data_5382 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5382 _Entry.Title ; 1H, 13C, and 15N backbone resonance assignment of the C-terminal domain of EPSP synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-06-04 _Entry.Accession_date 2002-06-04 _Entry.Last_release_date 2002-12-23 _Entry.Original_release_date 2002-12-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Hak Kim . Jun . 5382 2 John Young . K. . 5382 3 Gregory Helms . L. . 5382 4 Jeremy Evans . N.S. . 5382 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5382 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 5382 '15N chemical shifts' 194 5382 '1H chemical shifts' 404 5382 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-12-23 2002-06-04 original author . 5382 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5382 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C, and 15N backbone resonance assignments of the C-terminal domain of 5'-enolpyruvylshikimate-3-phosphate synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 3 _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 269 _Citation.Page_last 270 _Citation.Year 2002 _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.Entry_ID _Citation_author.Citation_ID 1 Hak Kim . Jun . 5382 1 2 John Young . K. . 5382 1 3 Gregory Helms . L. . 5382 1 4 Jeremy Evans . N.S. . 5382 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone assignments' 5382 1 'EPSP synthase' 5382 1 glyphosate 5382 1 phosphoenolpyruvate 5382 1 'protein engineering' 5382 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5382 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11418136 _Citation.Full_citation ; Stauffer, M.E., Young, J.K., Helms, G.L.., and Evans, J.N.S. FEBS Letters 499 (2001), 182-186. ; _Citation.Title 'Chemical shift mapping of shikimate-3-phosphate binding to the isolated N-terminal domain of 5-enolpyruvylshikimate-3-phosphate synthase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 499 _Citation.Journal_issue 1-2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _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 182 _Citation.Page_last 186 _Citation.Year 2001 _Citation.Details ; To facilitate evaluation of enzyme-ligand complexes in solution, we have isolated the 26-kDa N-terminal domain of 5-enolpyruvylshikimate-3-phosphate (EPSP) synthase for analysis by NMR spectroscopy. The isolated domain is capable of binding the substrate shikimate-3-phosphate (S3P), and this letter reports the localization of the S3P binding site using chemical shift mapping. Based on the NMR data, we propose that Ser23, Arg27, Ser197, and Tyr200 are directly involved in S3P binding. We also describe changes in the observed nuclear Overhauser effects (NOEs) that are consistent with a partial conformational change in the N-terminal domain upon S3P binding. ; 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.Entry_ID _Citation_author.Citation_ID 1 'M E' Stauffer M. E. . 5382 2 2 'J K' Young J. K. . 5382 2 3 'G L' Helms G. L. . 5382 2 4 'J N' Evans J. N. . 5382 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EPSP_synthase _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EPSP_synthase _Assembly.Entry_ID 5382 _Assembly.ID 1 _Assembly.Name 'the C-terminal domain of EPSP synthase' _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 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5382 1 stop_ 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 'C-terminal domain of EPSP synthase' 1 $EPSPS . . . native . . . . . 