data_26732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26732 _Entry.Title ; Methyl 1H, 13C Chemical Shift Assignments for MAPK p38g ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-15 _Entry.Accession_date 2016-01-15 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Phillip Aoto . C. . . 26732 2 Peter Wright . E. . . 26732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 116 26732 '1H chemical shifts' 348 26732 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 . . 2017-01-09 2016-01-15 update BMRB 'update entry citation' 26732 1 . . 2016-07-14 2016-01-15 original author 'original release' 26732 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26733 'Backbone Assignments for MAPK p38g' 26732 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26732 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27353957 _Citation.Full_citation . _Citation.Title ; NMR Characterization of Information Flow and Allosteric Communities in the MAP Kinase p38\u03b3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 28655 _Citation.Page_last 28655 _Citation.Year 2016 _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 Phillip Aoto . C. . . 26732 1 2 Bryan Martin . T. . . 26732 1 3 Peter Wright . E. . . 26732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26732 _Assembly.ID 1 _Assembly.Name 'p38g monomer' _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 'p38g monomer' 1 $MAPK_p38g A . yes native no no . . . 26732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MAPK_p38g _Entity.Sf_category entity _Entity.Sf_framecode MAPK_p38g _Entity.Entry_ID 26732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MAPK_p38g _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSSPPPARSGFYRQEVTKTA WEVRAVYRDLQPVGSGAYGA VCSAVDGRTGAKVAIKKLYR PFQSELFAKRAYRELRLLKH MRHENVIGLLDVFTPDETLD DFTDFYLVMPFMGTDLGKLM KHEKLGEDRIQFLVYQMLKG LRYIHAAGIIHRDLKPGNLA VNEDCELKILDFGLARQADS EMTGYVVTRWYRAPEVILNW MRYTQTVDIWSVGCIMAEMI TGKTLFKGSDHLDQLKEIMK VTGTPPAEFVQRLQSDEAKN YMKGLPELEKKDFASILTNA SPLAVNLLEKMLVLDAEQRV TAGEALAHPYFESLHDTEDE PQVQKYDDSFDDVDRTLDEW KRVTYKEVLSFKPPRQLGAR VSKETPL ; _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 367 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 26732 1 2 . SER . 26732 1 3 . SER . 26732 1 4 . PRO . 26732 1 5 . PRO . 26732 1 6 . PRO . 26732 1 7 . ALA . 26732 1 8 . ARG . 26732 1 9 . SER . 26732 1 10 . GLY . 26732 1 11 . PHE . 26732 1 12 . TYR . 26732 1 13 . ARG . 26732 1 14 . GLN . 26732 1 15 . GLU . 26732 1 16 . VAL . 26732 1 17 . THR . 26732 1 18 . LYS . 26732 1 19 . THR . 26732 1 20 . ALA . 26732 1 21 . TRP . 26732 1 22 . GLU . 26732 1 23 . VAL . 26732 1 24 . ARG . 26732 1 25 . ALA . 26732 1 26 . VAL . 26732 1 27 . TYR . 26732 1 28 . ARG . 26732 1 29 . ASP . 26732 1 30 . LEU . 26732 1 31 . GLN . 26732 1 32 . PRO . 26732 1 33 . VAL . 26732 1 34 . GLY . 26732 1 35 . SER . 26732 1 36 . GLY . 26732 1 37 . ALA . 26732 1 38 . TYR . 26732 1 39 . GLY . 26732 1 40 . ALA . 26732 1 41 . VAL . 26732 1 42 . CYS . 26732 1 43 . SER . 26732 1 44 . ALA . 26732 1 45 . VAL . 26732 1 46 . ASP . 26732 1 47 . GLY . 26732 1 48 . ARG . 26732 1 49 . THR . 26732 1 50 . GLY . 26732 1 51 . ALA . 26732 1 52 . LYS . 26732 1 53 . VAL . 26732 1 54 . ALA . 26732 1 55 . ILE . 26732 1 56 . LYS . 26732 1 57 . LYS . 26732 1 58 . LEU . 26732 1 59 . TYR . 26732 1 60 . ARG . 26732 1 61 . PRO . 26732 1 62 . PHE . 26732 1 63 . GLN . 26732 1 64 . SER . 26732 1 65 . GLU . 26732 1 66 . LEU . 26732 1 67 . PHE . 26732 1 68 . ALA . 26732 1 69 . LYS . 26732 1 70 . ARG . 26732 1 71 . ALA . 26732 1 72 . TYR . 26732 1 73 . ARG . 26732 1 74 . GLU . 26732 1 75 . LEU . 26732 1 76 . ARG . 26732 1 77 . LEU . 26732 1 78 . LEU . 26732 1 79 . LYS . 26732 1 80 . HIS . 26732 1 81 . MET . 26732 1 82 . ARG . 26732 1 83 . HIS . 26732 1 84 . GLU . 26732 1 85 . ASN . 26732 1 86 . VAL . 26732 1 87 . ILE . 26732 1 88 . GLY . 26732 1 89 . LEU . 26732 1 90 . LEU . 26732 1 91 . ASP . 26732 1 92 . VAL . 26732 1 93 . PHE . 26732 1 94 . THR . 26732 1 95 . PRO . 26732 1 96 . ASP . 26732 1 97 . GLU . 26732 1 98 . THR . 26732 1 99 . LEU . 26732 1 100 . ASP . 26732 1 101 . ASP . 26732 1 102 . PHE . 26732 1 103 . THR . 26732 1 104 . ASP . 26732 1 105 . PHE . 26732 1 106 . TYR . 26732 1 107 . LEU . 26732 1 108 . VAL . 26732 1 109 . MET . 26732 1 110 . PRO . 26732 1 111 . PHE . 26732 1 112 . MET . 26732 1 113 . GLY . 26732 1 114 . THR . 26732 1 115 . ASP . 26732 1 116 . LEU . 26732 1 117 . GLY . 26732 1 118 . LYS . 26732 1 119 . LEU . 26732 1 120 . MET . 26732 1 121 . LYS . 26732 1 122 . HIS . 26732 1 123 . GLU . 26732 1 124 . LYS . 26732 1 125 . LEU . 26732 1 126 . GLY . 26732 1 127 . GLU . 26732 1 128 . ASP . 26732 1 129 . ARG . 26732 1 130 . ILE . 26732 1 131 . GLN . 26732 1 132 . PHE . 26732 1 133 . LEU . 26732 1 134 . VAL . 26732 1 135 . TYR . 26732 1 136 . GLN . 26732 1 137 . MET . 26732 1 138 . LEU . 26732 1 139 . LYS . 26732 1 140 . GLY . 26732 1 141 . LEU . 26732 1 142 . ARG . 26732 1 143 . TYR . 26732 1 144 . ILE . 26732 1 145 . HIS . 26732 1 146 . ALA . 26732 1 147 . ALA . 26732 1 148 . GLY . 26732 1 149 . ILE . 26732 1 150 . ILE . 26732 1 151 . HIS . 26732 1 152 . ARG . 26732 1 153 . ASP . 26732 1 154 . LEU . 26732 1 155 . LYS . 26732 1 156 . PRO . 26732 1 157 . GLY . 26732 1 158 . ASN . 26732 1 159 . LEU . 26732 1 160 . ALA . 26732 1 161 . VAL . 26732 1 162 . ASN . 26732 1 163 . GLU . 26732 1 164 . ASP . 26732 1 165 . CYS . 26732 1 166 . GLU . 26732 1 167 . LEU . 26732 1 168 . LYS . 26732 1 169 . ILE . 26732 1 170 . LEU . 26732 1 171 . ASP . 26732 1 172 . PHE . 26732 1 173 . GLY . 26732 1 174 . LEU . 26732 1 175 . ALA . 26732 1 176 . ARG . 26732 1 177 . GLN . 26732 1 178 . ALA . 26732 1 179 . ASP . 26732 1 180 . SER . 26732 1 181 . GLU . 26732 1 182 . MET . 26732 1 183 . THR . 26732 1 184 . GLY . 26732 1 185 . TYR . 26732 1 186 . VAL . 26732 1 187 . VAL . 26732 1 188 . THR . 26732 1 189 . ARG . 26732 1 190 . TRP . 26732 1 191 . TYR . 26732 1 192 . ARG . 26732 1 193 . ALA . 26732 1 194 . PRO . 26732 1 195 . GLU . 26732 1 196 . VAL . 26732 1 197 . ILE . 26732 1 198 . LEU . 26732 1 199 . ASN . 26732 1 200 . TRP . 26732 1 201 . MET . 26732 1 202 . ARG . 26732 1 203 . TYR . 26732 1 204 . THR . 26732 1 205 . GLN . 26732 1 206 . THR . 26732 1 207 . VAL . 26732 1 208 . ASP . 26732 1 209 . ILE . 26732 1 210 . TRP . 26732 1 211 . SER . 26732 1 212 . VAL . 26732 1 213 . GLY . 26732 1 214 . CYS . 26732 1 215 . ILE . 26732 1 216 . MET . 26732 1 217 . ALA . 26732 1 218 . GLU . 26732 1 219 . MET . 26732 1 220 . ILE . 26732 1 221 . THR . 26732 1 222 . GLY . 26732 1 223 . LYS . 26732 1 224 . THR . 26732 1 225 . LEU . 26732 1 226 . PHE . 26732 1 227 . LYS . 26732 1 228 . GLY . 26732 1 229 . SER . 26732 1 230 . ASP . 26732 1 231 . HIS . 26732 1 232 . LEU . 26732 1 233 . ASP . 26732 1 234 . GLN . 26732 1 235 . LEU . 26732 1 236 . LYS . 26732 1 237 . GLU . 26732 1 238 . ILE . 26732 1 239 . MET . 26732 1 240 . LYS . 26732 1 241 . VAL . 26732 1 242 . THR . 26732 1 243 . GLY . 26732 1 244 . THR . 26732 1 245 . PRO . 26732 1 246 . PRO . 26732 1 247 . ALA . 26732 1 248 . GLU . 26732 1 249 . PHE . 26732 1 250 . VAL . 26732 1 251 . GLN . 26732 1 252 . ARG . 