data_27201 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27201 _Entry.Title ; Partial solid-state NMR assignment of bacteriophage tail protein pb6 (C-ter domain assigned) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-05 _Entry.Accession_date 2017-08-05 _Entry.Last_release_date 2017-08-07 _Entry.Original_release_date 2017-08-07 _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 SOLID-STATE _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 . 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 Paul Schanda . . . . 27201 2 Carsten Krichel . . . . 27201 3 Charles-Adrien Arnaud . . . . 27201 4 Cecile Breyton . . . . 27201 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale' . 27201 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27201 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 202 27201 '15N chemical shifts' 81 27201 '1H chemical shifts' 81 27201 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 . . 2017-11-02 2017-08-05 update BMRB 'update entry citation' 27201 1 . . 2017-09-05 2017-08-05 original author 'original release' 27201 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27201 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/cphc.201700572 _Citation.PubMed_ID 28792111 _Citation.Full_citation . _Citation.Title ; Solid-State NMR H-N-(C)-H and H-N-C-C 3D/4D Correlation Experiments for Resonance Assignment of Large Proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemphyschem _Citation.Journal_name_full 'Chemphyschem : a European journal of chemical physics and physical chemistry' _Citation.Journal_volume 18 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1439-7641 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2697 _Citation.Page_last 2703 _Citation.Year 2017 _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 Hugo Fraga H. . . . 27201 1 2 Charles-Adrien Arnaud C. A. . . 27201 1 3 Diego Gauto D. F. . . 27201 1 4 Maxime Audin M. . . . 27201 1 5 Vilius Kurauskas V. . . . 27201 1 6 Pavel Macek P. . . . 27201 1 7 Carsten Krichel C. . . . 27201 1 8 Jia-Ying Guan J. Y. . . 27201 1 9 Jerome Boisbouvier J. . . . 27201 1 10 Remco Sprangers R. . . . 27201 1 11 Cecile Breyton C. . . . 27201 1 12 Paul Schanda P. . . . 27201 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27201 _Assembly.ID 1 _Assembly.Name 'PB6 full length' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 50405.3222 _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 'PB6 full length' 1 $PB6_full_length A . yes native no no . . . 27201 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PB6_full_length _Entity.Sf_category entity _Entity.Sf_framecode PB6_full_length _Entity.Entry_ID 27201 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PB6_full_length _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSLQLLRNTRIFVSTVKTGH NKTNTQEILVQDDISWGQDS NSTDITVNEAGPRPTRGSKR FNDSLNAAEWSFSTYILPYK DKNTSKQIVPDYMLWHALSS GRAINLEGTTGAHNNATNFM VNFKDNSYHELAMLHIYILT DKTWSYIDSCQINQAEVNVD IEDIGRVTWSGNGNQLIPLD EQPFDPDQIGIDDETYMTIQ GSYIKNKLTILKIKDMDTNK SYDIPITGGTFTINNNITYL TPNVMSRVTIPIGSFTGAFE LTGSLTAYLNDKSLGSMELY KDLIKTLKVVNRFEIALVLG GEYDDERPAAILVAKQAHVN IPTIETDDVLGTSVEFKAIP SDLDAGDEGYLGFSSKYTRT TINNLIVNGDGATDAVTAIT VKSAGNVTTLNRSATLQMSV EVTPSSARNKEVTWAITAGD AATINATGLLRADASKTGAV TVEATAKDGSGVKGTKVITV TAGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 464 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 50405.3222 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27201 1 2 2 SER . 27201 1 3 3 LEU . 27201 1 4 4 GLN . 27201 1 5 5 LEU . 27201 1 6 6 LEU . 27201 1 7 7 ARG . 27201 1 8 8 ASN . 27201 1 9 9 THR . 27201 1 10 10 ARG . 27201 1 11 11 ILE . 27201 1 12 12 PHE . 27201 1 13 13 VAL . 27201 1 14 14 SER . 27201 1 15 15 THR . 27201 1 16 16 VAL . 27201 1 17 17 LYS . 27201 1 18 18 THR . 27201 1 19 19 GLY . 27201 1 20 20 HIS . 27201 1 21 21 ASN . 27201 1 22 22 LYS . 27201 1 23 23 THR . 27201 1 24 24 ASN . 27201 1 25 25 THR . 27201 1 26 26 GLN . 27201 1 27 27 GLU . 27201 1 28 28 ILE . 27201 1 29 29 LEU . 27201 1 30 30 VAL . 27201 1 31 31 GLN . 27201 1 32 32 ASP . 27201 1 33 33 ASP . 27201 1 34 34 ILE . 27201 1 35 35 SER . 27201 1 36 36 TRP . 27201 1 37 37 GLY . 27201 1 38 38 GLN . 27201 1 39 39 ASP . 27201 1 40 40 SER . 27201 1 41 41 ASN . 27201 1 42 42 SER . 27201 1 43 43 THR . 27201 1 44 44 ASP . 27201 1 45 45 ILE . 27201 1 46 46 THR . 27201 1 47 47 VAL . 27201 1 48 48 ASN . 27201 1 49 49 GLU . 27201 1 50 50 ALA . 27201 1 51 51 GLY . 27201 1 52 52 PRO . 27201 1 53 53 ARG . 27201 1 54 54 PRO . 27201 1 55 55 THR . 27201 1 56 56 ARG . 27201 1 57 57 GLY . 27201 1 58 58 SER . 27201 1 59 59 LYS . 27201 1 60 60 ARG . 27201 1 61 61 PHE . 27201 1 62 62 ASN . 27201 1 63 63 ASP . 27201 1 64 64 SER . 27201 1 65 65 LEU . 27201 1 66 66 ASN . 27201 1 67 67 ALA . 27201 1 68 68 ALA . 27201 1 69 69 GLU . 27201 1 70 70 TRP . 27201 1 71 71 SER . 27201 1 72 72 PHE . 27201 1 73 73 SER . 27201 1 74 74 THR . 27201 1 75 75 TYR . 27201 1 76 76 ILE . 27201 1 77 77 LEU . 27201 1 78 78 PRO . 27201 1 79 79 TYR . 27201 1 80 80 LYS . 27201 1 81 81 ASP . 27201 1 82 82 LYS . 27201 1 83 83 ASN . 27201 1 84 84 THR . 27201 1 85 85 SER . 27201 1 86 86 LYS . 27201 1 87 87 GLN . 27201 1 88 88 ILE . 27201 1 89 89 VAL . 27201 1 90 90 PRO . 27201 1 91 91 ASP . 27201 1 92 92 TYR . 27201 1 93 93 MET . 27201 1 94 94 LEU . 27201 1 95 95 TRP . 27201 1 96 96 HIS . 27201 1 97 97 ALA . 27201 1 98 98 LEU . 27201 1 99 99 SER . 27201 1 100 100 SER . 27201 1 101 101 GLY . 27201 1 102 102 ARG . 27201 1 103 103 ALA . 27201 1 104 104 ILE . 27201 1 105 105 ASN . 27201 1 106 106 LEU . 27201 1 107 107 GLU . 27201 1 108 108 GLY . 27201 1 109 109 THR . 27201 1 110 110 THR . 27201 1 111 111 GLY . 27201 1 112 112 ALA . 27201 1 113 113 HIS . 27201 1 114 114 ASN . 27201 1 115 115 ASN . 27201 1 116 116 ALA . 27201 1 117 117 THR . 27201 1 118 118 ASN . 27201 1 119 119 PHE . 27201 1 120 120 MET . 27201 1 121 121 VAL . 27201 1 122 122 ASN . 27201 1 123 123 PHE . 27201 1 124 124 LYS . 27201 1 125 125 ASP . 27201 1 126 126 ASN . 27201 1 127 127 SER . 27201 1 128 128 TYR . 27201 1 129 129 HIS . 27201 1 130 130 GLU . 27201 1 131 131 LEU . 27201 1 132 132 ALA . 27201 1 133 133 MET . 27201 1 134 134 LEU . 27201 1 135 135 HIS . 27201 1 136 136 ILE . 27201 1 137 137 TYR . 27201 1 138 138 ILE . 27201 1 139 139 LEU . 27201 1 140 140 THR . 27201 1 141 141 ASP . 27201 1 142 142 LYS . 27201 1 143 143 THR . 27201 1 144 144 TRP . 27201 1 145 145 SER . 27201 1 146 146 TYR . 27201 1 147 147 ILE . 27201 1 148 148 ASP . 27201 1 149 149 SER . 27201 1 150 150 CYS . 27201 1 151 151 GLN . 27201 1 152 152 ILE . 27201 1 153 153 ASN . 27201 1 154 154 GLN . 27201 1 155 155 ALA . 27201 1 156 156 GLU . 27201 1 157 157 VAL . 27201 1 158 158 ASN . 27201 1 159 159 VAL . 27201 1 160 160 ASP . 27201 1 161 161 ILE . 27201 1 162 162 GLU . 27201 1 163 163 ASP . 27201 1 164 164 ILE . 27201 1 165 165 GLY . 27201 1 166 166 ARG . 27201 1 167 167 VAL . 27201 1 168 168 THR . 27201 1 169 169 TRP . 27201 1 170 170 SER . 27201 1 171 171 GLY . 