . 30456 1 114 . 1 1 43 43 LEU N N 15 121.626 . . 1 . . . . A 32 LEU N . 30456 1 115 . 1 1 44 44 VAL H H 1 7.671 . . 1 . . . . A 33 VAL H . 30456 1 116 . 1 1 44 44 VAL HG11 H 1 1.093 . . 1 . . . . A 33 VAL HG11 . 30456 1 117 . 1 1 44 44 VAL HG12 H 1 1.093 . . 1 . . . . A 33 VAL HG12 . 30456 1 118 . 1 1 44 44 VAL HG13 H 1 1.093 . . 1 . . . . A 33 VAL HG13 . 30456 1 119 . 1 1 44 44 VAL HG21 H 1 0.927 . . 1 . . . . A 33 VAL HG21 . 30456 1 120 . 1 1 44 44 VAL HG22 H 1 0.927 . . 1 . . . . A 33 VAL HG22 . 30456 1 121 . 1 1 44 44 VAL HG23 H 1 0.927 . . 1 . . . . A 33 VAL HG23 . 30456 1 122 . 1 1 44 44 VAL CG1 C 13 22.630 . . 1 . . . . A 33 VAL CG1 . 30456 1 123 . 1 1 44 44 VAL CG2 C 13 21.038 . . 1 . . . . A 33 VAL CG2 . 30456 1 124 . 1 1 44 44 VAL N N 15 119.429 . . 1 . . . . A 33 VAL N . 30456 1 125 . 1 1 46 46 VAL H H 1 8.400 . . 1 . . . . A 35 VAL H . 30456 1 126 . 1 1 46 46 VAL HG11 H 1 -0.003 . . 1 . . . . A 35 VAL HG11 . 30456 1 127 . 1 1 46 46 VAL HG12 H 1 -0.003 . . 1 . . . . A 35 VAL HG12 . 30456 1 128 . 1 1 46 46 VAL HG13 H 1 -0.003 . . 1 . . . . A 35 VAL HG13 . 30456 1 129 . 1 1 46 46 VAL HG21 H 1 0.871 . . 1 . . . . A 35 VAL HG21 . 30456 1 130 . 1 1 46 46 VAL HG22 H 1 0.871 . . 1 . . . . A 35 VAL HG22 . 30456 1 131 . 1 1 46 46 VAL HG23 H 1 0.871 . . 1 . . . . A 35 VAL HG23 . 30456 1 132 . 1 1 46 46 VAL CG1 C 13 21.051 . . 1 . . . . A 35 VAL CG1 . 30456 1 133 . 1 1 46 46 VAL CG2 C 13 22.707 . . 1 . . . . A 35 VAL CG2 . 30456 1 134 . 1 1 46 46 VAL N N 15 122.335 . . 1 . . . . A 35 VAL N . 30456 1 135 . 1 1 47 47 ALA H H 1 8.238 . . 1 . . . . A 36 ALA H . 30456 1 136 . 1 1 47 47 ALA HB1 H 1 1.446 . . 1 . . . . A 36 ALA HB1 . 30456 1 137 . 1 1 47 47 ALA HB2 H 1 1.446 . . 1 . . . . A 36 ALA HB2 . 30456 1 138 . 1 1 47 47 ALA HB3 H 1 1.446 . . 1 . . . . A 36 ALA HB3 . 30456 1 139 . 1 1 47 47 ALA CB C 13 18.659 . . 1 . . . . A 36 ALA CB . 30456 1 140 . 1 1 47 47 ALA N N 15 121.215 . . 1 . . . . A 36 ALA N . 30456 1 141 . 1 1 49 49 LYS H H 1 7.596 . . 1 . . . . A 38 LYS H . 30456 1 142 . 1 1 49 49 LYS N N 15 116.107 . . 1 . . . . A 38 LYS N . 30456 1 143 . 1 1 50 50 VAL H H 1 7.394 . . 1 . . . . A 39 VAL H . 30456 1 144 . 1 1 50 50 VAL HG11 H 1 0.812 . . 1 . . . . A 39 VAL HG11 . 30456 1 145 . 1 1 50 50 VAL HG12 H 1 0.812 . . 1 . . . . A 39 VAL HG12 . 30456 1 146 . 1 1 50 50 VAL HG13 H 1 0.812 . . 1 . . . . A 39 VAL HG13 . 30456 1 147 . 1 1 50 50 VAL HG21 H 1 0.771 . . 1 . . . . A 39 VAL HG21 . 30456 1 148 . 1 1 50 50 VAL HG22 H 1 0.771 . . 1 . . . . A 39 VAL HG22 . 30456 1 149 . 1 1 50 50 VAL HG23 H 1 0.771 . . 1 . . . . A 39 VAL HG23 . 30456 1 150 . 1 1 50 50 VAL CG1 C 13 20.114 . . 1 . . . . A 39 VAL CG1 . 30456 1 151 . 1 1 50 50 VAL CG2 C 13 21.133 . . 1 . . . . A 39 VAL CG2 . 30456 1 152 . 1 1 50 50 VAL N N 15 117.618 . . 1 . . . . A 39 VAL N . 30456 1 153 . 1 1 51 51 ARG H H 1 8.364 . . 1 . . . . A 40 ARG H . 30456 1 154 . 1 1 51 51 ARG N N 15 125.115 . . 1 . . . . A 40 ARG N . 30456 1 155 . 1 1 52 52 ILE H H 1 8.050 . . 1 . . . . A 41 ILE H . 30456 1 156 . 1 1 52 52 ILE HD11 H 1 0.768 . . 1 . . . . A 41 ILE HD11 . 30456 1 157 . 1 1 52 52 ILE HD12 H 1 0.768 . . 1 . . . . A 41 ILE HD12 . 30456 1 158 . 1 1 52 52 ILE HD13 H 1 0.768 . . 1 . . . . A 41 ILE HD13 . 30456 1 159 . 1 1 52 52 ILE CD1 C 13 13.493 . . 1 . . . . A 41 ILE CD1 . 30456 1 160 . 1 1 52 52 ILE N N 15 125.260 . . 1 . . . . A 41 ILE N . 30456 1 161 . 1 1 53 53 ASP H H 1 8.570 . . 1 . . . . A 42 ASP H . 30456 1 162 . 1 1 53 53 ASP N N 15 125.749 . . 1 . . . . A 42 ASP N . 30456 1 163 . 1 1 54 54 GLY H H 1 8.391 . . 1 . . . . A 43 GLY H . 30456 1 164 . 1 1 54 54 GLY N N 15 109.988 . . 1 . . . . A 43 GLY N . 30456 1 165 . 1 1 56 56 ARG H H 1 8.673 . . 1 . . . . A 45 ARG H . 30456 1 166 . 1 1 56 56 ARG N N 15 123.002 . . 1 . . . . A 45 ARG N . 30456 1 167 . 1 1 59 59 LYS H H 1 8.064 . . 1 . . . . A 48 LYS H . 30456 1 168 . 1 1 59 59 LYS N N 15 120.084 . . 1 . . . . A 48 LYS N . 30456 1 169 . 1 1 60 60 VAL H H 1 8.035 . . 1 . . . . A 49 VAL H . 30456 1 170 . 1 1 60 60 VAL HG11 H 1 0.827 . . 1 . . . . A 49 VAL HG11 . 30456 1 171 . 1 1 60 60 VAL HG12 H 1 0.827 . . 1 . . . . A 49 VAL HG12 . 30456 1 172 . 1 1 60 60 VAL HG13 H 1 0.827 . . 1 . . . . A 49 VAL HG13 . 30456 1 173 . 1 1 60 60 VAL HG21 H 1 0.671 . . 1 . . . . A 49 VAL HG21 . 30456 1 174 . 1 1 60 60 VAL HG22 H 1 0.671 . . 1 . . . . A 49 VAL HG22 . 30456 1 175 . 1 1 60 60 VAL HG23 H 1 0.671 . . 1 . . . . A 49 VAL HG23 . 30456 1 176 . 1 1 60 60 VAL CG1 C 13 22.075 . . 1 . . . . A 49 VAL CG1 . 30456 1 177 . 1 1 60 60 VAL CG2 C 13 21.208 . . 1 . . . . A 49 VAL CG2 . 30456 1 178 . 1 1 60 60 VAL N N 15 124.776 . . 1 . . . . A 49 VAL N . 30456 1 179 . 1 1 62 62 MET HE1 H 1 1.963 . . 1 . . . . A 51 MET HE1 . 30456 1 180 . 1 1 62 62 MET HE2 H 1 1.963 . . 1 . . . . A 51 MET HE2 . 30456 1 181 . 1 1 62 62 MET HE3 H 1 1.963 . . 1 . . . . A 51 MET HE3 . 30456 1 182 . 1 1 62 62 MET CE C 13 16.180 . . 1 . . . . A 51 MET CE . 30456 1 183 . 1 1 63 63 ASN H H 1 8.706 . . 1 . . . . A 52 ASN H . 30456 1 184 . 1 1 63 63 ASN N N 15 123.398 . . 1 . . . . A 52 ASN N . 30456 1 185 . 1 1 64 64 ILE H H 1 7.285 . . 1 . . . . A 53 ILE H . 30456 1 186 . 1 1 64 64 ILE HD11 H 1 0.812 . . 1 . . . . A 53 ILE HD11 . 30456 1 187 . 1 1 64 64 ILE HD12 H 1 0.812 . . 1 . . . . A 53 ILE HD12 . 30456 1 188 . 1 1 64 64 ILE HD13 H 1 0.812 . . 1 . . . . A 53 ILE HD13 . 30456 1 189 . 1 1 64 64 ILE CD1 C 13 11.268 . . 1 . . . . A 53 ILE CD1 . 30456 1 190 . 1 1 64 64 ILE N N 15 122.327 . . 1 . . . . A 53 ILE N . 30456 1 191 . 1 1 65 65 VAL H H 1 7.526 . . 1 . . . . A 54 VAL H . 30456 1 192 . 1 1 65 65 VAL HG11 H 1 0.849 . . 1 . . . . A 54 VAL HG11 . 30456 1 193 . 1 1 65 65 VAL HG12 H 1 0.849 . . 1 . . . . A 54 VAL HG12 . 30456 1 194 . 1 1 65 65 VAL HG13 H 1 0.849 . . 1 . . . . A 54 VAL HG13 . 30456 1 195 . 1 1 65 65 VAL HG21 H 1 0.927 . . 1 . . . . A 54 VAL HG21 . 30456 1 196 . 1 1 65 65 VAL HG22 H 1 0.927 . . 1 . . . . A 54 VAL HG22 . 30456 1 197 . 1 1 65 65 VAL HG23 H 1 0.927 . . 1 . . . . A 54 VAL HG23 . 30456 1 198 . 1 1 65 65 VAL CG1 C 13 22.787 . . 1 . . . . A 54 VAL CG1 . 30456 1 199 . 1 1 65 65 VAL CG2 C 13 21.628 . . 1 . . . . A 54 VAL CG2 . 30456 1 200 . 1 1 65 65 VAL N N 15 121.916 . . 1 . . . . A 54 VAL N . 30456 1 201 . 1 1 66 66 ALA H H 1 8.828 . . 1 . . . . A 55 ALA H . 30456 1 202 . 1 1 66 66 ALA HB1 H 1 1.398 . . 1 . . . . A 55 ALA HB1 . 30456 1 203 . 1 1 66 66 ALA HB2 H 1 1.398 . . 1 . . . . A 55 ALA HB2 . 30456 1 204 . 1 1 66 66 ALA HB3 H 1 1.398 . . 1 . . . . A 55 ALA HB3 . 30456 1 205 . 1 1 66 66 ALA CB C 13 17.888 . . 1 . . . . A 55 ALA CB . 30456 1 206 . 1 1 66 66 ALA N N 15 122.185 . . 1 . . . . A 55 ALA N . 30456 1 207 . 1 1 67 67 GLN H H 1 7.667 . . 1 . . . . A 56 GLN H . 30456 1 208 . 1 1 67 67 GLN N N 15 119.171 . . 1 . . . . A 56 GLN N . 30456 1 209 . 1 1 69 69 TYR H H 1 8.496 . . 1 . . . . A 58 TYR H . 30456 1 210 . 1 1 69 69 TYR N N 15 115.094 . . 1 . . . . A 58 TYR N . 30456 1 211 . 1 1 70 70 GLY H H 1 8.236 . . 1 . . . . A 59 GLY H . 30456 1 212 . 1 1 70 70 GLY N N 15 109.820 . . 1 . . . . A 59 GLY N . 30456 1 213 . 1 1 71 71 ALA H H 1 8.486 . . 1 . . . . A 60 ALA H . 30456 1 214 . 1 1 71 71 ALA HB1 H 1 1.477 . . 1 . . . . A 60 ALA HB1 . 30456 1 215 . 1 1 71 71 ALA HB2 H 1 1.477 . . 1 . . . . A 60 ALA HB2 . 30456 1 216 . 1 1 71 71 ALA HB3 H 1 1.477 . . 1 . . . . A 60 ALA HB3 . 30456 1 217 . 1 1 71 71 ALA CB C 13 17.930 . . 1 . . . . A 60 ALA CB . 30456 1 218 . 1 1 71 71 ALA N N 15 123.501 . . 1 . . . . A 60 ALA N . 30456 1 219 . 1 1 72 72 SER H H 1 8.062 . . 1 . . . . A 61 SER H . 30456 1 220 . 1 1 72 72 SER N N 15 116.014 . . 1 . . . . A 61 SER N . 30456 1 221 . 1 1 73 73 VAL H H 1 8.414 . . 1 . . . . A 62 VAL H . 30456 1 222 . 1 1 73 73 VAL HG11 H 1 1.068 . . 1 . . . . A 62 VAL HG11 . 30456 1 223 . 1 1 73 73 VAL HG12 H 1 1.068 . . 1 . . . . A 62 VAL HG12 . 30456 1 224 . 1 1 73 73 VAL HG13 H 1 1.068 . . 1 . . . . A 62 VAL HG13 . 30456 1 225 . 1 1 73 73 VAL HG21 H 1 0.944 . . 1 . . . . A 62 VAL HG21 . 30456 1 226 . 1 1 73 73 VAL HG22 H 1 0.944 . . 1 . . . . A 62 VAL HG22 . 30456 1 227 . 1 1 73 73 VAL HG23 H 1 0.944 . . 1 . . . . A 62 VAL HG23 . 30456 1 228 . 1 1 73 73 VAL CG1 C 13 23.661 . . 1 . . . . A 62 VAL CG1 . 30456 1 229 . 1 1 73 73 VAL CG2 C 13 22.443 . . 1 . . . . A 62 VAL CG2 . 30456 1 230 . 1 1 73 73 VAL N N 15 123.103 . . 1 . . . . A 62 VAL N . 30456 1 231 . 1 1 74 74 ARG H H 1 8.200 . . 1 . . . . A 63 ARG H . 30456 1 232 . 1 1 74 74 ARG N N 15 119.650 . . 1 . . . . A 63 ARG N . 30456 1 233 . 1 1 75 75 GLN H H 1 7.516 . . 1 . . . . A 64 GLN H . 30456 1 234 . 1 1 75 75 GLN N N 15 117.163 . . 1 . . . . A 64 GLN N . 30456 1 235 . 1 1 76 76 ASP H H 1 7.902 . . 1 . . . . A 65 ASP H . 30456 1 236 . 1 1 76 76 ASP N N 15 121.834 . . 1 . . . . A 65 ASP N . 30456 1 237 . 1 1 77 77 VAL HG11 H 1 0.917 . . 1 . . . . A 66 VAL HG11 . 30456 1 238 . 1 1 77 77 VAL HG12 H 1 0.917 . . 1 . . . . A 66 VAL HG12 . 30456 1 239 . 1 1 77 77 VAL HG13 H 1 0.917 . . 1 . . . . A 66 VAL HG13 . 30456 1 240 . 1 1 77 77 VAL HG21 H 1 0.808 . . 1 . . . . A 66 VAL HG21 . 30456 1 241 . 1 1 77 77 VAL HG22 H 1 0.808 . . 1 . . . . A 66 VAL HG22 . 30456 1 242 . 1 1 77 77 VAL HG23 H 1 0.808 . . 1 . . . . A 66 VAL HG23 . 30456 1 243 . 1 1 77 77 VAL CG1 C 13 22.911 . . 1 . . . . A 66 VAL CG1 . 30456 1 244 . 1 1 77 77 VAL CG2 C 13 22.285 . . 1 . . . . A 66 VAL CG2 . 30456 1 245 . 1 1 78 78 LEU H H 1 8.219 . . 1 . . . . A 67 LEU H . 30456 1 246 . 1 1 78 78 LEU HD11 H 1 0.307 . . 1 . . . . A 67 LEU HD11 . 30456 1 247 . 1 1 78 78 LEU HD12 H 1 0.307 . . 1 . . . . A 67 LEU HD12 . 30456 1 248 . 1 1 78 78 LEU HD13 H 1 0.307 . . 1 . . . . A 67 LEU HD13 . 30456 1 249 . 1 1 78 78 LEU HD21 H 1 -0.116 . . 1 . . . . A 67 LEU HD21 . 30456 1 250 . 1 1 78 78 LEU HD22 H 1 -0.116 . . 1 . . . . A 67 LEU HD22 . 30456 1 251 . 1 1 78 78 LEU HD23 H 1 -0.116 . . 1 . . . . A 67 LEU HD23 . 30456 1 252 . 1 1 78 78 LEU CD1 C 13 24.005 . . 1 . . . . A 67 LEU CD1 . 30456 1 253 . 1 1 78 78 LEU CD2 C 13 21.949 . . 1 . . . . A 67 LEU CD2 . 30456 1 254 . 1 1 78 78 LEU N N 15 120.732 . . 1 . . . . A 67 LEU N . 30456 1 255 . 1 1 80 80 ASP H H 1 7.689 . . 1 . . . . A 69 ASP H . 30456 1 256 . 1 1 80 80 ASP N N 15 123.529 . . 1 . . . . A 69 ASP N . 30456 1 257 . 1 1 81 81 LEU H H 1 8.914 . . 1 . . . . A 70 LEU H . 30456 1 258 . 1 1 81 81 LEU HD11 H 1 0.710 . . 1 . . . . A 70 LEU HD11 . 30456 1 259 . 1 1 81 81 LEU HD12 H 1 0.710 . . 1 . . . . A 70 LEU HD12 . 30456 1 260 . 1 1 81 81 LEU HD13 H 1 0.710 . . 1 . . . . A 70 LEU HD13 . 30456 1 261 . 1 1 81 81 LEU HD21 H 1 0.789 . . 1 . . . . A 70 LEU HD21 . 30456 1 262 . 1 1 81 81 LEU HD22 H 1 0.789 . . 1 . . . . A 70 LEU HD22 . 30456 1 263 . 1 1 81 81 LEU HD23 H 1 0.789 . . 1 . . . . A 70 LEU HD23 . 30456 1 264 . 1 1 81 81 LEU CD1 C 13 26.675 . . 1 . . . . A 70 LEU CD1 . 30456 1 265 . 1 1 81 81 LEU CD2 C 13 22.460 . . 1 . . . . A 70 LEU CD2 . 30456 1 266 . 1 1 81 81 LEU N N 15 119.163 . . 1 . . . . A 70 LEU N . 30456 1 267 . 1 1 82 82 MET H H 1 8.657 . . 1 . . . . A 71 MET H . 30456 1 268 . 1 1 82 82 MET HE1 H 1 1.712 . . 1 . . . . A 71 MET HE1 . 30456 1 269 . 1 1 82 82 MET HE2 H 1 1.712 . . 1 . . . . A 71 MET HE2 . 30456 1 270 . 1 1 82 82 MET HE3 H 1 1.712 . . 1 . . . . A 71 MET HE3 . 30456 1 271 . 1 1 82 82 MET CE C 13 16.663 . . 1 . . . . A 71 MET CE . 30456 1 272 . 1 1 82 82 MET N N 15 120.430 . . 1 . . . . A 71 MET N . 30456 1 273 . 1 1 83 83 SER H H 1 7.400 . . 1 . . . . A 72 SER H . 30456 1 274 . 1 1 83 83 SER N N 15 116.217 . . 1 . . . . A 72 SER N . 30456 1 275 . 1 1 84 84 ARG H H 1 8.596 . . 1 . . . . A 73 ARG H . 30456 1 276 . 1 1 84 84 ARG N N 15 121.870 . . 1 . . . . A 73 ARG N . 30456 1 277 . 1 1 86 86 PHE H H 1 7.658 . . 1 . . . . A 75 PHE H . 30456 1 278 . 1 1 86 86 PHE N N 15 121.740 . . 1 . . . . A 75 PHE N . 30456 1 279 . 1 1 87 87 ILE HD11 H 1 0.830 . . 1 . . . . A 76 ILE HD11 . 30456 1 280 . 1 1 87 87 ILE HD12 H 1 0.830 . . 1 . . . . A 76 ILE HD12 . 30456 1 281 . 1 1 87 87 ILE HD13 H 1 0.830 . . 1 . . . . A 76 ILE HD13 . 30456 1 282 . 1 1 87 87 ILE CD1 C 13 10.693 . . 1 . . . . A 76 ILE CD1 . 30456 1 283 . 1 1 89 89 ALA H H 1 7.538 . . 1 . . . . A 78 ALA H . 30456 1 284 . 1 1 89 89 ALA HB1 H 1 1.443 . . 1 . . . . A 78 ALA HB1 . 30456 1 285 . 1 1 89 89 ALA HB2 H 1 1.443 . . 1 . . . . A 78 ALA HB2 . 30456 1 286 . 1 1 89 89 ALA HB3 H 1 1.443 . . 1 . . . . A 78 ALA HB3 . 30456 1 287 . 1 1 89 89 ALA CB C 13 18.595 . . 1 . . . . A 78 ALA CB . 30456 1 288 . 1 1 89 89 ALA N N 15 121.908 . . 1 . . . . A 78 ALA N . 30456 1 289 . 1 1 90 90 ILE H H 1 7.965 . . 1 . . . . A 79 ILE H . 30456 1 290 . 1 1 90 90 ILE HD11 H 1 0.387 . . 1 . . . . A 79 ILE HD11 . 30456 1 291 . 1 1 90 90 ILE HD12 H 1 0.387 . . 1 . . . . A 79 ILE HD12 . 30456 1 292 . 1 1 90 90 ILE HD13 H 1 0.387 . . 1 . . . . A 79 ILE HD13 . 30456 1 293 . 1 1 90 90 ILE CD1 C 13 13.554 . . 1 . . . . A 79 ILE CD1 . 30456 1 294 . 1 1 90 90 ILE N N 15 113.999 . . 1 . . . . A 79 ILE N . 30456 1 295 . 1 1 91 91 ILE H H 1 7.904 . . 1 . . . . A 80 ILE H . 30456 1 296 . 1 1 91 91 ILE HD11 H 1 0.762 . . 1 . . . . A 80 ILE HD11 . 30456 1 297 . 1 1 91 91 ILE HD12 H 1 0.762 . . 1 . . . . A 80 ILE HD12 . 30456 1 298 . 1 1 91 91 ILE HD13 H 1 0.762 . . 1 . . . . A 80 ILE HD13 . 30456 1 299 . 1 1 91 91 ILE CD1 C 13 13.090 . . 1 . . . . A 80 ILE CD1 . 30456 1 300 . 1 1 91 91 ILE N N 15 123.676 . . 1 . . . . A 80 ILE N . 30456 1 301 . 1 1 92 92 LYS H H 1 7.775 . . 1 . . . . A 81 LYS H . 30456 1 302 . 1 1 92 92 LYS N N 15 121.842 . . 1 . . . . A 81 LYS N . 30456 1 303 . 1 1 93 93 GLU H H 1 7.988 . . 1 . . . . A 82 GLU H . 30456 1 304 . 1 1 93 93 GLU N N 15 115.817 . . 1 . . . . A 82 GLU N . 30456 1 305 . 1 1 95 95 ILE H H 1 7.915 . . 1 . . . . A 84 ILE H . 30456 1 306 . 1 1 95 95 ILE HD11 H 1 0.817 . . 1 . . . . A 84 ILE HD11 . 30456 1 307 . 1 1 95 95 ILE HD12 H 1 0.817 . . 1 . . . . A 84 ILE HD12 . 30456 1 308 . 1 1 95 95 ILE HD13 H 1 0.817 . . 1 . . . . A 84 ILE HD13 . 30456 1 309 . 1 1 95 95 ILE CD1 C 13 13.695 . . 1 . . . . A 84 ILE CD1 . 30456 1 310 . 1 1 95 95 ILE N N 15 120.268 . . 1 . . . . A 84 ILE N . 30456 1 311 . 1 1 96 96 ASN H H 1 8.736 . . 1 . . . . A 85 ASN H . 30456 1 312 . 1 1 96 96 ASN N N 15 125.414 . . 1 . . . . A 85 ASN N . 30456 1 313 . 1 1 98 98 ALA HB1 H 1 0.466 . . 1 . . . . A 87 ALA HB1 . 30456 1 314 . 1 1 98 98 ALA HB2 H 1 0.466 . . 1 . . . . A 87 ALA HB2 . 30456 1 315 . 1 1 98 98 ALA HB3 H 1 0.466 . . 1 . . . . A 87 ALA HB3 . 30456 1 316 . 1 1 98 98 ALA CB C 13 19.238 . . 