26732 1 253 . LEU . 26732 1 254 . GLN . 26732 1 255 . SER . 26732 1 256 . ASP . 26732 1 257 . GLU . 26732 1 258 . ALA . 26732 1 259 . LYS . 26732 1 260 . ASN . 26732 1 261 . TYR . 26732 1 262 . MET . 26732 1 263 . LYS . 26732 1 264 . GLY . 26732 1 265 . LEU . 26732 1 266 . PRO . 26732 1 267 . GLU . 26732 1 268 . LEU . 26732 1 269 . GLU . 26732 1 270 . LYS . 26732 1 271 . LYS . 26732 1 272 . ASP . 26732 1 273 . PHE . 26732 1 274 . ALA . 26732 1 275 . SER . 26732 1 276 . ILE . 26732 1 277 . LEU . 26732 1 278 . THR . 26732 1 279 . ASN . 26732 1 280 . ALA . 26732 1 281 . SER . 26732 1 282 . PRO . 26732 1 283 . LEU . 26732 1 284 . ALA . 26732 1 285 . VAL . 26732 1 286 . ASN . 26732 1 287 . LEU . 26732 1 288 . LEU . 26732 1 289 . GLU . 26732 1 290 . LYS . 26732 1 291 . MET . 26732 1 292 . LEU . 26732 1 293 . VAL . 26732 1 294 . LEU . 26732 1 295 . ASP . 26732 1 296 . ALA . 26732 1 297 . GLU . 26732 1 298 . GLN . 26732 1 299 . ARG . 26732 1 300 . VAL . 26732 1 301 . THR . 26732 1 302 . ALA . 26732 1 303 . GLY . 26732 1 304 . GLU . 26732 1 305 . ALA . 26732 1 306 . LEU . 26732 1 307 . ALA . 26732 1 308 . HIS . 26732 1 309 . PRO . 26732 1 310 . TYR . 26732 1 311 . PHE . 26732 1 312 . GLU . 26732 1 313 . SER . 26732 1 314 . LEU . 26732 1 315 . HIS . 26732 1 316 . ASP . 26732 1 317 . THR . 26732 1 318 . GLU . 26732 1 319 . ASP . 26732 1 320 . GLU . 26732 1 321 . PRO . 26732 1 322 . GLN . 26732 1 323 . VAL . 26732 1 324 . GLN . 26732 1 325 . LYS . 26732 1 326 . TYR . 26732 1 327 . ASP . 26732 1 328 . ASP . 26732 1 329 . SER . 26732 1 330 . PHE . 26732 1 331 . ASP . 26732 1 332 . ASP . 26732 1 333 . VAL . 26732 1 334 . ASP . 26732 1 335 . ARG . 26732 1 336 . THR . 26732 1 337 . LEU . 26732 1 338 . ASP . 26732 1 339 . GLU . 26732 1 340 . TRP . 26732 1 341 . LYS . 26732 1 342 . ARG . 26732 1 343 . VAL . 26732 1 344 . THR . 26732 1 345 . TYR . 26732 1 346 . LYS . 26732 1 347 . GLU . 26732 1 348 . VAL . 26732 1 349 . LEU . 26732 1 350 . SER . 26732 1 351 . PHE . 26732 1 352 . LYS . 26732 1 353 . PRO . 26732 1 354 . PRO . 26732 1 355 . ARG . 26732 1 356 . GLN . 26732 1 357 . LEU . 26732 1 358 . GLY . 26732 1 359 . ALA . 26732 1 360 . ARG . 26732 1 361 . VAL . 26732 1 362 . SER . 26732 1 363 . LYS . 26732 1 364 . GLU . 26732 1 365 . THR . 26732 1 366 . PRO . 26732 1 367 . LEU . 26732 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 26732 1 . SER 2 2 26732 1 . SER 3 3 26732 1 . PRO 4 4 26732 1 . PRO 5 5 26732 1 . PRO 6 6 26732 1 . ALA 7 7 26732 1 . ARG 8 8 26732 1 . SER 9 9 26732 1 . GLY 10 10 26732 1 . PHE 11 11 26732 1 . TYR 12 12 26732 1 . ARG 13 13 26732 1 . GLN 14 14 26732 1 . GLU 15 15 26732 1 . VAL 16 16 26732 1 . THR 17 17 26732 1 . LYS 18 18 26732 1 . THR 19 19 26732 1 . ALA 20 20 26732 1 . TRP 21 21 26732 1 . GLU 22 22 26732 1 . VAL 23 23 26732 1 . ARG 24 24 26732 1 . ALA 25 25 26732 1 . VAL 26 26 26732 1 . TYR 27 27 26732 1 . ARG 28 28 26732 1 . ASP 29 29 26732 1 . LEU 30 30 26732 1 . GLN 31 31 26732 1 . PRO 32 32 26732 1 . VAL 33 33 26732 1 . GLY 34 34 26732 1 . SER 35 35 26732 1 . GLY 36 36 26732 1 . ALA 37 37 26732 1 . TYR 38 38 26732 1 . GLY 39 39 26732 1 . ALA 40 40 26732 1 . VAL 41 41 26732 1 . CYS 42 42 26732 1 . SER 43 43 26732 1 . ALA 44 44 26732 1 . VAL 45 45 26732 1 . ASP 46 46 26732 1 . GLY 47 47 26732 1 . ARG 48 48 26732 1 . THR 49 49 26732 1 . GLY 50 50 26732 1 . ALA 51 51 26732 1 . LYS 52 52 26732 1 . VAL 53 53 26732 1 . ALA 54 54 26732 1 . ILE 55 55 26732 1 . LYS 56 56 26732 1 . LYS 57 57 26732 1 . LEU 58 58 26732 1 . TYR 59 59 26732 1 . ARG 60 60 26732 1 . PRO 61 61 26732 1 . PHE 62 62 26732 1 . GLN 63 63 26732 1 . SER 64 64 26732 1 . GLU 65 65 26732 1 . LEU 66 66 26732 1 . PHE 67 67 26732 1 . ALA 68 68 26732 1 . LYS 69 69 26732 1 . ARG 70 70 26732 1 . ALA 71 71 26732 1 . TYR 72 72 26732 1 . ARG 73 73 26732 1 . GLU 74 74 26732 1 . LEU 75 75 26732 1 . ARG 76 76 26732 1 . LEU 77 77 26732 1 . LEU 78 78 26732 1 . LYS 79 79 26732 1 . HIS 80 80 26732 1 . MET 81 81 26732 1 . ARG 82 82 26732 1 . HIS 83 83 26732 1 . GLU 84 84 26732 1 . ASN 85 85 26732 1 . VAL 86 86 26732 1 . ILE 87 87 26732 1 . GLY 88 88 26732 1 . LEU 89 89 26732 1 . LEU 90 90 26732 1 . ASP 91 91 26732 1 . VAL 92 92 26732 1 . PHE 93 93 26732 1 . THR 94 94 26732 1 . PRO 95 95 26732 1 . ASP 96 96 26732 1 . GLU 97 97 26732 1 . THR 98 98 26732 1 . LEU 99 99 26732 1 . ASP 100 100 26732 1 . ASP 101 101 26732 1 . PHE 102 102 26732 1 . THR 103 103 26732 1 . ASP 104 104 26732 1 . PHE 105 105 26732 1 . TYR 106 106 26732 1 . LEU 107 107 26732 1 . VAL 108 108 26732 1 . MET 109 109 26732 1 . PRO 110 110 26732 1 . PHE 111 111 26732 1 . MET 112 112 26732 1 . GLY 113 113 26732 1 . THR 114 114 26732 1 . ASP 115 115 26732 1 . LEU 116 116 26732 1 . GLY 117 117 26732 1 . LYS 118 118 26732 1 . LEU 119 119 26732 1 . MET 120 120 26732 1 . LYS 121 121 26732 1 . HIS 122 122 26732 1 . GLU 123 123 26732 1 . LYS 124 124 26732 1 . LEU 125 125 26732 1 . GLY 126 126 26732 1 . GLU 127 127 26732 1 . ASP 128 128 26732 1 . ARG 129 129 26732 1 . ILE 130 130 26732 1 . GLN 131 131 26732 1 . PHE 132 132 26732 1 . LEU 133 133 26732 1 . VAL 134 134 26732 1 . TYR 135 135 26732 1 . GLN 136 136 26732 1 . MET 137 137 26732 1 . LEU 138 138 26732 1 . LYS 139 139 26732 1 . GLY 140 140 26732 1 . LEU 141 141 26732 1 . ARG 142 142 26732 1 . TYR 143 143 26732 1 . ILE 144 144 26732 1 . HIS 145 145 26732 1 . ALA 146 146 26732 1 . ALA 147 147 26732 1 . GLY 148 148 26732 1 . ILE 149 149 26732 1 . ILE 150 150 26732 1 . HIS 151 151 26732 1 . ARG 152 152 26732 1 . ASP 153 153 26732 1 . LEU 154 154 26732 1 . LYS 155 155 26732 1 . PRO 156 156 26732 1 . GLY 157 157 26732 1 . ASN 158 158 26732 1 . LEU 159 159 26732 1 . ALA 160 160 26732 1 . VAL 161 161 26732 1 . ASN 162 162 26732 1 . GLU 163 163 26732 1 . ASP 164 164 26732 1 . CYS 165 165 26732 1 . GLU 166 166 26732 1 . LEU 167 167 26732 1 . LYS 168 168 26732 1 . ILE 169 169 26732 1 . LEU 170 170 26732 1 . ASP 171 171 26732 1 . PHE 172 172 26732 1 . GLY 173 173 26732 1 . LEU 174 174 26732 1 . ALA 175 175 26732 1 . ARG 176 176 26732 1 . GLN 177 177 26732 1 . ALA 178 178 26732 1 . ASP 179 179 26732 1 . SER 180 180 26732 1 . GLU 181 181 26732 1 . MET 182 182 26732 1 . THR 183 183 26732 1 . GLY 184 184 26732 1 . TYR 185 185 26732 1 . VAL 186 186 26732 1 . VAL 187 187 26732 1 . THR 188 188 26732 1 . ARG 189 189 26732 1 . TRP 190 190 26732 1 . TYR 191 191 26732 1 . ARG 192 192 26732 1 . ALA 193 193 26732 1 . PRO 194 194 26732 1 . GLU 195 195 26732 1 . VAL 196 196 26732 1 . ILE 197 197 26732 1 . LEU 198 198 26732 1 . ASN 199 199 26732 1 . TRP 200 200 26732 1 . MET 201 201 26732 1 . ARG 202 202 26732 1 . TYR 203 203 26732 1 . THR 204 204 26732 1 . GLN 205 205 26732 1 . THR 206 206 26732 1 . VAL 207 207 26732 1 . ASP 208 208 26732 1 . ILE 209 209 26732 1 . TRP 210 210 26732 1 . SER 211 211 26732 1 . VAL 212 212 26732 1 . GLY 213 213 26732 1 . CYS 214 214 26732 1 . ILE 215 215 26732 1 . MET 216 216 26732 1 . ALA 217 217 26732 1 . GLU 218 218 26732 1 . MET 219 219 26732 1 . ILE 220 220 26732 1 . THR 221 221 26732 1 . GLY 222 222 26732 1 . LYS 223 223 26732 1 . THR 224 224 26732 1 . LEU 225 225 26732 1 . PHE 226 226 26732 1 . LYS 227 227 26732 1 . GLY 