27201 1 172 172 ASN . 27201 1 173 173 GLY . 27201 1 174 174 ASN . 27201 1 175 175 GLN . 27201 1 176 176 LEU . 27201 1 177 177 ILE . 27201 1 178 178 PRO . 27201 1 179 179 LEU . 27201 1 180 180 ASP . 27201 1 181 181 GLU . 27201 1 182 182 GLN . 27201 1 183 183 PRO . 27201 1 184 184 PHE . 27201 1 185 185 ASP . 27201 1 186 186 PRO . 27201 1 187 187 ASP . 27201 1 188 188 GLN . 27201 1 189 189 ILE . 27201 1 190 190 GLY . 27201 1 191 191 ILE . 27201 1 192 192 ASP . 27201 1 193 193 ASP . 27201 1 194 194 GLU . 27201 1 195 195 THR . 27201 1 196 196 TYR . 27201 1 197 197 MET . 27201 1 198 198 THR . 27201 1 199 199 ILE . 27201 1 200 200 GLN . 27201 1 201 201 GLY . 27201 1 202 202 SER . 27201 1 203 203 TYR . 27201 1 204 204 ILE . 27201 1 205 205 LYS . 27201 1 206 206 ASN . 27201 1 207 207 LYS . 27201 1 208 208 LEU . 27201 1 209 209 THR . 27201 1 210 210 ILE . 27201 1 211 211 LEU . 27201 1 212 212 LYS . 27201 1 213 213 ILE . 27201 1 214 214 LYS . 27201 1 215 215 ASP . 27201 1 216 216 MET . 27201 1 217 217 ASP . 27201 1 218 218 THR . 27201 1 219 219 ASN . 27201 1 220 220 LYS . 27201 1 221 221 SER . 27201 1 222 222 TYR . 27201 1 223 223 ASP . 27201 1 224 224 ILE . 27201 1 225 225 PRO . 27201 1 226 226 ILE . 27201 1 227 227 THR . 27201 1 228 228 GLY . 27201 1 229 229 GLY . 27201 1 230 230 THR . 27201 1 231 231 PHE . 27201 1 232 232 THR . 27201 1 233 233 ILE . 27201 1 234 234 ASN . 27201 1 235 235 ASN . 27201 1 236 236 ASN . 27201 1 237 237 ILE . 27201 1 238 238 THR . 27201 1 239 239 TYR . 27201 1 240 240 LEU . 27201 1 241 241 THR . 27201 1 242 242 PRO . 27201 1 243 243 ASN . 27201 1 244 244 VAL . 27201 1 245 245 MET . 27201 1 246 246 SER . 27201 1 247 247 ARG . 27201 1 248 248 VAL . 27201 1 249 249 THR . 27201 1 250 250 ILE . 27201 1 251 251 PRO . 27201 1 252 252 ILE . 27201 1 253 253 GLY . 27201 1 254 254 SER . 27201 1 255 255 PHE . 27201 1 256 256 THR . 27201 1 257 257 GLY . 27201 1 258 258 ALA . 27201 1 259 259 PHE . 27201 1 260 260 GLU . 27201 1 261 261 LEU . 27201 1 262 262 THR . 27201 1 263 263 GLY . 27201 1 264 264 SER . 27201 1 265 265 LEU . 27201 1 266 266 THR . 27201 1 267 267 ALA . 27201 1 268 268 TYR . 27201 1 269 269 LEU . 27201 1 270 270 ASN . 27201 1 271 271 ASP . 27201 1 272 272 LYS . 27201 1 273 273 SER . 27201 1 274 274 LEU . 27201 1 275 275 GLY . 27201 1 276 276 SER . 27201 1 277 277 MET . 27201 1 278 278 GLU . 27201 1 279 279 LEU . 27201 1 280 280 TYR . 27201 1 281 281 LYS . 27201 1 282 282 ASP . 27201 1 283 283 LEU . 27201 1 284 284 ILE . 27201 1 285 285 LYS . 27201 1 286 286 THR . 27201 1 287 287 LEU . 27201 1 288 288 LYS . 27201 1 289 289 VAL . 27201 1 290 290 VAL . 27201 1 291 291 ASN . 27201 1 292 292 ARG . 27201 1 293 293 PHE . 27201 1 294 294 GLU . 27201 1 295 295 ILE . 27201 1 296 296 ALA . 27201 1 297 297 LEU . 27201 1 298 298 VAL . 27201 1 299 299 LEU . 27201 1 300 300 GLY . 27201 1 301 301 GLY . 27201 1 302 302 GLU . 27201 1 303 303 TYR . 27201 1 304 304 ASP . 27201 1 305 305 ASP . 27201 1 306 306 GLU . 27201 1 307 307 ARG . 27201 1 308 308 PRO . 27201 1 309 309 ALA . 27201 1 310 310 ALA . 27201 1 311 311 ILE . 27201 1 312 312 LEU . 27201 1 313 313 VAL . 27201 1 314 314 ALA . 27201 1 315 315 LYS . 27201 1 316 316 GLN . 27201 1 317 317 ALA . 27201 1 318 318 HIS . 27201 1 319 319 VAL . 27201 1 320 320 ASN . 27201 1 321 321 ILE . 27201 1 322 322 PRO . 27201 1 323 323 THR . 27201 1 324 324 ILE . 27201 1 325 325 GLU . 27201 1 326 326 THR . 27201 1 327 327 ASP . 27201 1 328 328 ASP . 27201 1 329 329 VAL . 27201 1 330 330 LEU . 27201 1 331 331 GLY . 27201 1 332 332 THR . 27201 1 333 333 SER . 27201 1 334 334 VAL . 27201 1 335 335 GLU . 27201 1 336 336 PHE . 27201 1 337 337 LYS . 27201 1 338 338 ALA . 27201 1 339 339 ILE . 27201 1 340 340 PRO . 27201 1 341 341 SER . 27201 1 342 342 ASP . 27201 1 343 343 LEU . 27201 1 344 344 ASP . 27201 1 345 345 ALA . 27201 1 346 346 GLY . 27201 1 347 347 ASP . 27201 1 348 348 GLU . 27201 1 349 349 GLY . 27201 1 350 350 TYR . 27201 1 351 351 LEU . 27201 1 352 352 GLY . 27201 1 353 353 PHE . 27201 1 354 354 SER . 27201 1 355 355 SER . 27201 1 356 356 LYS . 27201 1 357 357 TYR . 27201 1 358 358 THR . 27201 1 359 359 ARG . 27201 1 360 360 THR . 27201 1 361 361 THR . 27201 1 362 362 ILE . 27201 1 363 363 ASN . 27201 1 364 364 ASN . 27201 1 365 365 LEU . 27201 1 366 366 ILE . 27201 1 367 367 VAL . 27201 1 368 368 ASN . 27201 1 369 369 GLY . 27201 1 370 370 ASP . 27201 1 371 371 GLY . 27201 1 372 372 ALA . 27201 1 373 373 THR . 27201 1 374 374 ASP . 27201 1 375 375 ALA . 27201 1 376 376 VAL . 27201 1 377 377 THR . 27201 1 378 378 ALA . 27201 1 379 379 ILE . 27201 1 380 380 THR . 27201 1 381 381 VAL . 27201 1 382 382 LYS . 27201 1 383 383 SER . 27201 1 384 384 ALA . 27201 1 385 385 GLY . 27201 1 386 386 ASN . 27201 1 387 387 VAL . 27201 1 388 388 THR . 27201 1 389 389 THR . 27201 1 390 390 LEU . 27201 1 391 391 ASN . 27201 1 392 392 ARG . 27201 1 393 393 SER . 27201 1 394 394 ALA . 27201 1 395 395 THR . 27201 1 396 396 LEU . 27201 1 397 397 GLN . 27201 1 398 398 MET . 27201 1 399 399 SER . 27201 1 400 400 VAL . 27201 1 401 401 GLU . 27201 1 402 402 VAL . 27201 1 403 403 THR . 27201 1 404 404 PRO . 27201 1 405 405 SER . 27201 1 406 406 SER . 27201 1 407 407 ALA . 27201 1 408 408 ARG . 27201 1 409 409 ASN . 27201 1 410 410 LYS . 27201 1 411 411 GLU . 27201 1 412 412 VAL . 27201 1 413 413 THR . 27201 1 414 414 TRP . 27201 1 415 415 ALA . 27201 1 416 416 ILE . 27201 1 417 417 THR . 27201 1 418 418 ALA . 27201 1 419 419 GLY . 27201 1 420 420 ASP . 27201 1 421 421 ALA . 27201 1 422 422 ALA . 27201 1 423 423 THR . 27201 1 424 424 ILE . 27201 1 425 425 ASN . 27201 1 426 426 ALA . 27201 1 427 427 THR . 27201 1 428 428 GLY . 27201 1 429 429 LEU . 27201 1 430 430 LEU . 27201 1 431 431 ARG . 27201 1 432 432 ALA . 27201 1 433 433 ASP . 27201 1 434 434 ALA . 27201 1 435 435 SER . 27201 1 436 436 LYS . 27201 1 437 437 THR . 27201 1 438 438 GLY . 27201 1 439 439 ALA . 27201 1 440 440 VAL . 27201 1 441 441 THR . 27201 1 442 442 VAL . 27201 1 443 443 GLU . 27201 1 444 444 ALA . 27201 1 445 445 THR . 27201 1 446 446 ALA . 27201 1 447 447 LYS . 27201 1 448 448 ASP . 27201 1 449 449 GLY . 27201 1 450 450 SER . 27201 1 451 451 GLY . 27201 1 452 452 VAL . 27201 1 453 453 LYS . 27201 1 454 454 GLY . 27201 1 455 455 THR . 27201 1 456 456 LYS . 27201 1 457 457 VAL . 27201 1 458 458 ILE . 27201 1 459 459 THR . 27201 1 460 460 VAL . 27201 1 461 461 THR . 27201 1 462 462 ALA . 27201 1 463 463 GLY . 27201 1 464 464 GLY . 