5382 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'EPSP synthase' abbreviation 5382 1 'the C-terminal domain of EPSP synthase' system 5382 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EPSPS _Entity.Sf_category entity _Entity.Sf_framecode EPSPS _Entity.Entry_ID 5382 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'EPSP synthase' _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 ; MESLTLQPIARVDGTINLPG SGGEGDASSASTFLAAAAIK GGTVKVTGIGRNSMQGDIRF ADVLEKMGATICWGDDTISC TRGELNAIDMDMNHIPDAAM TIATAALFAKGTTTLRNITN WRVKETDRLFAMATELRKVG AEVEEGHDTIRITPPEKLNF AEIATTNDHRMAMCFSLVAL SDTPVTILDPKCTAKTFPDT FEQLARISQAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 22980 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2005-12-09 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID EPSPS abbreviation 5382 1 'EPSP synthase' common 5382 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 5382 1 2 2 GLU . 5382 1 3 3 SER . 5382 1 4 4 LEU . 5382 1 5 5 THR . 5382 1 6 6 LEU . 5382 1 7 7 GLN . 5382 1 8 8 PRO . 5382 1 9 9 ILE . 5382 1 10 10 ALA . 5382 1 11 11 ARG . 5382 1 12 12 VAL . 5382 1 13 13 ASP . 5382 1 14 14 GLY . 5382 1 15 15 THR . 5382 1 16 16 ILE . 5382 1 17 17 ASN . 5382 1 18 18 LEU . 5382 1 19 19 PRO . 5382 1 20 20 GLY . 5382 1 21 21 SER . 5382 1 22 22 GLY . 5382 1 23 23 GLY . 5382 1 24 240 GLU . 5382 1 25 241 GLY . 5382 1 26 242 ASP . 5382 1 27 243 ALA . 5382 1 28 244 SER . 5382 1 29 245 SER . 5382 1 30 246 ALA . 5382 1 31 247 SER . 5382 1 32 248 THR . 5382 1 33 249 PHE . 5382 1 34 250 LEU . 5382 1 35 251 ALA . 5382 1 36 252 ALA . 5382 1 37 253 ALA . 5382 1 38 254 ALA . 5382 1 39 255 ILE . 5382 1 40 256 LYS . 5382 1 41 257 GLY . 5382 1 42 258 GLY . 5382 1 43 259 THR . 5382 1 44 260 VAL . 5382 1 45 261 LYS . 5382 1 46 262 VAL . 5382 1 47 263 THR . 5382 1 48 264 GLY . 5382 1 49 265 ILE . 5382 1 50 266 GLY . 5382 1 51 267 ARG . 5382 1 52 268 ASN . 5382 1 53 269 SER . 5382 1 54 270 MET . 5382 1 55 271 GLN . 5382 1 56 272 GLY . 5382 1 57 273 ASP . 5382 1 58 274 ILE . 5382 1 59 275 ARG . 5382 1 60 276 PHE . 5382 1 61 277 ALA . 5382 1 62 278 ASP . 5382 1 63 279 VAL . 5382 1 64 280 LEU . 5382 1 65 281 GLU . 5382 1 66 282 LYS . 5382 1 67 283 MET . 5382 1 68 284 GLY . 5382 1 69 285 ALA . 5382 1 70 286 THR . 5382 1 71 287 ILE . 5382 1 72 288 CYS . 5382 1 73 289 TRP . 5382 1 74 290 GLY . 5382 1 75 291 ASP . 5382 1 76 292 ASP . 5382 1 77 293 THR . 5382 1 78 294 ILE . 5382 1 79 295 SER . 5382 1 80 296 CYS . 5382 1 81 297 THR . 5382 1 82 298 ARG . 5382 1 83 299 GLY . 5382 1 84 300 GLU . 5382 1 85 301 LEU . 5382 1 86 302 ASN . 5382 1 87 303 ALA . 5382 1 88 304 ILE . 5382 1 89 305 ASP . 5382 1 90 306 MET . 5382 1 91 307 ASP . 5382 1 92 308 MET . 5382 1 93 309 ASN . 5382 1 94 310 HIS . 5382 1 95 311 ILE . 5382 1 96 312 PRO . 5382 1 97 313 ASP . 5382 1 98 314 ALA . 5382 1 99 315 ALA . 5382 1 100 316 MET . 5382 1 101 317 THR . 5382 1 102 318 ILE . 5382 1 103 319 ALA . 5382 1 104 320 THR . 5382 1 105 321 ALA . 5382 1 106 322 ALA . 5382 1 107 323 LEU . 5382 1 108 324 PHE . 5382 1 109 325 ALA . 5382 1 110 326 LYS . 5382 1 111 327 GLY . 5382 1 112 328 THR . 5382 1 113 329 THR . 5382 1 114 330 THR . 5382 1 115 331 LEU . 5382 1 116 332 ARG . 5382 1 117 333 ASN . 5382 1 118 334 ILE . 