228 228 26732 1 . SER 229 229 26732 1 . ASP 230 230 26732 1 . HIS 231 231 26732 1 . LEU 232 232 26732 1 . ASP 233 233 26732 1 . GLN 234 234 26732 1 . LEU 235 235 26732 1 . LYS 236 236 26732 1 . GLU 237 237 26732 1 . ILE 238 238 26732 1 . MET 239 239 26732 1 . LYS 240 240 26732 1 . VAL 241 241 26732 1 . THR 242 242 26732 1 . GLY 243 243 26732 1 . THR 244 244 26732 1 . PRO 245 245 26732 1 . PRO 246 246 26732 1 . ALA 247 247 26732 1 . GLU 248 248 26732 1 . PHE 249 249 26732 1 . VAL 250 250 26732 1 . GLN 251 251 26732 1 . ARG 252 252 26732 1 . LEU 253 253 26732 1 . GLN 254 254 26732 1 . SER 255 255 26732 1 . ASP 256 256 26732 1 . GLU 257 257 26732 1 . ALA 258 258 26732 1 . LYS 259 259 26732 1 . ASN 260 260 26732 1 . TYR 261 261 26732 1 . MET 262 262 26732 1 . LYS 263 263 26732 1 . GLY 264 264 26732 1 . LEU 265 265 26732 1 . PRO 266 266 26732 1 . GLU 267 267 26732 1 . LEU 268 268 26732 1 . GLU 269 269 26732 1 . LYS 270 270 26732 1 . LYS 271 271 26732 1 . ASP 272 272 26732 1 . PHE 273 273 26732 1 . ALA 274 274 26732 1 . SER 275 275 26732 1 . ILE 276 276 26732 1 . LEU 277 277 26732 1 . THR 278 278 26732 1 . ASN 279 279 26732 1 . ALA 280 280 26732 1 . SER 281 281 26732 1 . PRO 282 282 26732 1 . LEU 283 283 26732 1 . ALA 284 284 26732 1 . VAL 285 285 26732 1 . ASN 286 286 26732 1 . LEU 287 287 26732 1 . LEU 288 288 26732 1 . GLU 289 289 26732 1 . LYS 290 290 26732 1 . MET 291 291 26732 1 . LEU 292 292 26732 1 . VAL 293 293 26732 1 . LEU 294 294 26732 1 . ASP 295 295 26732 1 . ALA 296 296 26732 1 . GLU 297 297 26732 1 . GLN 298 298 26732 1 . ARG 299 299 26732 1 . VAL 300 300 26732 1 . THR 301 301 26732 1 . ALA 302 302 26732 1 . GLY 303 303 26732 1 . GLU 304 304 26732 1 . ALA 305 305 26732 1 . LEU 306 306 26732 1 . ALA 307 307 26732 1 . HIS 308 308 26732 1 . PRO 309 309 26732 1 . TYR 310 310 26732 1 . PHE 311 311 26732 1 . GLU 312 312 26732 1 . SER 313 313 26732 1 . LEU 314 314 26732 1 . HIS 315 315 26732 1 . ASP 316 316 26732 1 . THR 317 317 26732 1 . GLU 318 318 26732 1 . ASP 319 319 26732 1 . GLU 320 320 26732 1 . PRO 321 321 26732 1 . GLN 322 322 26732 1 . VAL 323 323 26732 1 . GLN 324 324 26732 1 . LYS 325 325 26732 1 . TYR 326 326 26732 1 . ASP 327 327 26732 1 . ASP 328 328 26732 1 . SER 329 329 26732 1 . PHE 330 330 26732 1 . ASP 331 331 26732 1 . ASP 332 332 26732 1 . VAL 333 333 26732 1 . ASP 334 334 26732 1 . ARG 335 335 26732 1 . THR 336 336 26732 1 . LEU 337 337 26732 1 . ASP 338 338 26732 1 . GLU 339 339 26732 1 . TRP 340 340 26732 1 . LYS 341 341 26732 1 . ARG 342 342 26732 1 . VAL 343 343 26732 1 . THR 344 344 26732 1 . TYR 345 345 26732 1 . LYS 346 346 26732 1 . GLU 347 347 26732 1 . VAL 348 348 26732 1 . LEU 349 349 26732 1 . SER 350 350 26732 1 . PHE 351 351 26732 1 . LYS 352 352 26732 1 . PRO 353 353 26732 1 . PRO 354 354 26732 1 . ARG 355 355 26732 1 . GLN 356 356 26732 1 . LEU 357 357 26732 1 . GLY 358 358 26732 1 . ALA 359 359 26732 1 . ARG 360 360 26732 1 . VAL 361 361 26732 1 . SER 362 362 26732 1 . LYS 363 363 26732 1 . GLU 364 364 26732 1 . THR 365 365 26732 1 . PRO 366 366 26732 1 . LEU 367 367 26732 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 26732 _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 $MAPK_p38g . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26732 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 26732 _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 $MAPK_p38g . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet15b . . . 26732 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26732 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'MAPK p38g' '[U-95% 13C]' . . 1 $MAPK_p38g . . 300 . . uM . . . . 26732 1 2 HEPES [U-2H] . . . . . . 25 . . mM . . . . 26732 1 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 26732 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 26732 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26732 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'MAPK p38g' '[U-100% 13C; U-100% 15N; U-80% 2H; 1H,13C methyls]' . . 1 $MAPK_p38g . . 400 . . uM . . . . 26732 2 2 HEPES [U-2H] . . . . . . 25 . . mM . . . . 26732 2 3 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 26732 2 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 26732 2 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 26732 _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' 0.250 . M 26732 1 pH 7.2 . pH 26732 1 pressure 1 . atm 26732 1 temperature 293 . K 26732 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26732 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26732 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26732 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 26732 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26732 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26732 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26732 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26732 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26732 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26732 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26732 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26732 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26732 _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 spectrometer_1 Bruker Avance . 750 . . . 26732 1 2 spectrometer_2 Bruker Avance . 900 . . . 26732 1 3 spectrometer_3 Bruker Avance . 800 . . . 26732 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 26732 _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 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26732 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26732 1 3 '3D 1H-13C HMCMCGCB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 26732 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 26732 _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 0.00 na indirect 0.251449530 . . . . . 26732 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26732 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26732 _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 '2D 1H-13C HSQC' . . . 26732 1 3 '3D 1H-13C HMCMCGCB' . . . 26732 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.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 16 16 VAL HG11 H 1 0.6220 0.0000 . 2 . . . . 16 VAL HG11 . 26732 1 2 . 1 1 16 16 VAL HG12 H 1 0.6220 0.0000 . 2 . . . . 16 VAL HG11 . 26732 1 3 . 1 1 16 16 VAL HG13 H 1 0.6220 0.0000 . 2 . . . . 16 VAL HG11 . 26732 1 4 . 1 1 16 16 VAL HG21 H 1 0.3260 0.0000 . 2 . . . . 16 VAL HG21 . 26732 1 5 . 1 1 16 16 VAL HG22 H 1 0.3260 0.0000 . 2 . . . . 16 VAL HG21 . 26732 1 6 . 1 1 16 16 VAL HG23 H 1 0.3260 0.0000 . 2 . . . . 16 VAL HG21 . 26732 1 7 . 1 1 16 16 VAL CG1 C 13 21.6400 0.0000 . 2 . . . . 16 VAL CG1 . 26732 1 8 . 1 1 16 16 VAL CG2 C 13 19.8430 0.0000 . 2 . . . . 16 VAL CG2 . 26732 1 9 . 1 1 23 23 VAL HG11 H 1 1.0230 0.0000 . 2 . . . . 23 VAL HG11 . 26732 1 10 . 1 1 23 23 VAL HG12 H 1 1.0230 0.0000 . 2 . . . . 23 VAL HG11 . 26732 1 11 . 1 1 23 23 VAL HG13 H 1 1.0230 0.0000 . 2 . . . . 23 VAL HG11 . 26732 1 12 . 1 1 23 23 VAL HG21 H 1 0.6950 0.0000 . 2 . . . . 23 VAL HG21 . 26732 1 13 . 