27201 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 27201 1 . SER 2 2 27201 1 . LEU 3 3 27201 1 . GLN 4 4 27201 1 . LEU 5 5 27201 1 . LEU 6 6 27201 1 . ARG 7 7 27201 1 . ASN 8 8 27201 1 . THR 9 9 27201 1 . ARG 10 10 27201 1 . ILE 11 11 27201 1 . PHE 12 12 27201 1 . VAL 13 13 27201 1 . SER 14 14 27201 1 . THR 15 15 27201 1 . VAL 16 16 27201 1 . LYS 17 17 27201 1 . THR 18 18 27201 1 . GLY 19 19 27201 1 . HIS 20 20 27201 1 . ASN 21 21 27201 1 . LYS 22 22 27201 1 . THR 23 23 27201 1 . ASN 24 24 27201 1 . THR 25 25 27201 1 . GLN 26 26 27201 1 . GLU 27 27 27201 1 . ILE 28 28 27201 1 . LEU 29 29 27201 1 . VAL 30 30 27201 1 . GLN 31 31 27201 1 . ASP 32 32 27201 1 . ASP 33 33 27201 1 . ILE 34 34 27201 1 . SER 35 35 27201 1 . TRP 36 36 27201 1 . GLY 37 37 27201 1 . GLN 38 38 27201 1 . ASP 39 39 27201 1 . SER 40 40 27201 1 . ASN 41 41 27201 1 . SER 42 42 27201 1 . THR 43 43 27201 1 . ASP 44 44 27201 1 . ILE 45 45 27201 1 . THR 46 46 27201 1 . VAL 47 47 27201 1 . ASN 48 48 27201 1 . GLU 49 49 27201 1 . ALA 50 50 27201 1 . GLY 51 51 27201 1 . PRO 52 52 27201 1 . ARG 53 53 27201 1 . PRO 54 54 27201 1 . THR 55 55 27201 1 . ARG 56 56 27201 1 . GLY 57 57 27201 1 . SER 58 58 27201 1 . LYS 59 59 27201 1 . ARG 60 60 27201 1 . PHE 61 61 27201 1 . ASN 62 62 27201 1 . ASP 63 63 27201 1 . SER 64 64 27201 1 . LEU 65 65 27201 1 . ASN 66 66 27201 1 . ALA 67 67 27201 1 . ALA 68 68 27201 1 . GLU 69 69 27201 1 . TRP 70 70 27201 1 . SER 71 71 27201 1 . PHE 72 72 27201 1 . SER 73 73 27201 1 . THR 74 74 27201 1 . TYR 75 75 27201 1 . ILE 76 76 27201 1 . LEU 77 77 27201 1 . PRO 78 78 27201 1 . TYR 79 79 27201 1 . LYS 80 80 27201 1 . ASP 81 81 27201 1 . LYS 82 82 27201 1 . ASN 83 83 27201 1 . THR 84 84 27201 1 . SER 85 85 27201 1 . LYS 86 86 27201 1 . GLN 87 87 27201 1 . ILE 88 88 27201 1 . VAL 89 89 27201 1 . PRO 90 90 27201 1 . ASP 91 91 27201 1 . TYR 92 92 27201 1 . MET 93 93 27201 1 . LEU 94 94 27201 1 . TRP 95 95 27201 1 . HIS 96 96 27201 1 . ALA 97 97 27201 1 . LEU 98 98 27201 1 . SER 99 99 27201 1 . SER 100 100 27201 1 . GLY 101 101 27201 1 . ARG 102 102 27201 1 . ALA 103 103 27201 1 . ILE 104 104 27201 1 . ASN 105 105 27201 1 . LEU 106 106 27201 1 . GLU 107 107 27201 1 . GLY 108 108 27201 1 . THR 109 109 27201 1 . THR 110 110 27201 1 . GLY 111 111 27201 1 . ALA 112 112 27201 1 . HIS 113 113 27201 1 . ASN 114 114 27201 1 . ASN 115 115 27201 1 . ALA 116 116 27201 1 . THR 117 117 27201 1 . ASN 118 118 27201 1 . PHE 119 119 27201 1 . MET 120 120 27201 1 . VAL 121 121 27201 1 . ASN 122 122 27201 1 . PHE 123 123 27201 1 . LYS 124 124 27201 1 . ASP 125 125 27201 1 . ASN 126 126 27201 1 . SER 127 127 27201 1 . TYR 128 128 27201 1 . HIS 129 129 27201 1 . GLU 130 130 27201 1 . LEU 131 131 27201 1 . ALA 132 132 27201 1 . MET 133 133 27201 1 . LEU 134 134 27201 1 . HIS 135 135 27201 1 . ILE 136 136 27201 1 . TYR 137 137 27201 1 . ILE 138 138 27201 1 . LEU 139 139 27201 1 . THR 140 140 27201 1 . ASP 141 141 27201 1 . LYS 142 142 27201 1 . THR 143 143 27201 1 . TRP 144 144 27201 1 . SER 145 145 27201 1 . TYR 146 146 27201 1 . ILE 147 147 27201 1 . ASP 148 148 27201 1 . SER 149 149 27201 1 . CYS 150 150 27201 1 . GLN 151 151 27201 1 . ILE 152 152 27201 1 . ASN 153 153 27201 1 . GLN 154 154 27201 1 . ALA 155 155 27201 1 . GLU 156 156 27201 1 . VAL 157 157 27201 1 . ASN 158 158 27201 1 . VAL 159 159 27201 1 . ASP 160 160 27201 1 . ILE 161 161 27201 1 . GLU 162 162 27201 1 . ASP 163 163 27201 1 . ILE 164 164 27201 1 . GLY 165 165 27201 1 . ARG 166 166 27201 1 . VAL 167 167 27201 1 . THR 168 168 27201 1 . TRP 169 169 27201 1 . SER 170 170 27201 1 . GLY 171 171 27201 1 . ASN 172 172 27201 1 . GLY 173 173 27201 1 . ASN 174 174 27201 1 . GLN 175 175 27201 1 . LEU 176 176 27201 1 . ILE 177 177 27201 1 . PRO 178 178 27201 1 . LEU 179 179 27201 1 . ASP 180 180 27201 1 . GLU 181 181 27201 1 . GLN 182 182 27201 1 . PRO 183 183 27201 1 . PHE 184 184 27201 1 . ASP 185 185 27201 1 . PRO 186 186 27201 1 . ASP 187 187 27201 1 . GLN 188 188 27201 1 . ILE 189 189 27201 1 . GLY 190 190 27201 1 . ILE 191 191 27201 1 . ASP 192 192 27201 1 . ASP 193 193 27201 1 . GLU 194 194 27201 1 . THR 195 195 27201 1 . TYR 196 196 27201 1 . MET 197 197 27201 1 . THR 198 198 27201 1 . ILE 199 199 27201 1 . GLN 200 200 27201 1 . GLY 201 201 27201 1 . SER 202 202 27201 1 . TYR 203 203 27201 1 . ILE 204 204 27201 1 . LYS 205 205 27201 1 . ASN 206 206 27201 1 . LYS 207 207 27201 1 . LEU 208 208 27201 1 . THR 209 209 27201 1 . ILE 210 210 27201 1 . LEU 211 211 27201 1 . LYS 212 212 27201 1 . ILE 213 213 27201 1 . LYS 214 214 27201 1 . ASP 215 215 27201 1 . MET 216 216 27201 1 . ASP 217 217 27201 1 . THR 218 218 27201 1 . ASN 219 219 27201 1 . LYS 220 220 27201 1 . SER 221 221 27201 1 . TYR 222 222 27201 1 . ASP 223 223 27201 1 . ILE 224 224 27201 1 . PRO 225 225 27201 1 . ILE 226 226 27201 1 . THR 227 227 27201 1 . GLY 228 228 27201 1 . GLY 229 229 27201 1 . THR 230 230 27201 1 . PHE 231 231 27201 1 . THR 232 232 27201 1 . ILE 233 233 27201 1 . ASN 234 234 27201 1 . ASN 235 235 27201 1 . ASN 236 236 27201 1 . ILE 237 237 27201 1 . THR 238 238 27201 1 . TYR 239 239 27201 1 . LEU 240 240 27201 1 . THR 241 241 27201 1 . PRO 242 242 27201 1 . ASN 243 243 27201 1 . VAL 244 244 27201 1 . MET 245 245 27201 1 . SER 246 246 27201 1 . ARG 247 247 27201 1 . VAL 248 248 27201 1 . THR 249 249 27201 1 . ILE 250 250 27201 1 . PRO 251 251 27201 1 . ILE 252 252 27201 1 . GLY 253 253 27201 1 . SER 254 254 27201 1 . PHE 255 255 27201 1 . THR 256 256 27201 1 . GLY 257 257 27201 1 . ALA 258 258 27201 1 . PHE 259 259 27201 1 . GLU 260 260 27201 1 . LEU 261 261 27201 1 . THR 262 262 27201 1 . GLY 263 263 27201 1 . SER 264 264 27201 1 . LEU 265 265 27201 1 . THR 266 266 27201 1 . ALA 267 267 27201 1 . TYR 268 268 27201 1 . LEU 269 269 27201 1 . ASN 270 270 27201 1 . ASP 271 271 27201 1 . LYS 272 272 27201 1 . SER 273 273 27201 1 . LEU 274 274 27201 1 . GLY 275 275 27201 1 . SER 276 276 27201 1 . MET 277 277 27201 1 . GLU 278 278 27201 1 . LEU 279 279 27201 1 . TYR 280 280 27201 1 . LYS 281 281 27201 1 . ASP 282 282 27201 1 . LEU 283 283 27201 1 . ILE 284 284 27201 1 . LYS 285 285 27201 1 . THR 286 286 27201 1 . LEU 287 287 27201 1 . LYS 288 288 27201 1 . VAL 289 289 27201 1 . VAL 290 290 27201 1 . ASN 291 291 27201 1 . ARG 292 292 27201 1 . PHE 293 293 27201 1 . GLU 294 294 27201 1 . ILE 295 295 27201 1 . ALA 296 296 27201 1 . LEU 297 297 27201 1 . VAL 298 298 27201 1 . LEU 299 299 27201 1 . GLY 300 300 27201 1 . GLY 301 301 27201 1 . GLU 302 302 27201 1 . TYR 303 303 27201 1 . ASP 304 304 27201 1 . ASP 305 305 27201 1 . GLU 306 306 27201 1 . ARG 307 307 27201 1 . PRO 308 308 27201 1 . ALA 309 309 27201 1 . ALA 310 310 27201 1 . ILE 311 311 27201 1 . LEU 312 312 27201 1 . VAL 313 313 27201 1 . ALA 314 314 27201 1 . LYS 315 315 27201 1 . GLN 316 316 27201 1 . ALA 317 317 27201 1 . HIS 318 318 27201 1 . VAL 319 319 27201 1 . ASN 320 320 27201 1 . ILE 321 321 27201 1 . PRO 322 322 27201 1 . THR 323 323 27201 1 . ILE 324 324 27201 1 . GLU 325 325 27201 1 . THR 326 326 27201 1 . ASP 327 327 27201 1 . ASP 328 328 27201 1 . VAL 329 329 27201 1 . LEU 330 330 27201 1 . GLY 331 331 27201 1 . THR 332 332 27201 1 . SER 333 333 27201 1 . VAL 334 334 27201 1 . GLU 335 335 27201 1 . PHE 336 336 27201 1 . LYS 337 337 27201 1 . ALA 338 338 27201 1 . ILE 339 339 27201 1 . PRO 340 340 27201 1 . SER 341 341 27201 1 . ASP 342 342 27201 1 . LEU 343 343 27201 1 . ASP 344 344 27201 1 . ALA 345 345 27201 1 . GLY 346 346 27201 1 . ASP 347 347 27201 1 . GLU 348 348 27201 1 . GLY 349 349 27201 1 . TYR 350 350 27201 1 . LEU 351 351 27201 1 . GLY 352 352 27201 1 . PHE 353 353 27201 1 . SER 354 354 27201 1 . SER 355 355 27201 1 . LYS 356 356 27201 1 . TYR 357 357 27201 1 . THR 358 358 27201 1 . ARG 359 359 27201 1 . THR 360 360 27201 1 . THR 361 361 27201 1 . ILE 362 362 27201 1 . ASN 363 363 27201 1 . ASN 364 364 27201 1 . LEU 365 365 27201 1 . ILE 366 366 27201 1 . VAL 367 367 27201 1 . ASN 368 368 27201 1 . GLY 369 369 27201 1 . ASP 370 370 27201 1 . GLY 371 371 27201 1 . ALA 372 372 27201 1 . THR 373 373 27201 1 . ASP 374 374 27201 1 . ALA 375 375 27201 1 . VAL 376 376 27201 1 . THR 377 377 27201 1 . ALA 378 378 27201 1 . ILE 379 379 27201 1 . THR 380 380 27201 1 . VAL 381 381 27201 1 . LYS 382 382 27201 1 . SER 383 383 27201 1 . ALA 384 384 27201 1 . GLY 385 385 27201 1 . ASN 386 386 27201 1 . VAL 387 387 27201 1 . THR 388 388 27201 1 . THR 389 389 27201 1 . LEU 390 390 27201 1 . ASN 391 391 27201 1 . ARG 392 392 27201 1 . SER 393 393 27201 1 . ALA 394 394 27201 1 . THR 395 395 27201 1 . LEU 396 396 27201 1 . GLN 397 397 27201 1 . MET 398 398 27201 1 . SER 399 399 27201 1 . VAL 400 400 27201 1 . GLU 401 401 27201 1 . VAL 402 402 27201 1 . THR 403 403 27201 1 . PRO 404 404 27201 1 . SER 405 405 27201 1 . SER 406 406 27201 1 . ALA 407 407 27201 1 . ARG 408 408 27201 1 . ASN 409 409 27201 1 . LYS 410 410 27201 1 . GLU 411 411 27201 1 . VAL 412 412 27201 1 . THR 413 413 27201 1 . TRP 414 414 27201 1 . ALA 415 415 27201 1 . ILE 416 416 27201 1 . THR 417 417 27201 1 . ALA 418 418 27201 1 . GLY 419 419 27201 1 . ASP 420 420 27201 1 . ALA 421 421 27201 1 . ALA 422 422 27201 1 . THR 423 423 27201 1 . ILE 424 424 27201 1 . ASN 425 425 27201 1 . ALA 426 426 27201 1 . THR 427 427 27201 1 . GLY 428 428 27201 1 . LEU 429 429 27201 1 . LEU 430 430 27201 1 . ARG 431 431 27201 1 . ALA 432 432 27201 1 . ASP 433 433 27201 1 . ALA 434 434 27201 1 . SER 435 435 27201 1 . LYS 436 436 27201 1 . THR 437 437 27201 1 . GLY 438 438 27201 1 . ALA 439 439 27201 1 . VAL 440 440 27201 1 . THR 441 441 27201 1 . VAL 442 442 27201 1 . GLU 443 443 27201 1 . ALA 444 444 27201 1 . THR 445 445 27201 1 . ALA 446 446 27201 1 . LYS 447 447 27201 1 . ASP 448 448 27201 1 . GLY 449 449 27201 1 . SER 450 450 27201 1 . GLY 451 451 27201 1 . VAL 452 452 27201 1 . LYS 453 453 27201 1 . GLY 454 454 27201 1 . THR 455 455 27201 1 . LYS 456 456 27201 1 . VAL 457 457 27201 1 . ILE 458 458 27201 1 . THR 459 459 27201 1 . VAL 460 460 27201 1 . THR 461 461 27201 1 . ALA 462 462 27201 1 . GLY 463 463 27201 1 . GLY 464 464 27201 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 27201 _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 $PB6_full_length . 10726 virus . 'Bacteriophage T5' 'Enterobacteria phage T5' . . Viruses . Bacteriophage T5 . . . . . . . . . . . . . 27201 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 27201 _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 $PB6_full_length . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . pb6-pLIM13 . . . 27201 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27201 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; tails sedimented into rotor using ultracentrifuge device, from H2O-based buffer (no D2O) ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PB6 full length' '[U-13C; U-15N; U-2H]' . . 1 $PB6_full_length . . 2.5 . . mg . . . . 27201 1 2 'Sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27201 1 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 27201 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27201 _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' 0.120 . M 27201 1 pH 6.9 . pH 27201 1 pressure 1 . atm 27201 1 temperature 300 . K 27201 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27201 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.3 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27201 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27201 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_OxBru _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_OxBru _NMR_spectrometer.Entry_ID 27201 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27201 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 600_OxBru Bruker Avance . 600 . . . 27201 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 27201 _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 'fibers_hCANH_DCN_950 (H[N_[CA]].onebond)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 2 'fibers_hCANH_DCNILV (H[N_[CA]].onebond)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 3 'fibers_hCOCANH_DCNILV (H[N_[CA[CO]]].onebond)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 4 'fibers_hCOCAcoNH_DCNILV (H[N[CO[CA]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 5 'fibers_HcacoNH_DCNILV (HcacoNH)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 6 'fibers_HcocaNH_DCNILV (HNcocanH)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 7 'fibers_HCAcoNH_4D_DCNILV (HCAcoNH)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 8 'fibers_hCOcaNH_DCNILV (H[N_[ca[CO]]].onebond)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 9 'fibers_4DHCAcoNH_DCNILV (HCAcoNH)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 10 'fibers_NCACB_DCNILV (N_CA_CB.onebond,relayed-alternate)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 11 'fibers_NCACX (N_CA_C.onebond,relayed)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $600_OxBru . . . . . . . . . . . . . . . . 27201 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27201 _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 adamantane 'methyl protons' . . . . ppm 0 external indirect 0.25144953 . . . . . 27201 1 H 1 na 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 27201 1 N 15 adamantane 'methyl protons' . . . . ppm 0 external indirect 0.10132912 . . . . . 27201 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27201 _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 $chemical_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 'fibers_hCANH_DCN_950 (H[N_[CA]].onebond)' . . . 27201 1 2 'fibers_hCANH_DCNILV (H[N_[CA]].onebond)' . . . 27201 1 3 'fibers_hCOCANH_DCNILV (H[N_[CA[CO]]].onebond)' . . . 27201 1 4 'fibers_hCOCAcoNH_DCNILV (H[N[CO[CA]]])' . . . 27201 1 5 'fibers_HcacoNH_DCNILV (HcacoNH)' . . . 27201 1 6 'fibers_HcocaNH_DCNILV (HNcocanH)' . . . 27201 1 7 'fibers_HCAcoNH_4D_DCNILV (HCAcoNH)' . . . 27201 1 8 'fibers_hCOcaNH_DCNILV (H[N_[ca[CO]]].onebond)' . . . 27201 1 9 'fibers_4DHCAcoNH_DCNILV (HCAcoNH)' . . . 27201 1 10 'fibers_NCACB_DCNILV (N_CA_CB.onebond,relayed-alternate)' . . . 27201 1 11 'fibers_NCACX (N_CA_C.onebond,relayed)' . . . 27201 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27201 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 1 376 376 VAL H H 1 8.763 0.018 . 1 . . 6084 . . 376 VAL H . 27201 1 2 . 1 1 376 376 VAL C C 13 175.657 0.001 . 1 . . 6087 . . 376 VAL C . 27201 1 3 . 1 1 376 376 VAL CA C 13 65.761 0.012 . 1 . . 6085 . . 376 VAL CA . 27201 1 4 . 1 1 376 376 VAL CB C 13 31.832 . . 1 . . 6088 . . 376 VAL CB . 