1 . . . . A 87 ALA CB . 30456 1 317 . 1 1 100 100 ALA H H 1 8.413 . . 1 . . . . A 89 ALA H . 30456 1 318 . 1 1 100 100 ALA HB1 H 1 1.381 . . 1 . . . . A 89 ALA HB1 . 30456 1 319 . 1 1 100 100 ALA HB2 H 1 1.381 . . 1 . . . . A 89 ALA HB2 . 30456 1 320 . 1 1 100 100 ALA HB3 H 1 1.381 . . 1 . . . . A 89 ALA HB3 . 30456 1 321 . 1 1 100 100 ALA CB C 13 18.507 . . 1 . . . . A 89 ALA CB . 30456 1 322 . 1 1 100 100 ALA N N 15 124.854 . . 1 . . . . A 89 ALA N . 30456 1 323 . 1 1 102 102 THR H H 1 8.867 . . 1 . . . . A 91 THR H . 30456 1 324 . 1 1 102 102 THR N N 15 118.711 . . 1 . . . . A 91 THR N . 30456 1 325 . 1 1 103 103 TYR H H 1 9.075 . . 1 . . . . A 92 TYR H . 30456 1 326 . 1 1 103 103 TYR N N 15 126.871 . . 1 . . . . A 92 TYR N . 30456 1 327 . 1 1 104 104 VAL HG11 H 1 0.881 . . 1 . . . . A 93 VAL HG11 . 30456 1 328 . 1 1 104 104 VAL HG12 H 1 0.881 . . 1 . . . . A 93 VAL HG12 . 30456 1 329 . 1 1 104 104 VAL HG13 H 1 0.881 . . 1 . . . . A 93 VAL HG13 . 30456 1 330 . 1 1 104 104 VAL HG21 H 1 0.778 . . 1 . . . . A 93 VAL HG21 . 30456 1 331 . 1 1 104 104 VAL HG22 H 1 0.778 . . 1 . . . . A 93 VAL HG22 . 30456 1 332 . 1 1 104 104 VAL HG23 H 1 0.778 . . 1 . . . . A 93 VAL HG23 . 30456 1 333 . 1 1 104 104 VAL CG1 C 13 21.307 . . 1 . . . . A 93 VAL CG1 . 30456 1 334 . 1 1 104 104 VAL CG2 C 13 19.350 . . 1 . . . . A 93 VAL CG2 . 30456 1 335 . 1 1 107 107 GLU H H 1 8.381 . . 1 . . . . A 96 GLU H . 30456 1 336 . 1 1 107 107 GLU N N 15 120.017 . . 1 . . . . A 96 GLU N . 30456 1 337 . 1 1 108 108 TYR H H 1 8.871 . . 1 . . . . A 97 TYR H . 30456 1 338 . 1 1 108 108 TYR N N 15 127.731 . . 1 . . . . A 97 TYR N . 30456 1 339 . 1 1 110 110 LEU H H 1 7.929 . . 1 . . . . A 99 LEU H . 30456 1 340 . 1 1 110 110 LEU HD11 H 1 0.881 . . 1 . . . . A 99 LEU HD11 . 30456 1 341 . 1 1 110 110 LEU HD12 H 1 0.881 . . 1 . . . . A 99 LEU HD12 . 30456 1 342 . 1 1 110 110 LEU HD13 H 1 0.881 . . 1 . . . . A 99 LEU HD13 . 30456 1 343 . 1 1 110 110 LEU HD21 H 1 0.946 . . 1 . . . . A 99 LEU HD21 . 30456 1 344 . 1 1 110 110 LEU HD22 H 1 0.946 . . 1 . . . . A 99 LEU HD22 . 30456 1 345 . 1 1 110 110 LEU HD23 H 1 0.946 . . 1 . . . . A 99 LEU HD23 . 30456 1 346 . 1 1 110 110 LEU CD1 C 13 24.624 . . 1 . . . . A 99 LEU CD1 . 30456 1 347 . 1 1 110 110 LEU CD2 C 13 24.261 . . 1 . . . . A 99 LEU CD2 . 30456 1 348 . 1 1 110 110 LEU N N 15 125.392 . . 1 . . . . A 99 LEU N . 30456 1 349 . 1 1 112 112 GLU H H 1 7.775 . . 1 . . . . A 101 GLU H . 30456 1 350 . 1 1 112 112 GLU N N 15 119.534 . . 1 . . . . A 101 GLU N . 30456 1 351 . 1 1 114 114 PHE H H 1 8.918 . . 1 . . . . A 103 PHE H . 30456 1 352 . 1 1 114 114 PHE N N 15 124.161 . . 1 . . . . A 103 PHE N . 30456 1 353 . 1 1 115 115 THR H H 1 8.362 . . 1 . . . . A 104 THR H . 30456 1 354 . 1 1 115 115 THR N N 15 126.671 . . 1 . . . . A 104 THR N . 30456 1 355 . 1 1 116 116 TYR H H 1 8.836 . . 1 . . . . A 105 TYR H . 30456 1 356 . 1 1 116 116 TYR N N 15 122.474 . . 1 . . . . A 105 TYR N . 30456 1 357 . 1 1 118 118 VAL H H 1 9.098 . . 1 . . . . A 107 VAL H . 30456 1 358 . 1 1 118 118 VAL HG21 H 1 -0.399 . . 1 . . . . A 107 VAL HG21 . 30456 1 359 . 1 1 118 118 VAL HG22 H 1 -0.399 . . 1 . . . . A 107 VAL HG22 . 30456 1 360 . 1 1 118 118 VAL HG23 H 1 -0.399 . . 1 . . . . A 107 VAL HG23 . 30456 1 361 . 1 1 118 118 VAL CG2 C 13 22.102 . . 1 . . . . A 107 VAL CG2 . 30456 1 362 . 1 1 118 118 VAL N N 15 122.582 . . 1 . . . . A 107 VAL N . 30456 1 363 . 1 1 119 119 GLU H H 1 9.011 . . 1 . . . . A 108 GLU H . 30456 1 364 . 1 1 119 119 GLU N N 15 126.143 . . 1 . . . . A 108 GLU N . 30456 1 365 . 1 1 120 120 PHE H H 1 7.882 . . 1 . . . . A 109 PHE H . 30456 1 366 . 1 1 120 120 PHE HE1 H 1 7.108 . . 3 . . . . A 109 PHE HE1 . 30456 1 367 . 1 1 120 120 PHE HE2 H 1 7.108 . . 3 . . . . A 109 PHE HE2 . 30456 1 368 . 1 1 120 120 PHE N N 15 118.395 . . 1 . . . . A 109 PHE N . 30456 1 369 . 1 1 121 121 GLU H H 1 8.534 . . 1 . . . . A 110 GLU H . 30456 1 370 . 1 1 121 121 GLU N N 15 119.327 . . 1 . . . . A 110 GLU N . 30456 1 371 . 1 1 122 122 VAL H H 1 8.102 . . 1 . . . . A 111 VAL H . 30456 1 372 . 1 1 122 122 VAL HG11 H 1 0.957 . . 1 . . . . A 111 VAL HG11 . 30456 1 373 . 1 1 122 122 VAL HG12 H 1 0.957 . . 1 . . . . A 111 VAL HG12 . 30456 1 374 . 1 1 122 122 VAL HG13 H 1 0.957 . . 1 . . . . A 111 VAL HG13 . 30456 1 375 . 1 1 122 122 VAL HG21 H 1 0.906 . . 1 . . . . A 111 VAL HG21 . 30456 1 376 . 1 1 122 122 VAL HG22 H 1 0.906 . . 1 . . . . A 111 VAL HG22 . 30456 1 377 . 1 1 122 122 VAL HG23 H 1 0.906 . . 1 . . . . A 111 VAL HG23 . 30456 1 378 . 1 1 122 122 VAL CG1 C 13 23.138 . . 1 . . . . A 111 VAL CG1 . 30456 1 379 . 1 1 122 122 VAL CG2 C 13 17.546 . . 1 . . . . A 111 VAL CG2 . 30456 1 380 . 1 1 122 122 VAL N N 15 114.160 . . 1 . . . . A 111 VAL N . 30456 1 381 . 1 1 123 123 TYR HD1 H 1 7.133 . . 3 . . . . A 112 TYR HD1 . 30456 1 382 . 1 1 123 123 TYR HD2 H 1 7.133 . . 3 . . . . A 112 TYR HD2 . 30456 1 383 . 1 1 123 123 TYR HE1 H 1 6.718 . . 3 . . . . A 112 TYR HE1 . 30456 1 384 . 1 1 123 123 TYR HE2 H 1 6.718 . . 3 . . . . A 112 TYR HE2 . 30456 1 385 . 1 1 123 123 TYR CE1 C 13 115.128 . . 3 . . . . A 112 TYR CE1 . 30456 1 386 . 1 1 123 123 TYR CE2 C 13 115.128 . . 3 . . . . A 112 TYR CE2 . 30456 1 387 . 1 1 126 126 VAL H H 1 8.305 . . 1 . . . . A 115 VAL H . 30456 1 388 . 1 1 126 126 VAL HG11 H 1 0.770 . . 1 . . . . A 115 VAL HG11 . 30456 1 389 . 1 1 126 126 VAL HG12 H 1 0.770 . . 1 . . . . A 115 VAL HG12 . 30456 1 390 . 1 1 126 126 VAL HG13 H 1 0.770 . . 1 . . . . A 115 VAL HG13 . 30456 1 391 . 1 1 126 126 VAL HG21 H 1 0.838 . . 1 . . . . A 115 VAL HG21 . 30456 1 392 . 1 1 126 126 VAL HG22 H 1 0.838 . . 1 . . . . A 115 VAL HG22 . 30456 1 393 . 1 1 126 126 VAL HG23 H 1 0.838 . . 1 . . . . A 115 VAL HG23 . 30456 1 394 . 1 1 126 126 VAL CG1 C 13 21.146 . . 1 . . . . A 115 VAL CG1 . 30456 1 395 . 1 1 126 126 VAL CG2 C 13 20.825 . . 1 . . . . A 115 VAL CG2 . 30456 1 396 . 1 1 126 126 VAL N N 15 123.571 . . 1 . . . . A 115 VAL N . 30456 1 397 . 1 1 127 127 GLU H H 1 8.310 . . 1 . . . . A 116 GLU H . 30456 1 398 . 1 1 127 127 GLU N N 15 126.506 . . 1 . . . . A 116 GLU N . 30456 1 399 . 1 1 128 128 LEU H H 1 8.563 . . 1 . . . . A 117 LEU H . 30456 1 400 . 1 1 128 128 LEU HD11 H 1 0.837 . . 1 . . . . A 117 LEU HD11 . 30456 1 401 . 1 1 128 128 LEU HD12 H 1 0.837 . . 1 . . . . A 117 LEU HD12 . 30456 1 402 . 1 1 128 128 LEU HD13 H 1 0.837 . . 1 . . . . A 117 LEU HD13 . 30456 1 403 . 1 1 128 128 LEU HD21 H 1 0.773 . . 1 . . . . A 117 LEU HD21 . 30456 1 404 . 1 1 128 128 LEU HD22 H 1 0.773 . . 1 . . . . A 117 LEU HD22 . 30456 1 405 . 1 1 128 128 LEU HD23 H 1 0.773 . . 1 . . . . A 117 LEU HD23 . 30456 1 406 . 1 1 128 128 LEU CD1 C 13 25.781 . . 1 . . . . A 117 LEU CD1 . 30456 1 407 . 1 1 128 128 LEU CD2 C 13 23.670 . . 1 . . . . A 117 LEU CD2 . 30456 1 408 . 1 1 128 128 LEU N N 15 125.637 . . 1 . . . . A 117 LEU N . 30456 1 409 . 1 1 129 129 GLN H H 1 9.466 . . 1 . . . . A 118 GLN H . 30456 1 410 . 1 1 129 129 GLN N N 15 122.909 . . 1 . . . . A 118 GLN N . 30456 1 411 . 1 1 130 130 GLY H H 1 8.481 . . 1 . . . . A 119 GLY H . 30456 1 412 . 1 1 130 130 GLY N N 15 105.223 . . 1 . . . . A 119 GLY N . 30456 1 413 . 1 1 131 131 LEU H H 1 8.098 . . 1 . . . . A 120 LEU H . 30456 1 414 . 1 1 131 131 LEU HD11 H 1 0.838 . . 1 . . . . A 120 LEU HD11 . 30456 1 415 . 1 1 131 131 LEU HD12 H 1 0.838 . . 1 . . . . A 120 LEU HD12 . 30456 1 416 . 1 1 131 131 LEU HD13 H 1 0.838 . . 1 . . . . A 120 LEU HD13 . 30456 1 417 . 1 1 131 131 LEU HD21 H 1 0.768 . . 1 . . . . A 120 LEU HD21 . 30456 1 418 . 1 1 131 131 LEU HD22 H 1 0.768 . . 1 . . . . A 120 LEU HD22 . 30456 1 419 . 1 1 131 131 LEU HD23 H 1 0.768 . . 1 . . . . A 120 LEU HD23 . 30456 1 420 . 1 1 131 131 LEU CD1 C 13 25.255 . . 1 . . . . A 120 LEU CD1 . 30456 1 421 . 1 1 131 131 LEU CD2 C 13 23.877 . . 1 . . . . A 120 LEU CD2 . 30456 1 422 . 1 1 131 131 LEU N N 15 121.713 . . 1 . . . . A 120 LEU N . 30456 1 423 . 1 1 132 132 GLU H H 1 8.612 . . 1 . . . . A 121 GLU H . 30456 1 424 . 1 1 132 132 GLU N N 15 113.269 . . 1 . . . . A 121 GLU N . 30456 1 425 . 1 1 133 133 ALA H H 1 7.281 . . 1 . . . . A 122 ALA H . 30456 1 426 . 1 1 133 133 ALA HB1 H 1 1.369 . . 1 . . . . A 122 ALA HB1 . 30456 1 427 . 1 1 133 133 ALA HB2 H 1 1.369 . . 1 . . . . A 122 ALA HB2 . 30456 1 428 . 1 1 133 133 ALA HB3 H 1 1.369 . . 1 . . . . A 122 ALA HB3 . 30456 1 429 . 1 1 133 133 ALA CB C 13 19.074 . . 1 . . . . A 122 ALA CB . 30456 1 430 . 1 1 133 133 ALA N N 15 120.323 . . 1 . . . . A 122 ALA N . 30456 1 431 . 1 1 134 134 ILE H H 1 7.059 . . 1 . . . . A 123 ILE H . 30456 1 432 . 1 1 134 134 ILE HD11 H 1 0.816 . . 1 . . . . A 123 ILE HD11 . 30456 1 433 . 1 1 134 134 ILE HD12 H 1 0.816 . . 1 . . . . A 123 ILE HD12 . 30456 1 434 . 1 1 134 134 ILE HD13 H 1 0.816 . . 1 . . . . A 123 ILE HD13 . 30456 1 435 . 1 1 134 134 ILE CD1 C 13 13.761 . . 1 . . . . A 123 ILE CD1 . 30456 1 436 . 1 1 134 134 ILE N N 15 122.915 . . 1 . . . . A 123 ILE N . 30456 1 437 . 1 1 135 135 GLU H H 1 8.249 . . 1 . . . . A 124 GLU H . 30456 1 438 . 1 1 135 135 GLU N N 15 127.551 . . 1 . . . . A 124 GLU N . 30456 1 439 . 1 1 136 136 VAL H H 1 8.414 . . 1 . . . . A 125 VAL H . 30456 1 440 . 1 1 136 136 VAL HG11 H 1 0.798 . . 1 . . . . A 125 VAL HG11 . 30456 1 441 . 1 1 136 136 VAL HG12 H 1 0.798 . . 1 . . . . A 125 VAL HG12 . 30456 1 442 . 1 1 136 136 VAL HG13 H 1 0.798 . . 1 . . . . A 125 VAL HG13 . 30456 1 443 . 1 1 136 136 VAL HG21 H 1 0.610 . . 1 . . . . A 125 VAL HG21 . 30456 1 444 . 1 1 136 136 VAL HG22 H 1 0.610 . . 1 . . . . A 125 VAL HG22 . 30456 1 445 . 1 1 136 136 VAL HG23 H 1 0.610 . . 1 . . . . A 125 VAL HG23 . 30456 1 446 . 1 1 136 136 VAL CG1 C 13 20.961 . . 1 . . . . A 125 VAL CG1 . 30456 1 447 . 1 1 136 136 VAL CG2 C 13 20.213 . . 1 . . . . A 125 VAL CG2 . 30456 1 448 . 1 1 136 136 VAL N N 15 123.389 . . 1 . . . . A 125 VAL N . 30456 1 449 . 1 1 137 137 GLU H H 1 9.110 . . 1 . . . . A 126 GLU H . 30456 1 450 . 1 1 137 137 GLU N N 15 128.162 . . 1 . . . . A 126 GLU N . 30456 1 451 . 1 1 138 138 LYS H H 1 9.239 . . 1 . . . . A 127 LYS H . 30456 1 452 . 1 1 138 138 LYS N N 15 131.304 . . 1 . . . . A 127 LYS N . 30456 1 453 . 1 1 140 140 ILE H H 1 8.061 . . 1 . . . . A 129 ILE H . 30456 1 454 . 1 1 140 140 ILE HD11 H 1 0.663 . . 1 . . . . A 129 ILE HD11 . 30456 1 455 . 1 1 140 140 ILE HD12 H 1 0.663 . . 1 . . . . A 129 ILE HD12 . 30456 1 456 . 1 1 140 140 ILE HD13 H 1 0.663 . . 1 . . . . A 129 ILE HD13 . 30456 1 457 . 1 1 140 140 ILE CD1 C 13 10.996 . . 1 . . . . A 129 ILE CD1 . 30456 1 458 . 1 1 140 140 ILE N N 15 125.082 . . 1 . . . . A 129 ILE N . 30456 1 459 . 1 1 141 141 VAL H H 1 8.071 . . 1 . . . . A 130 VAL H . 30456 1 460 . 1 1 141 141 VAL HG11 H 1 0.813 . . 1 . . . . A 130 VAL HG11 . 30456 1 461 . 1 1 141 141 VAL HG12 H 1 0.813 . . 1 . . . . A 130 VAL HG12 . 30456 1 462 . 1 1 141 141 VAL HG13 H 1 0.813 . . 1 . . . . A 130 VAL HG13 . 30456 1 463 . 1 1 141 141 VAL HG21 H 1 0.789 . . 1 . . . . A 130 VAL HG21 . 30456 1 464 . 1 1 141 141 VAL HG22 H 1 0.789 . . 1 . . . . A 130 VAL HG22 . 30456 1 465 . 1 1 141 141 VAL HG23 H 1 0.789 . . 1 . . . . A 130 VAL HG23 . 30456 1 466 . 1 1 141 141 VAL CG1 C 13 20.375 . . 1 . . . . A 130 VAL CG1 . 30456 1 467 . 1 1 141 141 VAL CG2 C 13 21.547 . . 1 . . . . A 130 VAL CG2 . 30456 1 468 . 1 1 141 141 VAL N N 15 126.328 . . 1 . . . . A 130 VAL N . 30456 1 469 . 1 1 142 142 GLU H H 1 8.583 . . 1 . . . . A 131 GLU H . 30456 1 470 . 1 1 142 142 GLU N N 15 126.167 . . 1 . . . . A 131 GLU N . 30456 1 471 . 1 1 143 143 VAL H H 1 8.666 . . 1 . . . . A 132 VAL H . 30456 1 472 . 1 1 143 143 VAL HG11 H 1 0.857 . . 1 . . . . A 132 VAL HG11 . 30456 1 473 . 1 1 143 143 VAL HG12 H 1 0.857 . . 1 . . . . A 132 VAL HG12 . 30456 1 474 . 1 1 143 143 VAL HG13 H 1 0.857 . . 1 . . . . A 132 VAL HG13 . 30456 1 475 . 1 1 143 143 VAL HG21 H 1 0.857 . . 1 . . . . A 132 VAL HG21 . 30456 1 476 . 1 1 143 143 VAL HG22 H 1 0.857 . . 1 . . . . A 132 VAL HG22 . 30456 1 477 . 1 1 143 143 VAL HG23 H 1 0.857 . . 1 . . . . A 132 VAL HG23 . 30456 1 478 . 1 1 143 143 VAL CG1 C 13 22.244 . . 1 . . . . A 132 VAL CG1 . 30456 1 479 . 1 1 143 143 VAL CG2 C 13 23.001 . . 1 . . . . A 132 VAL CG2 . 30456 1 480 . 1 1 143 143 VAL N N 15 122.466 . . 1 . . . . A 132 VAL N . 30456 1 481 . 1 1 144 144 THR H H 1 9.655 . . 1 . . . . A 133 THR H . 30456 1 482 . 1 1 144 144 THR N N 15 123.350 . . 1 . . . . A 133 THR N . 30456 1 483 . 1 1 146 146 ALA H H 1 8.045 . . 1 . . . . A 135 ALA H . 30456 1 484 . 1 1 146 146 ALA HB1 H 1 1.367 . . 1 . . . . A 135 ALA HB1 . 30456 1 485 . 1 1 146 146 ALA HB2 H 1 1.367 . . 1 . . . . A 135 ALA HB2 . 30456 1 486 . 1 1 146 146 ALA HB3 H 1 1.367 . . 1 . . . . A 135 ALA HB3 . 30456 1 487 . 1 1 146 146 ALA CB C 13 17.843 . . 1 . . . . A 135 ALA CB . 30456 1 488 . 1 1 146 146 ALA N N 15 122.118 . . 1 . . . . A 135 ALA N . 30456 1 489 . 1 1 147 147 ASP H H 1 7.841 . . 1 . . . . A 136 ASP H . 30456 1 490 . 1 1 147 147 ASP N N 15 121.820 . . 1 . . . . A 136 ASP N . 30456 1 491 . 1 1 148 148 VAL H H 1 7.597 . . 1 . . . . A 137 VAL H . 30456 1 492 . 1 1 148 148 VAL HG11 H 1 0.740 . . 1 . . . . A 137 VAL HG11 . 30456 1 493 . 1 1 148 148 VAL HG12 H 1 0.740 . . 1 . . . . A 137 VAL HG12 . 30456 1 494 . 1 1 148 148 VAL HG13 H 1 0.740 . . 1 . . . . A 137 VAL HG13 . 30456 1 495 . 1 1 148 148 VAL HG21 H 1 0.777 . . 1 . . . . A 137 VAL HG21 . 30456 1 496 . 1 1 148 148 VAL HG22 H 1 0.777 . . 1 . . . . A 137 VAL HG22 . 30456 1 497 . 1 1 148 148 VAL HG23 H 1 0.777 . . 1 . . . . A 137 VAL HG23 . 30456 1 498 . 1 1 148 148 VAL CG1 C 13 24.113 . . 1 . . . . A 137 VAL CG1 . 30456 1 499 . 1 1 148 148 VAL CG2 C 13 22.669 . . 1 . . . . A 137 VAL CG2 . 30456 1 500 . 1 1 148 148 VAL N N 15 123.223 . . 1 . . . . A 137 VAL N . 30456 1 501 . 1 1 149 149 ASP H H 1 8.656 . . 1 . . . . A 138 ASP H . 30456 1 502 . 1 1 149 149 ASP N N 15 120.972 . . 1 . . . . A 138 ASP N . 30456 1 503 . 1 1 150 150 GLY H H 1 8.124 . . 1 . . . . A 139 GLY H . 30456 1 504 . 1 1 150 150 GLY N N 15 107.682 . . 1 . . . . A 139 GLY N . 30456 1 505 . 1 1 151 151 MET H H 1 7.728 . . 1 . . . . A 140 MET H . 30456 1 506 . 1 1 151 151 MET HE1 H 1 1.140 . . 1 . . . . A 140 MET HE1 . 30456 1 507 . 1 1 151 151 MET HE2 H 1 1.140 . . 1 . . . . A 140 MET HE2 . 30456 1 508 . 1 1 151 151 MET HE3 H 1 1.140 . . 1 . . . . A 140 MET HE3 . 30456 1 509 . 1 1 151 151 MET CE C 13 16.813 . . 1 . . . . A 140 MET CE . 30456 1 510 . 1 1 151 151 MET N N 15 123.941 . . 1 . . . . A 140 MET N . 30456 1 511 . 1 1 152 152 LEU H H 1 8.533 . . 