1 1 23 23 VAL HG22 H 1 0.6950 0.0000 . 2 . . . . 23 VAL HG21 . 26732 1 14 . 1 1 23 23 VAL HG23 H 1 0.6950 0.0000 . 2 . . . . 23 VAL HG21 . 26732 1 15 . 1 1 23 23 VAL CG1 C 13 22.7010 0.0000 . 2 . . . . 23 VAL CG1 . 26732 1 16 . 1 1 23 23 VAL CG2 C 13 19.1120 0.0000 . 2 . . . . 23 VAL CG2 . 26732 1 17 . 1 1 26 26 VAL HG11 H 1 0.4690 0.0000 . 2 . . . . 26 VAL HG11 . 26732 1 18 . 1 1 26 26 VAL HG12 H 1 0.4690 0.0000 . 2 . . . . 26 VAL HG11 . 26732 1 19 . 1 1 26 26 VAL HG13 H 1 0.4690 0.0000 . 2 . . . . 26 VAL HG11 . 26732 1 20 . 1 1 26 26 VAL HG21 H 1 0.0970 0.0000 . 2 . . . . 26 VAL HG21 . 26732 1 21 . 1 1 26 26 VAL HG22 H 1 0.0970 0.0000 . 2 . . . . 26 VAL HG21 . 26732 1 22 . 1 1 26 26 VAL HG23 H 1 0.0970 0.0000 . 2 . . . . 26 VAL HG21 . 26732 1 23 . 1 1 26 26 VAL CG1 C 13 20.4540 0.0000 . 2 . . . . 26 VAL CG1 . 26732 1 24 . 1 1 26 26 VAL CG2 C 13 18.4260 0.0000 . 2 . . . . 26 VAL CG2 . 26732 1 25 . 1 1 30 30 LEU HD11 H 1 0.6560 0.0000 . 2 . . . . 30 LEU HD11 . 26732 1 26 . 1 1 30 30 LEU HD12 H 1 0.6560 0.0000 . 2 . . . . 30 LEU HD11 . 26732 1 27 . 1 1 30 30 LEU HD13 H 1 0.6560 0.0000 . 2 . . . . 30 LEU HD11 . 26732 1 28 . 1 1 30 30 LEU HD21 H 1 0.5400 0.0000 . 2 . . . . 30 LEU HD21 . 26732 1 29 . 1 1 30 30 LEU HD22 H 1 0.5400 0.0000 . 2 . . . . 30 LEU HD21 . 26732 1 30 . 1 1 30 30 LEU HD23 H 1 0.5400 0.0000 . 2 . . . . 30 LEU HD21 . 26732 1 31 . 1 1 30 30 LEU CD1 C 13 25.1740 0.0000 . 2 . . . . 30 LEU CD1 . 26732 1 32 . 1 1 30 30 LEU CD2 C 13 24.3440 0.0000 . 2 . . . . 30 LEU CD2 . 26732 1 33 . 1 1 33 33 VAL HG11 H 1 0.9350 0.0000 . 2 . . . . 33 VAL HG11 . 26732 1 34 . 1 1 33 33 VAL HG12 H 1 0.9350 0.0000 . 2 . . . . 33 VAL HG11 . 26732 1 35 . 1 1 33 33 VAL HG13 H 1 0.9350 0.0000 . 2 . . . . 33 VAL HG11 . 26732 1 36 . 1 1 33 33 VAL CG1 C 13 21.1530 0.0000 . 2 . . . . 33 VAL CG1 . 26732 1 37 . 1 1 41 41 VAL HG11 H 1 0.6610 0.0000 . 2 . . . . 41 VAL HG11 . 26732 1 38 . 1 1 41 41 VAL HG12 H 1 0.6610 0.0000 . 2 . . . . 41 VAL HG11 . 26732 1 39 . 1 1 41 41 VAL HG13 H 1 0.6610 0.0000 . 2 . . . . 41 VAL HG11 . 26732 1 40 . 1 1 41 41 VAL HG21 H 1 0.8670 0.0000 . 2 . . . . 41 VAL HG21 . 26732 1 41 . 1 1 41 41 VAL HG22 H 1 0.8670 0.0000 . 2 . . . . 41 VAL HG21 . 26732 1 42 . 1 1 41 41 VAL HG23 H 1 0.8670 0.0000 . 2 . . . . 41 VAL HG21 . 26732 1 43 . 1 1 41 41 VAL CG1 C 13 20.5130 0.0000 . 2 . . . . 41 VAL CG1 . 26732 1 44 . 1 1 41 41 VAL CG2 C 13 21.9270 0.0000 . 2 . . . . 41 VAL CG2 . 26732 1 45 . 1 1 45 45 VAL HG11 H 1 0.9140 0.0000 . 2 . . . . 45 VAL HG11 . 26732 1 46 . 1 1 45 45 VAL HG12 H 1 0.9140 0.0000 . 2 . . . . 45 VAL HG11 . 26732 1 47 . 1 1 45 45 VAL HG13 H 1 0.9140 0.0000 . 2 . . . . 45 VAL HG11 . 26732 1 48 . 1 1 45 45 VAL HG21 H 1 0.8850 0.0000 . 2 . . . . 45 VAL HG21 . 26732 1 49 . 1 1 45 45 VAL HG22 H 1 0.8850 0.0000 . 2 . . . . 45 VAL HG21 . 26732 1 50 . 1 1 45 45 VAL HG23 H 1 0.8850 0.0000 . 2 . . . . 45 VAL HG21 . 26732 1 51 . 1 1 45 45 VAL CG1 C 13 21.9080 0.0000 . 2 . . . . 45 VAL CG1 . 26732 1 52 . 1 1 45 45 VAL CG2 C 13 21.6800 0.0000 . 2 . . . . 45 VAL CG2 . 26732 1 53 . 1 1 53 53 VAL HG11 H 1 0.8320 0.0000 . 2 . . . . 53 VAL HG11 . 26732 1 54 . 1 1 53 53 VAL HG12 H 1 0.8320 0.0000 . 2 . . . . 53 VAL HG11 . 26732 1 55 . 1 1 53 53 VAL HG13 H 1 0.8320 0.0000 . 2 . . . . 53 VAL HG11 . 26732 1 56 . 1 1 53 53 VAL HG21 H 1 0.4960 0.0000 . 2 . . . . 53 VAL HG21 . 26732 1 57 . 1 1 53 53 VAL HG22 H 1 0.4960 0.0000 . 2 . . . . 53 VAL HG21 . 26732 1 58 . 1 1 53 53 VAL HG23 H 1 0.4960 0.0000 . 2 . . . . 53 VAL HG21 . 26732 1 59 . 1 1 53 53 VAL CG1 C 13 22.3590 0.0000 . 2 . . . . 53 VAL CG1 . 26732 1 60 . 1 1 53 53 VAL CG2 C 13 18.4680 0.0000 . 2 . . . . 53 VAL CG2 . 26732 1 61 . 1 1 55 55 ILE HD11 H 1 0.3790 0.0000 . 1 . . . . 55 ILE HD11 . 26732 1 62 . 1 1 55 55 ILE HD12 H 1 0.3790 0.0000 . 1 . . . . 55 ILE HD11 . 26732 1 63 . 1 1 55 55 ILE HD13 H 1 0.3790 0.0000 . 1 . . . . 55 ILE HD11 . 26732 1 64 . 1 1 55 55 ILE CD1 C 13 13.3050 0.0000 . 1 . . . . 55 ILE CD1 . 26732 1 65 . 1 1 58 58 LEU HD11 H 1 0.4720 0.0000 . 2 . . . . 58 LEU HD11 . 26732 1 66 . 1 1 58 58 LEU HD12 H 1 0.4720 0.0000 . 2 . . . . 58 LEU HD11 . 26732 1 67 . 1 1 58 58 LEU HD13 H 1 0.4720 0.0000 . 2 . . . . 58 LEU HD11 . 26732 1 68 . 1 1 58 58 LEU HD21 H 1 0.3400 0.0000 . 2 . . . . 58 LEU HD21 . 26732 1 69 . 1 1 58 58 LEU HD22 H 1 0.3400 0.0000 . 2 . . . . 58 LEU HD21 . 26732 1 70 . 1 1 58 58 LEU HD23 H 1 0.3400 0.0000 . 2 . . . . 58 LEU HD21 . 26732 1 71 . 1 1 58 58 LEU CD1 C 13 24.1010 0.0000 . 2 . . . . 58 LEU CD1 . 26732 1 72 . 1 1 58 58 LEU CD2 C 13 23.6320 0.0000 . 2 . . . . 58 LEU CD2 . 26732 1 73 . 1 1 66 66 LEU HD21 H 1 0.8560 0.0000 . 2 . . . . 66 LEU HD21 . 26732 1 74 . 1 1 66 66 LEU HD22 H 1 0.8560 0.0000 . 2 . . . . 66 LEU HD21 . 26732 1 75 . 1 1 66 66 LEU HD23 H 1 0.8560 0.0000 . 2 . . . . 66 LEU HD21 . 26732 1 76 . 1 1 66 66 LEU CD2 C 13 24.3480 0.0000 . 2 . . . . 66 LEU CD2 . 26732 1 77 . 1 1 75 75 LEU HD11 H 1 0.3160 0.0000 . 2 . . . . 75 LEU HD11 . 26732 1 78 . 1 1 75 75 LEU HD12 H 1 0.3160 0.0000 . 2 . . . . 75 LEU HD11 . 26732 1 79 . 1 1 75 75 LEU HD13 H 1 0.3160 0.0000 . 2 . . . . 75 LEU HD11 . 26732 1 80 . 1 1 75 75 LEU HD21 H 1 0.5350 0.0000 . 2 . . . . 75 LEU HD21 . 26732 1 81 . 1 1 75 75 LEU HD22 H 1 0.5350 0.0000 . 2 . . . . 75 LEU HD21 . 26732 1 82 . 1 1 75 75 LEU HD23 H 1 0.5350 0.0000 . 2 . . . . 75 LEU HD21 . 26732 1 83 . 1 1 75 75 LEU CD1 C 13 24.2870 0.0000 . 2 . . . . 75 LEU CD1 . 26732 1 84 . 1 1 75 75 LEU CD2 C 13 22.2590 0.0000 . 2 . . . . 75 LEU CD2 . 26732 1 85 . 1 1 77 77 LEU HD11 H 1 0.0040 0.0000 . 2 . . . . 77 LEU HD11 . 26732 1 86 . 1 1 77 77 LEU HD12 H 1 0.0040 0.0000 . 2 . . . . 77 LEU HD11 . 26732 1 87 . 1 1 77 77 LEU HD13 H 1 0.0040 0.0000 . 2 . . . . 77 LEU HD11 . 26732 1 88 . 1 1 77 77 LEU CD1 C 13 22.8740 0.0000 . 2 . . . . 77 LEU CD1 . 26732 1 89 . 1 1 78 78 LEU HD21 H 1 0.5390 0.0000 . 2 . . . . 78 LEU HD21 . 26732 1 90 . 1 1 78 78 LEU HD22 H 1 0.5390 0.0000 . 2 . . . . 78 LEU HD21 . 26732 1 91 . 1 1 78 78 LEU HD23 H 1 0.5390 0.0000 . 2 . . . . 78 LEU HD21 . 26732 1 92 . 1 1 78 78 LEU CD2 C 13 22.5650 0.0000 . 2 . . . . 78 LEU CD2 . 26732 1 93 . 1 1 81 81 MET HE1 H 1 1.8430 0.0000 . 1 . . . . 81 MET HE1 . 26732 1 94 . 1 1 81 81 MET HE2 H 1 1.8430 0.0000 . 1 . . . . 81 MET HE1 . 26732 1 95 . 1 1 81 81 MET HE3 H 1 1.8430 0.0000 . 1 . . . . 81 MET HE1 . 26732 1 96 . 1 1 81 81 MET CE C 13 18.7180 0.0000 . 1 . . . . 81 MET CE . 26732 1 97 . 1 1 86 86 VAL HG21 H 1 0.8350 0.0000 . 2 . . . . 86 VAL HG21 . 26732 1 98 . 1 1 86 86 VAL HG22 H 1 0.8350 0.0000 . 2 . . . . 86 VAL HG21 . 26732 1 99 . 1 1 86 86 VAL HG23 H 1 0.8350 0.0000 . 2 . . . . 86 VAL HG21 . 26732 1 100 . 1 1 86 86 VAL CG2 C 13 21.2830 0.0000 . 2 . . . . 86 VAL CG2 . 26732 1 101 . 1 1 87 87 ILE HD11 H 1 1.0170 0.0000 . 1 . . . . 87 ILE HD11 . 26732 1 102 . 1 1 87 87 ILE HD12 H 1 1.0170 0.0000 . 1 . . . . 87 ILE HD11 . 26732 1 103 . 1 1 87 87 ILE HD13 H 1 1.0170 0.0000 . 1 . . . . 87 ILE HD11 . 26732 1 104 . 1 1 87 87 ILE CD1 C 13 15.0600 0.0000 . 1 . . . . 87 ILE CD1 . 26732 1 105 . 1 1 89 89 LEU HD21 H 1 0.7260 0.0000 . 2 . . . . 89 LEU HD21 . 26732 1 106 . 1 1 89 89 LEU HD22 H 1 0.7260 0.0000 . 2 . . . . 89 LEU HD21 . 26732 1 107 . 