27201 1 5 . 1 1 376 376 VAL N N 15 122.620 0.125 . 1 . . 6086 . . 376 VAL N . 27201 1 6 . 1 1 377 377 THR H H 1 9.499 . . 1 . . 6067 . . 377 THR H . 27201 1 7 . 1 1 377 377 THR C C 13 175.494 . . 1 . . 6064 . . 377 THR C . 27201 1 8 . 1 1 377 377 THR CA C 13 61.588 0.099 . 1 . . 6065 . . 377 THR CA . 27201 1 9 . 1 1 377 377 THR CB C 13 69.935 . . 1 . . 6070 . . 377 THR CB . 27201 1 10 . 1 1 377 377 THR N N 15 113.866 0.086 . 1 . . 6068 . . 377 THR N . 27201 1 11 . 1 1 378 378 ALA H H 1 8.133 0.003 . 1 . . 6060 . . 378 ALA H . 27201 1 12 . 1 1 378 378 ALA C C 13 174.088 0.06 . 1 . . 6063 . . 378 ALA C . 27201 1 13 . 1 1 378 378 ALA CA C 13 52.851 0.03 . 1 . . 6061 . . 378 ALA CA . 27201 1 14 . 1 1 378 378 ALA CB C 13 20.531 . . 1 . . 6066 . . 378 ALA CB . 27201 1 15 . 1 1 378 378 ALA N N 15 124.667 0.083 . 1 . . 6062 . . 378 ALA N . 27201 1 16 . 1 1 379 379 ILE H H 1 8.501 . . 1 . . 6071 . . 379 ILE H . 27201 1 17 . 1 1 379 379 ILE CA C 13 60.186 . . 1 . . 6073 . . 379 ILE CA . 27201 1 18 . 1 1 379 379 ILE CB C 13 42.059 . . 1 . . 6074 . . 379 ILE CB . 27201 1 19 . 1 1 379 379 ILE N N 15 119.711 0.021 . 1 . . 6072 . . 379 ILE N . 27201 1 20 . 1 1 380 380 THR H H 1 8.443 . . 1 . . 6058 . . 380 THR H . 27201 1 21 . 1 1 380 380 THR C C 13 173.731 0.054 . 1 . . 6057 . . 380 THR C . 27201 1 22 . 1 1 380 380 THR CA C 13 60.767 0.024 . 1 . . 6055 . . 380 THR CA . 27201 1 23 . 1 1 380 380 THR N N 15 122.914 . . 1 . . 6059 . . 380 THR N . 27201 1 24 . 1 1 381 381 VAL H H 1 9.167 0.016 . 1 . . 6030 . . 381 VAL H . 27201 1 25 . 1 1 381 381 VAL C C 13 173.903 . . 1 . . 6033 . . 381 VAL C . 27201 1 26 . 1 1 381 381 VAL CA C 13 61.960 0.139 . 1 . . 6031 . . 381 VAL CA . 27201 1 27 . 1 1 381 381 VAL CB C 13 31.514 . . 1 . . 6056 . . 381 VAL CB . 27201 1 28 . 1 1 381 381 VAL N N 15 128.210 0.109 . 1 . . 6032 . . 381 VAL N . 27201 1 29 . 1 1 382 382 LYS H H 1 9.275 . . 1 . . 6053 . . 382 LYS H . 27201 1 30 . 1 1 382 382 LYS C C 13 174.549 0.001 . 1 . . 6052 . . 382 LYS C . 27201 1 31 . 1 1 382 382 LYS CA C 13 53.632 0.031 . 1 . . 6051 . . 382 LYS CA . 27201 1 32 . 1 1 382 382 LYS N N 15 126.825 . . 1 . . 6054 . . 382 LYS N . 27201 1 33 . 1 1 383 383 SER H H 1 8.781 0.003 . 1 . . 6048 . . 383 SER H . 27201 1 34 . 1 1 383 383 SER C C 13 175.621 0.021 . 1 . . 5860 . . 383 SER C . 27201 1 35 . 1 1 383 383 SER CA C 13 54.292 0.028 . 1 . . 6047 . . 383 SER CA . 27201 1 36 . 1 1 383 383 SER CB C 13 66.909 . . 1 . . 6050 . . 383 SER CB . 27201 1 37 . 1 1 383 383 SER N N 15 112.722 0.033 . 1 . . 6049 . . 383 SER N . 27201 1 38 . 1 1 384 384 ALA H H 1 7.332 0.023 . 1 . . 5856 . . 384 ALA H . 27201 1 39 . 1 1 384 384 ALA C C 13 179.586 0.014 . 1 . . 6046 . . 384 ALA C . 27201 1 40 . 1 1 384 384 ALA CA C 13 53.600 0.017 . 1 . . 5859 . . 384 ALA CA . 27201 1 41 . 1 1 384 384 ALA CB C 13 17.213 0.017 . 1 . . 5858 . . 384 ALA CB . 27201 1 42 . 1 1 384 384 ALA N N 15 126.305 0.065 . 1 . . 5857 . . 384 ALA N . 27201 1 43 . 1 1 385 385 GLY H H 1 9.033 0.021 . 1 . . 6045 . . 385 GLY H . 27201 1 44 . 1 1 385 385 GLY C C 13 173.886 0.016 . 1 . . 6042 . . 385 GLY C . 27201 1 45 . 1 1 385 385 GLY CA C 13 45.724 0.027 . 1 . . 6043 . . 385 GLY CA . 27201 1 46 . 1 1 385 385 GLY N N 15 113.760 0.075 . 1 . . 6044 . . 385 GLY N . 27201 1 47 . 1 1 386 386 ASN H H 1 8.571 0.012 . 1 . . 6038 . . 386 ASN H . 27201 1 48 . 1 1 386 386 ASN C C 13 175.334 0.023 . 1 . . 6035 . . 386 ASN C . 27201 1 49 . 1 1 386 386 ASN CA C 13 53.667 0.047 . 1 . . 6037 . . 386 ASN CA . 27201 1 50 . 1 1 386 386 ASN CB C 13 36.855 . . 1 . . 6041 . . 386 ASN CB . 27201 1 51 . 1 1 386 386 ASN N N 15 113.867 0.089 . 1 . . 6036 . . 386 ASN N . 27201 1 52 . 1 1 387 387 VAL H H 1 6.801 0.005 . 1 . . 6040 . . 387 VAL H . 27201 1 53 . 1 1 387 387 VAL C C 13 177.828 . . 1 . . 6102 . . 387 VAL C . 27201 1 54 . 1 1 387 387 VAL CA C 13 61.836 0.004 . 1 . . 6100 . . 387 VAL CA . 27201 1 55 . 1 1 387 387 VAL N N 15 114.263 0.159 . 1 . . 6039 . . 387 VAL N . 27201 1 56 . 1 1 388 388 THR H H 1 8.816 . . 1 . . 5987 . . 388 THR H . 27201 1 57 . 1 1 388 388 THR C C 13 173.997 0.007 . 1 . . 5985 . . 388 THR C . 27201 1 58 . 1 1 388 388 THR CA C 13 60.879 0.001 . 1 . . 5986 . . 388 THR CA . 27201 1 59 . 1 1 388 388 THR N N 15 109.500 . . 1 . . 5988 . . 388 THR N . 27201 1 60 . 1 1 389 389 THR H H 1 7.368 0.002 . 1 . . 5980 . . 389 THR H . 27201 1 61 . 1 1 389 389 THR C C 13 172.034 . . 1 . . 5984 . . 389 THR C . 27201 1 62 . 1 1 389 389 THR CA C 13 58.817 0.009 . 1 . . 5983 . . 389 THR CA . 27201 1 63 . 1 1 389 389 THR CB C 13 71.859 . . 1 . . 5982 . . 389 THR CB . 27201 1 64 . 1 1 389 389 THR N N 15 113.808 0.031 . 1 . . 5981 . . 389 THR N . 27201 1 65 . 1 1 390 390 LEU H H 1 8.379 . . 1 . . 5979 . . 390 LEU H . 27201 1 66 . 1 1 390 390 LEU C C 13 174.004 0.014 . 1 . . 5975 . . 390 LEU C . 27201 1 67 . 1 1 390 390 LEU CA C 13 53.611 0.003 . 1 . . 5976 . . 390 LEU CA . 27201 1 68 . 1 1 390 390 LEU N N 15 121.391 . . 1 . . 5978 . . 390 LEU N . 27201 1 69 . 1 1 391 391 ASN H H 1 8.409 0.001 . 1 . . 5969 . . 391 ASN H . 27201 1 70 . 1 1 391 391 ASN C C 13 174.810 . . 1 . . 5973 . . 391 ASN C . 27201 1 71 . 1 1 391 391 ASN CA C 13 52.165 0.063 . 1 . . 5970 . . 391 ASN CA . 27201 1 72 . 1 1 391 391 ASN CB C 13 39.265 . . 1 . . 5974 . . 391 ASN CB . 27201 1 73 . 1 1 391 391 ASN N N 15 122.559 0.03 . 1 . . 5971 . . 391 ASN N . 27201 1 74 . 1 1 392 392 ARG H H 1 7.700 0.0 . 1 . . 6075 . . 392 ARG H . 27201 1 75 . 1 1 392 392 ARG C C 13 176.977 . . 1 . . 5797 . . 392 ARG C . 27201 1 76 . 1 1 392 392 ARG CA C 13 58.784 . . 1 . . 6078 . . 392 ARG CA . 27201 1 77 . 1 1 392 392 ARG CB C 13 30.402 . . 1 . . 6077 . . 392 ARG CB . 27201 1 78 . 1 1 392 392 ARG N N 15 117.023 . . 1 . . 6076 . . 392 ARG N . 27201 1 79 . 1 1 393 393 SER H H 1 6.909 . . 1 . . 5794 . . 393 SER H . 27201 1 80 . 1 1 393 393 SER CA C 13 61.912 . . 1 . . 5796 . . 393 SER CA . 27201 1 81 . 1 1 393 393 SER N N 15 112.152 0.041 . 1 . . 5795 . . 393 SER N . 27201 1 82 . 1 1 394 394 ALA H H 1 7.832 0.006 . 1 . . 6079 . . 394 ALA H . 27201 1 83 . 1 1 394 394 ALA C C 13 175.357 0.062 . 1 . . 6083 . . 394 ALA C . 27201 1 84 . 1 1 394 394 ALA CA C 13 51.253 0.002 . 1 . . 6082 . . 394 ALA CA . 27201 1 85 . 1 1 394 394 ALA CB C 13 19.743 . . 1 . . 6081 . . 394 ALA CB . 27201 1 86 . 1 1 394 394 ALA N N 15 124.830 0.021 . 1 . . 6080 . . 394 ALA N . 27201 1 87 . 1 1 395 395 THR H H 1 7.881 0.0 . 1 . . 5897 . . 395 THR H . 27201 1 88 . 1 1 395 395 THR CA C 13 58.411 0.066 . 1 . . 5900 . . 395 THR CA . 27201 1 89 . 1 1 395 395 THR CB C 13 71.814 0.052 . 1 . . 5899 . . 395 THR CB . 27201 1 90 . 1 1 395 395 THR N N 15 105.926 0.048 . 1 . . 5898 . . 395 THR N . 27201 1 91 . 1 1 396 396 LEU H H 1 8.880 . . 1 . . 6025 . . 396 LEU H . 27201 1 92 . 1 1 396 396 LEU C C 13 174.108 0.095 . 1 . . 6028 . . 396 LEU C . 27201 1 93 . 1 1 396 396 LEU CA C 13 53.692 0.078 . 1 . . 5902 . . 396 LEU CA . 27201 1 94 . 1 1 396 396 LEU CB C 13 45.882 . . 1 . . 5901 . . 396 LEU CB . 27201 1 95 . 1 1 396 396 LEU N N 15 121.492 0.156 . 