1 . . . . A 141 LEU H . 30456 1 512 . 1 1 152 152 LEU HD11 H 1 0.824 . . 1 . . . . A 141 LEU HD11 . 30456 1 513 . 1 1 152 152 LEU HD12 H 1 0.824 . . 1 . . . . A 141 LEU HD12 . 30456 1 514 . 1 1 152 152 LEU HD13 H 1 0.824 . . 1 . . . . A 141 LEU HD13 . 30456 1 515 . 1 1 152 152 LEU HD21 H 1 0.735 . . 1 . . . . A 141 LEU HD21 . 30456 1 516 . 1 1 152 152 LEU HD22 H 1 0.735 . . 1 . . . . A 141 LEU HD22 . 30456 1 517 . 1 1 152 152 LEU HD23 H 1 0.735 . . 1 . . . . A 141 LEU HD23 . 30456 1 518 . 1 1 152 152 LEU CD1 C 13 25.346 . . 1 . . . . A 141 LEU CD1 . 30456 1 519 . 1 1 152 152 LEU CD2 C 13 24.181 . . 1 . . . . A 141 LEU CD2 . 30456 1 520 . 1 1 152 152 LEU N N 15 121.756 . . 1 . . . . A 141 LEU N . 30456 1 521 . 1 1 154 154 THR H H 1 8.051 . . 1 . . . . A 143 THR H . 30456 1 522 . 1 1 154 154 THR N N 15 117.847 . . 1 . . . . A 143 THR N . 30456 1 523 . 1 1 155 155 LEU H H 1 8.276 . . 1 . . . . A 144 LEU H . 30456 1 524 . 1 1 155 155 LEU HD11 H 1 0.974 . . 1 . . . . A 144 LEU HD11 . 30456 1 525 . 1 1 155 155 LEU HD12 H 1 0.974 . . 1 . . . . A 144 LEU HD12 . 30456 1 526 . 1 1 155 155 LEU HD13 H 1 0.974 . . 1 . . . . A 144 LEU HD13 . 30456 1 527 . 1 1 155 155 LEU HD21 H 1 0.777 . . 1 . . . . A 144 LEU HD21 . 30456 1 528 . 1 1 155 155 LEU HD22 H 1 0.777 . . 1 . . . . A 144 LEU HD22 . 30456 1 529 . 1 1 155 155 LEU HD23 H 1 0.777 . . 1 . . . . A 144 LEU HD23 . 30456 1 530 . 1 1 155 155 LEU CD1 C 13 26.179 . . 1 . . . . A 144 LEU CD1 . 30456 1 531 . 1 1 155 155 LEU CD2 C 13 22.546 . . 1 . . . . A 144 LEU CD2 . 30456 1 532 . 1 1 155 155 LEU N N 15 122.639 . . 1 . . . . A 144 LEU N . 30456 1 533 . 1 1 156 156 ARG H H 1 8.209 . . 1 . . . . A 145 ARG H . 30456 1 534 . 1 1 156 156 ARG N N 15 119.470 . . 1 . . . . A 145 ARG N . 30456 1 535 . 1 1 157 157 LYS H H 1 7.892 . . 1 . . . . A 146 LYS H . 30456 1 536 . 1 1 157 157 LYS N N 15 119.014 . . 1 . . . . A 146 LYS N . 30456 1 537 . 1 1 159 159 GLN H H 1 8.218 . . 1 . . . . A 148 GLN H . 30456 1 538 . 1 1 159 159 GLN N N 15 121.046 . . 1 . . . . A 148 GLN N . 30456 1 539 . 1 1 160 160 ALA HB1 H 1 1.171 . . 1 . . . . A 149 ALA HB1 . 30456 1 540 . 1 1 160 160 ALA HB2 H 1 1.171 . . 1 . . . . A 149 ALA HB2 . 30456 1 541 . 1 1 160 160 ALA HB3 H 1 1.171 . . 1 . . . . A 149 ALA HB3 . 30456 1 542 . 1 1 160 160 ALA CB C 13 20.310 . . 1 . . . . A 149 ALA CB . 30456 1 543 . 1 1 162 162 TRP H H 1 8.323 . . 1 . . . . A 151 TRP H . 30456 1 544 . 1 1 162 162 TRP N N 15 123.766 . . 1 . . . . A 151 TRP N . 30456 1 545 . 1 1 164 164 GLU H H 1 8.852 . . 1 . . . . A 153 GLU H . 30456 1 546 . 1 1 164 164 GLU N N 15 124.994 . . 1 . . . . A 153 GLU N . 30456 1 547 . 1 1 165 165 LYS H H 1 8.768 . . 1 . . . . A 154 LYS H . 30456 1 548 . 1 1 165 165 LYS N N 15 123.934 . . 1 . . . . A 154 LYS N . 30456 1 549 . 1 1 166 166 ASP H H 1 8.627 . . 1 . . . . A 155 ASP H . 30456 1 550 . 1 1 166 166 ASP N N 15 123.644 . . 1 . . . . A 155 ASP N . 30456 1 551 . 1 1 167 167 GLY H H 1 7.213 . . 1 . . . . A 156 GLY H . 30456 1 552 . 1 1 167 167 GLY N N 15 106.897 . . 1 . . . . A 156 GLY N . 30456 1 553 . 1 1 168 168 ALA H H 1 8.116 . . 1 . . . . A 157 ALA H . 30456 1 554 . 1 1 168 168 ALA HB1 H 1 1.096 . . 1 . . . . A 157 ALA HB1 . 30456 1 555 . 1 1 168 168 ALA HB2 H 1 1.096 . . 1 . . . . A 157 ALA HB2 . 30456 1 556 . 1 1 168 168 ALA HB3 H 1 1.096 . . 1 . . . . A 157 ALA HB3 . 30456 1 557 . 1 1 168 168 ALA CB C 13 20.035 . . 1 . . . . A 157 ALA CB . 30456 1 558 . 1 1 168 168 ALA N N 15 120.035 . . 1 . . . . A 157 ALA N . 30456 1 559 . 1 1 169 169 VAL H H 1 8.714 . . 1 . . . . A 158 VAL H . 30456 1 560 . 1 1 169 169 VAL HG11 H 1 1.000 . . 1 . . . . A 158 VAL HG11 . 30456 1 561 . 1 1 169 169 VAL HG12 H 1 1.000 . . 1 . . . . A 158 VAL HG12 . 30456 1 562 . 1 1 169 169 VAL HG13 H 1 1.000 . . 1 . . . . A 158 VAL HG13 . 30456 1 563 . 1 1 169 169 VAL HG21 H 1 1.182 . . 1 . . . . A 158 VAL HG21 . 30456 1 564 . 1 1 169 169 VAL HG22 H 1 1.182 . . 1 . . . . A 158 VAL HG22 . 30456 1 565 . 1 1 169 169 VAL HG23 H 1 1.182 . . 1 . . . . A 158 VAL HG23 . 30456 1 566 . 1 1 169 169 VAL CG1 C 13 23.707 . . 1 . . . . A 158 VAL CG1 . 30456 1 567 . 1 1 169 169 VAL CG2 C 13 25.600 . . 1 . . . . A 158 VAL CG2 . 30456 1 568 . 1 1 169 169 VAL N N 15 119.820 . . 1 . . . . A 158 VAL N . 30456 1 569 . 1 1 170 170 GLU H H 1 9.558 . . 1 . . . . A 159 GLU H . 30456 1 570 . 1 1 170 170 GLU N N 15 132.628 . . 1 . . . . A 159 GLU N . 30456 1 571 . 1 1 171 171 ALA HB1 H 1 1.473 . . 1 . . . . A 160 ALA HB1 . 30456 1 572 . 1 1 171 171 ALA HB2 H 1 1.473 . . 1 . . . . A 160 ALA HB2 . 30456 1 573 . 1 1 171 171 ALA HB3 H 1 1.473 . . 1 . . . . A 160 ALA HB3 . 30456 1 574 . 1 1 171 171 ALA CB C 13 19.920 . . 1 . . . . A 160 ALA CB . 30456 1 575 . 1 1 172 172 GLU H H 1 8.108 . . 1 . . . . A 161 GLU H . 30456 1 576 . 1 1 172 172 GLU N N 15 112.245 . . 1 . . . . A 161 GLU N . 30456 1 577 . 1 1 173 173 ASP H H 1 7.223 . . 1 . . . . A 162 ASP H . 30456 1 578 . 1 1 173 173 ASP N N 15 123.298 . . 1 . . . . A 162 ASP N . 30456 1 579 . 1 1 174 174 ARG H H 1 8.898 . . 1 . . . . A 163 ARG H . 30456 1 580 . 1 1 174 174 ARG N N 15 118.986 . . 1 . . . . A 163 ARG N . 30456 1 581 . 1 1 175 175 VAL H H 1 8.959 . . 1 . . . . A 164 VAL H . 30456 1 582 . 1 1 175 175 VAL HG11 H 1 1.106 . . 1 . . . . A 164 VAL HG11 . 30456 1 583 . 1 1 175 175 VAL HG12 H 1 1.106 . . 1 . . . . A 164 VAL HG12 . 30456 1 584 . 1 1 175 175 VAL HG13 H 1 1.106 . . 1 . . . . A 164 VAL HG13 . 30456 1 585 . 1 1 175 175 VAL HG21 H 1 1.110 . . 1 . . . . A 164 VAL HG21 . 30456 1 586 . 1 1 175 175 VAL HG22 H 1 1.110 . . 1 . . . . A 164 VAL HG22 . 30456 1 587 . 1 1 175 175 VAL HG23 H 1 1.110 . . 1 . . . . A 164 VAL HG23 . 30456 1 588 . 1 1 175 175 VAL CG1 C 13 19.222 . . 1 . . . . A 164 VAL CG1 . 30456 1 589 . 1 1 175 175 VAL CG2 C 13 23.973 . . 1 . . . . A 164 VAL CG2 . 30456 1 590 . 1 1 175 175 VAL N N 15 120.196 . . 1 . . . . A 164 VAL N . 30456 1 591 . 1 1 176 176 THR H H 1 8.466 . . 1 . . . . A 165 THR H . 30456 1 592 . 1 1 176 176 THR N N 15 119.791 . . 1 . . . . A 165 THR N . 30456 1 593 . 1 1 177 177 ILE H H 1 9.532 . . 1 . . . . A 166 ILE H . 30456 1 594 . 1 1 177 177 ILE HD11 H 1 1.011 . . 1 . . . . A 166 ILE HD11 . 30456 1 595 . 1 1 177 177 ILE HD12 H 1 1.011 . . 1 . . . . A 166 ILE HD12 . 30456 1 596 . 1 1 177 177 ILE HD13 H 1 1.011 . . 1 . . . . A 166 ILE HD13 . 30456 1 597 . 1 1 177 177 ILE CD1 C 13 14.258 . . 1 . . . . A 166 ILE CD1 . 30456 1 598 . 1 1 177 177 ILE N N 15 120.268 . . 1 . . . . A 166 ILE N . 30456 1 599 . 1 1 178 178 ASP H H 1 8.474 . . 1 . . . . A 167 ASP H . 30456 1 600 . 1 1 178 178 ASP N N 15 119.470 . . 1 . . . . A 167 ASP N . 30456 1 601 . 1 1 179 179 PHE H H 1 8.526 . . 1 . . . . A 168 PHE H . 30456 1 602 . 1 1 179 179 PHE HD1 H 1 6.949 . . 3 . . . . A 168 PHE HD1 . 30456 1 603 . 1 1 179 179 PHE HD2 H 1 6.949 . . 3 . . . . A 168 PHE HD2 . 30456 1 604 . 1 1 179 179 PHE CD1 C 13 132.371 . . 3 . . . . A 168 PHE CD1 . 30456 1 605 . 1 1 179 179 PHE CD2 C 13 132.371 . . 3 . . . . A 168 PHE CD2 . 30456 1 606 . 1 1 179 179 PHE N N 15 115.260 . . 1 . . . . A 168 PHE N . 30456 1 607 . 1 1 180 180 THR H H 1 8.422 . . 1 . . . . A 169 THR H . 30456 1 608 . 1 1 180 180 THR N N 15 115.278 . . 1 . . . . A 169 THR N . 30456 1 609 . 1 1 182 182 SER H H 1 8.935 . . 1 . . . . A 171 SER H . 30456 1 610 . 1 1 182 182 SER N N 15 116.255 . . 1 . . . . A 171 SER N . 30456 1 611 . 1 1 183 183 VAL H H 1 8.822 . . 1 . . . . A 172 VAL H . 30456 1 612 . 1 1 183 183 VAL HG11 H 1 0.786 . . 1 . . . . A 172 VAL HG11 . 30456 1 613 . 1 1 183 183 VAL HG12 H 1 0.786 . . 1 . . . . A 172 VAL HG12 . 30456 1 614 . 1 1 183 183 VAL HG13 H 1 0.786 . . 1 . . . . A 172 VAL HG13 . 30456 1 615 . 1 1 183 183 VAL HG21 H 1 0.880 . . 1 . . . . A 172 VAL HG21 . 30456 1 616 . 1 1 183 183 VAL HG22 H 1 0.880 . . 1 . . . . A 172 VAL HG22 . 30456 1 617 . 1 1 183 183 VAL HG23 H 1 0.880 . . 1 . . . . A 172 VAL HG23 . 30456 1 618 . 1 1 183 183 VAL CG1 C 13 21.187 . . 1 . . . . A 172 VAL CG1 . 30456 1 619 . 1 1 183 183 VAL CG2 C 13 21.023 . . 1 . . . . A 172 VAL CG2 . 30456 1 620 . 1 1 183 183 VAL N N 15 121.094 . . 1 . . . . A 172 VAL N . 30456 1 621 . 1 1 184 184 ASP H H 1 9.539 . . 1 . . . . A 173 ASP H . 30456 1 622 . 1 1 184 184 ASP N N 15 129.559 . . 1 . . . . A 173 ASP N . 30456 1 623 . 1 1 185 185 GLY H H 1 8.580 . . 1 . . . . A 174 GLY H . 30456 1 624 . 1 1 185 185 GLY N N 15 102.995 . . 1 . . . . A 174 GLY N . 30456 1 625 . 1 1 186 186 GLU H H 1 7.833 . . 1 . . . . A 175 GLU H . 30456 1 626 . 1 1 186 186 GLU N N 15 121.064 . . 1 . . . . A 175 GLU N . 30456 1 627 . 1 1 187 187 GLU H H 1 8.735 . . 1 . . . . A 176 GLU H . 30456 1 628 . 1 1 187 187 GLU N N 15 125.573 . . 1 . . . . A 176 GLU N . 30456 1 629 . 1 1 188 188 PHE H H 1 7.078 . . 1 . . . . A 177 PHE H . 30456 1 630 . 1 1 188 188 PHE HD1 H 1 7.099 . . 3 . . . . A 177 PHE HD1 . 30456 1 631 . 1 1 188 188 PHE HD2 H 1 7.099 . . 3 . . . . A 177 PHE HD2 . 30456 1 632 . 1 1 188 188 PHE HE1 H 1 6.977 . . 3 . . . . A 177 PHE HE1 . 30456 1 633 . 1 1 188 188 PHE HE2 H 1 6.977 . . 3 . . . . A 177 PHE HE2 . 30456 1 634 . 1 1 188 188 PHE HZ H 1 7.150 . . 1 . . . . A 177 PHE HZ . 30456 1 635 . 1 1 188 188 PHE CD1 C 13 133.538 . . 3 . . . . A 177 PHE CD1 . 30456 1 636 . 1 1 188 188 PHE CD2 C 13 133.538 . . 3 . . . . A 177 PHE CD2 . 30456 1 637 . 1 1 188 188 PHE CE1 C 13 130.459 . . 3 . . . . A 177 PHE CE1 . 30456 1 638 . 1 1 188 188 PHE CE2 C 13 130.459 . . 3 . . . . A 177 PHE CE2 . 30456 1 639 . 1 1 188 188 PHE CZ C 13 128.852 . . 1 . . . . A 177 PHE CZ . 30456 1 640 . 1 1 188 188 PHE N N 15 117.417 . . 1 . . . . A 177 PHE N . 30456 1 641 . 1 1 189 189 GLU H H 1 8.971 . . 1 . . . . A 178 GLU H . 30456 1 642 . 1 1 189 189 GLU N N 15 125.174 . . 1 . . . . A 178 GLU N . 30456 1 643 . 1 1 190 190 GLY H H 1 8.916 . . 1 . . . . A 179 GLY H . 30456 1 644 . 1 1 190 190 GLY N N 15 114.447 . . 1 . . . . A 179 GLY N . 30456 1 645 . 1 1 192 192 LYS H H 1 7.462 . . 1 . . . . A 181 LYS H . 30456 1 646 . 1 1 192 192 LYS N N 15 119.660 . . 1 . . . . A 181 LYS N . 30456 1 647 . 1 1 193 193 ALA H H 1 8.016 . . 1 . . . . A 182 ALA H . 30456 1 648 . 1 1 193 193 ALA HB1 H 1 0.598 . . 1 . . . . A 182 ALA HB1 . 30456 1 649 . 1 1 193 193 ALA HB2 H 1 0.598 . . 1 . . . . A 182 ALA HB2 . 30456 1 650 . 1 1 193 193 ALA HB3 H 1 0.598 . . 1 . . . . A 182 ALA HB3 . 30456 1 651 . 1 1 193 193 ALA CB C 13 22.803 . . 1 . . . . A 182 ALA CB . 30456 1 652 . 1 1 193 193 ALA N N 15 126.000 . . 1 . . . . A 182 ALA N . 30456 1 653 . 1 1 194 194 SER H H 1 8.346 . . 1 . . . . A 183 SER H . 30456 1 654 . 1 1 194 194 SER N N 15 116.105 . . 1 . . . . A 183 SER N . 30456 1 655 . 1 1 195 195 ASP H H 1 9.558 . . 1 . . . . A 184 ASP H . 30456 1 656 . 1 1 195 195 ASP N N 15 123.965 . . 1 . . . . A 184 ASP N . 30456 1 657 . 1 1 196 196 PHE H H 1 9.092 . . 1 . . . . A 185 PHE H . 30456 1 658 . 1 1 196 196 PHE HD1 H 1 7.138 . . 3 . . . . A 185 PHE HD1 . 30456 1 659 . 1 1 196 196 PHE HD2 H 1 7.138 . . 3 . . . . A 185 PHE HD2 . 30456 1 660 . 1 1 196 196 PHE HE1 H 1 7.301 . . 3 . . . . A 185 PHE HE1 . 30456 1 661 . 1 1 196 196 PHE HE2 H 1 7.301 . . 3 . . . . A 185 PHE HE2 . 30456 1 662 . 1 1 196 196 PHE HZ H 1 7.268 . . 1 . . . . A 185 PHE HZ . 30456 1 663 . 1 1 196 196 PHE CD1 C 13 131.861 . . 3 . . . . A 185 PHE CD1 . 30456 1 664 . 1 1 196 196 PHE CD2 C 13 131.861 . . 3 . . . . A 185 PHE CD2 . 30456 1 665 . 1 1 196 196 PHE CE1 C 13 131.667 . . 3 . . . . A 185 PHE CE1 . 30456 1 666 . 1 1 196 196 PHE CE2 C 13 131.667 . . 3 . . . . A 185 PHE CE2 . 30456 1 667 . 1 1 196 196 PHE CZ C 13 129.779 . . 1 . . . . A 185 PHE CZ . 30456 1 668 . 1 1 196 196 PHE N N 15 122.027 . . 1 . . . . A 185 PHE N . 30456 1 669 . 1 1 197 197 VAL H H 1 7.827 . . 1 . . . . A 186 VAL H . 30456 1 670 . 1 1 197 197 VAL HG11 H 1 0.387 . . 1 . . . . A 186 VAL HG11 . 30456 1 671 . 1 1 197 197 VAL HG12 H 1 0.387 . . 1 . . . . A 186 VAL HG12 . 30456 1 672 . 1 1 197 197 VAL HG13 H 1 0.387 . . 1 . . . . A 186 VAL HG13 . 30456 1 673 . 1 1 197 197 VAL HG21 H 1 0.785 . . 1 . . . . A 186 VAL HG21 . 30456 1 674 . 1 1 197 197 VAL HG22 H 1 0.785 . . 1 . . . . A 186 VAL HG22 . 30456 1 675 . 1 1 197 197 VAL HG23 H 1 0.785 . . 1 . . . . A 186 VAL HG23 . 30456 1 676 . 1 1 197 197 VAL CG1 C 13 20.405 . . 1 . . . . A 186 VAL CG1 . 30456 1 677 . 1 1 197 197 VAL CG2 C 13 20.740 . . 1 . . . . A 186 VAL CG2 . 30456 1 678 . 1 1 197 197 VAL N N 15 129.919 . . 1 . . . . A 186 VAL N . 30456 1 679 . 1 1 198 198 LEU H H 1 9.262 . . 1 . . . . A 187 LEU H . 30456 1 680 . 1 1 198 198 LEU HD11 H 1 0.917 . . 1 . . . . A 187 LEU HD11 . 30456 1 681 . 1 1 198 198 LEU HD12 H 1 0.917 . . 1 . . . . A 187 LEU HD12 . 30456 1 682 . 1 1 198 198 LEU HD13 H 1 0.917 . . 1 . . . . A 187 LEU HD13 . 30456 1 683 . 1 1 198 198 LEU HD21 H 1 0.958 . . 1 . . . . A 187 LEU HD21 . 30456 1 684 . 1 1 198 198 LEU HD22 H 1 0.958 . . 1 . . . . A 187 LEU HD22 . 30456 1 685 . 1 1 198 198 LEU HD23 H 1 0.958 . . 1 . . . . A 187 LEU HD23 . 30456 1 686 . 1 1 198 198 LEU CD1 C 13 25.742 . . 1 . . . . A 187 LEU CD1 . 30456 1 687 . 1 1 198 198 LEU CD2 C 13 22.907 . . 1 . . . . A 187 LEU CD2 . 30456 1 688 . 1 1 198 198 LEU N N 15 131.625 . . 1 . . . . A 187 LEU N . 30456 1 689 . 1 1 199 199 ALA H H 1 8.542 . . 1 . . . . A 188 ALA H . 30456 1 690 . 1 1 199 199 ALA HB1 H 1 1.238 . . 1 . . . . A 188 ALA HB1 . 30456 1 691 . 1 1 199 199 ALA HB2 H 1 1.238 . . 1 . . . . A 188 ALA HB2 . 30456 1 692 . 1 1 199 199 ALA HB3 H 1 1.238 . . 1 . . . . A 188 ALA HB3 . 30456 1 693 . 1 1 199 199 ALA CB C 13 16.724 . . 1 . . . . A 188 ALA CB . 30456 1 694 . 1 1 199 199 ALA N N 15 132.933 . . 1 . . . . A 188 ALA N . 30456 1 695 . 1 1 200 200 MET H H 1 8.547 . . 1 . . . . A 189 MET H . 30456 1 696 . 1 1 200 200 MET HE1 H 1 1.983 . . 1 . . . . A 189 MET HE1 . 30456 1 697 . 1 1 200 200 MET HE2 H 1 1.983 . . 1 . . . . A 189 MET HE2 . 30456 1 698 . 1 1 200 200 MET HE3 H 1 1.983 . . 1 . . . . A 189 MET HE3 . 30456 1 699 . 1 1 200 200 MET CE C 13 16.817 . . 1 . . . . A 189 MET CE . 30456 1 700 . 1 1 200 200 MET N N 15 125.436 . . 1 . . . . A 189 MET N . 30456 1 701 . 1 1 201 201 GLY H H 1 10.150 . . 1 . . . . A 190 GLY H . 30456 1 702 . 1 1 201 201 GLY N N 15 110.234 . . 1 . . . . A 190 GLY N . 30456 1 703 . 1 1 202 202 GLN H H 1 9.016 . . 1 . . . . A 191 GLN H . 30456 1 704 . 1 1 202 202 GLN N N 15 119.273 . . 1 . . . . A 191 GLN N . 30456 1 705 . 1 1 203 203 GLY H H 1 9.063 . . 1 . . . . A 192 GLY H . 30456 1 706 . 1 1 203 203 GLY N N 15 111.506 . . 1 . . . . A 192 GLY N . 