1 1 89 89 LEU HD23 H 1 0.7260 0.0000 . 2 . . . . 89 LEU HD21 . 26732 1 108 . 1 1 89 89 LEU CD2 C 13 25.2300 0.0000 . 2 . . . . 89 LEU CD2 . 26732 1 109 . 1 1 90 90 LEU HD11 H 1 0.9190 0.0000 . 2 . . . . 90 LEU HD11 . 26732 1 110 . 1 1 90 90 LEU HD12 H 1 0.9190 0.0000 . 2 . . . . 90 LEU HD11 . 26732 1 111 . 1 1 90 90 LEU HD13 H 1 0.9190 0.0000 . 2 . . . . 90 LEU HD11 . 26732 1 112 . 1 1 90 90 LEU CD1 C 13 24.4220 0.0000 . 2 . . . . 90 LEU CD1 . 26732 1 113 . 1 1 92 92 VAL HG11 H 1 0.9090 0.0000 . 2 . . . . 92 VAL HG11 . 26732 1 114 . 1 1 92 92 VAL HG12 H 1 0.9090 0.0000 . 2 . . . . 92 VAL HG11 . 26732 1 115 . 1 1 92 92 VAL HG13 H 1 0.9090 0.0000 . 2 . . . . 92 VAL HG11 . 26732 1 116 . 1 1 92 92 VAL CG1 C 13 20.3800 0.0000 . 2 . . . . 92 VAL CG1 . 26732 1 117 . 1 1 107 107 LEU HD11 H 1 0.6330 0.0000 . 2 . . . . 107 LEU HD11 . 26732 1 118 . 1 1 107 107 LEU HD12 H 1 0.6330 0.0000 . 2 . . . . 107 LEU HD11 . 26732 1 119 . 1 1 107 107 LEU HD13 H 1 0.6330 0.0000 . 2 . . . . 107 LEU HD11 . 26732 1 120 . 1 1 107 107 LEU HD21 H 1 0.8250 0.0000 . 2 . . . . 107 LEU HD21 . 26732 1 121 . 1 1 107 107 LEU HD22 H 1 0.8250 0.0000 . 2 . . . . 107 LEU HD21 . 26732 1 122 . 1 1 107 107 LEU HD23 H 1 0.8250 0.0000 . 2 . . . . 107 LEU HD21 . 26732 1 123 . 1 1 107 107 LEU CD1 C 13 23.1110 0.0000 . 2 . . . . 107 LEU CD1 . 26732 1 124 . 1 1 107 107 LEU CD2 C 13 25.8310 0.0000 . 2 . . . . 107 LEU CD2 . 26732 1 125 . 1 1 109 109 MET HE1 H 1 1.9110 0.0000 . 1 . . . . 109 MET HE1 . 26732 1 126 . 1 1 109 109 MET HE2 H 1 1.9110 0.0000 . 1 . . . . 109 MET HE1 . 26732 1 127 . 1 1 109 109 MET HE3 H 1 1.9110 0.0000 . 1 . . . . 109 MET HE1 . 26732 1 128 . 1 1 109 109 MET CE C 13 17.1650 0.0000 . 1 . . . . 109 MET CE . 26732 1 129 . 1 1 112 112 MET HE1 H 1 1.7390 0.0000 . 1 . . . . 112 MET HE1 . 26732 1 130 . 1 1 112 112 MET HE2 H 1 1.7390 0.0000 . 1 . . . . 112 MET HE1 . 26732 1 131 . 1 1 112 112 MET HE3 H 1 1.7390 0.0000 . 1 . . . . 112 MET HE1 . 26732 1 132 . 1 1 112 112 MET CE C 13 17.7470 0.0000 . 1 . . . . 112 MET CE . 26732 1 133 . 1 1 116 116 LEU HD11 H 1 0.9660 0.0000 . 2 . . . . 116 LEU HD11 . 26732 1 134 . 1 1 116 116 LEU HD12 H 1 0.9660 0.0000 . 2 . . . . 116 LEU HD11 . 26732 1 135 . 1 1 116 116 LEU HD13 H 1 0.9660 0.0000 . 2 . . . . 116 LEU HD11 . 26732 1 136 . 1 1 116 116 LEU HD21 H 1 0.7700 0.0000 . 2 . . . . 116 LEU HD21 . 26732 1 137 . 1 1 116 116 LEU HD22 H 1 0.7700 0.0000 . 2 . . . . 116 LEU HD21 . 26732 1 138 . 1 1 116 116 LEU HD23 H 1 0.7700 0.0000 . 2 . . . . 116 LEU HD21 . 26732 1 139 . 1 1 116 116 LEU CD1 C 13 24.9640 0.0000 . 2 . . . . 116 LEU CD1 . 26732 1 140 . 1 1 116 116 LEU CD2 C 13 25.2070 0.0000 . 2 . . . . 116 LEU CD2 . 26732 1 141 . 1 1 119 119 LEU HD11 H 1 0.6530 0.0000 . 2 . . . . 119 LEU HD11 . 26732 1 142 . 1 1 119 119 LEU HD12 H 1 0.6530 0.0000 . 2 . . . . 119 LEU HD11 . 26732 1 143 . 1 1 119 119 LEU HD13 H 1 0.6530 0.0000 . 2 . . . . 119 LEU HD11 . 26732 1 144 . 1 1 119 119 LEU HD21 H 1 0.5400 0.0000 . 2 . . . . 119 LEU HD21 . 26732 1 145 . 1 1 119 119 LEU HD22 H 1 0.5400 0.0000 . 2 . . . . 119 LEU HD21 . 26732 1 146 . 1 1 119 119 LEU HD23 H 1 0.5400 0.0000 . 2 . . . . 119 LEU HD21 . 26732 1 147 . 1 1 119 119 LEU CD1 C 13 25.0300 0.0000 . 2 . . . . 119 LEU CD1 . 26732 1 148 . 1 1 119 119 LEU CD2 C 13 24.4430 0.0000 . 2 . . . . 119 LEU CD2 . 26732 1 149 . 1 1 120 120 MET HE1 H 1 1.9050 0.0000 . 1 . . . . 120 MET HE1 . 26732 1 150 . 1 1 120 120 MET HE2 H 1 1.9050 0.0000 . 1 . . . . 120 MET HE1 . 26732 1 151 . 1 1 120 120 MET HE3 H 1 1.9050 0.0000 . 1 . . . . 120 MET HE1 . 26732 1 152 . 1 1 120 120 MET CE C 13 16.1040 0.0000 . 1 . . . . 120 MET CE . 26732 1 153 . 1 1 125 125 LEU HD11 H 1 0.8300 0.0000 . 2 . . . . 125 LEU HD11 . 26732 1 154 . 1 1 125 125 LEU HD12 H 1 0.8300 0.0000 . 2 . . . . 125 LEU HD11 . 26732 1 155 . 1 1 125 125 LEU HD13 H 1 0.8300 0.0000 . 2 . . . . 125 LEU HD11 . 26732 1 156 . 1 1 125 125 LEU CD1 C 13 26.2560 0.0000 . 2 . . . . 125 LEU CD1 . 26732 1 157 . 1 1 130 130 ILE HD11 H 1 0.7180 0.0000 . 1 . . . . 130 ILE HD11 . 26732 1 158 . 1 1 130 130 ILE HD12 H 1 0.7180 0.0000 . 1 . . . . 130 ILE HD11 . 26732 1 159 . 1 1 130 130 ILE HD13 H 1 0.7180 0.0000 . 1 . . . . 130 ILE HD11 . 26732 1 160 . 1 1 130 130 ILE CD1 C 13 13.8850 0.0000 . 1 . . . . 130 ILE CD1 . 26732 1 161 . 1 1 134 134 VAL HG21 H 1 0.9090 0.0000 . 2 . . . . 134 VAL HG21 . 26732 1 162 . 1 1 134 134 VAL HG22 H 1 0.9090 0.0000 . 2 . . . . 134 VAL HG21 . 26732 1 163 . 1 1 134 134 VAL HG23 H 1 0.9090 0.0000 . 2 . . . . 134 VAL HG21 . 26732 1 164 . 1 1 134 134 VAL CG2 C 13 20.2610 0.0000 . 2 . . . . 134 VAL CG2 . 26732 1 165 . 1 1 137 137 MET HE1 H 1 1.7940 0.0000 . 1 . . . . 137 MET HE1 . 26732 1 166 . 1 1 137 137 MET HE2 H 1 1.7940 0.0000 . 1 . . . . 137 MET HE1 . 26732 1 167 . 1 1 137 137 MET HE3 H 1 1.7940 0.0000 . 1 . . . . 137 MET HE1 . 26732 1 168 . 1 1 137 137 MET CE C 13 17.5050 0.0000 . 1 . . . . 137 MET CE . 26732 1 169 . 1 1 141 141 LEU HD11 H 1 0.5270 0.0000 . 2 . . . . 141 LEU HD11 . 26732 1 170 . 1 1 141 141 LEU HD12 H 1 0.5270 0.0000 . 2 . . . . 141 LEU HD11 . 26732 1 171 . 1 1 141 141 LEU HD13 H 1 0.5270 0.0000 . 2 . . . . 141 LEU HD11 . 26732 1 172 . 1 1 141 141 LEU CD1 C 13 25.7650 0.0000 . 2 . . . . 141 LEU CD1 . 26732 1 173 . 1 1 144 144 ILE HD11 H 1 0.6680 0.0000 . 1 . . . . 144 ILE HD11 . 26732 1 174 . 1 1 144 144 ILE HD12 H 1 0.6680 0.0000 . 1 . . . . 144 ILE HD11 . 26732 1 175 . 1 1 144 144 ILE HD13 H 1 0.6680 0.0000 . 1 . . . . 144 ILE HD11 . 26732 1 176 . 1 1 144 144 ILE CD1 C 13 14.5270 0.0000 . 1 . . . . 144 ILE CD1 . 26732 1 177 . 1 1 149 149 ILE HD11 H 1 0.5890 0.0000 . 1 . . . . 149 ILE HD11 . 26732 1 178 . 1 1 149 149 ILE HD12 H 1 0.5890 0.0000 . 1 . . . . 149 ILE HD11 . 26732 1 179 . 1 1 149 149 ILE HD13 H 1 0.5890 0.0000 . 1 . . . . 149 ILE HD11 . 26732 1 180 . 1 1 149 149 ILE CD1 C 13 11.6550 0.0000 . 1 . . . . 149 ILE CD1 . 26732 1 181 . 1 1 150 150 ILE HD11 H 1 0.8100 0.0000 . 1 . . . . 150 ILE HD11 . 26732 1 182 . 1 1 150 150 ILE HD12 H 1 0.8100 0.0000 . 1 . . . . 150 ILE HD11 . 26732 1 183 . 1 1 150 150 ILE HD13 H 1 0.8100 0.0000 . 1 . . . . 150 ILE HD11 . 26732 1 184 . 1 1 150 150 ILE CD1 C 13 13.7290 0.0000 . 1 . . . . 150 ILE CD1 . 26732 1 185 . 1 1 154 154 LEU HD21 H 1 0.8120 0.0000 . 2 . . . . 154 LEU HD21 . 26732 1 186 . 1 1 154 154 LEU HD22 H 1 0.8120 0.0000 . 2 . . . . 154 LEU HD21 . 26732 1 187 . 1 1 154 154 LEU HD23 H 1 0.8120 0.0000 . 2 . . . . 154 LEU HD21 . 26732 1 188 . 1 1 154 154 LEU CD2 C 13 27.0650 0.0000 . 2 . . . . 154 LEU CD2 . 26732 1 189 . 1 1 159 159 LEU HD11 H 1 0.8220 0.0000 . 2 . . . . 159 LEU HD11 . 26732 1 190 . 1 1 159 159 LEU HD12 H 1 0.8220 0.0000 . 2 . . . . 159 LEU HD11 . 26732 1 191 . 1 1 159 159 LEU HD13 H 1 0.8220 0.0000 . 2 . . . . 159 LEU HD11 . 26732 1 192 . 1 1 159 159 LEU CD1 C 13 27.9970 0.0000 . 2 . . . . 159 LEU CD1 . 26732 1 193 . 1 1 161 161 VAL HG11 H 1 0.8300 0.0000 . 2 . . . . 161 VAL HG11 . 26732 1 194 . 1 1 161 161 VAL HG12 H 1 0.8300 0.0000 . 2 . . . . 161 VAL HG11 . 26732 1 195 . 1 1 161 161 VAL HG13 H 1 0.8300 0.0000 . 2 . . . . 161 VAL HG11 . 26732 1 196 . 1 1 161 161 VAL HG21 H 1 0.6190 0.0000 . 2 . . . . 161 VAL HG21 . 26732 1 197 . 