1 . . 6027 . . 396 LEU N . 27201 1 96 . 1 1 397 397 GLN H H 1 8.950 . . 1 . . 5903 . . 397 GLN H . 27201 1 97 . 1 1 397 397 GLN CA C 13 55.486 . . 1 . . 5905 . . 397 GLN CA . 27201 1 98 . 1 1 397 397 GLN CB C 13 28.467 . . 1 . . 5906 . . 397 GLN CB . 27201 1 99 . 1 1 397 397 GLN N N 15 128.017 0.055 . 1 . . 5904 . . 397 GLN N . 27201 1 100 . 1 1 398 398 MET H H 1 8.360 . . 1 . . 5907 . . 398 MET H . 27201 1 101 . 1 1 398 398 MET C C 13 176.583 . . 1 . . 5914 . . 398 MET C . 27201 1 102 . 1 1 398 398 MET CA C 13 51.995 . . 1 . . 5909 . . 398 MET CA . 27201 1 103 . 1 1 398 398 MET N N 15 129.011 . . 1 . . 5908 . . 398 MET N . 27201 1 104 . 1 1 399 399 SER H H 1 9.319 0.022 . 1 . . 5910 . . 399 SER H . 27201 1 105 . 1 1 399 399 SER C C 13 172.752 0.072 . 1 . . 5915 . . 399 SER C . 27201 1 106 . 1 1 399 399 SER CA C 13 57.509 0.041 . 1 . . 5913 . . 399 SER CA . 27201 1 107 . 1 1 399 399 SER CB C 13 65.275 . . 1 . . 5912 . . 399 SER CB . 27201 1 108 . 1 1 399 399 SER N N 15 115.750 0.075 . 1 . . 5911 . . 399 SER N . 27201 1 109 . 1 1 400 400 VAL H H 1 8.499 0.001 . 1 . . 5918 . . 400 VAL H . 27201 1 110 . 1 1 400 400 VAL C C 13 176.100 . . 1 . . 5920 . . 400 VAL C . 27201 1 111 . 1 1 400 400 VAL CA C 13 58.535 0.018 . 1 . . 5919 . . 400 VAL CA . 27201 1 112 . 1 1 400 400 VAL CB C 13 35.420 . . 1 . . 5916 . . 400 VAL CB . 27201 1 113 . 1 1 400 400 VAL N N 15 109.536 0.11 . 1 . . 5917 . . 400 VAL N . 27201 1 114 . 1 1 401 401 GLU H H 1 8.780 0.01 . 1 . . 5921 . . 401 GLU H . 27201 1 115 . 1 1 401 401 GLU C C 13 175.849 . . 1 . . 5924 . . 401 GLU C . 27201 1 116 . 1 1 401 401 GLU CA C 13 54.825 . . 1 . . 5922 . . 401 GLU CA . 27201 1 117 . 1 1 401 401 GLU CB C 13 31.010 . . 1 . . 5925 . . 401 GLU CB . 27201 1 118 . 1 1 401 401 GLU N N 15 121.302 0.102 . 1 . . 5923 . . 401 GLU N . 27201 1 119 . 1 1 402 402 VAL H H 1 8.949 . . 1 . . 6023 . . 402 VAL H . 27201 1 120 . 1 1 402 402 VAL C C 13 174.471 0.04 . 1 . . 6022 . . 402 VAL C . 27201 1 121 . 1 1 402 402 VAL CA C 13 61.690 . . 1 . . 6021 . . 402 VAL CA . 27201 1 122 . 1 1 402 402 VAL N N 15 128.615 . . 1 . . 6024 . . 402 VAL N . 27201 1 123 . 1 1 403 403 THR H H 1 8.843 0.015 . 1 . . 5926 . . 403 THR H . 27201 1 124 . 1 1 403 403 THR C C 13 172.200 . . 1 . . 5930 . . 403 THR C . 27201 1 125 . 1 1 403 403 THR CA C 13 58.719 0.099 . 1 . . 5928 . . 403 THR CA . 27201 1 126 . 1 1 403 403 THR CB C 13 70.704 0.066 . 1 . . 5929 . . 403 THR CB . 27201 1 127 . 1 1 403 403 THR N N 15 123.323 0.051 . 1 . . 5927 . . 403 THR N . 27201 1 128 . 1 1 404 404 PRO C C 13 177.535 . . 1 . . 5807 . . 404 PRO C . 27201 1 129 . 1 1 405 405 SER H H 1 9.140 . . 1 . . 5804 . . 405 SER H . 27201 1 130 . 1 1 405 405 SER C C 13 174.922 . . 1 . . 5800 . . 405 SER C . 27201 1 131 . 1 1 405 405 SER CA C 13 60.614 . . 1 . . 5806 . . 405 SER CA . 27201 1 132 . 1 1 405 405 SER N N 15 116.192 . . 1 . . 5805 . . 405 SER N . 27201 1 133 . 1 1 406 406 SER H H 1 7.314 0.004 . 1 . . 5799 . . 406 SER H . 27201 1 134 . 1 1 406 406 SER C C 13 173.982 . . 1 . . 5821 . . 406 SER C . 27201 1 135 . 1 1 406 406 SER CA C 13 57.256 . . 1 . . 5803 . . 406 SER CA . 27201 1 136 . 1 1 406 406 SER CB C 13 62.563 . . 1 . . 5802 . . 406 SER CB . 27201 1 137 . 1 1 406 406 SER N N 15 110.382 . . 1 . . 5801 . . 406 SER N . 27201 1 138 . 1 1 407 407 ALA H H 1 7.500 . . 1 . . 5818 . . 407 ALA H . 27201 1 139 . 1 1 407 407 ALA C C 13 177.577 . . 1 . . 5817 . . 407 ALA C . 27201 1 140 . 1 1 407 407 ALA CA C 13 52.547 . . 1 . . 5822 . . 407 ALA CA . 27201 1 141 . 1 1 407 407 ALA CB C 13 16.862 . . 1 . . 5820 . . 407 ALA CB . 27201 1 142 . 1 1 407 407 ALA N N 15 126.467 0.075 . 1 . . 5819 . . 407 ALA N . 27201 1 143 . 1 1 408 408 ARG H H 1 7.683 . . 1 . . 5813 . . 408 ARG H . 27201 1 144 . 1 1 408 408 ARG C C 13 175.857 . . 1 . . 5812 . . 408 ARG C . 27201 1 145 . 1 1 408 408 ARG CA C 13 57.462 . . 1 . . 5816 . . 408 ARG CA . 27201 1 146 . 1 1 408 408 ARG CB C 13 29.104 . . 1 . . 5815 . . 408 ARG CB . 27201 1 147 . 1 1 408 408 ARG N N 15 122.018 0.101 . 1 . . 5814 . . 408 ARG N . 27201 1 148 . 1 1 409 409 ASN H H 1 8.211 . . 1 . . 5808 . . 409 ASN H . 27201 1 149 . 1 1 409 409 ASN C C 13 174.487 . . 1 . . 5933 . . 409 ASN C . 27201 1 150 . 1 1 409 409 ASN CA C 13 51.299 . . 1 . . 5810 . . 409 ASN CA . 27201 1 151 . 1 1 409 409 ASN CB C 13 38.774 . . 1 . . 5811 . . 409 ASN CB . 27201 1 152 . 1 1 409 409 ASN N N 15 116.449 0.042 . 1 . . 5809 . . 409 ASN N . 27201 1 153 . 1 1 410 410 LYS H H 1 8.726 0.007 . 1 . . 5931 . . 410 LYS H . 27201 1 154 . 1 1 410 410 LYS C C 13 175.524 0.033 . 1 . . 5936 . . 410 LYS C . 27201 1 155 . 1 1 410 410 LYS CA C 13 54.774 0.037 . 1 . . 5935 . . 410 LYS CA . 27201 1 156 . 1 1 410 410 LYS CB C 13 31.805 . . 1 . . 5934 . . 410 LYS CB . 27201 1 157 . 1 1 410 410 LYS N N 15 122.769 0.089 . 1 . . 5932 . . 410 LYS N . 27201 1 158 . 1 1 411 411 GLU H H 1 8.038 0.015 . 1 . . 5938 . . 411 GLU H . 27201 1 159 . 1 1 411 411 GLU C C 13 176.491 0.082 . 1 . . 5941 . . 411 GLU C . 27201 1 160 . 1 1 411 411 GLU CA C 13 56.256 0.063 . 1 . . 5940 . . 411 GLU CA . 27201 1 161 . 1 1 411 411 GLU CB C 13 29.420 . . 1 . . 5939 . . 411 GLU CB . 27201 1 162 . 1 1 411 411 GLU N N 15 118.448 0.04 . 1 . . 5937 . . 411 GLU N . 27201 1 163 . 1 1 412 412 VAL H H 1 8.253 0.015 . 1 . . 5943 . . 412 VAL H . 27201 1 164 . 1 1 412 412 VAL C C 13 175.295 0.018 . 1 . . 5947 . . 412 VAL C . 27201 1 165 . 1 1 412 412 VAL CA C 13 58.254 0.048 . 1 . . 5946 . . 412 VAL CA . 27201 1 166 . 1 1 412 412 VAL N N 15 110.923 0.016 . 1 . . 5942 . . 412 VAL N . 27201 1 167 . 1 1 413 413 THR H H 1 8.743 0.012 . 1 . . 5949 . . 413 THR H . 27201 1 168 . 1 1 413 413 THR C C 13 174.004 0.005 . 1 . . 5953 . . 413 THR C . 27201 1 169 . 1 1 413 413 THR CA C 13 60.000 0.075 . 1 . . 5951 . . 413 THR CA . 27201 1 170 . 1 1 413 413 THR CB C 13 69.973 . . 1 . . 5952 . . 413 THR CB . 27201 1 171 . 1 1 413 413 THR N N 15 113.042 0.053 . 1 . . 5950 . . 413 THR N . 27201 1 172 . 1 1 414 414 TRP H H 1 8.525 0.002 . 1 . . 5955 . . 414 TRP H . 27201 1 173 . 1 1 414 414 TRP C C 13 176.433 . . 1 . . 5958 . . 414 TRP C . 27201 1 174 . 1 1 414 414 TRP CA C 13 55.804 0.005 . 1 . . 5956 . . 414 TRP CA . 27201 1 175 . 1 1 414 414 TRP CB C 13 32.297 . . 1 . . 5957 . . 414 TRP CB . 27201 1 176 . 1 1 414 414 TRP N N 15 122.441 0.033 . 1 . . 5954 . . 414 TRP N . 27201 1 177 . 1 1 415 415 ALA H H 1 9.241 0.006 . 1 . . 5959 . . 415 ALA H . 27201 1 178 . 1 1 415 415 ALA C C 13 175.127 . . 1 . . 5962 . . 415 ALA C . 27201 1 179 . 1 1 415 415 ALA CA C 13 51.250 . . 1 . . 5961 . . 415 ALA CA . 27201 1 180 . 1 1 415 415 ALA N N 15 123.323 0.024 . 1 . . 5960 . . 415 ALA N . 27201 1 181 . 1 1 416 416 ILE H H 1 8.570 . . 1 . . 5964 . . 416 ILE H . 27201 1 182 . 1 1 416 416 ILE C C 13 178.081 . . 1 . . 5840 . . 416 ILE C . 27201 1 183 . 1 1 416 416 ILE N N 15 120.300 . . 1 . . 5963 . . 416 ILE N . 27201 1 184 . 1 1 417 417 THR H H 1 8.515 0.007 . 1 . . 5836 . . 417 THR H . 27201 1 185 . 1 1 417 417 THR C C 13 174.644 . . 1 . . 5870 . . 417 THR C . 