30456 1 707 . 1 1 204 204 ARG H H 1 8.272 . . 1 . . . . A 193 ARG H . 30456 1 708 . 1 1 204 204 ARG N N 15 118.059 . . 1 . . . . A 193 ARG N . 30456 1 709 . 1 1 205 205 MET H H 1 8.148 . . 1 . . . . A 194 MET H . 30456 1 710 . 1 1 205 205 MET HE1 H 1 0.636 . . 1 . . . . A 194 MET HE1 . 30456 1 711 . 1 1 205 205 MET HE2 H 1 0.636 . . 1 . . . . A 194 MET HE2 . 30456 1 712 . 1 1 205 205 MET HE3 H 1 0.636 . . 1 . . . . A 194 MET HE3 . 30456 1 713 . 1 1 205 205 MET CE C 13 15.938 . . 1 . . . . A 194 MET CE . 30456 1 714 . 1 1 205 205 MET N N 15 115.337 . . 1 . . . . A 194 MET N . 30456 1 715 . 1 1 206 206 ILE H H 1 7.589 . . 1 . . . . A 195 ILE H . 30456 1 716 . 1 1 206 206 ILE HD11 H 1 0.244 . . 1 . . . . A 195 ILE HD11 . 30456 1 717 . 1 1 206 206 ILE HD12 H 1 0.244 . . 1 . . . . A 195 ILE HD12 . 30456 1 718 . 1 1 206 206 ILE HD13 H 1 0.244 . . 1 . . . . A 195 ILE HD13 . 30456 1 719 . 1 1 206 206 ILE CD1 C 13 13.527 . . 1 . . . . A 195 ILE CD1 . 30456 1 720 . 1 1 206 206 ILE N N 15 116.243 . . 1 . . . . A 195 ILE N . 30456 1 721 . 1 1 209 209 PHE H H 1 7.683 . . 1 . . . . A 198 PHE H . 30456 1 722 . 1 1 209 209 PHE HD1 H 1 6.202 . . 3 . . . . A 198 PHE HD1 . 30456 1 723 . 1 1 209 209 PHE HD2 H 1 6.202 . . 3 . . . . A 198 PHE HD2 . 30456 1 724 . 1 1 209 209 PHE HE1 H 1 5.786 . . 3 . . . . A 198 PHE HE1 . 30456 1 725 . 1 1 209 209 PHE HE2 H 1 5.786 . . 3 . . . . A 198 PHE HE2 . 30456 1 726 . 1 1 209 209 PHE CD1 C 13 130.781 . . 3 . . . . A 198 PHE CD1 . 30456 1 727 . 1 1 209 209 PHE CD2 C 13 130.781 . . 3 . . . . A 198 PHE CD2 . 30456 1 728 . 1 1 209 209 PHE CE1 C 13 130.640 . . 3 . . . . A 198 PHE CE1 . 30456 1 729 . 1 1 209 209 PHE CE2 C 13 130.640 . . 3 . . . . A 198 PHE CE2 . 30456 1 730 . 1 1 209 209 PHE N N 15 123.347 . . 1 . . . . A 198 PHE N . 30456 1 731 . 1 1 212 212 GLY H H 1 7.330 . . 1 . . . . A 201 GLY H . 30456 1 732 . 1 1 212 212 GLY N N 15 103.725 . . 1 . . . . A 201 GLY N . 30456 1 733 . 1 1 213 213 ILE H H 1 7.271 . . 1 . . . . A 202 ILE H . 30456 1 734 . 1 1 213 213 ILE HD11 H 1 0.733 . . 1 . . . . A 202 ILE HD11 . 30456 1 735 . 1 1 213 213 ILE HD12 H 1 0.733 . . 1 . . . . A 202 ILE HD12 . 30456 1 736 . 1 1 213 213 ILE HD13 H 1 0.733 . . 1 . . . . A 202 ILE HD13 . 30456 1 737 . 1 1 213 213 ILE CD1 C 13 13.725 . . 1 . . . . A 202 ILE CD1 . 30456 1 738 . 1 1 213 213 ILE N N 15 119.643 . . 1 . . . . A 202 ILE N . 30456 1 739 . 1 1 214 214 LYS H H 1 6.947 . . 1 . . . . A 203 LYS H . 30456 1 740 . 1 1 214 214 LYS N N 15 117.926 . . 1 . . . . A 203 LYS N . 30456 1 741 . 1 1 215 215 GLY H H 1 8.838 . . 1 . . . . A 204 GLY H . 30456 1 742 . 1 1 215 215 GLY N N 15 109.832 . . 1 . . . . A 204 GLY N . 30456 1 743 . 1 1 216 216 HIS H H 1 7.441 . . 1 . . . . A 205 HIS H . 30456 1 744 . 1 1 216 216 HIS N N 15 118.455 . . 1 . . . . A 205 HIS N . 30456 1 745 . 1 1 217 217 LYS H H 1 8.555 . . 1 . . . . A 206 LYS H . 30456 1 746 . 1 1 217 217 LYS N N 15 118.413 . . 1 . . . . A 206 LYS N . 30456 1 747 . 1 1 218 218 ALA H H 1 8.711 . . 1 . . . . A 207 ALA H . 30456 1 748 . 1 1 218 218 ALA HB1 H 1 1.383 . . 1 . . . . A 207 ALA HB1 . 30456 1 749 . 1 1 218 218 ALA HB2 H 1 1.383 . . 1 . . . . A 207 ALA HB2 . 30456 1 750 . 1 1 218 218 ALA HB3 H 1 1.383 . . 1 . . . . A 207 ALA HB3 . 30456 1 751 . 1 1 218 218 ALA CB C 13 17.844 . . 1 . . . . A 207 ALA CB . 30456 1 752 . 1 1 218 218 ALA N N 15 121.526 . . 1 . . . . A 207 ALA N . 30456 1 753 . 1 1 219 219 GLY H H 1 9.125 . . 1 . . . . A 208 GLY H . 30456 1 754 . 1 1 219 219 GLY N N 15 111.190 . . 1 . . . . A 208 GLY N . 30456 1 755 . 1 1 220 220 GLU H H 1 7.872 . . 1 . . . . A 209 GLU H . 30456 1 756 . 1 1 220 220 GLU N N 15 120.378 . . 1 . . . . A 209 GLU N . 30456 1 757 . 1 1 221 221 GLU H H 1 8.232 . . 1 . . . . A 210 GLU H . 30456 1 758 . 1 1 221 221 GLU N N 15 120.164 . . 1 . . . . A 210 GLU N . 30456 1 759 . 1 1 222 222 PHE H H 1 8.204 . . 1 . . . . A 211 PHE H . 30456 1 760 . 1 1 222 222 PHE HD1 H 1 6.502 . . 3 . . . . A 211 PHE HD1 . 30456 1 761 . 1 1 222 222 PHE HD2 H 1 6.502 . . 3 . . . . A 211 PHE HD2 . 30456 1 762 . 1 1 222 222 PHE HE1 H 1 6.785 . . 3 . . . . A 211 PHE HE1 . 30456 1 763 . 1 1 222 222 PHE HE2 H 1 6.785 . . 3 . . . . A 211 PHE HE2 . 30456 1 764 . 1 1 222 222 PHE HZ H 1 6.737 . . 1 . . . . A 211 PHE HZ . 30456 1 765 . 1 1 222 222 PHE CD1 C 13 132.376 . . 3 . . . . A 211 PHE CD1 . 30456 1 766 . 1 1 222 222 PHE CD2 C 13 132.376 . . 3 . . . . A 211 PHE CD2 . 30456 1 767 . 1 1 222 222 PHE CE1 C 13 130.477 . . 3 . . . . A 211 PHE CE1 . 30456 1 768 . 1 1 222 222 PHE CE2 C 13 130.477 . . 3 . . . . A 211 PHE CE2 . 30456 1 769 . 1 1 222 222 PHE CZ C 13 127.387 . . 1 . . . . A 211 PHE CZ . 30456 1 770 . 1 1 222 222 PHE N N 15 120.839 . . 1 . . . . A 211 PHE N . 30456 1 771 . 1 1 223 223 THR H H 1 8.686 . . 1 . . . . A 212 THR H . 30456 1 772 . 1 1 223 223 THR N N 15 115.993 . . 1 . . . . A 212 THR N . 30456 1 773 . 1 1 224 224 ILE H H 1 8.898 . . 1 . . . . A 213 ILE H . 30456 1 774 . 1 1 224 224 ILE HD11 H 1 0.182 . . 1 . . . . A 213 ILE HD11 . 30456 1 775 . 1 1 224 224 ILE HD12 H 1 0.182 . . 1 . . . . A 213 ILE HD12 . 30456 1 776 . 1 1 224 224 ILE HD13 H 1 0.182 . . 1 . . . . A 213 ILE HD13 . 30456 1 777 . 1 1 224 224 ILE CD1 C 13 14.170 . . 1 . . . . A 213 ILE CD1 . 30456 1 778 . 1 1 224 224 ILE N N 15 120.232 . . 1 . . . . A 213 ILE N . 30456 1 779 . 1 1 225 225 ASP H H 1 8.432 . . 1 . . . . A 214 ASP H . 30456 1 780 . 1 1 225 225 ASP N N 15 123.467 . . 1 . . . . A 214 ASP N . 30456 1 781 . 1 1 226 226 VAL H H 1 8.536 . . 1 . . . . A 215 VAL H . 30456 1 782 . 1 1 226 226 VAL HG11 H 1 0.632 . . 1 . . . . A 215 VAL HG11 . 30456 1 783 . 1 1 226 226 VAL HG12 H 1 0.632 . . 1 . . . . A 215 VAL HG12 . 30456 1 784 . 1 1 226 226 VAL HG13 H 1 0.632 . . 1 . . . . A 215 VAL HG13 . 30456 1 785 . 1 1 226 226 VAL HG21 H 1 0.586 . . 1 . . . . A 215 VAL HG21 . 30456 1 786 . 1 1 226 226 VAL HG22 H 1 0.586 . . 1 . . . . A 215 VAL HG22 . 30456 1 787 . 1 1 226 226 VAL HG23 H 1 0.586 . . 1 . . . . A 215 VAL HG23 . 30456 1 788 . 1 1 226 226 VAL CG1 C 13 20.772 . . 1 . . . . A 215 VAL CG1 . 30456 1 789 . 1 1 226 226 VAL CG2 C 13 21.450 . . 1 . . . . A 215 VAL CG2 . 30456 1 790 . 1 1 226 226 VAL N N 15 119.168 . . 1 . . . . A 215 VAL N . 30456 1 791 . 1 1 227 227 THR H H 1 8.546 . . 1 . . . . A 216 THR H . 30456 1 792 . 1 1 227 227 THR N N 15 120.644 . . 1 . . . . A 216 THR N . 30456 1 793 . 1 1 228 228 PHE H H 1 8.856 . . 1 . . . . A 217 PHE H . 30456 1 794 . 1 1 228 228 PHE HD1 H 1 6.424 . . 3 . . . . A 217 PHE HD1 . 30456 1 795 . 1 1 228 228 PHE HD2 H 1 6.424 . . 3 . . . . A 217 PHE HD2 . 30456 1 796 . 1 1 228 228 PHE HE1 H 1 6.889 . . 3 . . . . A 217 PHE HE1 . 30456 1 797 . 1 1 228 228 PHE HE2 H 1 6.889 . . 3 . . . . A 217 PHE HE2 . 30456 1 798 . 1 1 228 228 PHE HZ H 1 7.026 . . 1 . . . . A 217 PHE HZ . 30456 1 799 . 1 1 228 228 PHE CD1 C 13 131.542 . . 3 . . . . A 217 PHE CD1 . 30456 1 800 . 1 1 228 228 PHE CD2 C 13 131.542 . . 3 . . . . A 217 PHE CD2 . 30456 1 801 . 1 1 228 228 PHE CE1 C 13 131.259 . . 3 . . . . A 217 PHE CE1 . 30456 1 802 . 1 1 228 228 PHE CE2 C 13 131.259 . . 3 . . . . A 217 PHE CE2 . 30456 1 803 . 1 1 228 228 PHE CZ C 13 128.938 . . 1 . . . . A 217 PHE CZ . 30456 1 804 . 1 1 228 228 PHE N N 15 127.934 . . 1 . . . . A 217 PHE N . 30456 1 805 . 1 1 230 230 GLU H H 1 8.846 . . 1 . . . . A 219 GLU H . 30456 1 806 . 1 1 230 230 GLU N N 15 123.665 . . 1 . . . . A 219 GLU N . 30456 1 807 . 1 1 231 231 GLU H H 1 8.221 . . 1 . . . . A 220 GLU H . 30456 1 808 . 1 1 231 231 GLU N N 15 114.985 . . 1 . . . . A 220 GLU N . 30456 1 809 . 1 1 232 232 TYR H H 1 7.404 . . 1 . . . . A 221 TYR H . 30456 1 810 . 1 1 232 232 TYR HD1 H 1 7.104 . . 3 . . . . A 221 TYR HD1 . 30456 1 811 . 1 1 232 232 TYR HD2 H 1 7.104 . . 3 . . . . A 221 TYR HD2 . 30456 1 812 . 1 1 232 232 TYR HE1 H 1 6.714 . . 3 . . . . A 221 TYR HE1 . 30456 1 813 . 1 1 232 232 TYR HE2 H 1 6.714 . . 3 . . . . A 221 TYR HE2 . 30456 1 814 . 1 1 232 232 TYR CD1 C 13 132.206 . . 3 . . . . A 221 TYR CD1 . 30456 1 815 . 1 1 232 232 TYR CD2 C 13 132.206 . . 3 . . . . A 221 TYR CD2 . 30456 1 816 . 1 1 232 232 TYR CE1 C 13 119.890 . . 3 . . . . A 221 TYR CE1 . 30456 1 817 . 1 1 232 232 TYR CE2 C 13 119.890 . . 3 . . . . A 221 TYR CE2 . 30456 1 818 . 1 1 232 232 TYR N N 15 122.560 . . 1 . . . . A 221 TYR N . 30456 1 819 . 1 1 234 234 ALA H H 1 5.526 . . 1 . . . . A 223 ALA H . 30456 1 820 . 1 1 234 234 ALA HB1 H 1 1.131 . . 1 . . . . A 223 ALA HB1 . 30456 1 821 . 1 1 234 234 ALA HB2 H 1 1.131 . . 1 . . . . A 223 ALA HB2 . 30456 1 822 . 1 1 234 234 ALA HB3 H 1 1.131 . . 1 . . . . A 223 ALA HB3 . 30456 1 823 . 1 1 234 234 ALA CB C 13 18.362 . . 1 . . . . A 223 ALA CB . 30456 1 824 . 1 1 234 234 ALA N N 15 123.099 . . 1 . . . . A 223 ALA N . 30456 1 825 . 1 1 235 235 GLU H H 1 8.884 . . 1 . . . . A 224 GLU H . 30456 1 826 . 1 1 235 235 GLU N N 15 127.384 . . 1 . . . . A 224 GLU N . 30456 1 827 . 1 1 236 236 ASN H H 1 8.672 . . 1 . . . . A 225 ASN H . 30456 1 828 . 1 1 236 236 ASN N N 15 113.341 . . 1 . . . . A 225 ASN N . 30456 1 829 . 1 1 237 237 LEU H H 1 7.019 . . 1 . . . . A 226 LEU H . 30456 1 830 . 1 1 237 237 LEU HD11 H 1 0.090 . . 1 . . . . A 226 LEU HD11 . 30456 1 831 . 1 1 237 237 LEU HD12 H 1 0.090 . . 1 . . . . A 226 LEU HD12 . 30456 1 832 . 1 1 237 237 LEU HD13 H 1 0.090 . . 1 . . . . A 226 LEU HD13 . 30456 1 833 . 1 1 237 237 LEU HD21 H 1 -0.279 . . 1 . . . . A 226 LEU HD21 . 30456 1 834 . 1 1 237 237 LEU HD22 H 1 -0.279 . . 1 . . . . A 226 LEU HD22 . 30456 1 835 . 1 1 237 237 LEU HD23 H 1 -0.279 . . 1 . . . . A 226 LEU HD23 . 30456 1 836 . 1 1 237 237 LEU CD1 C 13 24.910 . . 1 . . . . A 226 LEU CD1 . 30456 1 837 . 1 1 237 237 LEU CD2 C 13 20.975 . . 1 . . . . A 226 LEU CD2 . 30456 1 838 . 1 1 237 237 LEU N N 15 117.818 . . 1 . . . . A 226 LEU N . 30456 1 839 . 1 1 238 238 LYS H H 1 6.955 . . 1 . . . . A 227 LYS H . 30456 1 840 . 1 1 238 238 LYS N N 15 117.679 . . 1 . . . . A 227 LYS N . 30456 1 841 . 1 1 239 239 GLY H H 1 7.086 . . 1 . . . . A 228 GLY H . 30456 1 842 . 1 1 239 239 GLY N N 15 111.745 . . 1 . . . . A 228 GLY N . 30456 1 843 . 1 1 240 240 LYS H H 1 7.809 . . 1 . . . . A 229 LYS H . 30456 1 844 . 1 1 240 240 LYS N N 15 119.772 . . 1 . . . . A 229 LYS N . 30456 1 845 . 1 1 241 241 ALA HB1 H 1 1.404 . . 1 . . . . A 230 ALA HB1 . 30456 1 846 . 1 1 241 241 ALA HB2 H 1 1.404 . . 1 . . . . A 230 ALA HB2 . 30456 1 847 . 1 1 241 241 ALA HB3 H 1 1.404 . . 1 . . . . A 230 ALA HB3 . 30456 1 848 . 1 1 241 241 ALA CB C 13 18.742 . . 1 . . . . A 230 ALA CB . 30456 1 849 . 1 1 242 242 ALA H H 1 9.232 . . 1 . . . . A 231 ALA H . 30456 1 850 . 1 1 242 242 ALA HB1 H 1 1.272 . . 1 . . . . A 231 ALA HB1 . 30456 1 851 . 1 1 242 242 ALA HB2 H 1 1.272 . . 1 . . . . A 231 ALA HB2 . 30456 1 852 . 1 1 242 242 ALA HB3 H 1 1.272 . . 1 . . . . A 231 ALA HB3 . 30456 1 853 . 1 1 242 242 ALA CB C 13 24.155 . . 1 . . . . A 231 ALA CB . 30456 1 854 . 1 1 242 242 ALA N N 15 127.194 . . 1 . . . . A 231 ALA N . 30456 1 855 . 1 1 243 243 LYS H H 1 8.609 . . 1 . . . . A 232 LYS H . 30456 1 856 . 1 1 243 243 LYS N N 15 121.104 . . 1 . . . . A 232 LYS N . 30456 1 857 . 1 1 244 244 PHE H H 1 9.054 . . 1 . . . . A 233 PHE H . 30456 1 858 . 1 1 244 244 PHE HD1 H 1 6.970 . . 3 . . . . A 233 PHE HD1 . 30456 1 859 . 1 1 244 244 PHE HD2 H 1 6.970 . . 3 . . . . A 233 PHE HD2 . 30456 1 860 . 1 1 244 244 PHE HE1 H 1 7.141 . . 3 . . . . A 233 PHE HE1 . 30456 1 861 . 1 1 244 244 PHE HE2 H 1 7.141 . . 3 . . . . A 233 PHE HE2 . 30456 1 862 . 1 1 244 244 PHE HZ H 1 7.390 . . 1 . . . . A 233 PHE HZ . 30456 1 863 . 1 1 244 244 PHE CD1 C 13 131.678 . . 3 . . . . A 233 PHE CD1 . 30456 1 864 . 1 1 244 244 PHE CD2 C 13 131.678 . . 3 . . . . A 233 PHE CD2 . 30456 1 865 . 1 1 244 244 PHE CE1 C 13 131.407 . . 3 . . . . A 233 PHE CE1 . 30456 1 866 . 1 1 244 244 PHE CE2 C 13 131.407 . . 3 . . . . A 233 PHE CE2 . 30456 1 867 . 1 1 244 244 PHE CZ C 13 130.234 . . 1 . . . . A 233 PHE CZ . 30456 1 868 . 1 1 244 244 PHE N N 15 119.347 . . 1 . . . . A 233 PHE N . 30456 1 869 . 1 1 245 245 ALA H H 1 8.538 . . 1 . . . . A 234 ALA H . 30456 1 870 . 1 1 245 245 ALA HB1 H 1 1.323 . . 1 . . . . A 234 ALA HB1 . 30456 1 871 . 1 1 245 245 ALA HB2 H 1 1.323 . . 1 . . . . A 234 ALA HB2 . 30456 1 872 . 1 1 245 245 ALA HB3 H 1 1.323 . . 1 . . . . A 234 ALA HB3 . 30456 1 873 . 1 1 245 245 ALA CB C 13 18.639 . . 1 . . . . A 234 ALA CB . 30456 1 874 . 1 1 245 245 ALA N N 15 128.111 . . 1 . . . . A 234 ALA N . 30456 1 875 . 1 1 246 246 ILE H H 1 9.080 . . 1 . . . . A 235 ILE H . 30456 1 876 . 1 1 246 246 ILE HD11 H 1 0.277 . . 1 . . . . A 235 ILE HD11 . 30456 1 877 . 1 1 246 246 ILE HD12 H 1 0.277 . . 1 . . . . A 235 ILE HD12 . 30456 1 878 . 1 1 246 246 ILE HD13 H 1 0.277 . . 1 . . . . A 235 ILE HD13 . 30456 1 879 . 1 1 246 246 ILE CD1 C 13 12.032 . . 1 . . . . A 235 ILE CD1 . 30456 1 880 . 1 1 246 246 ILE N N 15 126.832 . . 1 . . . . A 235 ILE N . 30456 1 881 . 1 1 247 247 ASN H H 1 8.518 . . 1 . . . . A 236 ASN H . 30456 1 882 . 1 1 247 247 ASN N N 15 124.666 . . 1 . . . . A 236 ASN N . 30456 1 883 . 1 1 248 248 LEU H H 1 8.537 . . 1 . . . . A 237 LEU H . 30456 1 884 . 1 1 248 248 LEU HD11 H 1 0.817 . . 1 . . . . A 237 LEU HD11 . 30456 1 885 . 1 1 248 248 LEU HD12 H 1 0.817 . . 1 . . . . A 237 LEU HD12 . 30456 1 886 . 1 1 248 248 LEU HD13 H 1 0.817 . . 1 . . . . A 237 LEU HD13 . 30456 1 887 . 1 1 248 248 LEU HD21 H 1 0.851 . . 1 . . . . A 237 LEU HD21 . 30456 1 888 . 1 1 248 248 LEU HD22 H 1 0.851 . . 1 . . . . A 237 LEU HD22 . 30456 1 889 . 1 1 248 248 LEU HD23 H 1 0.851 . . 1 . . . . A 237 LEU HD23 . 30456 1 890 . 1 1 248 248 LEU CD1 C 13 26.846 . . 1 . . . . A 237 LEU CD1 . 30456 1 891 . 1 1 248 248 LEU CD2 C 13 24.795 . . 1 . . . . A 237 LEU CD2 . 30456 1 892 . 1 1 248 248 LEU N N 15 127.879 . . 1 . . . . A 237 LEU N . 30456 1 893 . 1 1 249 249 LYS H H 1 8.619 . . 1 . . . . A 238 LYS H . 30456 1 894 . 1 1 249 249 LYS N N 15 127.849 . . 1 . . . . A 238 LYS N . 30456 1 895 . 1 1 250 250 LYS H H 1 7.536 . . 1 . . . . A 239 LYS H . 30456 1 896 . 1 1 250 250 LYS N N 15 118.373 . . 1 . . . . A 239 LYS N . 30456 1 897 . 1 1 251 251 VAL H H 1 9.122 . . 1 . . . . A 240 VAL H . 30456 1 898 . 1 1 251 251 VAL HG11 H 1 1.000 . . 1 . . . . A 240 VAL HG11 . 30456 1 899 . 1 1 251 251 VAL HG12 H 1 1.000 . . 1 . . . . A 240 VAL HG12 . 30456 1 900 . 1 1 251 251 VAL HG13 H 1 1.000 . . 1 . . . . A 240 VAL HG13 . 30456 1 901 . 1 1 251 251 VAL HG21 H 1 1.031 . . 1 . . . . A 240 VAL HG21 . 30456 1 902 . 