1 1 161 161 VAL HG22 H 1 0.6190 0.0000 . 2 . . . . 161 VAL HG21 . 26732 1 198 . 1 1 161 161 VAL HG23 H 1 0.6190 0.0000 . 2 . . . . 161 VAL HG21 . 26732 1 199 . 1 1 161 161 VAL CG1 C 13 22.4810 0.0000 . 2 . . . . 161 VAL CG1 . 26732 1 200 . 1 1 161 161 VAL CG2 C 13 20.8530 0.0000 . 2 . . . . 161 VAL CG2 . 26732 1 201 . 1 1 167 167 LEU HD11 H 1 0.8300 0.0000 . 2 . . . . 167 LEU HD11 . 26732 1 202 . 1 1 167 167 LEU HD12 H 1 0.8300 0.0000 . 2 . . . . 167 LEU HD11 . 26732 1 203 . 1 1 167 167 LEU HD13 H 1 0.8300 0.0000 . 2 . . . . 167 LEU HD11 . 26732 1 204 . 1 1 167 167 LEU HD21 H 1 0.5610 0.0000 . 2 . . . . 167 LEU HD21 . 26732 1 205 . 1 1 167 167 LEU HD22 H 1 0.5610 0.0000 . 2 . . . . 167 LEU HD21 . 26732 1 206 . 1 1 167 167 LEU HD23 H 1 0.5610 0.0000 . 2 . . . . 167 LEU HD21 . 26732 1 207 . 1 1 167 167 LEU CD1 C 13 28.0360 0.0000 . 2 . . . . 167 LEU CD1 . 26732 1 208 . 1 1 167 167 LEU CD2 C 13 24.3550 0.0000 . 2 . . . . 167 LEU CD2 . 26732 1 209 . 1 1 169 169 ILE HD11 H 1 0.8320 0.0000 . 1 . . . . 169 ILE HD11 . 26732 1 210 . 1 1 169 169 ILE HD12 H 1 0.8320 0.0000 . 1 . . . . 169 ILE HD11 . 26732 1 211 . 1 1 169 169 ILE HD13 H 1 0.8320 0.0000 . 1 . . . . 169 ILE HD11 . 26732 1 212 . 1 1 169 169 ILE CD1 C 13 14.0150 0.0000 . 1 . . . . 169 ILE CD1 . 26732 1 213 . 1 1 170 170 LEU HD11 H 1 0.8320 0.0000 . 2 . . . . 170 LEU HD11 . 26732 1 214 . 1 1 170 170 LEU HD12 H 1 0.8320 0.0000 . 2 . . . . 170 LEU HD11 . 26732 1 215 . 1 1 170 170 LEU HD13 H 1 0.8320 0.0000 . 2 . . . . 170 LEU HD11 . 26732 1 216 . 1 1 170 170 LEU HD21 H 1 0.8720 0.0000 . 2 . . . . 170 LEU HD21 . 26732 1 217 . 1 1 170 170 LEU HD22 H 1 0.8720 0.0000 . 2 . . . . 170 LEU HD21 . 26732 1 218 . 1 1 170 170 LEU HD23 H 1 0.8720 0.0000 . 2 . . . . 170 LEU HD21 . 26732 1 219 . 1 1 170 170 LEU CD1 C 13 24.1270 0.0000 . 2 . . . . 170 LEU CD1 . 26732 1 220 . 1 1 170 170 LEU CD2 C 13 25.7690 0.0000 . 2 . . . . 170 LEU CD2 . 26732 1 221 . 1 1 174 174 LEU HD11 H 1 0.5170 0.0000 . 2 . . . . 174 LEU HD11 . 26732 1 222 . 1 1 174 174 LEU HD12 H 1 0.5170 0.0000 . 2 . . . . 174 LEU HD11 . 26732 1 223 . 1 1 174 174 LEU HD13 H 1 0.5170 0.0000 . 2 . . . . 174 LEU HD11 . 26732 1 224 . 1 1 174 174 LEU CD1 C 13 26.7120 0.0000 . 2 . . . . 174 LEU CD1 . 26732 1 225 . 1 1 182 182 MET HE1 H 1 1.9510 0.0000 . 1 . . . . 182 MET HE1 . 26732 1 226 . 1 1 182 182 MET HE2 H 1 1.9510 0.0000 . 1 . . . . 182 MET HE1 . 26732 1 227 . 1 1 182 182 MET HE3 H 1 1.9510 0.0000 . 1 . . . . 182 MET HE1 . 26732 1 228 . 1 1 182 182 MET CE C 13 17.1240 0.0000 . 1 . . . . 182 MET CE . 26732 1 229 . 1 1 186 186 VAL HG11 H 1 0.8000 0.0000 . 2 . . . . 186 VAL HG11 . 26732 1 230 . 1 1 186 186 VAL HG12 H 1 0.8000 0.0000 . 2 . . . . 186 VAL HG11 . 26732 1 231 . 1 1 186 186 VAL HG13 H 1 0.8000 0.0000 . 2 . . . . 186 VAL HG11 . 26732 1 232 . 1 1 186 186 VAL HG21 H 1 0.9170 0.0000 . 2 . . . . 186 VAL HG21 . 26732 1 233 . 1 1 186 186 VAL HG22 H 1 0.9170 0.0000 . 2 . . . . 186 VAL HG21 . 26732 1 234 . 1 1 186 186 VAL HG23 H 1 0.9170 0.0000 . 2 . . . . 186 VAL HG21 . 26732 1 235 . 1 1 186 186 VAL CG1 C 13 21.0080 0.0000 . 2 . . . . 186 VAL CG1 . 26732 1 236 . 1 1 186 186 VAL CG2 C 13 21.0450 0.0000 . 2 . . . . 186 VAL CG2 . 26732 1 237 . 1 1 187 187 VAL HG11 H 1 0.8120 0.0000 . 2 . . . . 187 VAL HG11 . 26732 1 238 . 1 1 187 187 VAL HG12 H 1 0.8120 0.0000 . 2 . . . . 187 VAL HG11 . 26732 1 239 . 1 1 187 187 VAL HG13 H 1 0.8120 0.0000 . 2 . . . . 187 VAL HG11 . 26732 1 240 . 1 1 187 187 VAL HG21 H 1 0.8940 0.0000 . 2 . . . . 187 VAL HG21 . 26732 1 241 . 1 1 187 187 VAL HG22 H 1 0.8940 0.0000 . 2 . . . . 187 VAL HG21 . 26732 1 242 . 1 1 187 187 VAL HG23 H 1 0.8940 0.0000 . 2 . . . . 187 VAL HG21 . 26732 1 243 . 1 1 187 187 VAL CG1 C 13 20.9720 0.0000 . 2 . . . . 187 VAL CG1 . 26732 1 244 . 1 1 187 187 VAL CG2 C 13 20.6930 0.0000 . 2 . . . . 187 VAL CG2 . 26732 1 245 . 1 1 197 197 ILE HD11 H 1 0.6740 0.0000 . 1 . . . . 197 ILE HD11 . 26732 1 246 . 1 1 197 197 ILE HD12 H 1 0.6740 0.0000 . 1 . . . . 197 ILE HD11 . 26732 1 247 . 1 1 197 197 ILE HD13 H 1 0.6740 0.0000 . 1 . . . . 197 ILE HD11 . 26732 1 248 . 1 1 197 197 ILE CD1 C 13 13.8130 0.0000 . 1 . . . . 197 ILE CD1 . 26732 1 249 . 1 1 198 198 LEU HD11 H 1 0.7610 0.0000 . 2 . . . . 198 LEU HD11 . 26732 1 250 . 1 1 198 198 LEU HD12 H 1 0.7610 0.0000 . 2 . . . . 198 LEU HD11 . 26732 1 251 . 1 1 198 198 LEU HD13 H 1 0.7610 0.0000 . 2 . . . . 198 LEU HD11 . 26732 1 252 . 1 1 198 198 LEU CD1 C 13 24.6720 0.0000 . 2 . . . . 198 LEU CD1 . 26732 1 253 . 1 1 209 209 ILE HD11 H 1 0.6670 0.0000 . 1 . . . . 209 ILE HD11 . 26732 1 254 . 1 1 209 209 ILE HD12 H 1 0.6670 0.0000 . 1 . . . . 209 ILE HD11 . 26732 1 255 . 1 1 209 209 ILE HD13 H 1 0.6670 0.0000 . 1 . . . . 209 ILE HD11 . 26732 1 256 . 1 1 209 209 ILE CD1 C 13 8.5200 0.0000 . 1 . . . . 209 ILE CD1 . 26732 1 257 . 1 1 212 212 VAL HG11 H 1 1.1930 0.0000 . 2 . . . . 212 VAL HG11 . 26732 1 258 . 1 1 212 212 VAL HG12 H 1 1.1930 0.0000 . 2 . . . . 212 VAL HG11 . 26732 1 259 . 1 1 212 212 VAL HG13 H 1 1.1930 0.0000 . 2 . . . . 212 VAL HG11 . 26732 1 260 . 1 1 212 212 VAL HG21 H 1 1.1460 0.0000 . 2 . . . . 212 VAL HG21 . 26732 1 261 . 1 1 212 212 VAL HG22 H 1 1.1460 0.0000 . 2 . . . . 212 VAL HG21 . 26732 1 262 . 1 1 212 212 VAL HG23 H 1 1.1460 0.0000 . 2 . . . . 212 VAL HG21 . 26732 1 263 . 1 1 212 212 VAL CG1 C 13 21.8880 0.0000 . 2 . . . . 212 VAL CG1 . 26732 1 264 . 1 1 212 212 VAL CG2 C 13 23.1100 0.0000 . 2 . . . . 212 VAL CG2 . 26732 1 265 . 1 1 215 215 ILE HD11 H 1 0.2760 0.0000 . 1 . . . . 215 ILE HD11 . 26732 1 266 . 1 1 215 215 ILE HD12 H 1 0.2760 0.0000 . 1 . . . . 215 ILE HD11 . 26732 1 267 . 1 1 215 215 ILE HD13 H 1 0.2760 0.0000 . 1 . . . . 215 ILE HD11 . 26732 1 268 . 1 1 215 215 ILE CD1 C 13 13.1160 0.0000 . 1 . . . . 215 ILE CD1 . 26732 1 269 . 1 1 216 216 MET HE1 H 1 1.5320 0.0000 . 1 . . . . 216 MET HE1 . 26732 1 270 . 1 1 216 216 MET HE2 H 1 1.5320 0.0000 . 1 . . . . 216 MET HE1 . 26732 1 271 . 1 1 216 216 MET HE3 H 1 1.5320 0.0000 . 1 . . . . 216 MET HE1 . 26732 1 272 . 1 1 216 216 MET CE C 13 18.3460 0.0000 . 1 . . . . 216 MET CE . 26732 1 273 . 1 1 219 219 MET HE1 H 1 2.0140 0.0000 . 1 . . . . 219 MET HE1 . 26732 1 274 . 1 1 219 219 MET HE2 H 1 2.0140 0.0000 . 1 . . . . 219 MET HE1 . 26732 1 275 . 1 1 219 219 MET HE3 H 1 2.0140 0.0000 . 1 . . . . 219 MET HE1 . 26732 1 276 . 1 1 219 219 MET CE C 13 19.0890 0.0000 . 1 . . . . 219 MET CE . 26732 1 277 . 1 1 220 220 ILE HD11 H 1 0.7270 0.0000 . 1 . . . . 220 ILE HD11 . 26732 1 278 . 1 1 220 220 ILE HD12 H 1 0.7270 0.0000 . 1 . . . . 220 ILE HD11 . 26732 1 279 . 1 1 220 220 ILE HD13 H 1 0.7270 0.0000 . 1 . . . . 220 ILE HD11 . 26732 1 280 . 1 1 220 220 ILE CD1 C 13 14.8300 0.0000 . 1 . . . . 220 ILE CD1 . 26732 1 281 . 1 1 225 225 LEU HD11 H 1 0.3620 0.0000 . 2 . . . . 225 LEU HD11 . 26732 1 282 . 1 1 225 225 LEU HD12 H 1 0.3620 0.0000 . 2 . . . . 225 LEU HD11 . 26732 1 283 . 1 1 225 225 LEU HD13 H 1 0.3620 0.0000 . 2 . . . . 225 LEU HD11 . 26732 1 284 . 1 1 225 225 LEU HD21 H 1 0.1910 0.0000 . 2 . . . . 225 LEU HD21 . 26732 1 285 . 1 1 225 225 LEU HD22 H 1 0.1910 0.0000 . 2 . . . . 225 LEU HD21 . 26732 1 286 . 1 1 225 225 LEU HD23 H 1 0.1910 0.0000 . 