27201 1 186 . 1 1 417 417 THR CA C 13 61.120 . . 1 . . 5838 . . 417 THR CA . 27201 1 187 . 1 1 417 417 THR CB C 13 68.171 . . 1 . . 5839 . . 417 THR CB . 27201 1 188 . 1 1 417 417 THR N N 15 116.702 0.052 . 1 . . 5837 . . 417 THR N . 27201 1 189 . 1 1 418 418 ALA H H 1 7.357 0.0 . 1 . . 5866 . . 418 ALA H . 27201 1 190 . 1 1 418 418 ALA CA C 13 52.769 . . 1 . . 5869 . . 418 ALA CA . 27201 1 191 . 1 1 418 418 ALA CB C 13 20.655 . . 1 . . 5868 . . 418 ALA CB . 27201 1 192 . 1 1 418 418 ALA N N 15 123.274 0.029 . 1 . . 5867 . . 418 ALA N . 27201 1 193 . 1 1 419 419 GLY H H 1 8.301 . . 1 . . 5831 . . 419 GLY H . 27201 1 194 . 1 1 419 419 GLY C C 13 172.861 . . 1 . . 5843 . . 419 GLY C . 27201 1 195 . 1 1 419 419 GLY CA C 13 44.204 . . 1 . . 5834 . . 419 GLY CA . 27201 1 196 . 1 1 419 419 GLY N N 15 108.184 . . 1 . . 5832 . . 419 GLY N . 27201 1 197 . 1 1 420 420 ASP H H 1 8.481 . . 1 . . 5841 . . 420 ASP H . 27201 1 198 . 1 1 420 420 ASP C C 13 177.157 . . 1 . . 5875 . . 420 ASP C . 27201 1 199 . 1 1 420 420 ASP CA C 13 52.717 . . 1 . . 5844 . . 420 ASP CA . 27201 1 200 . 1 1 420 420 ASP CB C 13 40.970 . . 1 . . 5845 . . 420 ASP CB . 27201 1 201 . 1 1 420 420 ASP N N 15 116.455 0.056 . 1 . . 5842 . . 420 ASP N . 27201 1 202 . 1 1 421 421 ALA H H 1 7.507 0.003 . 1 . . 5871 . . 421 ALA H . 27201 1 203 . 1 1 421 421 ALA C C 13 173.519 . . 1 . . 5880 . . 421 ALA C . 27201 1 204 . 1 1 421 421 ALA CA C 13 52.908 . . 1 . . 5874 . . 421 ALA CA . 27201 1 205 . 1 1 421 421 ALA CB C 13 16.500 . . 1 . . 5873 . . 421 ALA CB . 27201 1 206 . 1 1 421 421 ALA N N 15 120.262 0.006 . 1 . . 5872 . . 421 ALA N . 27201 1 207 . 1 1 422 422 ALA H H 1 7.130 0.005 . 1 . . 5876 . . 422 ALA H . 27201 1 208 . 1 1 422 422 ALA C C 13 174.550 0.042 . 1 . . 5882 . . 422 ALA C . 27201 1 209 . 1 1 422 422 ALA CA C 13 50.613 . . 1 . . 5878 . . 422 ALA CA . 27201 1 210 . 1 1 422 422 ALA CB C 13 22.660 . . 1 . . 5879 . . 422 ALA CB . 27201 1 211 . 1 1 422 422 ALA N N 15 116.029 0.0 . 1 . . 5877 . . 422 ALA N . 27201 1 212 . 1 1 423 423 THR H H 1 8.187 . . 1 . . 5881 . . 423 THR H . 27201 1 213 . 1 1 423 423 THR CA C 13 59.373 0.013 . 1 . . 5884 . . 423 THR CA . 27201 1 214 . 1 1 423 423 THR CB C 13 72.404 . . 1 . . 5885 . . 423 THR CB . 27201 1 215 . 1 1 423 423 THR N N 15 107.893 0.037 . 1 . . 5883 . . 423 THR N . 27201 1 216 . 1 1 424 424 ILE H H 1 8.801 0.011 . 1 . . 5886 . . 424 ILE H . 27201 1 217 . 1 1 424 424 ILE C C 13 172.796 . . 1 . . 5895 . . 424 ILE C . 27201 1 218 . 1 1 424 424 ILE CA C 13 58.926 0.06 . 1 . . 5888 . . 424 ILE CA . 27201 1 219 . 1 1 424 424 ILE N N 15 119.912 0.047 . 1 . . 5887 . . 424 ILE N . 27201 1 220 . 1 1 425 425 ASN H H 1 7.097 0.048 . 1 . . 5789 . . 425 ASN H . 27201 1 221 . 1 1 425 425 ASN C C 13 176.551 0.02 . 1 . . 5896 . . 425 ASN C . 27201 1 222 . 1 1 425 425 ASN CA C 13 50.252 . . 1 . . 5791 . . 425 ASN CA . 27201 1 223 . 1 1 425 425 ASN CB C 13 38.556 . . 1 . . 5793 . . 425 ASN CB . 27201 1 224 . 1 1 425 425 ASN N N 15 124.715 0.047 . 1 . . 5790 . . 425 ASN N . 27201 1 225 . 1 1 426 426 ALA H H 1 8.105 0.011 . 1 . . 5890 . . 426 ALA H . 27201 1 226 . 1 1 426 426 ALA C C 13 179.611 . . 1 . . 5894 . . 426 ALA C . 27201 1 227 . 1 1 426 426 ALA CA C 13 53.807 0.01 . 1 . . 5893 . . 426 ALA CA . 27201 1 228 . 1 1 426 426 ALA CB C 13 18.289 . . 1 . . 5892 . . 426 ALA CB . 27201 1 229 . 1 1 426 426 ALA N N 15 115.662 0.082 . 1 . . 5891 . . 426 ALA N . 27201 1 230 . 1 1 428 428 GLY C C 13 172.009 . . 1 . . 6099 . . 428 GLY C . 27201 1 231 . 1 1 428 428 GLY CA C 13 44.561 . . 1 . . 6098 . . 428 GLY CA . 27201 1 232 . 1 1 429 429 LEU H H 1 7.812 0.006 . 1 . . 6093 . . 429 LEU H . 27201 1 233 . 1 1 429 429 LEU C C 13 174.404 0.013 . 1 . . 6092 . . 429 LEU C . 27201 1 234 . 1 1 429 429 LEU CA C 13 54.190 0.031 . 1 . . 6091 . . 429 LEU CA . 27201 1 235 . 1 1 429 429 LEU N N 15 122.421 0.029 . 1 . . 6094 . . 429 LEU N . 27201 1 236 . 1 1 430 430 LEU H H 1 8.800 . . 1 . . 5734 . . 430 LEU H . 27201 1 237 . 1 1 430 430 LEU C C 13 174.768 0.049 . 1 . . 5732 . . 430 LEU C . 27201 1 238 . 1 1 430 430 LEU CA C 13 53.698 0.083 . 1 . . 6029 . . 430 LEU CA . 27201 1 239 . 1 1 430 430 LEU N N 15 134.760 . . 1 . . 5733 . . 430 LEU N . 27201 1 240 . 1 1 431 431 ARG H H 1 9.111 0.021 . 1 . . 5730 . . 431 ARG H . 27201 1 241 . 1 1 431 431 ARG C C 13 176.168 0.009 . 1 . . 5727 . . 431 ARG C . 27201 1 242 . 1 1 431 431 ARG CA C 13 54.243 0.003 . 1 . . 5728 . . 431 ARG CA . 27201 1 243 . 1 1 431 431 ARG N N 15 126.325 0.055 . 1 . . 5729 . . 431 ARG N . 27201 1 244 . 1 1 432 432 ALA H H 1 8.942 0.016 . 1 . . 5723 . . 432 ALA H . 27201 1 245 . 1 1 432 432 ALA C C 13 177.017 0.036 . 1 . . 5726 . . 432 ALA C . 27201 1 246 . 1 1 432 432 ALA CA C 13 51.723 0.081 . 1 . . 5724 . . 432 ALA CA . 27201 1 247 . 1 1 432 432 ALA N N 15 131.423 0.171 . 1 . . 5725 . . 432 ALA N . 27201 1 248 . 1 1 433 433 ASP H H 1 8.798 0.012 . 1 . . 5785 . . 433 ASP H . 27201 1 249 . 1 1 433 433 ASP C C 13 174.845 0.029 . 1 . . 5788 . . 433 ASP C . 27201 1 250 . 1 1 433 433 ASP CA C 13 55.055 0.036 . 1 . . 5784 . . 433 ASP CA . 27201 1 251 . 1 1 433 433 ASP N N 15 122.250 . . 1 . . 5787 . . 433 ASP N . 27201 1 252 . 1 1 434 434 ALA H H 1 8.061 0.014 . 1 . . 5781 . . 434 ALA H . 27201 1 253 . 1 1 434 434 ALA C C 13 178.431 0.044 . 1 . . 5779 . . 434 ALA C . 27201 1 254 . 1 1 434 434 ALA CA C 13 53.350 . . 1 . . 5782 . . 434 ALA CA . 27201 1 255 . 1 1 434 434 ALA N N 15 121.050 . . 1 . . 5783 . . 434 ALA N . 27201 1 256 . 1 1 435 435 SER H H 1 8.763 0.007 . 1 . . 5778 . . 435 SER H . 27201 1 257 . 1 1 435 435 SER C C 13 174.731 . . 1 . . 5775 . . 435 SER C . 27201 1 258 . 1 1 435 435 SER CA C 13 59.240 0.042 . 1 . . 5776 . . 435 SER CA . 27201 1 259 . 1 1 435 435 SER N N 15 111.450 . . 1 . . 5777 . . 435 SER N . 27201 1 260 . 1 1 436 436 LYS H H 1 9.616 0.014 . 1 . . 5773 . . 436 LYS H . 27201 1 261 . 1 1 436 436 LYS C C 13 173.647 0.015 . 1 . . 5771 . . 436 LYS C . 27201 1 262 . 1 1 436 436 LYS CA C 13 57.468 0.066 . 1 . . 5772 . . 436 LYS CA . 27201 1 263 . 1 1 436 436 LYS N N 15 126.043 0.067 . 1 . . 5774 . . 436 LYS N . 27201 1 264 . 1 1 437 437 THR H H 1 7.457 0.005 . 1 . . 5721 . . 437 THR H . 27201 1 265 . 1 1 437 437 THR C C 13 174.114 0.05 . 1 . . 5722 . . 437 THR C . 27201 1 266 . 1 1 437 437 THR CA C 13 58.825 0.057 . 1 . . 5719 . . 437 THR CA . 27201 1 267 . 1 1 437 437 THR CB C 13 71.664 . . 1 . . 5798 . . 437 THR CB . 27201 1 268 . 1 1 437 437 THR N N 15 102.892 0.093 . 1 . . 5720 . . 437 THR N . 27201 1 269 . 1 1 438 438 GLY H H 1 8.482 0.006 . 1 . . 5717 . . 438 GLY H . 27201 1 270 . 1 1 438 438 GLY C C 13 172.600 0.001 . 1 . . 5769 . . 438 GLY C . 27201 1 271 . 1 1 438 438 GLY CA C 13 43.382 0.067 . 1 . . 5770 . . 438 GLY CA . 27201 1 272 . 1 1 438 438 GLY N N 15 107.392 0.149 . 1 . . 5718 . . 438 GLY N . 27201 1 273 . 1 1 439 439 ALA H H 1 8.495 0.019 . 1 . . 5768 . . 439 ALA H . 27201 1 274 . 1 1 439 439 ALA C C 13 179.176 0.054 . 1 . . 5765 . . 439 ALA C . 27201 1 275 . 1 1 439 439 ALA CA C 13 51.804 0.034 . 