1 1 251 251 VAL HG22 H 1 1.031 . . 1 . . . . A 240 VAL HG22 . 30456 1 903 . 1 1 251 251 VAL HG23 H 1 1.031 . . 1 . . . . A 240 VAL HG23 . 30456 1 904 . 1 1 251 251 VAL CG1 C 13 22.743 . . 1 . . . . A 240 VAL CG1 . 30456 1 905 . 1 1 251 251 VAL CG2 C 13 22.673 . . 1 . . . . A 240 VAL CG2 . 30456 1 906 . 1 1 251 251 VAL N N 15 126.866 . . 1 . . . . A 240 VAL N . 30456 1 907 . 1 1 252 252 GLU H H 1 9.315 . . 1 . . . . A 241 GLU H . 30456 1 908 . 1 1 252 252 GLU N N 15 125.267 . . 1 . . . . A 241 GLU N . 30456 1 909 . 1 1 253 253 GLU H H 1 9.427 . . 1 . . . . A 242 GLU H . 30456 1 910 . 1 1 253 253 GLU N N 15 117.798 . . 1 . . . . A 242 GLU N . 30456 1 911 . 1 1 254 254 ARG H H 1 8.378 . . 1 . . . . A 243 ARG H . 30456 1 912 . 1 1 254 254 ARG N N 15 124.086 . . 1 . . . . A 243 ARG N . 30456 1 913 . 1 1 255 255 GLU H H 1 8.226 . . 1 . . . . A 244 GLU H . 30456 1 914 . 1 1 255 255 GLU N N 15 124.517 . . 1 . . . . A 244 GLU N . 30456 1 915 . 1 1 256 256 LEU HD11 H 1 0.739 . . 1 . . . . A 245 LEU HD11 . 30456 1 916 . 1 1 256 256 LEU HD12 H 1 0.739 . . 1 . . . . A 245 LEU HD12 . 30456 1 917 . 1 1 256 256 LEU HD13 H 1 0.739 . . 1 . . . . A 245 LEU HD13 . 30456 1 918 . 1 1 256 256 LEU HD21 H 1 0.620 . . 1 . . . . A 245 LEU HD21 . 30456 1 919 . 1 1 256 256 LEU HD22 H 1 0.620 . . 1 . . . . A 245 LEU HD22 . 30456 1 920 . 1 1 256 256 LEU HD23 H 1 0.620 . . 1 . . . . A 245 LEU HD23 . 30456 1 921 . 1 1 256 256 LEU CD1 C 13 24.722 . . 1 . . . . A 245 LEU CD1 . 30456 1 922 . 1 1 256 256 LEU CD2 C 13 23.772 . . 1 . . . . A 245 LEU CD2 . 30456 1 923 . 1 1 258 258 GLU H H 1 8.401 . . 1 . . . . A 247 GLU H . 30456 1 924 . 1 1 258 258 GLU N N 15 120.978 . . 1 . . . . A 247 GLU N . 30456 1 925 . 1 1 259 259 LEU HD11 H 1 0.504 . . 1 . . . . A 248 LEU HD11 . 30456 1 926 . 1 1 259 259 LEU HD12 H 1 0.504 . . 1 . . . . A 248 LEU HD12 . 30456 1 927 . 1 1 259 259 LEU HD13 H 1 0.504 . . 1 . . . . A 248 LEU HD13 . 30456 1 928 . 1 1 259 259 LEU HD21 H 1 0.815 . . 1 . . . . A 248 LEU HD21 . 30456 1 929 . 1 1 259 259 LEU HD22 H 1 0.815 . . 1 . . . . A 248 LEU HD22 . 30456 1 930 . 1 1 259 259 LEU HD23 H 1 0.815 . . 1 . . . . A 248 LEU HD23 . 30456 1 931 . 1 1 259 259 LEU CD1 C 13 22.647 . . 1 . . . . A 248 LEU CD1 . 30456 1 932 . 1 1 259 259 LEU CD2 C 13 25.467 . . 1 . . . . A 248 LEU CD2 . 30456 1 933 . 1 1 260 260 THR H H 1 7.754 . . 1 . . . . A 249 THR H . 30456 1 934 . 1 1 260 260 THR N N 15 112.985 . . 1 . . . . A 249 THR N . 30456 1 935 . 1 1 261 261 ALA HB1 H 1 1.492 . . 1 . . . . A 250 ALA HB1 . 30456 1 936 . 1 1 261 261 ALA HB2 H 1 1.492 . . 1 . . . . A 250 ALA HB2 . 30456 1 937 . 1 1 261 261 ALA HB3 H 1 1.492 . . 1 . . . . A 250 ALA HB3 . 30456 1 938 . 1 1 261 261 ALA CB C 13 18.225 . . 1 . . . . A 250 ALA CB . 30456 1 939 . 1 1 263 263 PHE H H 1 7.855 . . 1 . . . . A 252 PHE H . 30456 1 940 . 1 1 263 263 PHE HD1 H 1 7.238 . . 3 . . . . A 252 PHE HD1 . 30456 1 941 . 1 1 263 263 PHE HD2 H 1 7.238 . . 3 . . . . A 252 PHE HD2 . 30456 1 942 . 1 1 263 263 PHE HE1 H 1 7.191 . . 3 . . . . A 252 PHE HE1 . 30456 1 943 . 1 1 263 263 PHE HE2 H 1 7.191 . . 3 . . . . A 252 PHE HE2 . 30456 1 944 . 1 1 263 263 PHE CD1 C 13 131.963 . . 3 . . . . A 252 PHE CD1 . 30456 1 945 . 1 1 263 263 PHE CD2 C 13 131.963 . . 3 . . . . A 252 PHE CD2 . 30456 1 946 . 1 1 263 263 PHE CE1 C 13 131.179 . . 3 . . . . A 252 PHE CE1 . 30456 1 947 . 1 1 263 263 PHE CE2 C 13 131.179 . . 3 . . . . A 252 PHE CE2 . 30456 1 948 . 1 1 263 263 PHE N N 15 121.991 . . 1 . . . . A 252 PHE N . 30456 1 949 . 1 1 264 264 ILE HD11 H 1 0.623 . . 1 . . . . A 253 ILE HD11 . 30456 1 950 . 1 1 264 264 ILE HD12 H 1 0.623 . . 1 . . . . A 253 ILE HD12 . 30456 1 951 . 1 1 264 264 ILE HD13 H 1 0.623 . . 1 . . . . A 253 ILE HD13 . 30456 1 952 . 1 1 264 264 ILE CD1 C 13 13.463 . . 1 . . . . A 253 ILE CD1 . 30456 1 953 . 1 1 267 267 PHE HD1 H 1 7.048 . . 3 . . . . A 256 PHE HD1 . 30456 1 954 . 1 1 267 267 PHE HD2 H 1 7.048 . . 3 . . . . A 256 PHE HD2 . 30456 1 955 . 1 1 267 267 PHE HE1 H 1 7.392 . . 3 . . . . A 256 PHE HE1 . 30456 1 956 . 1 1 267 267 PHE HE2 H 1 7.392 . . 3 . . . . A 256 PHE HE2 . 30456 1 957 . 1 1 267 267 PHE CD1 C 13 132.046 . . 3 . . . . A 256 PHE CD1 . 30456 1 958 . 1 1 267 267 PHE CD2 C 13 132.046 . . 3 . . . . A 256 PHE CD2 . 30456 1 959 . 1 1 267 267 PHE CE1 C 13 131.579 . . 3 . . . . A 256 PHE CE1 . 30456 1 960 . 1 1 267 267 PHE CE2 C 13 131.579 . . 3 . . . . A 256 PHE CE2 . 30456 1 961 . 1 1 269 269 VAL HG11 H 1 0.735 . . 1 . . . . A 258 VAL HG11 . 30456 1 962 . 1 1 269 269 VAL HG12 H 1 0.735 . . 1 . . . . A 258 VAL HG12 . 30456 1 963 . 1 1 269 269 VAL HG13 H 1 0.735 . . 1 . . . . A 258 VAL HG13 . 30456 1 964 . 1 1 269 269 VAL HG21 H 1 0.826 . . 1 . . . . A 258 VAL HG21 . 30456 1 965 . 1 1 269 269 VAL HG22 H 1 0.826 . . 1 . . . . A 258 VAL HG22 . 30456 1 966 . 1 1 269 269 VAL HG23 H 1 0.826 . . 1 . . . . A 258 VAL HG23 . 30456 1 967 . 1 1 269 269 VAL CG1 C 13 20.822 . . 1 . . . . A 258 VAL CG1 . 30456 1 968 . 1 1 269 269 VAL CG2 C 13 20.307 . . 1 . . . . A 258 VAL CG2 . 30456 1 969 . 1 1 271 271 ASP H H 1 8.307 . . 1 . . . . A 260 ASP H . 30456 1 970 . 1 1 271 271 ASP N N 15 117.732 . . 1 . . . . A 260 ASP N . 30456 1 971 . 1 1 272 272 GLY H H 1 8.121 . . 1 . . . . A 261 GLY H . 30456 1 972 . 1 1 272 272 GLY N N 15 108.781 . . 1 . . . . A 261 GLY N . 30456 1 973 . 1 1 273 273 SER H H 1 8.266 . . 1 . . . . A 262 SER H . 30456 1 974 . 1 1 273 273 SER N N 15 115.685 . . 1 . . . . A 262 SER N . 30456 1 975 . 1 1 274 274 VAL HG11 H 1 0.887 . . 1 . . . . A 263 VAL HG11 . 30456 1 976 . 1 1 274 274 VAL HG12 H 1 0.887 . . 1 . . . . A 263 VAL HG12 . 30456 1 977 . 1 1 274 274 VAL HG13 H 1 0.887 . . 1 . . . . A 263 VAL HG13 . 30456 1 978 . 1 1 274 274 VAL HG21 H 1 1.048 . . 1 . . . . A 263 VAL HG21 . 30456 1 979 . 1 1 274 274 VAL HG22 H 1 1.048 . . 1 . . . . A 263 VAL HG22 . 30456 1 980 . 1 1 274 274 VAL HG23 H 1 1.048 . . 1 . . . . A 263 VAL HG23 . 30456 1 981 . 1 1 274 274 VAL CG1 C 13 20.962 . . 1 . . . . A 263 VAL CG1 . 30456 1 982 . 1 1 274 274 VAL CG2 C 13 23.123 . . 1 . . . . A 263 VAL CG2 . 30456 1 983 . 1 1 275 275 GLU H H 1 8.720 . . 1 . . . . A 264 GLU H . 30456 1 984 . 1 1 275 275 GLU N N 15 121.474 . . 1 . . . . A 264 GLU N . 30456 1 985 . 1 1 276 276 GLY H H 1 8.348 . . 1 . . . . A 265 GLY H . 30456 1 986 . 1 1 276 276 GLY N N 15 110.806 . . 1 . . . . A 265 GLY N . 30456 1 987 . 1 1 277 277 LEU H H 1 8.049 . . 1 . . . . A 266 LEU H . 30456 1 988 . 1 1 277 277 LEU HD11 H 1 0.484 . . 1 . . . . A 266 LEU HD11 . 30456 1 989 . 1 1 277 277 LEU HD12 H 1 0.484 . . 1 . . . . A 266 LEU HD12 . 30456 1 990 . 1 1 277 277 LEU HD13 H 1 0.484 . . 1 . . . . A 266 LEU HD13 . 30456 1 991 . 1 1 277 277 LEU HD21 H 1 0.763 . . 1 . . . . A 266 LEU HD21 . 30456 1 992 . 1 1 277 277 LEU HD22 H 1 0.763 . . 1 . . . . A 266 LEU HD22 . 30456 1 993 . 1 1 277 277 LEU HD23 H 1 0.763 . . 1 . . . . A 266 LEU HD23 . 30456 1 994 . 1 1 277 277 LEU CD1 C 13 23.472 . . 1 . . . . A 266 LEU CD1 . 30456 1 995 . 1 1 277 277 LEU CD2 C 13 26.025 . . 1 . . . . A 266 LEU CD2 . 30456 1 996 . 1 1 277 277 LEU N N 15 124.704 . . 1 . . . . A 266 LEU N . 30456 1 997 . 1 1 278 278 ARG H H 1 8.538 . . 1 . . . . A 267 ARG H . 30456 1 998 . 1 1 278 278 ARG N N 15 119.013 . . 1 . . . . A 267 ARG N . 30456 1 999 . 1 1 279 279 ALA H H 1 7.667 . . 1 . . . . A 268 ALA H . 30456 1 1000 . 1 1 279 279 ALA HB1 H 1 1.532 . . 1 . . . . A 268 ALA HB1 . 30456 1 1001 . 1 1 279 279 ALA HB2 H 1 1.532 . . 1 . . . . A 268 ALA HB2 . 30456 1 1002 . 1 1 279 279 ALA HB3 H 1 1.532 . . 1 . . . . A 268 ALA HB3 . 30456 1 1003 . 1 1 279 279 ALA CB C 13 17.988 . . 1 . . . . A 268 ALA CB . 30456 1 1004 . 1 1 279 279 ALA N N 15 120.063 . . 1 . . . . A 268 ALA N . 30456 1 1005 . 1 1 280 280 GLU H H 1 7.854 . . 1 . . . . A 269 GLU H . 30456 1 1006 . 1 1 280 280 GLU N N 15 121.108 . . 1 . . . . A 269 GLU N . 30456 1 1007 . 1 1 281 281 VAL H H 1 8.322 . . 1 . . . . A 270 VAL H . 30456 1 1008 . 1 1 281 281 VAL HG11 H 1 0.877 . . 1 . . . . A 270 VAL HG11 . 30456 1 1009 . 1 1 281 281 VAL HG12 H 1 0.877 . . 1 . . . . A 270 VAL HG12 . 30456 1 1010 . 1 1 281 281 VAL HG13 H 1 0.877 . . 1 . . . . A 270 VAL HG13 . 30456 1 1011 . 1 1 281 281 VAL HG21 H 1 1.032 . . 1 . . . . A 270 VAL HG21 . 30456 1 1012 . 1 1 281 281 VAL HG22 H 1 1.032 . . 1 . . . . A 270 VAL HG22 . 30456 1 1013 . 1 1 281 281 VAL HG23 H 1 1.032 . . 1 . . . . A 270 VAL HG23 . 30456 1 1014 . 1 1 281 281 VAL CG1 C 13 22.760 . . 1 . . . . A 270 VAL CG1 . 30456 1 1015 . 1 1 281 281 VAL CG2 C 13 22.232 . . 1 . . . . A 270 VAL CG2 . 30456 1 1016 . 1 1 281 281 VAL N N 15 119.859 . . 1 . . . . A 270 VAL N . 30456 1 1017 . 1 1 282 282 ARG H H 1 7.598 . . 1 . . . . A 271 ARG H . 30456 1 1018 . 1 1 282 282 ARG N N 15 123.307 . . 1 . . . . A 271 ARG N . 30456 1 1019 . 1 1 285 285 MET HE1 H 1 2.096 . . 1 . . . . A 274 MET HE1 . 30456 1 1020 . 1 1 285 285 MET HE2 H 1 2.096 . . 1 . . . . A 274 MET HE2 . 30456 1 1021 . 1 1 285 285 MET HE3 H 1 2.096 . . 1 . . . . A 274 MET HE3 . 30456 1 1022 . 1 1 285 285 MET CE C 13 16.948 . . 1 . . . . A 274 MET CE . 30456 1 1023 . 1 1 288 288 GLU H H 1 8.167 . . 1 . . . . A 277 GLU H . 30456 1 1024 . 1 1 288 288 GLU N N 15 120.368 . . 1 . . . . A 277 GLU N . 30456 1 1025 . 1 1 289 289 LEU H H 1 8.822 . . 1 . . . . A 278 LEU H . 30456 1 1026 . 1 1 289 289 LEU HD11 H 1 0.988 . . 1 . . . . A 278 LEU HD11 . 30456 1 1027 . 1 1 289 289 LEU HD12 H 1 0.988 . . 1 . . . . A 278 LEU HD12 . 30456 1 1028 . 1 1 289 289 LEU HD13 H 1 0.988 . . 1 . . . . A 278 LEU HD13 . 30456 1 1029 . 1 1 289 289 LEU HD21 H 1 0.862 . . 1 . . . . A 278 LEU HD21 . 30456 1 1030 . 1 1 289 289 LEU HD22 H 1 0.862 . . 1 . . . . A 278 LEU HD22 . 30456 1 1031 . 1 1 289 289 LEU HD23 H 1 0.862 . . 1 . . . . A 278 LEU HD23 . 30456 1 1032 . 1 1 289 289 LEU CD1 C 13 26.193 . . 1 . . . . A 278 LEU CD1 . 30456 1 1033 . 1 1 289 289 LEU CD2 C 13 24.039 . . 1 . . . . A 278 LEU CD2 . 30456 1 1034 . 1 1 289 289 LEU N N 15 122.349 . . 1 . . . . A 278 LEU N . 30456 1 1035 . 1 1 290 290 LYS H H 1 7.974 . . 1 . . . . A 279 LYS H . 30456 1 1036 . 1 1 290 290 LYS N N 15 119.069 . . 1 . . . . A 279 LYS N . 30456 1 1037 . 1 1 292 292 ALA H H 1 8.147 . . 1 . . . . A 281 ALA H . 30456 1 1038 . 1 1 292 292 ALA HB1 H 1 1.410 . . 1 . . . . A 281 ALA HB1 . 30456 1 1039 . 1 1 292 292 ALA HB2 H 1 1.410 . . 1 . . . . A 281 ALA HB2 . 30456 1 1040 . 1 1 292 292 ALA HB3 H 1 1.410 . . 1 . . . . A 281 ALA HB3 . 30456 1 1041 . 1 1 292 292 ALA CB C 13 18.809 . . 1 . . . . A 281 ALA CB . 30456 1 1042 . 1 1 292 292 ALA N N 15 125.507 . . 1 . . . . A 281 ALA N . 30456 1 1043 . 1 1 293 293 ILE H H 1 8.775 . . 1 . . . . A 282 ILE H . 30456 1 1044 . 1 1 293 293 ILE HD11 H 1 0.836 . . 1 . . . . A 282 ILE HD11 . 30456 1 1045 . 1 1 293 293 ILE HD12 H 1 0.836 . . 1 . . . . A 282 ILE HD12 . 30456 1 1046 . 1 1 293 293 ILE HD13 H 1 0.836 . . 1 . . . . A 282 ILE HD13 . 30456 1 1047 . 1 1 293 293 ILE CD1 C 13 14.109 . . 1 . . . . A 282 ILE CD1 . 30456 1 1048 . 1 1 293 293 ILE N N 15 121.034 . . 1 . . . . A 282 ILE N . 30456 1 1049 . 1 1 294 294 ARG H H 1 7.638 . . 1 . . . . A 283 ARG H . 30456 1 1050 . 1 1 294 294 ARG N N 15 119.205 . . 1 . . . . A 283 ARG N . 30456 1 1051 . 1 1 295 295 ASN H H 1 8.346 . . 1 . . . . A 284 ASN H . 30456 1 1052 . 1 1 295 295 ASN N N 15 117.621 . . 1 . . . . A 284 ASN N . 30456 1 1053 . 1 1 296 296 ARG H H 1 8.230 . . 1 . . . . A 285 ARG H . 30456 1 1054 . 1 1 296 296 ARG N N 15 123.501 . . 1 . . . . A 285 ARG N . 30456 1 1055 . 1 1 297 297 VAL H H 1 8.356 . . 1 . . . . A 286 VAL H . 30456 1 1056 . 1 1 297 297 VAL HG11 H 1 0.927 . . 1 . . . . A 286 VAL HG11 . 30456 1 1057 . 1 1 297 297 VAL HG12 H 1 0.927 . . 1 . . . . A 286 VAL HG12 . 30456 1 1058 . 1 1 297 297 VAL HG13 H 1 0.927 . . 1 . . . . A 286 VAL HG13 . 30456 1 1059 . 1 1 297 297 VAL HG21 H 1 1.093 . . 1 . . . . A 286 VAL HG21 . 30456 1 1060 . 1 1 297 297 VAL HG22 H 1 1.093 . . 1 . . . . A 286 VAL HG22 . 30456 1 1061 . 1 1 297 297 VAL HG23 H 1 1.093 . . 1 . . . . A 286 VAL HG23 . 30456 1 1062 . 1 1 297 297 VAL CG1 C 13 21.879 . . 1 . . . . A 286 VAL CG1 . 30456 1 1063 . 1 1 297 297 VAL CG2 C 13 22.189 . . 1 . . . . A 286 VAL CG2 . 30456 1 1064 . 1 1 297 297 VAL N N 15 120.122 . . 1 . . . . A 286 VAL N . 30456 1 1065 . 1 1 298 298 LYS H H 1 8.276 . . 1 . . . . A 287 LYS H . 30456 1 1066 . 1 1 298 298 LYS N N 15 120.644 . . 1 . . . . A 287 LYS N . 30456 1 1067 . 1 1 299 299 SER H H 1 8.189 . . 1 . . . . A 288 SER H . 30456 1 1068 . 1 1 299 299 SER N N 15 113.085 . . 1 . . . . A 288 SER N . 30456 1 1069 . 1 1 300 300 GLN H H 1 7.401 . . 1 . . . . A 289 GLN H . 30456 1 1070 . 1 1 300 300 GLN N N 15 119.502 . . 1 . . . . A 289 GLN N . 30456 1 1071 . 1 1 301 301 ALA H H 1 8.203 . . 1 . . . . A 290 ALA H . 30456 1 1072 . 1 1 301 301 ALA HB1 H 1 1.414 . . 1 . . . . A 290 ALA HB1 . 30456 1 1073 . 1 1 301 301 ALA HB2 H 1 1.414 . . 1 . . . . A 290 ALA HB2 . 30456 1 1074 . 1 1 301 301 ALA HB3 H 1 1.414 . . 1 . . . . A 290 ALA HB3 . 30456 1 1075 . 1 1 301 301 ALA CB C 13 17.631 . . 1 . . . . A 290 ALA CB . 30456 1 1076 . 1 1 301 301 ALA N N 15 124.449 . . 1 . . . . A 290 ALA N . 30456 1 1077 . 1 1 302 302 ILE H H 1 8.374 . . 1 . . . . A 291 ILE H . 30456 1 1078 . 1 1 302 302 ILE HD11 H 1 0.787 . . 1 . . . . A 291 ILE HD11 . 30456 1 1079 . 1 1 302 302 ILE HD12 H 1 0.787 . . 1 . . . . A 291 ILE HD12 . 30456 1 1080 . 1 1 302 302 ILE HD13 H 1 0.787 . . 1 . . . . A 291 ILE HD13 . 30456 1 1081 . 1 1 302 302 ILE CD1 C 13 12.103 . . 1 . . . . A 291 ILE CD1 . 30456 1 1082 . 1 1 302 302 ILE N N 15 116.529 . . 1 . . . . A 291 ILE N . 30456 1 1083 . 1 1 303 303 GLU H H 1 8.346 . . 1 . . . . A 292 GLU H . 30456 1 1084 . 1 1 303 303 GLU N N 15 119.863 . . 1 . . . . A 292 GLU N . 30456 1 1085 . 1 1 305 305 LEU HD11 H 1 0.763 . . 1 . . . . A 294 LEU HD11 . 30456 1 1086 . 1 1 305 305 LEU HD12 H 1 0.763 . . 1 . . . . A 294 LEU HD12 . 30456 1 1087 . 1 1 305 305 LEU HD13 H 1 0.763 . . 1 . . . . A 294 LEU HD13 . 30456 1 1088 . 1 1 305 305 LEU HD21 H 1 0.802 . . 1 . . . . A 294 LEU HD21 . 30456 1 1089 . 1 1 305 305 LEU HD22 H 1 0.802 . . 1 . . . . A 294 LEU HD22 . 30456 1 1090 . 1 1 305 305 LEU HD23 H 1 0.802 . . 1 . . . . A 294 LEU HD23 . 30456 1 1091 . 1 1 305 305 LEU CD1 C 13 23.687 . . 1 . . . . A 294 LEU CD1 . 30456 1 1092 . 1 1 305 305 LEU CD2 C 13 24.245 . . 1 . . . . A 294 LEU CD2 . 30456 1 1093 . 1 1 306 306 VAL H H 1 8.359 . . 1 . . . . A 295 VAL H . 30456 1 1094 . 1 1 306 306 VAL HG11 H 1 0.901 . . 1 . . . . A 295 VAL HG11 . 