2 . . . . 225 LEU HD21 . 26732 1 287 . 1 1 225 225 LEU CD1 C 13 22.4290 0.0000 . 2 . . . . 225 LEU CD1 . 26732 1 288 . 1 1 225 225 LEU CD2 C 13 27.5510 0.0000 . 2 . . . . 225 LEU CD2 . 26732 1 289 . 1 1 238 238 ILE HD11 H 1 0.5880 0.0000 . 1 . . . . 238 ILE HD11 . 26732 1 290 . 1 1 238 238 ILE HD12 H 1 0.5880 0.0000 . 1 . . . . 238 ILE HD11 . 26732 1 291 . 1 1 238 238 ILE HD13 H 1 0.5880 0.0000 . 1 . . . . 238 ILE HD11 . 26732 1 292 . 1 1 238 238 ILE CD1 C 13 13.7490 0.0000 . 1 . . . . 238 ILE CD1 . 26732 1 293 . 1 1 239 239 MET HE1 H 1 2.0130 0.0000 . 1 . . . . 239 MET HE1 . 26732 1 294 . 1 1 239 239 MET HE2 H 1 2.0130 0.0000 . 1 . . . . 239 MET HE1 . 26732 1 295 . 1 1 239 239 MET HE3 H 1 2.0130 0.0000 . 1 . . . . 239 MET HE1 . 26732 1 296 . 1 1 239 239 MET CE C 13 17.5200 0.0000 . 1 . . . . 239 MET CE . 26732 1 297 . 1 1 241 241 VAL HG11 H 1 0.7660 0.0000 . 2 . . . . 241 VAL HG11 . 26732 1 298 . 1 1 241 241 VAL HG12 H 1 0.7660 0.0000 . 2 . . . . 241 VAL HG11 . 26732 1 299 . 1 1 241 241 VAL HG13 H 1 0.7660 0.0000 . 2 . . . . 241 VAL HG11 . 26732 1 300 . 1 1 241 241 VAL HG21 H 1 1.0620 0.0000 . 2 . . . . 241 VAL HG21 . 26732 1 301 . 1 1 241 241 VAL HG22 H 1 1.0620 0.0000 . 2 . . . . 241 VAL HG21 . 26732 1 302 . 1 1 241 241 VAL HG23 H 1 1.0620 0.0000 . 2 . . . . 241 VAL HG21 . 26732 1 303 . 1 1 241 241 VAL CG1 C 13 21.8520 0.0000 . 2 . . . . 241 VAL CG1 . 26732 1 304 . 1 1 241 241 VAL CG2 C 13 23.1000 0.0000 . 2 . . . . 241 VAL CG2 . 26732 1 305 . 1 1 250 250 VAL HG11 H 1 0.9410 0.0000 . 2 . . . . 250 VAL HG11 . 26732 1 306 . 1 1 250 250 VAL HG12 H 1 0.9410 0.0000 . 2 . . . . 250 VAL HG11 . 26732 1 307 . 1 1 250 250 VAL HG13 H 1 0.9410 0.0000 . 2 . . . . 250 VAL HG11 . 26732 1 308 . 1 1 250 250 VAL HG21 H 1 1.0370 0.0000 . 2 . . . . 250 VAL HG21 . 26732 1 309 . 1 1 250 250 VAL HG22 H 1 1.0370 0.0000 . 2 . . . . 250 VAL HG21 . 26732 1 310 . 1 1 250 250 VAL HG23 H 1 1.0370 0.0000 . 2 . . . . 250 VAL HG21 . 26732 1 311 . 1 1 250 250 VAL CG1 C 13 21.9050 0.0000 . 2 . . . . 250 VAL CG1 . 26732 1 312 . 1 1 250 250 VAL CG2 C 13 23.3480 0.0000 . 2 . . . . 250 VAL CG2 . 26732 1 313 . 1 1 253 253 LEU HD11 H 1 0.6910 0.0000 . 2 . . . . 253 LEU HD11 . 26732 1 314 . 1 1 253 253 LEU HD12 H 1 0.6910 0.0000 . 2 . . . . 253 LEU HD11 . 26732 1 315 . 1 1 253 253 LEU HD13 H 1 0.6910 0.0000 . 2 . . . . 253 LEU HD11 . 26732 1 316 . 1 1 253 253 LEU CD1 C 13 23.2500 0.0000 . 2 . . . . 253 LEU CD1 . 26732 1 317 . 1 1 262 262 MET HE1 H 1 2.0740 0.0000 . 1 . . . . 262 MET HE1 . 26732 1 318 . 1 1 262 262 MET HE2 H 1 2.0740 0.0000 . 1 . . . . 262 MET HE1 . 26732 1 319 . 1 1 262 262 MET HE3 H 1 2.0740 0.0000 . 1 . . . . 262 MET HE1 . 26732 1 320 . 1 1 262 262 MET CE C 13 17.5970 0.0000 . 1 . . . . 262 MET CE . 26732 1 321 . 1 1 265 265 LEU HD21 H 1 0.7000 0.0000 . 2 . . . . 265 LEU HD21 . 26732 1 322 . 1 1 265 265 LEU HD22 H 1 0.7000 0.0000 . 2 . . . . 265 LEU HD21 . 26732 1 323 . 1 1 265 265 LEU HD23 H 1 0.7000 0.0000 . 2 . . . . 265 LEU HD21 . 26732 1 324 . 1 1 268 268 LEU HD21 H 1 0.7800 0.0000 . 2 . . . . 268 LEU HD21 . 26732 1 325 . 1 1 268 268 LEU HD22 H 1 0.7800 0.0000 . 2 . . . . 268 LEU HD21 . 26732 1 326 . 1 1 268 268 LEU HD23 H 1 0.7800 0.0000 . 2 . . . . 268 LEU HD21 . 26732 1 327 . 1 1 268 268 LEU CD2 C 13 25.8670 0.0000 . 2 . . . . 268 LEU CD2 . 26732 1 328 . 1 1 276 276 ILE HD11 H 1 0.5820 0.0000 . 1 . . . . 276 ILE HD11 . 26732 1 329 . 1 1 276 276 ILE HD12 H 1 0.5820 0.0000 . 1 . . . . 276 ILE HD11 . 26732 1 330 . 1 1 276 276 ILE HD13 H 1 0.5820 0.0000 . 1 . . . . 276 ILE HD11 . 26732 1 331 . 1 1 276 276 ILE CD1 C 13 13.7540 0.0000 . 1 . . . . 276 ILE CD1 . 26732 1 332 . 1 1 277 277 LEU HD11 H 1 0.7560 0.0000 . 2 . . . . 277 LEU HD11 . 26732 1 333 . 1 1 277 277 LEU HD12 H 1 0.7560 0.0000 . 2 . . . . 277 LEU HD11 . 26732 1 334 . 1 1 277 277 LEU HD13 H 1 0.7560 0.0000 . 2 . . . . 277 LEU HD11 . 26732 1 335 . 1 1 277 277 LEU HD21 H 1 0.6640 0.0000 . 2 . . . . 277 LEU HD21 . 26732 1 336 . 1 1 277 277 LEU HD22 H 1 0.6640 0.0000 . 2 . . . . 277 LEU HD21 . 26732 1 337 . 1 1 277 277 LEU HD23 H 1 0.6640 0.0000 . 2 . . . . 277 LEU HD21 . 26732 1 338 . 1 1 277 277 LEU CD1 C 13 27.4010 0.0000 . 2 . . . . 277 LEU CD1 . 26732 1 339 . 1 1 277 277 LEU CD2 C 13 24.0280 0.0000 . 2 . . . . 277 LEU CD2 . 26732 1 340 . 1 1 283 283 LEU HD21 H 1 0.3740 0.0000 . 2 . . . . 283 LEU HD21 . 26732 1 341 . 1 1 283 283 LEU HD22 H 1 0.3740 0.0000 . 2 . . . . 283 LEU HD21 . 26732 1 342 . 1 1 283 283 LEU HD23 H 1 0.3740 0.0000 . 2 . . . . 283 LEU HD21 . 26732 1 343 . 1 1 283 283 LEU CD2 C 13 24.8380 0.0000 . 2 . . . . 283 LEU CD2 . 26732 1 344 . 1 1 285 285 VAL HG11 H 1 0.9170 0.0000 . 2 . . . . 285 VAL HG11 . 26732 1 345 . 1 1 285 285 VAL HG12 H 1 0.9170 0.0000 . 2 . . . . 285 VAL HG11 . 26732 1 346 . 1 1 285 285 VAL HG13 H 1 0.9170 0.0000 . 2 . . . . 285 VAL HG11 . 26732 1 347 . 1 1 285 285 VAL HG21 H 1 0.9740 0.0000 . 2 . . . . 285 VAL HG21 . 26732 1 348 . 1 1 285 285 VAL HG22 H 1 0.9740 0.0000 . 2 . . . . 285 VAL HG21 . 26732 1 349 . 1 1 285 285 VAL HG23 H 1 0.9740 0.0000 . 2 . . . . 285 VAL HG21 . 26732 1 350 . 1 1 285 285 VAL CG1 C 13 22.4260 0.0000 . 2 . . . . 285 VAL CG1 . 26732 1 351 . 1 1 285 285 VAL CG2 C 13 24.0000 0.0000 . 2 . . . . 285 VAL CG2 . 26732 1 352 . 1 1 287 287 LEU HD11 H 1 0.7430 0.0000 . 2 . . . . 287 LEU HD11 . 26732 1 353 . 1 1 287 287 LEU HD12 H 1 0.7430 0.0000 . 2 . . . . 287 LEU HD11 . 26732 1 354 . 1 1 287 287 LEU HD13 H 1 0.7430 0.0000 . 2 . . . . 287 LEU HD11 . 26732 1 355 . 1 1 287 287 LEU HD21 H 1 0.4960 0.0000 . 2 . . . . 287 LEU HD21 . 26732 1 356 . 1 1 287 287 LEU HD22 H 1 0.4960 0.0000 . 2 . . . . 287 LEU HD21 . 26732 1 357 . 1 1 287 287 LEU HD23 H 1 0.4960 0.0000 . 2 . . . . 287 LEU HD21 . 26732 1 358 . 1 1 287 287 LEU CD1 C 13 22.0750 0.0000 . 2 . . . . 287 LEU CD1 . 26732 1 359 . 1 1 287 287 LEU CD2 C 13 27.5310 0.0000 . 2 . . . . 287 LEU CD2 . 26732 1 360 . 1 1 288 288 LEU HD11 H 1 0.3940 0.0000 . 2 . . . . 288 LEU HD11 . 26732 1 361 . 1 1 288 288 LEU HD12 H 1 0.3940 0.0000 . 2 . . . . 288 LEU HD11 . 26732 1 362 . 1 1 288 288 LEU HD13 H 1 0.3940 0.0000 . 2 . . . . 288 LEU HD11 . 26732 1 363 . 1 1 288 288 LEU HD21 H 1 -0.1970 0.0000 . 2 . . . . 288 LEU HD21 . 26732 1 364 . 1 1 288 288 LEU HD22 H 1 -0.1970 0.0000 . 2 . . . . 288 LEU HD21 . 26732 1 365 . 1 1 288 288 LEU HD23 H 1 -0.1970 0.0000 . 2 . . . . 288 LEU HD21 . 26732 1 366 . 1 1 288 288 LEU CD1 C 13 26.1580 0.0000 . 2 . . . . 288 LEU CD1 . 26732 1 367 . 1 1 288 288 LEU CD2 C 13 23.1450 0.0000 . 2 . . . . 288 LEU CD2 . 26732 1 368 . 1 1 291 291 MET HE1 H 1 1.9120 0.0000 . 1 . . . . 291 MET HE1 . 26732 1 369 . 1 1 291 291 MET HE2 H 1 1.9120 0.0000 . 1 . . . . 291 MET HE1 . 26732 1 370 . 1 1 291 291 MET HE3 H 1 1.9120 0.0000 . 1 . . . . 291 MET HE1 . 26732 1 371 . 1 1 291 291 MET CE C 13 18.3040 0.0000 . 1 . . . . 291 MET CE . 26732 1 372 . 1 1 292 292 LEU HD11 H 1 0.6680 0.0000 . 2 . . . . 292 LEU HD11 . 26732 1 373 . 1 1 292 292 LEU HD12 H 1 0.6680 0.0000 . 2 . . . . 292 LEU HD11 . 26732 1 374 . 1 1 292 292 LEU HD13 H 1 0.6680 0.0000 . 2 . . . . 292 LEU HD11 . 26732 1 375 . 1 1 292 292 LEU HD21 H 1 0.7730 0.0000 . 2 . . . . 292 LEU HD21 . 