1 . . 5766 . . 439 ALA CA . 27201 1 276 . 1 1 439 439 ALA CB C 13 18.411 . . 1 . . 5835 . . 439 ALA CB . 27201 1 277 . 1 1 439 439 ALA N N 15 121.324 0.127 . 1 . . 5767 . . 439 ALA N . 27201 1 278 . 1 1 440 440 VAL H H 1 9.303 0.002 . 1 . . 5763 . . 440 VAL H . 27201 1 279 . 1 1 440 440 VAL C C 13 174.587 0.053 . 1 . . 5761 . . 440 VAL C . 27201 1 280 . 1 1 440 440 VAL CA C 13 58.664 . . 1 . . 5762 . . 440 VAL CA . 27201 1 281 . 1 1 440 440 VAL N N 15 118.174 0.083 . 1 . . 5764 . . 440 VAL N . 27201 1 282 . 1 1 441 441 THR H H 1 8.462 0.019 . 1 . . 5760 . . 441 THR H . 27201 1 283 . 1 1 441 441 THR C C 13 172.807 . . 1 . . 5758 . . 441 THR C . 27201 1 284 . 1 1 441 441 THR CA C 13 62.416 0.01 . 1 . . 5756 . . 441 THR CA . 27201 1 285 . 1 1 441 441 THR N N 15 118.612 0.061 . 1 . . 5759 . . 441 THR N . 27201 1 286 . 1 1 442 442 VAL H H 1 8.909 . . 1 . . 5755 . . 442 VAL H . 27201 1 287 . 1 1 442 442 VAL C C 13 173.831 . . 1 . . 5753 . . 442 VAL C . 27201 1 288 . 1 1 442 442 VAL CA C 13 61.500 . . 1 . . 5754 . . 442 VAL CA . 27201 1 289 . 1 1 442 442 VAL N N 15 128.108 . . 1 . . 5757 . . 442 VAL N . 27201 1 290 . 1 1 443 443 GLU H H 1 9.519 0.011 . 1 . . 5752 . . 443 GLU H . 27201 1 291 . 1 1 443 443 GLU C C 13 174.608 0.017 . 1 . . 5750 . . 443 GLU C . 27201 1 292 . 1 1 443 443 GLU CA C 13 53.871 0.029 . 1 . . 5749 . . 443 GLU CA . 27201 1 293 . 1 1 443 443 GLU N N 15 127.920 0.139 . 1 . . 5751 . . 443 GLU N . 27201 1 294 . 1 1 444 444 ALA H H 1 8.777 0.017 . 1 . . 5747 . . 444 ALA H . 27201 1 295 . 1 1 444 444 ALA C C 13 176.167 0.011 . 1 . . 5745 . . 444 ALA C . 27201 1 296 . 1 1 444 444 ALA CA C 13 48.800 0.0 . 1 . . 5746 . . 444 ALA CA . 27201 1 297 . 1 1 444 444 ALA N N 15 130.922 0.078 . 1 . . 5748 . . 444 ALA N . 27201 1 298 . 1 1 445 445 THR H H 1 8.285 0.026 . 1 . . 5741 . . 445 THR H . 27201 1 299 . 1 1 445 445 THR C C 13 173.760 0.04 . 1 . . 5738 . . 445 THR C . 27201 1 300 . 1 1 445 445 THR CA C 13 60.455 0.117 . 1 . . 5739 . . 445 THR CA . 27201 1 301 . 1 1 445 445 THR N N 15 116.187 0.121 . 1 . . 5740 . . 445 THR N . 27201 1 302 . 1 1 446 446 ALA H H 1 8.722 0.006 . 1 . . 5735 . . 446 ALA H . 27201 1 303 . 1 1 446 446 ALA C C 13 179.559 . . 1 . . 5742 . . 446 ALA C . 27201 1 304 . 1 1 446 446 ALA CA C 13 53.201 0.031 . 1 . . 5737 . . 446 ALA CA . 27201 1 305 . 1 1 446 446 ALA N N 15 128.067 0.114 . 1 . . 5736 . . 446 ALA N . 27201 1 306 . 1 1 447 447 LYS H H 1 8.036 . . 1 . . 6009 . . 447 LYS H . 27201 1 307 . 1 1 447 447 LYS C C 13 176.873 . . 1 . . 6010 . . 447 LYS C . 27201 1 308 . 1 1 447 447 LYS CA C 13 55.806 . . 1 . . 6008 . . 447 LYS CA . 27201 1 309 . 1 1 447 447 LYS N N 15 121.934 . . 1 . . 6007 . . 447 LYS N . 27201 1 310 . 1 1 448 448 ASP H H 1 8.241 . . 1 . . 5965 . . 448 ASP H . 27201 1 311 . 1 1 448 448 ASP C C 13 175.781 . . 1 . . 5968 . . 448 ASP C . 27201 1 312 . 1 1 448 448 ASP CA C 13 55.304 . . 1 . . 5966 . . 448 ASP CA . 27201 1 313 . 1 1 448 448 ASP N N 15 118.191 . . 1 . . 5967 . . 448 ASP N . 27201 1 314 . 1 1 449 449 GLY H H 1 7.700 . . 1 . . 6003 . . 449 GLY H . 27201 1 315 . 1 1 449 449 GLY C C 13 175.667 . . 1 . . 6006 . . 449 GLY C . 27201 1 316 . 1 1 449 449 GLY CA C 13 43.992 . . 1 . . 6004 . . 449 GLY CA . 27201 1 317 . 1 1 449 449 GLY N N 15 107.800 . . 1 . . 6005 . . 449 GLY N . 27201 1 318 . 1 1 451 451 GLY C C 13 173.332 . . 1 . . 5853 . . 451 GLY C . 27201 1 319 . 1 1 452 452 VAL H H 1 7.116 0.0 . 1 . . 5851 . . 452 VAL H . 27201 1 320 . 1 1 452 452 VAL CA C 13 63.469 . . 1 . . 5854 . . 452 VAL CA . 27201 1 321 . 1 1 452 452 VAL CB C 13 31.189 . . 1 . . 5855 . . 452 VAL CB . 27201 1 322 . 1 1 452 452 VAL N N 15 121.807 0.058 . 1 . . 5852 . . 452 VAL N . 27201 1 323 . 1 1 453 453 LYS H H 1 8.123 . . 1 . . 6017 . . 453 LYS H . 27201 1 324 . 1 1 453 453 LYS C C 13 176.851 0.019 . 1 . . 6016 . . 453 LYS C . 27201 1 325 . 1 1 453 453 LYS CA C 13 53.729 0.04 . 1 . . 6015 . . 453 LYS CA . 27201 1 326 . 1 1 453 453 LYS N N 15 123.113 . . 1 . . 6018 . . 453 LYS N . 27201 1 327 . 1 1 454 454 GLY H H 1 8.630 0.014 . 1 . . 6011 . . 454 GLY H . 27201 1 328 . 1 1 454 454 GLY C C 13 172.262 0.024 . 1 . . 6014 . . 454 GLY C . 27201 1 329 . 1 1 454 454 GLY CA C 13 44.502 . . 1 . . 6012 . . 454 GLY CA . 27201 1 330 . 1 1 454 454 GLY N N 15 107.781 0.045 . 1 . . 6013 . . 454 GLY N . 27201 1 331 . 1 1 455 455 THR H H 1 8.325 0.008 . 1 . . 5827 . . 455 THR H . 27201 1 332 . 1 1 455 455 THR C C 13 175.340 0.021 . 1 . . 6090 . . 455 THR C . 27201 1 333 . 1 1 455 455 THR CA C 13 59.112 0.062 . 1 . . 5829 . . 455 THR CA . 27201 1 334 . 1 1 455 455 THR CB C 13 73.886 . . 1 . . 5830 . . 455 THR CB . 27201 1 335 . 1 1 455 455 THR N N 15 109.225 0.125 . 1 . . 5828 . . 455 THR N . 27201 1 336 . 1 1 456 456 LYS H H 1 9.014 0.001 . 1 . . 5998 . . 456 LYS H . 27201 1 337 . 1 1 456 456 LYS C C 13 173.669 0.032 . 1 . . 6089 . . 456 LYS C . 27201 1 338 . 1 1 456 456 LYS CA C 13 56.681 0.026 . 1 . . 5999 . . 456 LYS CA . 27201 1 339 . 1 1 456 456 LYS N N 15 120.833 0.11 . 1 . . 6000 . . 456 LYS N . 27201 1 340 . 1 1 457 457 VAL H H 1 8.513 0.009 . 1 . . 5823 . . 457 VAL H . 27201 1 341 . 1 1 457 457 VAL C C 13 175.914 . . 1 . . 6002 . . 457 VAL C . 27201 1 342 . 1 1 457 457 VAL CA C 13 61.500 0.02 . 1 . . 5825 . . 457 VAL CA . 27201 1 343 . 1 1 457 457 VAL CB C 13 31.802 . . 1 . . 5826 . . 457 VAL CB . 27201 1 344 . 1 1 457 457 VAL N N 15 127.493 0.08 . 1 . . 5824 . . 457 VAL N . 27201 1 345 . 1 1 458 458 ILE C C 13 174.663 . . 1 . . 5850 . . 458 ILE C . 27201 1 346 . 1 1 459 459 THR H H 1 8.415 0.008 . 1 . . 5846 . . 459 THR H . 27201 1 347 . 1 1 459 459 THR C C 13 172.967 . . 1 . . 5997 . . 459 THR C . 27201 1 348 . 1 1 459 459 THR CA C 13 62.216 0.061 . 1 . . 5849 . . 459 THR CA . 27201 1 349 . 1 1 459 459 THR CB C 13 69.258 0.088 . 1 . . 5848 . . 459 THR CB . 27201 1 350 . 1 1 459 459 THR N N 15 122.072 0.026 . 1 . . 5847 . . 459 THR N . 27201 1 351 . 1 1 460 460 VAL H H 1 8.790 0.002 . 1 . . 5993 . . 460 VAL H . 27201 1 352 . 1 1 460 460 VAL C C 13 177.292 . . 1 . . 5996 . . 460 VAL C . 27201 1 353 . 1 1 460 460 VAL CA C 13 61.401 0.091 . 1 . . 5994 . . 460 VAL CA . 27201 1 354 . 1 1 460 460 VAL N N 15 129.926 0.094 . 1 . . 5995 . . 460 VAL N . 27201 1 355 . 1 1 461 461 THR H H 1 9.001 0.001 . 1 . . 6107 . . 461 THR H . 27201 1 356 . 1 1 461 461 THR C C 13 173.634 0.069 . 1 . . 6104 . . 461 THR C . 27201 1 357 . 1 1 461 461 THR CA C 13 59.075 0.025 . 1 . . 6105 . . 461 THR CA . 27201 1 358 . 1 1 461 461 THR CB C 13 70.429 . . 1 . . 6108 . . 461 THR CB . 27201 1 359 . 1 1 461 461 THR N N 15 121.635 0.017 . 1 . . 6106 . . 461 THR N . 27201 1 360 . 1 1 462 462 ALA H H 1 8.654 0.01 . 1 . . 5989 . . 462 ALA H . 27201 1 361 . 1 1 462 462 ALA C C 13 178.300 . . 1 . . 5992 . . 462 ALA C . 27201 1 362 . 1 1 462 462 ALA CA C 13 52.350 . . 1 . . 5990 . . 462 ALA CA . 27201 1 363 . 1 1 462 462 ALA CB C 13 18.334 . . 1 . . 6109 . . 462 ALA CB . 27201 1 364 . 1 1 462 462 ALA N N 15 122.714 0.141 . 1 . . 5991 . . 462 ALA N . 27201 1 stop_ save_