30456 1 1095 . 1 1 306 306 VAL HG12 H 1 0.901 . . 1 . . . . A 295 VAL HG12 . 30456 1 1096 . 1 1 306 306 VAL HG13 H 1 0.901 . . 1 . . . . A 295 VAL HG13 . 30456 1 1097 . 1 1 306 306 VAL HG21 H 1 0.964 . . 1 . . . . A 295 VAL HG21 . 30456 1 1098 . 1 1 306 306 VAL HG22 H 1 0.964 . . 1 . . . . A 295 VAL HG22 . 30456 1 1099 . 1 1 306 306 VAL HG23 H 1 0.964 . . 1 . . . . A 295 VAL HG23 . 30456 1 1100 . 1 1 306 306 VAL CG1 C 13 21.561 . . 1 . . . . A 295 VAL CG1 . 30456 1 1101 . 1 1 306 306 VAL CG2 C 13 23.289 . . 1 . . . . A 295 VAL CG2 . 30456 1 1102 . 1 1 306 306 VAL N N 15 119.441 . . 1 . . . . A 295 VAL N . 30456 1 1103 . 1 1 307 307 LYS H H 1 8.154 . . 1 . . . . A 296 LYS H . 30456 1 1104 . 1 1 307 307 LYS N N 15 118.913 . . 1 . . . . A 296 LYS N . 30456 1 1105 . 1 1 308 308 ALA H H 1 7.164 . . 1 . . . . A 297 ALA H . 30456 1 1106 . 1 1 308 308 ALA HB1 H 1 1.451 . . 1 . . . . A 297 ALA HB1 . 30456 1 1107 . 1 1 308 308 ALA HB2 H 1 1.451 . . 1 . . . . A 297 ALA HB2 . 30456 1 1108 . 1 1 308 308 ALA HB3 H 1 1.451 . . 1 . . . . A 297 ALA HB3 . 30456 1 1109 . 1 1 308 308 ALA CB C 13 20.391 . . 1 . . . . A 297 ALA CB . 30456 1 1110 . 1 1 308 308 ALA N N 15 117.073 . . 1 . . . . A 297 ALA N . 30456 1 1111 . 1 1 309 309 ASN H H 1 7.278 . . 1 . . . . A 298 ASN H . 30456 1 1112 . 1 1 309 309 ASN N N 15 118.347 . . 1 . . . . A 298 ASN N . 30456 1 1113 . 1 1 310 310 ASP H H 1 8.337 . . 1 . . . . A 299 ASP H . 30456 1 1114 . 1 1 310 310 ASP N N 15 123.103 . . 1 . . . . A 299 ASP N . 30456 1 1115 . 1 1 311 311 ILE H H 1 7.669 . . 1 . . . . A 300 ILE H . 30456 1 1116 . 1 1 311 311 ILE HD11 H 1 0.845 . . 1 . . . . A 300 ILE HD11 . 30456 1 1117 . 1 1 311 311 ILE HD12 H 1 0.845 . . 1 . . . . A 300 ILE HD12 . 30456 1 1118 . 1 1 311 311 ILE HD13 H 1 0.845 . . 1 . . . . A 300 ILE HD13 . 30456 1 1119 . 1 1 311 311 ILE CD1 C 13 14.587 . . 1 . . . . A 300 ILE CD1 . 30456 1 1120 . 1 1 311 311 ILE N N 15 120.210 . . 1 . . . . A 300 ILE N . 30456 1 1121 . 1 1 312 312 ASP H H 1 8.357 . . 1 . . . . A 301 ASP H . 30456 1 1122 . 1 1 312 312 ASP N N 15 124.296 . . 1 . . . . A 301 ASP N . 30456 1 1123 . 1 1 313 313 VAL H H 1 8.096 . . 1 . . . . A 302 VAL H . 30456 1 1124 . 1 1 313 313 VAL HG11 H 1 1.105 . . 1 . . . . A 302 VAL HG11 . 30456 1 1125 . 1 1 313 313 VAL HG12 H 1 1.105 . . 1 . . . . A 302 VAL HG12 . 30456 1 1126 . 1 1 313 313 VAL HG13 H 1 1.105 . . 1 . . . . A 302 VAL HG13 . 30456 1 1127 . 1 1 313 313 VAL HG21 H 1 0.869 . . 1 . . . . A 302 VAL HG21 . 30456 1 1128 . 1 1 313 313 VAL HG22 H 1 0.869 . . 1 . . . . A 302 VAL HG22 . 30456 1 1129 . 1 1 313 313 VAL HG23 H 1 0.869 . . 1 . . . . A 302 VAL HG23 . 30456 1 1130 . 1 1 313 313 VAL CG1 C 13 23.979 . . 1 . . . . A 302 VAL CG1 . 30456 1 1131 . 1 1 313 313 VAL CG2 C 13 21.017 . . 1 . . . . A 302 VAL CG2 . 30456 1 1132 . 1 1 313 313 VAL N N 15 122.114 . . 1 . . . . A 302 VAL N . 30456 1 1133 . 1 1 315 315 ALA H H 1 8.696 . . 1 . . . . A 304 ALA H . 30456 1 1134 . 1 1 315 315 ALA HB1 H 1 1.493 . . 1 . . . . A 304 ALA HB1 . 30456 1 1135 . 1 1 315 315 ALA HB2 H 1 1.493 . . 1 . . . . A 304 ALA HB2 . 30456 1 1136 . 1 1 315 315 ALA HB3 H 1 1.493 . . 1 . . . . A 304 ALA HB3 . 30456 1 1137 . 1 1 315 315 ALA CB C 13 17.948 . . 1 . . . . A 304 ALA CB . 30456 1 1138 . 1 1 315 315 ALA N N 15 129.161 . . 1 . . . . A 304 ALA N . 30456 1 1139 . 1 1 316 316 ALA H H 1 8.750 . . 1 . . . . A 305 ALA H . 30456 1 1140 . 1 1 316 316 ALA HB1 H 1 1.394 . . 1 . . . . A 305 ALA HB1 . 30456 1 1141 . 1 1 316 316 ALA HB2 H 1 1.394 . . 1 . . . . A 305 ALA HB2 . 30456 1 1142 . 1 1 316 316 ALA HB3 H 1 1.394 . . 1 . . . . A 305 ALA HB3 . 30456 1 1143 . 1 1 316 316 ALA CB C 13 18.923 . . 1 . . . . A 305 ALA CB . 30456 1 1144 . 1 1 316 316 ALA N N 15 117.669 . . 1 . . . . A 305 ALA N . 30456 1 1145 . 1 1 317 317 LEU H H 1 7.120 . . 1 . . . . A 306 LEU H . 30456 1 1146 . 1 1 317 317 LEU HD11 H 1 0.875 . . 1 . . . . A 306 LEU HD11 . 30456 1 1147 . 1 1 317 317 LEU HD12 H 1 0.875 . . 1 . . . . A 306 LEU HD12 . 30456 1 1148 . 1 1 317 317 LEU HD13 H 1 0.875 . . 1 . . . . A 306 LEU HD13 . 30456 1 1149 . 1 1 317 317 LEU HD21 H 1 0.921 . . 1 . . . . A 306 LEU HD21 . 30456 1 1150 . 1 1 317 317 LEU HD22 H 1 0.921 . . 1 . . . . A 306 LEU HD22 . 30456 1 1151 . 1 1 317 317 LEU HD23 H 1 0.921 . . 1 . . . . A 306 LEU HD23 . 30456 1 1152 . 1 1 317 317 LEU CD1 C 13 22.838 . . 1 . . . . A 306 LEU CD1 . 30456 1 1153 . 1 1 317 317 LEU CD2 C 13 24.763 . . 1 . . . . A 306 LEU CD2 . 30456 1 1154 . 1 1 317 317 LEU N N 15 115.184 . . 1 . . . . A 306 LEU N . 30456 1 1155 . 1 1 318 318 ILE H H 1 7.053 . . 1 . . . . A 307 ILE H . 30456 1 1156 . 1 1 318 318 ILE HD11 H 1 0.826 . . 1 . . . . A 307 ILE HD11 . 30456 1 1157 . 1 1 318 318 ILE HD12 H 1 0.826 . . 1 . . . . A 307 ILE HD12 . 30456 1 1158 . 1 1 318 318 ILE HD13 H 1 0.826 . . 1 . . . . A 307 ILE HD13 . 30456 1 1159 . 1 1 318 318 ILE CD1 C 13 13.142 . . 1 . . . . A 307 ILE CD1 . 30456 1 1160 . 1 1 318 318 ILE N N 15 121.342 . . 1 . . . . A 307 ILE N . 30456 1 1161 . 1 1 319 319 ASP H H 1 8.505 . . 1 . . . . A 308 ASP H . 30456 1 1162 . 1 1 319 319 ASP N N 15 120.638 . . 1 . . . . A 308 ASP N . 30456 1 1163 . 1 1 320 320 SER H H 1 7.638 . . 1 . . . . A 309 SER H . 30456 1 1164 . 1 1 320 320 SER N N 15 114.746 . . 1 . . . . A 309 SER N . 30456 1 1165 . 1 1 321 321 GLU H H 1 7.599 . . 1 . . . . A 310 GLU H . 30456 1 1166 . 1 1 321 321 GLU N N 15 124.013 . . 1 . . . . A 310 GLU N . 30456 1 1167 . 1 1 322 322 ILE H H 1 8.674 . . 1 . . . . A 311 ILE H . 30456 1 1168 . 1 1 322 322 ILE HD11 H 1 0.885 . . 1 . . . . A 311 ILE HD11 . 30456 1 1169 . 1 1 322 322 ILE HD12 H 1 0.885 . . 1 . . . . A 311 ILE HD12 . 30456 1 1170 . 1 1 322 322 ILE HD13 H 1 0.885 . . 1 . . . . A 311 ILE HD13 . 30456 1 1171 . 1 1 322 322 ILE CD1 C 13 14.124 . . 1 . . . . A 311 ILE CD1 . 30456 1 1172 . 1 1 322 322 ILE N N 15 121.348 . . 1 . . . . A 311 ILE N . 30456 1 1173 . 1 1 323 323 ASP H H 1 7.305 . . 1 . . . . A 312 ASP H . 30456 1 1174 . 1 1 323 323 ASP N N 15 119.127 . . 1 . . . . A 312 ASP N . 30456 1 1175 . 1 1 324 324 VAL H H 1 7.370 . . 1 . . . . A 313 VAL H . 30456 1 1176 . 1 1 324 324 VAL HG11 H 1 1.040 . . 1 . . . . A 313 VAL HG11 . 30456 1 1177 . 1 1 324 324 VAL HG12 H 1 1.040 . . 1 . . . . A 313 VAL HG12 . 30456 1 1178 . 1 1 324 324 VAL HG13 H 1 1.040 . . 1 . . . . A 313 VAL HG13 . 30456 1 1179 . 1 1 324 324 VAL HG21 H 1 0.833 . . 1 . . . . A 313 VAL HG21 . 30456 1 1180 . 1 1 324 324 VAL HG22 H 1 0.833 . . 1 . . . . A 313 VAL HG22 . 30456 1 1181 . 1 1 324 324 VAL HG23 H 1 0.833 . . 1 . . . . A 313 VAL HG23 . 30456 1 1182 . 1 1 324 324 VAL CG1 C 13 22.186 . . 1 . . . . A 313 VAL CG1 . 30456 1 1183 . 1 1 324 324 VAL CG2 C 13 20.664 . . 1 . . . . A 313 VAL CG2 . 30456 1 1184 . 1 1 324 324 VAL N N 15 121.249 . . 1 . . . . A 313 VAL N . 30456 1 1185 . 1 1 325 325 LEU H H 1 8.030 . . 1 . . . . A 314 LEU H . 30456 1 1186 . 1 1 325 325 LEU HD11 H 1 0.844 . . 1 . . . . A 314 LEU HD11 . 30456 1 1187 . 1 1 325 325 LEU HD12 H 1 0.844 . . 1 . . . . A 314 LEU HD12 . 30456 1 1188 . 1 1 325 325 LEU HD13 H 1 0.844 . . 1 . . . . A 314 LEU HD13 . 30456 1 1189 . 1 1 325 325 LEU HD21 H 1 0.954 . . 1 . . . . A 314 LEU HD21 . 30456 1 1190 . 1 1 325 325 LEU HD22 H 1 0.954 . . 1 . . . . A 314 LEU HD22 . 30456 1 1191 . 1 1 325 325 LEU HD23 H 1 0.954 . . 1 . . . . A 314 LEU HD23 . 30456 1 1192 . 1 1 325 325 LEU CD1 C 13 21.911 . . 1 . . . . A 314 LEU CD1 . 30456 1 1193 . 1 1 325 325 LEU CD2 C 13 26.417 . . 1 . . . . A 314 LEU CD2 . 30456 1 1194 . 1 1 325 325 LEU N N 15 125.146 . . 1 . . . . A 314 LEU N . 30456 1 1195 . 1 1 326 326 ARG H H 1 8.628 . . 1 . . . . A 315 ARG H . 30456 1 1196 . 1 1 326 326 ARG N N 15 121.834 . . 1 . . . . A 315 ARG N . 30456 1 1197 . 1 1 329 329 ALA H H 1 7.945 . . 1 . . . . A 318 ALA H . 30456 1 1198 . 1 1 329 329 ALA HB1 H 1 1.628 . . 1 . . . . A 318 ALA HB1 . 30456 1 1199 . 1 1 329 329 ALA HB2 H 1 1.628 . . 1 . . . . A 318 ALA HB2 . 30456 1 1200 . 1 1 329 329 ALA HB3 H 1 1.628 . . 1 . . . . A 318 ALA HB3 . 30456 1 1201 . 1 1 329 329 ALA CB C 13 18.155 . . 1 . . . . A 318 ALA CB . 30456 1 1202 . 1 1 329 329 ALA N N 15 122.905 . . 1 . . . . A 318 ALA N . 30456 1 1203 . 1 1 330 330 ALA H H 1 8.032 . . 1 . . . . A 319 ALA H . 30456 1 1204 . 1 1 330 330 ALA HB1 H 1 1.315 . . 1 . . . . A 319 ALA HB1 . 30456 1 1205 . 1 1 330 330 ALA HB2 H 1 1.315 . . 1 . . . . A 319 ALA HB2 . 30456 1 1206 . 1 1 330 330 ALA HB3 H 1 1.315 . . 1 . . . . A 319 ALA HB3 . 30456 1 1207 . 1 1 330 330 ALA CB C 13 18.060 . . 1 . . . . A 319 ALA CB . 30456 1 1208 . 1 1 330 330 ALA N N 15 120.049 . . 1 . . . . A 319 ALA N . 30456 1 1209 . 1 1 331 331 GLN H H 1 7.684 . . 1 . . . . A 320 GLN H . 30456 1 1210 . 1 1 331 331 GLN N N 15 117.280 . . 1 . . . . A 320 GLN N . 30456 1 1211 . 1 1 332 332 ARG H H 1 7.560 . . 1 . . . . A 321 ARG H . 30456 1 1212 . 1 1 332 332 ARG N N 15 119.110 . . 1 . . . . A 321 ARG N . 30456 1 1213 . 1 1 333 333 PHE H H 1 7.606 . . 1 . . . . A 322 PHE H . 30456 1 1214 . 1 1 333 333 PHE N N 15 116.775 . . 1 . . . . A 322 PHE N . 30456 1 1215 . 1 1 334 334 GLY H H 1 7.868 . . 1 . . . . A 323 GLY H . 30456 1 1216 . 1 1 334 334 GLY N N 15 110.278 . . 1 . . . . A 323 GLY N . 30456 1 1217 . 1 1 335 335 GLY H H 1 8.099 . . 1 . . . . A 324 GLY H . 30456 1 1218 . 1 1 335 335 GLY N N 15 108.482 . . 1 . . . . A 324 GLY N . 30456 1 1219 . 1 1 336 336 ASN H H 1 8.149 . . 1 . . . . A 325 ASN H . 30456 1 1220 . 1 1 336 336 ASN N N 15 119.470 . . 1 . . . . A 325 ASN N . 30456 1 1221 . 1 1 337 337 GLU H H 1 8.603 . . 1 . . . . A 326 GLU H . 30456 1 1222 . 1 1 337 337 GLU N N 15 122.320 . . 1 . . . . A 326 GLU N . 30456 1 1223 . 1 1 338 338 LYS H H 1 8.011 . . 1 . . . . A 327 LYS H . 30456 1 1224 . 1 1 338 338 LYS N N 15 120.045 . . 1 . . . . A 327 LYS N . 30456 1 1225 . 1 1 339 339 GLN H H 1 7.883 . . 1 . . . . A 328 GLN H . 30456 1 1226 . 1 1 339 339 GLN N N 15 118.493 . . 1 . . . . A 328 GLN N . 30456 1 1227 . 1 1 340 340 ALA H H 1 7.956 . . 1 . . . . A 329 ALA H . 30456 1 1228 . 1 1 340 340 ALA HB1 H 1 1.363 . . 1 . . . . A 329 ALA HB1 . 30456 1 1229 . 1 1 340 340 ALA HB2 H 1 1.363 . . 1 . . . . A 329 ALA HB2 . 30456 1 1230 . 1 1 340 340 ALA HB3 H 1 1.363 . . 1 . . . . A 329 ALA HB3 . 30456 1 1231 . 1 1 340 340 ALA CB C 13 18.599 . . 1 . . . . A 329 ALA CB . 30456 1 1232 . 1 1 340 340 ALA N N 15 122.738 . . 1 . . . . A 329 ALA N . 30456 1 1233 . 1 1 341 341 LEU H H 1 7.709 . . 1 . . . . A 330 LEU H . 30456 1 1234 . 1 1 341 341 LEU HD11 H 1 0.858 . . 1 . . . . A 330 LEU HD11 . 30456 1 1235 . 1 1 341 341 LEU HD12 H 1 0.858 . . 1 . . . . A 330 LEU HD12 . 30456 1 1236 . 1 1 341 341 LEU HD13 H 1 0.858 . . 1 . . . . A 330 LEU HD13 . 30456 1 1237 . 1 1 341 341 LEU HD21 H 1 0.782 . . 1 . . . . A 330 LEU HD21 . 30456 1 1238 . 1 1 341 341 LEU HD22 H 1 0.782 . . 1 . . . . A 330 LEU HD22 . 30456 1 1239 . 1 1 341 341 LEU HD23 H 1 0.782 . . 1 . . . . A 330 LEU HD23 . 30456 1 1240 . 1 1 341 341 LEU CD1 C 13 24.860 . . 1 . . . . A 330 LEU CD1 . 30456 1 1241 . 1 1 341 341 LEU CD2 C 13 22.825 . . 1 . . . . A 330 LEU CD2 . 30456 1 1242 . 1 1 341 341 LEU N N 15 116.845 . . 1 . . . . A 330 LEU N . 30456 1 1243 . 1 1 342 342 GLU H H 1 7.526 . . 1 . . . . A 331 GLU H . 30456 1 1244 . 1 1 342 342 GLU N N 15 117.396 . . 1 . . . . A 331 GLU N . 30456 1 1245 . 1 1 343 343 LEU HD11 H 1 1.062 . . 1 . . . . A 332 LEU HD11 . 30456 1 1246 . 1 1 343 343 LEU HD12 H 1 1.062 . . 1 . . . . A 332 LEU HD12 . 30456 1 1247 . 1 1 343 343 LEU HD13 H 1 1.062 . . 1 . . . . A 332 LEU HD13 . 30456 1 1248 . 1 1 343 343 LEU HD21 H 1 0.943 . . 1 . . . . A 332 LEU HD21 . 30456 1 1249 . 1 1 343 343 LEU HD22 H 1 0.943 . . 1 . . . . A 332 LEU HD22 . 30456 1 1250 . 1 1 343 343 LEU HD23 H 1 0.943 . . 1 . . . . A 332 LEU HD23 . 30456 1 1251 . 1 1 343 343 LEU CD1 C 13 26.296 . . 1 . . . . A 332 LEU CD1 . 30456 1 1252 . 1 1 343 343 LEU CD2 C 13 22.695 . . 1 . . . . A 332 LEU CD2 . 30456 1 1253 . 1 1 345 345 ARG H H 1 8.688 . . 1 . . . . A 334 ARG H . 30456 1 1254 . 1 1 345 345 ARG N N 15 123.196 . . 1 . . . . A 334 ARG N . 30456 1 1255 . 1 1 347 347 LEU H H 1 7.432 . . 1 . . . . A 336 LEU H . 30456 1 1256 . 1 1 347 347 LEU HD11 H 1 0.682 . . 1 . . . . A 336 LEU HD11 . 30456 1 1257 . 1 1 347 347 LEU HD12 H 1 0.682 . . 1 . . . . A 336 LEU HD12 . 30456 1 1258 . 1 1 347 347 LEU HD13 H 1 0.682 . . 1 . . . . A 336 LEU HD13 . 30456 1 1259 . 1 1 347 347 LEU HD21 H 1 0.784 . . 1 . . . . A 336 LEU HD21 . 30456 1 1260 . 1 1 347 347 LEU HD22 H 1 0.784 . . 1 . . . . A 336 LEU HD22 . 30456 1 1261 . 1 1 347 347 LEU HD23 H 1 0.784 . . 1 . . . . A 336 LEU HD23 . 30456 1 1262 . 1 1 347 347 LEU CD1 C 13 22.658 . . 1 . . . . A 336 LEU CD1 . 30456 1 1263 . 1 1 347 347 LEU CD2 C 13 25.131 . . 1 . . . . A 336 LEU CD2 . 30456 1 1264 . 1 1 347 347 LEU N N 15 119.236 . . 1 . . . . A 336 LEU N . 30456 1 1265 . 1 1 348 348 PHE H H 1 7.594 . . 1 . . . . A 337 PHE H . 30456 1 1266 . 1 1 348 348 PHE N N 15 114.290 . . 1 . . . . A 337 PHE N . 30456 1 1267 . 1 1 349 349 GLU H H 1 7.306 . . 1 . . . . A 338 GLU H . 30456 1 1268 . 1 1 349 349 GLU N N 15 120.076 . . 1 . . . . A 338 GLU N . 30456 1 1269 . 1 1 350 350 GLU H H 1 8.638 . . 1 . . . . A 339 GLU H . 30456 1 1270 . 1 1 350 350 GLU N N 15 120.258 . . 1 . . . . A 339 GLU N . 30456 1 1271 . 1 1 351 351 GLN H H 1 8.570 . . 1 . . . . A 340 GLN H . 30456 1 1272 . 1 1 351 351 GLN N N 15 121.157 . . 1 . . . . A 340 GLN N . 30456 1 1273 . 1 1 352 352 ALA H H 1 8.673 . . 1 . . . . A 341 ALA H . 30456 1 1274 . 1 1 352 352 ALA HB1 H 1 1.492 . . 1 . . . . A 341 ALA HB1 . 30456 1 1275 . 1 1 352 352 ALA HB2 H 1 1.492 . . 1 . . . . A 341 ALA HB2 . 30456 1 1276 . 1 1 352 352 ALA HB3 H 1 1.492 . . 1 . . . . A 341 ALA HB3 . 30456 1 1277 . 1 1 352 352 ALA CB C 13 20.574 . . 1 . . . . A 341 ALA CB . 30456 1 1278 . 1 1 352 352 ALA N N 15 122.641 . . 1 . . . . A 341 ALA N . 30456 1 1279 . 1 1 353 353 LYS H H 1 8.209 . . 1 . . . . A 342 LYS H . 30456 1 1280 . 1 1 353 353 LYS N N 15 117.637 . . 1 . . . . A 342 LYS N . 30456 1 1281 . 1 1 354 354 ARG H H 1 7.638 . . 1 . . . . A 343 ARG H . 30456 1 1282 . 1 1 354 354 ARG N N 15 117.913 . . 1 . . . . A 343 ARG N . 30456 1 1283 . 1 1 355 355 ARG H H 1 7.867 . . 1 . . . . A 344 ARG H . 30456 1 1284 . 1 1 355 355 ARG N N 15 117.745 . . 1 . . . . A 344 ARG N . 30456 1 1285 . 1 1 356 356 VAL HG11 H 1 0.950 . . 1 . . . . A 345 VAL HG11 . 30456 1 1286 . 1 1 356 356 VAL HG12 H 1 0.950 . . 1 . . . . A 345 VAL HG12 . 30456 1 1287 . 1 1 356 356 VAL HG13 H 1 0.950 . . 