26732 1 376 . 1 1 292 292 LEU HD22 H 1 0.7730 0.0000 . 2 . . . . 292 LEU HD21 . 26732 1 377 . 1 1 292 292 LEU HD23 H 1 0.7730 0.0000 . 2 . . . . 292 LEU HD21 . 26732 1 378 . 1 1 292 292 LEU CD1 C 13 26.9040 0.0000 . 2 . . . . 292 LEU CD1 . 26732 1 379 . 1 1 292 292 LEU CD2 C 13 22.4890 0.0000 . 2 . . . . 292 LEU CD2 . 26732 1 380 . 1 1 293 293 VAL HG11 H 1 1.0810 0.0000 . 2 . . . . 293 VAL HG11 . 26732 1 381 . 1 1 293 293 VAL HG12 H 1 1.0810 0.0000 . 2 . . . . 293 VAL HG11 . 26732 1 382 . 1 1 293 293 VAL HG13 H 1 1.0810 0.0000 . 2 . . . . 293 VAL HG11 . 26732 1 383 . 1 1 293 293 VAL HG21 H 1 0.9030 0.0000 . 2 . . . . 293 VAL HG21 . 26732 1 384 . 1 1 293 293 VAL HG22 H 1 0.9030 0.0000 . 2 . . . . 293 VAL HG21 . 26732 1 385 . 1 1 293 293 VAL HG23 H 1 0.9030 0.0000 . 2 . . . . 293 VAL HG21 . 26732 1 386 . 1 1 293 293 VAL CG1 C 13 22.5180 0.0000 . 2 . . . . 293 VAL CG1 . 26732 1 387 . 1 1 293 293 VAL CG2 C 13 19.9450 0.0000 . 2 . . . . 293 VAL CG2 . 26732 1 388 . 1 1 294 294 LEU HD11 H 1 0.6020 0.0000 . 2 . . . . 294 LEU HD11 . 26732 1 389 . 1 1 294 294 LEU HD12 H 1 0.6020 0.0000 . 2 . . . . 294 LEU HD11 . 26732 1 390 . 1 1 294 294 LEU HD13 H 1 0.6020 0.0000 . 2 . . . . 294 LEU HD11 . 26732 1 391 . 1 1 294 294 LEU HD21 H 1 0.3640 0.0000 . 2 . . . . 294 LEU HD21 . 26732 1 392 . 1 1 294 294 LEU HD22 H 1 0.3640 0.0000 . 2 . . . . 294 LEU HD21 . 26732 1 393 . 1 1 294 294 LEU HD23 H 1 0.3640 0.0000 . 2 . . . . 294 LEU HD21 . 26732 1 394 . 1 1 294 294 LEU CD1 C 13 24.5410 0.0000 . 2 . . . . 294 LEU CD1 . 26732 1 395 . 1 1 294 294 LEU CD2 C 13 21.6570 0.0000 . 2 . . . . 294 LEU CD2 . 26732 1 396 . 1 1 300 300 VAL HG11 H 1 0.8610 0.0000 . 2 . . . . 300 VAL HG11 . 26732 1 397 . 1 1 300 300 VAL HG12 H 1 0.8610 0.0000 . 2 . . . . 300 VAL HG11 . 26732 1 398 . 1 1 300 300 VAL HG13 H 1 0.8610 0.0000 . 2 . . . . 300 VAL HG11 . 26732 1 399 . 1 1 300 300 VAL HG21 H 1 0.7870 0.0000 . 2 . . . . 300 VAL HG21 . 26732 1 400 . 1 1 300 300 VAL HG22 H 1 0.7870 0.0000 . 2 . . . . 300 VAL HG21 . 26732 1 401 . 1 1 300 300 VAL HG23 H 1 0.7870 0.0000 . 2 . . . . 300 VAL HG21 . 26732 1 402 . 1 1 300 300 VAL CG1 C 13 20.5150 0.0000 . 2 . . . . 300 VAL CG1 . 26732 1 403 . 1 1 300 300 VAL CG2 C 13 21.0230 0.0000 . 2 . . . . 300 VAL CG2 . 26732 1 404 . 1 1 314 314 LEU CD2 C 13 22.8950 0.0000 . 2 . . . . 314 LEU CD2 . 26732 1 405 . 1 1 323 323 VAL HG11 H 1 0.4600 0.0000 . 2 . . . . 323 VAL HG11 . 26732 1 406 . 1 1 323 323 VAL HG12 H 1 0.4600 0.0000 . 2 . . . . 323 VAL HG11 . 26732 1 407 . 1 1 323 323 VAL HG13 H 1 0.4600 0.0000 . 2 . . . . 323 VAL HG11 . 26732 1 408 . 1 1 323 323 VAL HG21 H 1 1.0580 0.0000 . 2 . . . . 323 VAL HG21 . 26732 1 409 . 1 1 323 323 VAL HG22 H 1 1.0580 0.0000 . 2 . . . . 323 VAL HG21 . 26732 1 410 . 1 1 323 323 VAL HG23 H 1 1.0580 0.0000 . 2 . . . . 323 VAL HG21 . 26732 1 411 . 1 1 323 323 VAL CG1 C 13 19.3950 0.0000 . 2 . . . . 323 VAL CG1 . 26732 1 412 . 1 1 323 323 VAL CG2 C 13 23.1870 0.0000 . 2 . . . . 323 VAL CG2 . 26732 1 413 . 1 1 333 333 VAL HG11 H 1 0.8390 0.0000 . 2 . . . . 333 VAL HG11 . 26732 1 414 . 1 1 333 333 VAL HG12 H 1 0.8390 0.0000 . 2 . . . . 333 VAL HG11 . 26732 1 415 . 1 1 333 333 VAL HG13 H 1 0.8390 0.0000 . 2 . . . . 333 VAL HG11 . 26732 1 416 . 1 1 333 333 VAL HG21 H 1 0.8920 0.0000 . 2 . . . . 333 VAL HG21 . 26732 1 417 . 1 1 333 333 VAL HG22 H 1 0.8920 0.0000 . 2 . . . . 333 VAL HG21 . 26732 1 418 . 1 1 333 333 VAL HG23 H 1 0.8920 0.0000 . 2 . . . . 333 VAL HG21 . 26732 1 419 . 1 1 333 333 VAL CG1 C 13 21.1510 0.0000 . 2 . . . . 333 VAL CG1 . 26732 1 420 . 1 1 333 333 VAL CG2 C 13 20.9630 0.0000 . 2 . . . . 333 VAL CG2 . 26732 1 421 . 1 1 337 337 LEU HD11 H 1 0.9910 0.0000 . 2 . . . . 337 LEU HD11 . 26732 1 422 . 1 1 337 337 LEU HD12 H 1 0.9910 0.0000 . 2 . . . . 337 LEU HD11 . 26732 1 423 . 1 1 337 337 LEU HD13 H 1 0.9910 0.0000 . 2 . . . . 337 LEU HD11 . 26732 1 424 . 1 1 337 337 LEU HD21 H 1 0.9200 0.0000 . 2 . . . . 337 LEU HD21 . 26732 1 425 . 1 1 337 337 LEU HD22 H 1 0.9200 0.0000 . 2 . . . . 337 LEU HD21 . 26732 1 426 . 1 1 337 337 LEU HD23 H 1 0.9200 0.0000 . 2 . . . . 337 LEU HD21 . 26732 1 427 . 1 1 337 337 LEU CD1 C 13 23.9840 0.0000 . 2 . . . . 337 LEU CD1 . 26732 1 428 . 1 1 337 337 LEU CD2 C 13 23.4430 0.0000 . 2 . . . . 337 LEU CD2 . 26732 1 429 . 1 1 343 343 VAL HG11 H 1 0.9030 0.0000 . 2 . . . . 343 VAL HG11 . 26732 1 430 . 1 1 343 343 VAL HG12 H 1 0.9030 0.0000 . 2 . . . . 343 VAL HG11 . 26732 1 431 . 1 1 343 343 VAL HG13 H 1 0.9030 0.0000 . 2 . . . . 343 VAL HG11 . 26732 1 432 . 1 1 343 343 VAL HG21 H 1 0.8720 0.0000 . 2 . . . . 343 VAL HG21 . 26732 1 433 . 1 1 343 343 VAL HG22 H 1 0.8720 0.0000 . 2 . . . . 343 VAL HG21 . 26732 1 434 . 1 1 343 343 VAL HG23 H 1 0.8720 0.0000 . 2 . . . . 343 VAL HG21 . 26732 1 435 . 1 1 343 343 VAL CG1 C 13 22.0320 0.0000 . 2 . . . . 343 VAL CG1 . 26732 1 436 . 1 1 343 343 VAL CG2 C 13 19.8070 0.0000 . 2 . . . . 343 VAL CG2 . 26732 1 437 . 1 1 348 348 VAL HG21 H 1 0.5480 0.0000 . 2 . . . . 348 VAL HG21 . 26732 1 438 . 1 1 348 348 VAL HG22 H 1 0.5480 0.0000 . 2 . . . . 348 VAL HG21 . 26732 1 439 . 1 1 348 348 VAL HG23 H 1 0.5480 0.0000 . 2 . . . . 348 VAL HG21 . 26732 1 440 . 1 1 348 348 VAL CG2 C 13 22.7430 0.0000 . 2 . . . . 348 VAL CG2 . 26732 1 441 . 1 1 357 357 LEU HD11 H 1 0.8850 0.0000 . 2 . . . . 357 LEU HD11 . 26732 1 442 . 1 1 357 357 LEU HD12 H 1 0.8850 0.0000 . 2 . . . . 357 LEU HD11 . 26732 1 443 . 1 1 357 357 LEU HD13 H 1 0.8850 0.0000 . 2 . . . . 357 LEU HD11 . 26732 1 444 . 1 1 357 357 LEU HD21 H 1 0.8320 0.0000 . 2 . . . . 357 LEU HD21 . 26732 1 445 . 1 1 357 357 LEU HD22 H 1 0.8320 0.0000 . 2 . . . . 357 LEU HD21 . 26732 1 446 . 1 1 357 357 LEU HD23 H 1 0.8320 0.0000 . 2 . . . . 357 LEU HD21 . 26732 1 447 . 1 1 357 357 LEU CD1 C 13 24.8440 0.0000 . 2 . . . . 357 LEU CD1 . 26732 1 448 . 1 1 357 357 LEU CD2 C 13 23.4130 0.0000 . 2 . . . . 357 LEU CD2 . 26732 1 449 . 1 1 361 361 VAL HG11 H 1 0.9760 0.0000 . 2 . . . . 361 VAL HG11 . 26732 1 450 . 1 1 361 361 VAL HG12 H 1 0.9760 0.0000 . 2 . . . . 361 VAL HG11 . 26732 1 451 . 1 1 361 361 VAL HG13 H 1 0.9760 0.0000 . 2 . . . . 361 VAL HG11 . 26732 1 452 . 1 1 361 361 VAL HG21 H 1 0.9380 0.0000 . 2 . . . . 361 VAL HG21 . 26732 1 453 . 1 1 361 361 VAL HG22 H 1 0.9380 0.0000 . 2 . . . . 361 VAL HG21 . 26732 1 454 . 1 1 361 361 VAL HG23 H 1 0.9380 0.0000 . 2 . . . . 361 VAL HG21 . 26732 1 455 . 1 1 361 361 VAL CG1 C 13 21.1250 0.0000 . 2 . . . . 361 VAL CG1 . 26732 1 456 . 1 1 361 361 VAL CG2 C 13 20.5280 0.0000 . 2 . . . . 361 VAL CG2 . 26732 1 457 . 1 1 367 367 LEU HD11 H 1 0.9170 0.0000 . 2 . . . . 367 LEU HD11 . 26732 1 458 . 1 1 367 367 LEU HD12 H 1 0.9170 0.0000 . 2 . . . . 367 LEU HD11 . 26732 1 459 . 1 1 367 367 LEU HD13 H 1 0.9170 0.0000 . 2 . . . . 367 LEU HD11 . 26732 1 460 . 1 1 367 367 LEU HD21 H 1 0.8820 0.0000 . 2 . . . . 367 LEU HD21 . 26732 1 461 . 1 1 367 367 LEU HD22 H 1 0.8820 0.0000 . 2 . . . . 367 LEU HD21 . 26732 1 462 . 1 1 367 367 LEU HD23 H 1 0.8820 0.0000 . 2 . . . . 367 LEU HD21 . 26732 1 463 . 1 1 367 367 LEU CD1 C 13 25.1380 0.0000 . 2 . . . . 367 LEU CD1 . 26732 1 464 . 1 1 367 367 LEU CD2 C 13 23.5640 0.0000 . 2 . . . . 367 LEU CD2 . 26732 1 stop_ save_