1 . . . . A 345 VAL HG13 . 30456 1 1288 . 1 1 356 356 VAL HG21 H 1 0.860 . . 1 . . . . A 345 VAL HG21 . 30456 1 1289 . 1 1 356 356 VAL HG22 H 1 0.860 . . 1 . . . . A 345 VAL HG22 . 30456 1 1290 . 1 1 356 356 VAL HG23 H 1 0.860 . . 1 . . . . A 345 VAL HG23 . 30456 1 1291 . 1 1 356 356 VAL CG1 C 13 22.771 . . 1 . . . . A 345 VAL CG1 . 30456 1 1292 . 1 1 356 356 VAL CG2 C 13 23.399 . . 1 . . . . A 345 VAL CG2 . 30456 1 1293 . 1 1 357 357 VAL H H 1 8.555 . . 1 . . . . A 346 VAL H . 30456 1 1294 . 1 1 357 357 VAL HG11 H 1 1.069 . . 1 . . . . A 346 VAL HG11 . 30456 1 1295 . 1 1 357 357 VAL HG12 H 1 1.069 . . 1 . . . . A 346 VAL HG12 . 30456 1 1296 . 1 1 357 357 VAL HG13 H 1 1.069 . . 1 . . . . A 346 VAL HG13 . 30456 1 1297 . 1 1 357 357 VAL HG21 H 1 1.105 . . 1 . . . . A 346 VAL HG21 . 30456 1 1298 . 1 1 357 357 VAL HG22 H 1 1.105 . . 1 . . . . A 346 VAL HG22 . 30456 1 1299 . 1 1 357 357 VAL HG23 H 1 1.105 . . 1 . . . . A 346 VAL HG23 . 30456 1 1300 . 1 1 357 357 VAL CG1 C 13 21.603 . . 1 . . . . A 346 VAL CG1 . 30456 1 1301 . 1 1 357 357 VAL CG2 C 13 24.021 . . 1 . . . . A 346 VAL CG2 . 30456 1 1302 . 1 1 357 357 VAL N N 15 121.262 . . 1 . . . . A 346 VAL N . 30456 1 1303 . 1 1 358 358 VAL H H 1 8.430 . . 1 . . . . A 347 VAL H . 30456 1 1304 . 1 1 358 358 VAL HG11 H 1 0.807 . . 1 . . . . A 347 VAL HG11 . 30456 1 1305 . 1 1 358 358 VAL HG12 H 1 0.807 . . 1 . . . . A 347 VAL HG12 . 30456 1 1306 . 1 1 358 358 VAL HG13 H 1 0.807 . . 1 . . . . A 347 VAL HG13 . 30456 1 1307 . 1 1 358 358 VAL HG21 H 1 0.882 . . 1 . . . . A 347 VAL HG21 . 30456 1 1308 . 1 1 358 358 VAL HG22 H 1 0.882 . . 1 . . . . A 347 VAL HG22 . 30456 1 1309 . 1 1 358 358 VAL HG23 H 1 0.882 . . 1 . . . . A 347 VAL HG23 . 30456 1 1310 . 1 1 358 358 VAL CG1 C 13 25.882 . . 1 . . . . A 347 VAL CG1 . 30456 1 1311 . 1 1 358 358 VAL CG2 C 13 21.398 . . 1 . . . . A 347 VAL CG2 . 30456 1 1312 . 1 1 358 358 VAL N N 15 120.199 . . 1 . . . . A 347 VAL N . 30456 1 1313 . 1 1 360 360 LEU H H 1 8.197 . . 1 . . . . A 349 LEU H . 30456 1 1314 . 1 1 360 360 LEU HD11 H 1 0.899 . . 1 . . . . A 349 LEU HD11 . 30456 1 1315 . 1 1 360 360 LEU HD12 H 1 0.899 . . 1 . . . . A 349 LEU HD12 . 30456 1 1316 . 1 1 360 360 LEU HD13 H 1 0.899 . . 1 . . . . A 349 LEU HD13 . 30456 1 1317 . 1 1 360 360 LEU HD21 H 1 0.858 . . 1 . . . . A 349 LEU HD21 . 30456 1 1318 . 1 1 360 360 LEU HD22 H 1 0.858 . . 1 . . . . A 349 LEU HD22 . 30456 1 1319 . 1 1 360 360 LEU HD23 H 1 0.858 . . 1 . . . . A 349 LEU HD23 . 30456 1 1320 . 1 1 360 360 LEU CD1 C 13 26.388 . . 1 . . . . A 349 LEU CD1 . 30456 1 1321 . 1 1 360 360 LEU CD2 C 13 22.893 . . 1 . . . . A 349 LEU CD2 . 30456 1 1322 . 1 1 360 360 LEU N N 15 123.356 . . 1 . . . . A 349 LEU N . 30456 1 1323 . 1 1 361 361 LEU H H 1 8.572 . . 1 . . . . A 350 LEU H . 30456 1 1324 . 1 1 361 361 LEU HD11 H 1 0.906 . . 1 . . . . A 350 LEU HD11 . 30456 1 1325 . 1 1 361 361 LEU HD12 H 1 0.906 . . 1 . . . . A 350 LEU HD12 . 30456 1 1326 . 1 1 361 361 LEU HD13 H 1 0.906 . . 1 . . . . A 350 LEU HD13 . 30456 1 1327 . 1 1 361 361 LEU HD21 H 1 0.779 . . 1 . . . . A 350 LEU HD21 . 30456 1 1328 . 1 1 361 361 LEU HD22 H 1 0.779 . . 1 . . . . A 350 LEU HD22 . 30456 1 1329 . 1 1 361 361 LEU HD23 H 1 0.779 . . 1 . . . . A 350 LEU HD23 . 30456 1 1330 . 1 1 361 361 LEU CD1 C 13 27.537 . . 1 . . . . A 350 LEU CD1 . 30456 1 1331 . 1 1 361 361 LEU CD2 C 13 22.460 . . 1 . . . . A 350 LEU CD2 . 30456 1 1332 . 1 1 361 361 LEU N N 15 120.613 . . 1 . . . . A 350 LEU N . 30456 1 1333 . 1 1 362 362 LEU HD11 H 1 1.051 . . 1 . . . . A 351 LEU HD11 . 30456 1 1334 . 1 1 362 362 LEU HD12 H 1 1.051 . . 1 . . . . A 351 LEU HD12 . 30456 1 1335 . 1 1 362 362 LEU HD13 H 1 1.051 . . 1 . . . . A 351 LEU HD13 . 30456 1 1336 . 1 1 362 362 LEU HD21 H 1 0.627 . . 1 . . . . A 351 LEU HD21 . 30456 1 1337 . 1 1 362 362 LEU HD22 H 1 0.627 . . 1 . . . . A 351 LEU HD22 . 30456 1 1338 . 1 1 362 362 LEU HD23 H 1 0.627 . . 1 . . . . A 351 LEU HD23 . 30456 1 1339 . 1 1 362 362 LEU CD1 C 13 23.756 . . 1 . . . . A 351 LEU CD1 . 30456 1 1340 . 1 1 362 362 LEU CD2 C 13 21.266 . . 1 . . . . A 351 LEU CD2 . 30456 1 1341 . 1 1 363 363 GLY H H 1 8.043 . . 1 . . . . A 352 GLY H . 30456 1 1342 . 1 1 363 363 GLY N N 15 107.350 . . 1 . . . . A 352 GLY N . 30456 1 1343 . 1 1 364 364 GLU H H 1 7.725 . . 1 . . . . A 353 GLU H . 30456 1 1344 . 1 1 364 364 GLU N N 15 123.790 . . 1 . . . . A 353 GLU N . 30456 1 1345 . 1 1 365 365 VAL H H 1 8.078 . . 1 . . . . A 354 VAL H . 30456 1 1346 . 1 1 365 365 VAL HG11 H 1 0.838 . . 1 . . . . A 354 VAL HG11 . 30456 1 1347 . 1 1 365 365 VAL HG12 H 1 0.838 . . 1 . . . . A 354 VAL HG12 . 30456 1 1348 . 1 1 365 365 VAL HG13 H 1 0.838 . . 1 . . . . A 354 VAL HG13 . 30456 1 1349 . 1 1 365 365 VAL HG21 H 1 0.923 . . 1 . . . . A 354 VAL HG21 . 30456 1 1350 . 1 1 365 365 VAL HG22 H 1 0.923 . . 1 . . . . A 354 VAL HG22 . 30456 1 1351 . 1 1 365 365 VAL HG23 H 1 0.923 . . 1 . . . . A 354 VAL HG23 . 30456 1 1352 . 1 1 365 365 VAL CG1 C 13 21.517 . . 1 . . . . A 354 VAL CG1 . 30456 1 1353 . 1 1 365 365 VAL CG2 C 13 21.835 . . 1 . . . . A 354 VAL CG2 . 30456 1 1354 . 1 1 365 365 VAL N N 15 125.315 . . 1 . . . . A 354 VAL N . 30456 1 1355 . 1 1 366 366 ILE H H 1 8.417 . . 1 . . . . A 355 ILE H . 30456 1 1356 . 1 1 366 366 ILE HD11 H 1 0.761 . . 1 . . . . A 355 ILE HD11 . 30456 1 1357 . 1 1 366 366 ILE HD12 H 1 0.761 . . 1 . . . . A 355 ILE HD12 . 30456 1 1358 . 1 1 366 366 ILE HD13 H 1 0.761 . . 1 . . . . A 355 ILE HD13 . 30456 1 1359 . 1 1 366 366 ILE CD1 C 13 13.526 . . 1 . . . . A 355 ILE CD1 . 30456 1 1360 . 1 1 366 366 ILE N N 15 121.768 . . 1 . . . . A 355 ILE N . 30456 1 1361 . 1 1 367 367 ARG H H 1 8.042 . . 1 . . . . A 356 ARG H . 30456 1 1362 . 1 1 367 367 ARG N N 15 119.339 . . 1 . . . . A 356 ARG N . 30456 1 1363 . 1 1 370 370 GLU H H 1 7.661 . . 1 . . . . A 359 GLU H . 30456 1 1364 . 1 1 370 370 GLU N N 15 118.847 . . 1 . . . . A 359 GLU N . 30456 1 1365 . 1 1 371 371 LEU HD11 H 1 0.684 . . 1 . . . . A 360 LEU HD11 . 30456 1 1366 . 1 1 371 371 LEU HD12 H 1 0.684 . . 1 . . . . A 360 LEU HD12 . 30456 1 1367 . 1 1 371 371 LEU HD13 H 1 0.684 . . 1 . . . . A 360 LEU HD13 . 30456 1 1368 . 1 1 371 371 LEU HD21 H 1 0.801 . . 1 . . . . A 360 LEU HD21 . 30456 1 1369 . 1 1 371 371 LEU HD22 H 1 0.801 . . 1 . . . . A 360 LEU HD22 . 30456 1 1370 . 1 1 371 371 LEU HD23 H 1 0.801 . . 1 . . . . A 360 LEU HD23 . 30456 1 1371 . 1 1 371 371 LEU CD1 C 13 25.033 . . 1 . . . . A 360 LEU CD1 . 30456 1 1372 . 1 1 371 371 LEU CD2 C 13 22.263 . . 1 . . . . A 360 LEU CD2 . 30456 1 1373 . 1 1 372 372 LYS H H 1 8.285 . . 1 . . . . A 361 LYS H . 30456 1 1374 . 1 1 372 372 LYS N N 15 121.022 . . 1 . . . . A 361 LYS N . 30456 1 1375 . 1 1 373 373 ALA H H 1 8.902 . . 1 . . . . A 362 ALA H . 30456 1 1376 . 1 1 373 373 ALA HB1 H 1 1.269 . . 1 . . . . A 362 ALA HB1 . 30456 1 1377 . 1 1 373 373 ALA HB2 H 1 1.269 . . 1 . . . . A 362 ALA HB2 . 30456 1 1378 . 1 1 373 373 ALA HB3 H 1 1.269 . . 1 . . . . A 362 ALA HB3 . 30456 1 1379 . 1 1 373 373 ALA CB C 13 18.201 . . 1 . . . . A 362 ALA CB . 30456 1 1380 . 1 1 373 373 ALA N N 15 126.548 . . 1 . . . . A 362 ALA N . 30456 1 1381 . 1 1 374 374 ASP H H 1 8.873 . . 1 . . . . A 363 ASP H . 30456 1 1382 . 1 1 374 374 ASP N N 15 125.300 . . 1 . . . . A 363 ASP N . 30456 1 1383 . 1 1 375 375 GLU H H 1 8.992 . . 1 . . . . A 364 GLU H . 30456 1 1384 . 1 1 375 375 GLU N N 15 127.590 . . 1 . . . . A 364 GLU N . 30456 1 1385 . 1 1 378 378 VAL H H 1 7.962 . . 1 . . . . A 367 VAL H . 30456 1 1386 . 1 1 378 378 VAL HG11 H 1 0.910 . . 1 . . . . A 367 VAL HG11 . 30456 1 1387 . 1 1 378 378 VAL HG12 H 1 0.910 . . 1 . . . . A 367 VAL HG12 . 30456 1 1388 . 1 1 378 378 VAL HG13 H 1 0.910 . . 1 . . . . A 367 VAL HG13 . 30456 1 1389 . 1 1 378 378 VAL HG21 H 1 0.823 . . 1 . . . . A 367 VAL HG21 . 30456 1 1390 . 1 1 378 378 VAL HG22 H 1 0.823 . . 1 . . . . A 367 VAL HG22 . 30456 1 1391 . 1 1 378 378 VAL HG23 H 1 0.823 . . 1 . . . . A 367 VAL HG23 . 30456 1 1392 . 1 1 378 378 VAL CG1 C 13 23.750 . . 1 . . . . A 367 VAL CG1 . 30456 1 1393 . 1 1 378 378 VAL CG2 C 13 21.453 . . 1 . . . . A 367 VAL CG2 . 30456 1 1394 . 1 1 378 378 VAL N N 15 120.788 . . 1 . . . . A 367 VAL N . 30456 1 1395 . 1 1 379 379 LYS H H 1 7.683 . . 1 . . . . A 368 LYS H . 30456 1 1396 . 1 1 379 379 LYS N N 15 118.686 . . 1 . . . . A 368 LYS N . 30456 1 1397 . 1 1 380 380 GLY H H 1 7.896 . . 1 . . . . A 369 GLY H . 30456 1 1398 . 1 1 380 380 GLY N N 15 106.958 . . 1 . . . . A 369 GLY N . 30456 1 1399 . 1 1 381 381 LEU H H 1 8.216 . . 1 . . . . A 370 LEU H . 30456 1 1400 . 1 1 381 381 LEU HD11 H 1 0.832 . . 1 . . . . A 370 LEU HD11 . 30456 1 1401 . 1 1 381 381 LEU HD12 H 1 0.832 . . 1 . . . . A 370 LEU HD12 . 30456 1 1402 . 1 1 381 381 LEU HD13 H 1 0.832 . . 1 . . . . A 370 LEU HD13 . 30456 1 1403 . 1 1 381 381 LEU HD21 H 1 0.872 . . 1 . . . . A 370 LEU HD21 . 30456 1 1404 . 1 1 381 381 LEU HD22 H 1 0.872 . . 1 . . . . A 370 LEU HD22 . 30456 1 1405 . 1 1 381 381 LEU HD23 H 1 0.872 . . 1 . . . . A 370 LEU HD23 . 30456 1 1406 . 1 1 381 381 LEU CD1 C 13 25.813 . . 1 . . . . A 370 LEU CD1 . 30456 1 1407 . 1 1 381 381 LEU CD2 C 13 22.987 . . 1 . . . . A 370 LEU CD2 . 30456 1 1408 . 1 1 381 381 LEU N N 15 124.689 . . 1 . . . . A 370 LEU N . 30456 1 1409 . 1 1 382 382 ILE H H 1 7.955 . . 1 . . . . A 371 ILE H . 30456 1 1410 . 1 1 382 382 ILE HD11 H 1 0.787 . . 1 . . . . A 371 ILE HD11 . 30456 1 1411 . 1 1 382 382 ILE HD12 H 1 0.787 . . 1 . . . . A 371 ILE HD12 . 30456 1 1412 . 1 1 382 382 ILE HD13 H 1 0.787 . . 1 . . . . A 371 ILE HD13 . 30456 1 1413 . 1 1 382 382 ILE CD1 C 13 13.857 . . 1 . . . . A 371 ILE CD1 . 30456 1 1414 . 1 1 382 382 ILE N N 15 121.585 . . 1 . . . . A 371 ILE N . 30456 1 1415 . 1 1 383 383 GLU H H 1 8.224 . . 1 . . . . A 372 GLU H . 30456 1 1416 . 1 1 383 383 GLU N N 15 120.348 . . 1 . . . . A 372 GLU N . 30456 1 1417 . 1 1 384 384 GLU H H 1 8.054 . . 1 . . . . A 373 GLU H . 30456 1 1418 . 1 1 384 384 GLU N N 15 119.749 . . 1 . . . . A 373 GLU N . 30456 1 1419 . 1 1 385 385 MET H H 1 7.832 . . 1 . . . . A 374 MET H . 30456 1 1420 . 1 1 385 385 MET HE1 H 1 1.652 . . 1 . . . . A 374 MET HE1 . 30456 1 1421 . 1 1 385 385 MET HE2 H 1 1.652 . . 1 . . . . A 374 MET HE2 . 30456 1 1422 . 1 1 385 385 MET HE3 H 1 1.652 . . 1 . . . . A 374 MET HE3 . 30456 1 1423 . 1 1 385 385 MET CE C 13 16.353 . . 1 . . . . A 374 MET CE . 30456 1 1424 . 1 1 385 385 MET N N 15 121.849 . . 1 . . . . A 374 MET N . 30456 1 1425 . 1 1 386 386 ALA H H 1 8.408 . . 1 . . . . A 375 ALA H . 30456 1 1426 . 1 1 386 386 ALA HB1 H 1 1.516 . . 1 . . . . A 375 ALA HB1 . 30456 1 1427 . 1 1 386 386 ALA HB2 H 1 1.516 . . 1 . . . . A 375 ALA HB2 . 30456 1 1428 . 1 1 386 386 ALA HB3 H 1 1.516 . . 1 . . . . A 375 ALA HB3 . 30456 1 1429 . 1 1 386 386 ALA CB C 13 19.362 . . 1 . . . . A 375 ALA CB . 30456 1 1430 . 1 1 386 386 ALA N N 15 121.089 . . 1 . . . . A 375 ALA N . 30456 1 1431 . 1 1 388 388 ALA H H 1 7.305 . . 1 . . . . A 377 ALA H . 30456 1 1432 . 1 1 388 388 ALA HB1 H 1 1.224 . . 1 . . . . A 377 ALA HB1 . 30456 1 1433 . 1 1 388 388 ALA HB2 H 1 1.224 . . 1 . . . . A 377 ALA HB2 . 30456 1 1434 . 1 1 388 388 ALA HB3 H 1 1.224 . . 1 . . . . A 377 ALA HB3 . 30456 1 1435 . 1 1 388 388 ALA CB C 13 19.299 . . 1 . . . . A 377 ALA CB . 30456 1 1436 . 1 1 388 388 ALA N N 15 122.940 . . 1 . . . . A 377 ALA N . 30456 1 1437 . 1 1 389 389 TYR H H 1 7.781 . . 1 . . . . A 378 TYR H . 30456 1 1438 . 1 1 389 389 TYR HD1 H 1 7.256 . . 1 . . . . A 378 TYR HD1 . 30456 1 1439 . 1 1 389 389 TYR HD2 H 1 7.256 . . 1 . . . . A 378 TYR HD2 . 30456 1 1440 . 1 1 389 389 TYR HE1 H 1 6.815 . . 1 . . . . A 378 TYR HE1 . 30456 1 1441 . 1 1 389 389 TYR HE2 H 1 6.815 . . 1 . . . . A 378 TYR HE2 . 30456 1 1442 . 1 1 389 389 TYR CD1 C 13 133.567 . . 1 . . . . A 378 TYR CD1 . 30456 1 1443 . 1 1 389 389 TYR CD2 C 13 133.567 . . 1 . . . . A 378 TYR CD2 . 30456 1 1444 . 1 1 389 389 TYR CE1 C 13 118.073 . . 1 . . . . A 378 TYR CE1 . 30456 1 1445 . 1 1 389 389 TYR CE2 C 13 118.073 . . 1 . . . . A 378 TYR CE2 . 30456 1 1446 . 1 1 389 389 TYR N N 15 118.892 . . 1 . . . . A 378 TYR N . 30456 1 1447 . 1 1 391 391 ASP H H 1 8.121 . . 1 . . . . A 380 ASP H . 30456 1 1448 . 1 1 391 391 ASP N N 15 116.726 . . 1 . . . . A 380 ASP N . 30456 1 1449 . 1 1 394 394 GLU H H 1 7.455 . . 1 . . . . A 383 GLU H . 30456 1 1450 . 1 1 394 394 GLU N N 15 119.761 . . 1 . . . . A 383 GLU N . 30456 1 1451 . 1 1 395 395 VAL H H 1 7.209 . . 1 . . . . A 384 VAL H . 30456 1 1452 . 1 1 395 395 VAL HG11 H 1 0.658 . . 1 . . . . A 384 VAL HG11 . 30456 1 1453 . 1 1 395 395 VAL HG12 H 1 0.658 . . 1 . . . . A 384 VAL HG12 . 30456 1 1454 . 1 1 395 395 VAL HG13 H 1 0.658 . . 1 . . . . A 384 VAL HG13 . 30456 1 1455 . 1 1 395 395 VAL HG21 H 1 0.596 . . 1 . . . . A 384 VAL HG21 . 30456 1 1456 . 1 1 395 395 VAL HG22 H 1 0.596 . . 1 . . . . A 384 VAL HG22 . 30456 1 1457 . 1 1 395 395 VAL HG23 H 1 0.596 . . 1 . . . . A 384 VAL HG23 . 30456 1 1458 . 1 1 395 395 VAL CG1 C 13 21.117 . . 1 . . . . A 384 VAL CG1 . 30456 1 1459 . 1 1 395 395 VAL CG2 C 13 21.486 . . 1 . . . . A 384 VAL CG2 . 30456 1 1460 . 1 1 395 395 VAL N N 15 121.669 . . 1 . . . . A 384 VAL N . 30456 1 1461 . 1 1 396 396 ILE H H 1 8.174 . . 1 . . . . A 385 ILE H . 30456 1 1462 . 1 1 396 396 ILE HD11 H 1 0.799 . . 1 . . . . A 385 ILE HD11 . 30456 1 1463 . 1 1 396 396 ILE HD12 H 1 0.799 . . 1 . . . . A 385 ILE HD12 . 30456 1 1464 . 1 1 396 396 ILE HD13 H 1 0.799 . . 1 . . . . A 385 ILE HD13 . 30456 1 1465 . 1 1 396 396 ILE CD1 C 13 13.761 . . 1 . . . . A 385 ILE CD1 . 30456 1 1466 . 1 1 396 396 ILE N N 15 121.132 . . 1 . . . . A 385 ILE N . 30456 1 1467 . 1 1 397 397 GLU H H 1 7.919 . . 1 . . . . A 386 GLU H . 30456 1 1468 . 1 1 397 397 GLU N N 15 121.173 . . 1 . . . . A 386 GLU N . 30456 1 1469 . 1 1 398 398 PHE H H 1 7.987 . . 1 . . . . A 387 PHE H . 30456 1 1470 . 1 1 398 398 PHE HD1 H 1 7.059 . . 3 . . . . A 387 PHE HD1 . 30456 1 1471 . 1 1 398 398 PHE HD2 H 1 7.059 . . 3 . . . . A 387 PHE HD2 . 30456 1 1472 . 1 1 398 398 PHE HE1 H 1 7.225 . . 3 . . . . A 387 PHE HE1 . 30456 1 1473 . 1 1 398 398 PHE HE2 H 1 7.225 . . 3 . . . . A 387 PHE HE2 . 30456 1 1474 . 1 1 398 398 PHE HZ H 1 7.235 . . 1 . . . . A 387 PHE HZ . 30456 1 1475 . 1 1 398 398 PHE CD1 C 13 131.910 . . 3 . . . . A 387 PHE CD1 . 30456 1 1476 . 1 1 398 398 PHE CD2 C 13 131.910 . . 3 . . . . A 387 PHE CD2 . 30456 1 1477 . 1 1 398 398 PHE CE1 C 13 131.395 . . 3 . . . . A 387 PHE CE1 . 30456 1 1478 . 1 1 398 398 PHE CE2 C 13 131.395 . . 3 . . . . A 387 PHE CE2 . 30456 1 1479 . 1 1 398 398 PHE CZ C 13 129.910 . . 1 . . . . A 387 PHE CZ . 30456 1 1480 . 1 1 398 398 PHE N N 15 121.278 . . 1 . . . . A 387 PHE N . 30456 1 1481 . 1 1 399 399 TYR H H 1 8.548 . . 1 . . . . A 388 TYR H . 30456 1 1482 . 1 1 399 399 TYR HD1 H 1 7.160 . . 3 . . . . A 388 TYR HD1 . 30456 1 1483 . 1 1 399 399 TYR HD2 H 1 7.160 . . 3 . . . . A 388 TYR HD2 . 30456 1 1484 . 1 1 399 399 TYR HE1 H 1 6.789 . . 3 . . . . A 388 TYR HE1 . 30456 1 1485 . 1 1 399 399 TYR HE2 H 1 6.789 . . 3 . . . . A 388 TYR HE2 . 30456 1 1486 . 1 1 399 399 TYR CD1 C 13 133.094 . . 3 . . . . A 388 TYR CD1 . 30456 1 1487 . 1 1 399 399 TYR CD2 C 13 133.094 . . 3 . . . . A 388 TYR CD2 . 30456 1 1488 . 1 1 399 399 TYR CE1 C 13 118.107 . . 3 . . . . A 388 TYR CE1 . 30456 1 1489 . 1 1 399 399 TYR CE2 C 13 118.107 . . 3 . . . . A 388 TYR CE2 . 30456 1 1490 . 1 1 399 399 TYR N N 15 119.470 . . 1 . . . . A 388 TYR N . 30456 1 1491 . 1 1 400 400 SER H H 1 7.878 . . 1 . . . . A 389 SER H . 30456 1 1492 . 1 1 400 400 SER N N 15 110.384 . . 1 . . . . A 389 SER N . 30456 1 1493 . 1 1 401 401 LYS H H 1 7.154 . . 1 . . . . A 390 LYS H . 30456 1 1494 . 1 1 401 401 LYS N N 15 118.470 . . 1 . . . . A 390 LYS N . 30456 1 1495 . 1 1 402 402 ASN H H 1 7.450 . . 1 . . . . A 391 ASN H . 30456 1 1496 . 1 1 402 402 ASN N N 15 121.673 . . 1 . . . . A 391 ASN N . 30456 1 1497 . 1 1 404 404 GLU H H 1 8.216 . . 1 . . . . A 393 GLU H . 30456 1 1498 . 1 1 404 404 GLU N N 15 118.828 . . 1 . . . . A 393 GLU N . 30456 1 1499 . 1 1 405 405 LEU HD11 H 1 0.391 . . 1 . . . . A 394 LEU HD11 . 30456 1 1500 . 1 1 405 405 LEU HD12 H 1 0.391 . . 1 . . . . A 394 LEU HD12 . 30456 1 1501 . 1 1 405 405 LEU HD13 H 1 0.391 . . 1 . . . . A 394 LEU HD13 . 30456 1 1502 . 1 1 405 405 LEU HD21 H 1 0.649 . . 1 . . . . A 394 LEU HD21 . 30456 1 1503 . 1 1 405 405 LEU HD22 H 1 0.649 . . 1 . . . . A 394 LEU HD22 . 30456 1 1504 . 1 1 405 405 LEU HD23 H 1 0.649 . . 1 . . . . A 394 LEU HD23 . 30456 1 1505 . 1 1 405 405 LEU CD1 C 13 24.819 . . 1 . . . . A 394 LEU CD1 . 30456 1 1506 . 1 1 405 405 LEU CD2 C 13 22.470 . . 1 . . . . A 394 LEU CD2 . 30456 1 1507 . 1 1 406 406 MET H H 1 8.069 . . 1 . . . . A 395 MET H . 30456 1 1508 . 1 1 406 406 MET HE1 H 1 1.906 . . 1 . . . . A 395 MET HE1 . 30456 1 1509 . 1 1 406 406 MET HE2 H 1 1.906 . . 1 . . . . A 395 MET HE2 . 30456 1 1510 . 1 1 406 406 MET HE3 H 1 1.906 . . 1 . . . . A 395 MET HE3 . 30456 1 1511 . 1 1 406 406 MET CE C 13 15.703 . . 1 . . . . A 395 MET CE . 30456 1 1512 . 1 1 406 406 MET N N 15 118.958 . . 1 . . . . A 395 MET N . 30456 1 1513 . 1 1 407 407 ASP H H 1 8.674 . . 1 . . . . A 396 ASP H . 30456 1 1514 . 1 1 407 407 ASP N N 15 121.046 . . 1 . . . . A 396 ASP N . 30456 1 1515 . 1 1 408 408 ASN H H 1 7.903 . . 1 . . . . A 397 ASN H . 30456 1 1516 . 1 1 408 408 ASN N N 15 119.156 . . 1 . . . . A 397 ASN N . 30456 1 1517 . 1 1 409 409 MET H H 1 8.145 . . 1 . . . . A 398 MET H . 30456 1 1518 . 1 1 409 409 MET HE1 H 1 1.953 . . 1 . . . . A 398 MET HE1 . 30456 1 1519 . 1 1 409 409 MET HE2 H 1 1.953 . . 1 . . . . A 398 MET HE2 . 30456 1 1520 . 1 1 409 409 MET HE3 H 1 1.953 . . 1 . . . . A 398 MET HE3 . 30456 1 1521 . 1 1 409 409 MET CE C 13 17.427 . . 1 . . . . A 398 MET CE . 30456 1 1522 . 1 1 409 409 MET N N 15 119.349 . . 1 . . . . A 398 MET N . 30456 1 1523 . 1 1 410 410 ARG H H 1 8.555 . . 1 . . . . A 399 ARG H . 30456 1 1524 . 1 1 410 410 ARG N N 15 120.940 . . 1 . . . . A 399 ARG N . 30456 1 1525 . 1 1 411 411 ASN H H 1 7.652 . . 1 . . . . A 400 ASN H . 30456 1 1526 . 1 1 411 411 ASN N N 15 117.914 . . 1 . . . . A 400 ASN N . 30456 1 1527 . 1 1 412 412 VAL H H 1 7.911 . . 1 . . . . A 401 VAL H . 30456 1 1528 . 1 1 412 412 VAL HG11 H 1 1.073 . . 1 . . . . A 401 VAL HG11 . 30456 1 1529 . 1 1 412 412 VAL HG12 H 1 1.073 . . 1 . . . . A 401 VAL HG12 . 30456 1 1530 . 1 1 412 412 VAL HG13 H 1 1.073 . . 1 . . . . A 401 VAL HG13 . 30456 1 1531 . 1 1 412 412 VAL HG21 H 1 0.940 . . 1 . . . . A 401 VAL HG21 . 30456 1 1532 . 1 1 412 412 VAL HG22 H 1 0.940 . . 1 . . . . A 401 VAL HG22 . 30456 1 1533 . 1 1 412 412 VAL HG23 H 1 0.940 . . 1 . . . . A 401 VAL HG23 . 30456 1 1534 . 1 1 412 412 VAL CG1 C 13 22.404 . . 1 . . . . A 401 VAL CG1 . 30456 1 1535 . 1 1 412 412 VAL CG2 C 13 21.516 . . 1 . . . . A 401 VAL CG2 . 30456 1 1536 . 1 1 412 412 VAL N N 15 123.714 . . 1 . . . . A 401 VAL N . 30456 1 1537 . 1 1 413 413 ALA H H 1 8.129 . . 1 . . . . A 402 ALA H . 30456 1 1538 . 1 1 413 413 ALA HB1 H 1 1.481 . . 1 . . . . A 402 ALA HB1 . 30456 1 1539 . 1 1 413 413 ALA HB2 H 1 1.481 . . 1 . . . . A 402 ALA HB2 . 30456 1 1540 . 1 1 413 413 ALA HB3 H 1 1.481 . . 1 . . . . A 402 ALA HB3 . 30456 1 1541 . 1 1 413 413 ALA CB C 13 18.208 . . 1 . . . . A 402 ALA CB . 30456 1 1542 . 1 1 413 413 ALA N N 15 123.032 . . 1 . . . . A 402 ALA N . 30456 1 1543 . 1 1 414 414 LEU H H 1 8.256 . . 1 . . . . A 403 LEU H . 30456 1 1544 . 1 1 414 414 LEU HD11 H 1 0.800 . . 1 . . . . A 403 LEU HD11 . 30456 1 1545 . 1 1 414 414 LEU HD12 H 1 0.800 . . 1 . . . . A 403 LEU HD12 . 30456 1 1546 . 1 1 414 414 LEU HD13 H 1 0.800 . . 1 . . . . A 403 LEU HD13 . 30456 1 1547 . 1 1 414 414 LEU HD21 H 1 0.747 . . 1 . . . . A 403 LEU HD21 . 30456 1 1548 . 1 1 414 414 LEU HD22 H 1 0.747 . . 1 . . . . A 403 LEU HD22 . 30456 1 1549 . 1 1 414 414 LEU HD23 H 1 0.747 . . 1 . . . . A 403 LEU HD23 . 30456 1 1550 . 1 1 414 414 LEU CD1 C 13 24.693 . . 1 . . . . A 403 LEU CD1 . 30456 1 1551 . 1 1 414 414 LEU CD2 C 13 23.793 . . 1 . . . . A 403 LEU CD2 . 30456 1 1552 . 1 1 414 414 LEU N N 15 118.964 . . 1 . . . . A 403 LEU N . 30456 1 1553 . 1 1 415 415 GLU H H 1 7.981 . . 1 . . . . A 404 GLU H . 30456 1 1554 . 1 1 415 415 GLU N N 15 119.738 . . 1 . . . . A 404 GLU N . 30456 1 1555 . 1 1 417 417 GLN H H 1 8.543 . . 1 . . . . A 406 GLN H . 30456 1 1556 . 1 1 417 417 GLN N N 15 119.645 . . 1 . . . . A 406 GLN N . 30456 1 1557 . 1 1 418 418 ALA H H 1 8.812 . . 1 . . . . A 407 ALA H . 30456 1 1558 . 1 1 418 418 ALA HB1 H 1 1.471 . . 1 . . . . A 407 ALA HB1 . 30456 1 1559 . 1 1 418 418 ALA HB2 H 1 1.471 . . 1 . . . . A 407 ALA HB2 . 30456 1 1560 . 1 1 418 418 ALA HB3 H 1 1.471 . . 1 . . . . A 407 ALA HB3 . 30456 1 1561 . 1 1 418 418 ALA CB C 13 18.483 . . 1 . . . . A 407 ALA CB . 30456 1 1562 . 1 1 418 418 ALA N N 15 125.330 . . 1 . . . . A 407 ALA N . 30456 1 1563 . 1 1 419 419 VAL H H 1 8.118 . . 1 . . . . A 408 VAL H . 30456 1 1564 . 1 1 419 419 VAL HG11 H 1 0.959 . . 1 . . . . A 408 VAL HG11 . 30456 1 1565 . 1 1 419 419 VAL HG12 H 1 0.959 . . 1 . . . . A 408 VAL HG12 . 30456 1 1566 . 1 1 419 419 VAL HG13 H 1 0.959 . . 1 . . . . A 408 VAL HG13 . 30456 1 1567 . 1 1 419 419 VAL HG21 H 1 0.877 . . 1 . . . . A 408 VAL HG21 . 30456 1 1568 . 1 1 419 419 VAL HG22 H 1 0.877 . . 1 . . . . A 408 VAL HG22 . 30456 1 1569 . 1 1 419 419 VAL HG23 H 1 0.877 . . 1 . . . . A 408 VAL HG23 . 30456 1 1570 . 1 1 419 419 VAL CG1 C 13 23.249 . . 1 . . . . A 408 VAL CG1 . 30456 1 1571 . 1 1 419 419 VAL CG2 C 13 21.271 . . 1 . . . . A 408 VAL CG2 . 30456 1 1572 . 1 1 419 419 VAL N N 15 118.857 . . 1 . . . . A 408 VAL N . 30456 1 1573 . 1 1 420 420 GLU H H 1 8.042 . . 1 . . . . A 409 GLU H . 30456 1 1574 . 1 1 420 420 GLU N N 15 119.174 . . 1 . . . . A 409 GLU N . 30456 1 1575 . 1 1 421 421 ALA H H 1 7.800 . . 1 . . . . A 410 ALA H . 30456 1 1576 . 1 1 421 421 ALA HB1 H 1 1.395 . . 1 . . . . A 410 ALA HB1 . 30456 1 1577 . 1 1 421 421 ALA HB2 H 1 1.395 . . 1 . . . . A 410 ALA HB2 . 30456 1 1578 . 1 1 421 421 ALA HB3 H 1 1.395 . . 1 . . . . A 410 ALA HB3 . 30456 1 1579 . 1 1 421 421 ALA CB C 13 17.215 . . 1 . . . . A 410 ALA CB . 30456 1 1580 . 1 1 421 421 ALA N N 15 123.371 . . 1 . . . . A 410 ALA N . 30456 1 1581 . 1 1 422 422 VAL H H 1 7.667 . . 1 . . . . A 411 VAL H . 30456 1 1582 . 1 1 422 422 VAL HG11 H 1 0.755 . . 1 . . . . A 411 VAL HG11 . 30456 1 1583 . 1 1 422 422 VAL HG12 H 1 0.755 . . 1 . . . . A 411 VAL HG12 . 30456 1 1584 . 1 1 422 422 VAL HG13 H 1 0.755 . . 1 . . . . A 411 VAL HG13 . 30456 1 1585 . 1 1 422 422 VAL HG21 H 1 1.009 . . 1 . . . . A 411 VAL HG21 . 30456 1 1586 . 1 1 422 422 VAL HG22 H 1 1.009 . . 1 . . . . A 411 VAL HG22 . 30456 1 1587 . 1 1 422 422 VAL HG23 H 1 1.009 . . 1 . . . . A 411 VAL HG23 . 30456 1 1588 . 1 1 422 422 VAL CG1 C 13 25.729 . . 1 . . . . A 411 VAL CG1 . 30456 1 1589 . 1 1 422 422 VAL CG2 C 13 23.188 . . 1 . . . . A 411 VAL CG2 . 30456 1 1590 . 1 1 422 422 VAL N N 15 120.434 . . 1 . . . . A 411 VAL N . 30456 1 1591 . 1 1 423 423 LEU H H 1 8.432 . . 1 . . . . A 412 LEU H . 30456 1 1592 . 1 1 423 423 LEU HD11 H 1 0.758 . . 1 . . . . A 412 LEU HD11 . 30456 1 1593 . 1 1 423 423 LEU HD12 H 1 0.758 . . 1 . . . . A 412 LEU HD12 . 30456 1 1594 . 1 1 423 423 LEU HD13 H 1 0.758 . . 1 . . . . A 412 LEU HD13 . 30456 1 1595 . 1 1 423 423 LEU HD21 H 1 0.713 . . 1 . . . . A 412 LEU HD21 . 30456 1 1596 . 1 1 423 423 LEU HD22 H 1 0.713 . . 1 . . . . A 412 LEU HD22 . 30456 1 1597 . 1 1 423 423 LEU HD23 H 1 0.713 . . 1 . . . . A 412 LEU HD23 . 30456 1 1598 . 1 1 423 423 LEU CD1 C 13 25.624 . . 1 . . . . A 412 LEU CD1 . 30456 1 1599 . 1 1 423 423 LEU CD2 C 13 23.963 . . 1 . . . . A 412 LEU CD2 . 30456 1 1600 . 1 1 423 423 LEU N N 15 119.994 . . 1 . . . . A 412 LEU N . 30456 1 1601 . 1 1 424 424 ALA H H 1 7.559 . . 1 . . . . A 413 ALA H . 30456 1 1602 . 1 1 424 424 ALA HB1 H 1 1.480 . . 1 . . . . A 413 ALA HB1 . 30456 1 1603 . 1 1 424 424 ALA HB2 H 1 1.480 . . 1 . . . . A 413 ALA HB2 . 30456 1 1604 . 1 1 424 424 ALA HB3 H 1 1.480 . . 1 . . . . A 413 ALA HB3 . 30456 1 1605 . 1 1 424 424 ALA CB C 13 18.281 . . 1 . . . . A 413 ALA CB . 30456 1 1606 . 1 1 424 424 ALA N N 15 118.458 . . 1 . . . . A 413 ALA N . 30456 1 1607 . 1 1 425 425 LYS H H 1 7.091 . . 1 . . . . A 414 LYS H . 30456 1 1608 . 1 1 425 425 LYS N N 15 115.187 . . 1 . . . . A 414 LYS N . 30456 1 1609 . 1 1 426 426 ALA H H 1 7.098 . . 1 . . . . A 415 ALA H . 30456 1 1610 . 1 1 426 426 ALA HB1 H 1 1.247 . . 1 . . . . A 415 ALA HB1 . 30456 1 1611 . 1 1 426 426 ALA HB2 H 1 1.247 . . 1 . . . . A 415 ALA HB2 . 30456 1 1612 . 1 1 426 426 ALA HB3 H 1 1.247 . . 1 . . . . A 415 ALA HB3 . 30456 1 1613 . 1 1 426 426 ALA CB C 13 19.744 . . 1 . . . . A 415 ALA CB . 30456 1 1614 . 1 1 426 426 ALA N N 15 121.992 . . 1 . . . . A 415 ALA N . 30456 1 1615 . 1 1 427 427 LYS H H 1 8.629 . . 1 . . . . A 416 LYS H . 30456 1 1616 . 1 1 427 427 LYS N N 15 121.435 . . 1 . . . . A 416 LYS N . 30456 1 1617 . 1 1 428 428 VAL H H 1 8.368 . . 1 . . . . A 417 VAL H . 30456 1 1618 . 1 1 428 428 VAL HG11 H 1 0.929 . . 1 . . . . A 417 VAL HG11 . 30456 1 1619 . 1 1 428 428 VAL HG12 H 1 0.929 . . 1 . . . . A 417 VAL HG12 . 30456 1 1620 . 1 1 428 428 VAL HG13 H 1 0.929 . . 1 . . . . A 417 VAL HG13 . 30456 1 1621 . 1 1 428 428 VAL HG21 H 1 0.804 . . 1 . . . . A 417 VAL HG21 . 30456 1 1622 . 1 1 428 428 VAL HG22 H 1 0.804 . . 1 . . . . A 417 VAL HG22 . 30456 1 1623 . 1 1 428 428 VAL HG23 H 1 0.804 . . 1 . . . . A 417 VAL HG23 . 30456 1 1624 . 1 1 428 428 VAL CG1 C 13 20.496 . . 1 . . . . A 417 VAL CG1 . 30456 1 1625 . 1 1 428 428 VAL CG2 C 13 21.494 . . 1 . . . . A 417 VAL CG2 . 30456 1 1626 . 1 1 428 428 VAL N N 15 129.532 . . 1 . . . . A 417 VAL N . 30456 1 1627 . 1 1 429 429 THR H H 1 8.891 . . 1 . . . . A 418 THR H . 30456 1 1628 . 1 1 429 429 THR N N 15 124.176 . . 1 . . . . A 418 THR N . 30456 1 1629 . 1 1 430 430 GLU H H 1 8.706 . . 1 . . . . A 419 GLU H . 30456 1 1630 . 1 1 430 430 GLU N N 15 124.517 . . 1 . . . . A 419 GLU N . 30456 1 1631 . 1 1 431 431 LYS H H 1 8.240 . . 1 . . . . A 420 LYS H . 30456 1 1632 . 1 1 431 431 LYS N N 15 124.641 . . 1 . . . . A 420 LYS N . 30456 1 1633 . 1 1 432 432 GLU H H 1 9.112 . . 1 . . . . A 421 GLU H . 30456 1 1634 . 1 1 432 432 GLU N N 15 131.008 . . 1 . . . . A 421 GLU N . 30456 1 1635 . 1 1 433 433 THR H H 1 8.405 . . 1 . . . . A 422 THR H . 30456 1 1636 . 1 1 433 433 THR N N 15 120.786 . . 1 . . . . A 422 THR N . 30456 1 1637 . 1 1 434 434 THR H H 1 8.461 . . 1 . . . . A 423 THR H . 30456 1 1638 . 1 1 434 434 THR N N 15 113.115 . . 1 . . . . A 423 THR N . 30456 1 1639 . 1 1 435 435 PHE H H 1 9.821 . . 1 . . . . A 424 PHE H . 30456 1 1640 . 1 1 435 435 PHE N N 15 124.792 . . 1 . . . . A 424 PHE N . 30456 1 1641 . 1 1 436 436 ASN H H 1 9.325 . . 1 . . . . A 425 ASN H . 30456 1 1642 . 1 1 436 436 ASN N N 15 116.304 . . 1 . . . . A 425 ASN N . 30456 1 1643 . 1 1 437 437 GLU H H 1 7.623 . . 1 . . . . A 426 GLU H . 30456 1 1644 . 1 1 437 437 GLU N N 15 118.977 . . 1 . . . . A 426 GLU N . 30456 1 1645 . 1 1 438 438 LEU H H 1 7.885 . . 1 . . . . A 427 LEU H . 30456 1 1646 . 1 1 438 438 LEU HD11 H 1 0.710 . . 1 . . . . A 427 LEU HD11 . 30456 1 1647 . 1 1 438 438 LEU HD12 H 1 0.710 . . 1 . . . . A 427 LEU HD12 . 30456 1 1648 . 1 1 438 438 LEU HD13 H 1 0.710 . . 1 . . . . A 427 LEU HD13 . 30456 1 1649 . 1 1 438 438 LEU HD21 H 1 0.874 . . 1 . . . . A 427 LEU HD21 . 30456 1 1650 . 1 1 438 438 LEU HD22 H 1 0.874 . . 1 . . . . A 427 LEU HD22 . 30456 1 1651 . 1 1 438 438 LEU HD23 H 1 0.874 . . 1 . . . . A 427 LEU HD23 . 30456 1 1652 . 1 1 438 438 LEU CD1 C 13 26.925 . . 1 . . . . A 427 LEU CD1 . 30456 1 1653 . 1 1 438 438 LEU CD2 C 13 24.122 . . 1 . . . . A 427 LEU CD2 . 30456 1 1654 . 1 1 438 438 LEU N N 15 120.193 . . 1 . . . . A 427 LEU N . 30456 1 1655 . 1 1 439 439 MET HE1 H 1 1.670 . . 1 . . . . A 428 MET HE1 . 30456 1 1656 . 1 1 439 439 MET HE2 H 1 1.670 . . 1 . . . . A 428 MET HE2 . 30456 1 1657 . 1 1 439 439 MET HE3 H 1 1.670 . . 1 . . . . A 428 MET HE3 . 30456 1 1658 . 1 1 439 439 MET CE C 13 17.387 . . 1 . . . . A 428 MET CE . 30456 1 1659 . 1 1 440 440 ASN H H 1 7.550 . . 1 . . . . A 429 ASN H . 30456 1 1660 . 1 1 440 440 ASN N N 15 117.460 . . 1 . . . . A 429 ASN N . 30456 1 1661 . 1 1 441 441 GLN H H 1 7.738 . . 1 . . . . A 430 GLN H . 30456 1 1662 . 1 1 441 441 GLN N N 15 119.385 . . 1 . . . . A 430 GLN N . 30456 1 1663 . 1 1 442 442 GLN H H 1 8.092 . . 1 . . . . A 431 GLN H . 30456 1 1664 . 1 1 442 442 GLN N N 15 121.369 . . 1 . . . . A 431 GLN N . 30456 1 1665 . 1 1 443 443 ALA H H 1 7.859 . . 1 . . . . A 432 ALA H . 30456 1 1666 . 1 1 443 443 ALA HB1 H 1 1.314 . . 1 . . . . A 432 ALA HB1 . 30456 1 1667 . 1 1 443 443 ALA HB2 H 1 1.314 . . 1 . . . . A 432 ALA HB2 . 30456 1 1668 . 1 1 443 443 ALA HB3 H 1 1.314 . . 1 . . . . A 432 ALA HB3 . 30456 1 1669 . 1 1 443 443 ALA CB C 13 20.125 . . 1 . . . . A 432 ALA CB . 30456 1 1670 . 1 1 443 443 ALA N N 15 131.257 . . 1 . . . . A 432 ALA N . 30456 1 stop_ save_