5382 1 119 335 THR . 5382 1 120 336 ASN . 5382 1 121 337 TRP . 5382 1 122 338 ARG . 5382 1 123 339 VAL . 5382 1 124 340 LYS . 5382 1 125 341 GLU . 5382 1 126 342 THR . 5382 1 127 343 ASP . 5382 1 128 344 ARG . 5382 1 129 345 LEU . 5382 1 130 346 PHE . 5382 1 131 347 ALA . 5382 1 132 348 MET . 5382 1 133 349 ALA . 5382 1 134 350 THR . 5382 1 135 351 GLU . 5382 1 136 352 LEU . 5382 1 137 353 ARG . 5382 1 138 354 LYS . 5382 1 139 355 VAL . 5382 1 140 356 GLY . 5382 1 141 357 ALA . 5382 1 142 358 GLU . 5382 1 143 359 VAL . 5382 1 144 360 GLU . 5382 1 145 361 GLU . 5382 1 146 362 GLY . 5382 1 147 363 HIS . 5382 1 148 364 ASP . 5382 1 149 365 THR . 5382 1 150 366 ILE . 5382 1 151 367 ARG . 5382 1 152 368 ILE . 5382 1 153 369 THR . 5382 1 154 370 PRO . 5382 1 155 371 PRO . 5382 1 156 372 GLU . 5382 1 157 373 LYS . 5382 1 158 374 LEU . 5382 1 159 375 ASN . 5382 1 160 376 PHE . 5382 1 161 377 ALA . 5382 1 162 378 GLU . 5382 1 163 379 ILE . 5382 1 164 380 ALA . 5382 1 165 381 THR . 5382 1 166 382 THR . 5382 1 167 383 ASN . 5382 1 168 384 ASP . 5382 1 169 385 HIS . 5382 1 170 386 ARG . 5382 1 171 387 MET . 5382 1 172 388 ALA . 5382 1 173 389 MET . 5382 1 174 390 CYS . 5382 1 175 391 PHE . 5382 1 176 392 SER . 5382 1 177 393 LEU . 5382 1 178 394 VAL . 5382 1 179 395 ALA . 5382 1 180 396 LEU . 5382 1 181 397 SER . 5382 1 182 398 ASP . 5382 1 183 399 THR . 5382 1 184 400 PRO . 5382 1 185 401 VAL . 5382 1 186 402 THR . 5382 1 187 403 ILE . 5382 1 188 404 LEU . 5382 1 189 405 ASP . 5382 1 190 406 PRO . 5382 1 191 407 LYS . 5382 1 192 408 CYS . 5382 1 193 409 THR . 5382 1 194 410 ALA . 5382 1 195 411 LYS . 5382 1 196 412 THR . 5382 1 197 413 PHE . 5382 1 198 414 PRO . 5382 1 199 415 ASP . 5382 1 200 416 THR . 5382 1 201 417 PHE . 5382 1 202 418 GLU . 5382 1 203 419 GLN . 5382 1 204 420 LEU . 5382 1 205 421 ALA . 5382 1 206 422 ARG . 5382 1 207 423 ILE . 5382 1 208 424 SER . 5382 1 209 425 GLN . 5382 1 210 426 ALA . 5382 1 211 427 ALA . 5382 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 5382 1 . GLU 2 2 5382 1 . SER 3 3 5382 1 . LEU 4 4 5382 1 . THR 5 5 5382 1 . LEU 6 6 5382 1 . GLN 7 7 5382 1 . PRO 8 8 5382 1 . ILE 9 9 5382 1 . ALA 10 10 5382 1 . ARG 11 11 5382 1 . VAL 12 12 5382 1 . ASP 13 13 5382 1 . GLY 14 14 5382 1 . THR 15 15 5382 1 . ILE 16 16 5382 1 . ASN 17 17 5382 1 . LEU 18 18 5382 1 . PRO 19 19 5382 1 . GLY 20 20 5382 1 . SER 21 21 5382 1 . GLY 22 22 5382 1 . GLY 23 23 5382 1 . GLU 24 24 5382 1 . GLY 25 25 5382 1 . ASP 26 26 5382 1 . ALA 27 27 5382 1 . SER 28 28 5382 1 . SER 29 29 5382 1 . ALA 30 30 5382 1 . SER 31 31 5382 1 . THR 32 32 5382 1 . PHE 33 33 5382 1 . LEU 34 34 5382 1 . ALA 35 35 5382 1 . ALA 36 36 5382 1 . ALA 37 37 5382 1 . ALA 38 38 5382 1 . ILE 39 39 5382 1 . LYS 40 40 5382 1 . GLY 41 41 5382 1 . GLY 42 42 5382 1 . THR 43 43 5382 1 . VAL 44 44 5382 1 . LYS 45 45 5382 1 . VAL 46 46 5382 1 . THR 47 47 5382 1 . GLY 48 48 5382 1 . ILE 49 49 5382 1 . GLY 50 50 5382 1 . ARG 51 51 5382 1 . ASN 52 52 5382 1 . SER 53 53 5382 1 . MET 54 54 5382 1 . GLN 55 55 5382 1 . GLY 56 56 5382 1 . ASP 57 57 5382 1 . ILE 58 58 5382 1 . ARG 59 59 5382 1 . PHE 60 60 5382 1 . ALA 61 61 5382 1 . ASP 62 62 5382 1 . VAL 63 63 5382 1 . LEU 64 64 5382 1 . GLU 65 65 5382 1 . LYS 66 66 5382 1 . MET 67 67 5382 1 . GLY 68 68 5382 1 . ALA 69 69 5382 1 . THR 70 70 5382 1 . ILE 71 71 5382 1 . CYS 72 72 5382 1 . TRP 73 73 5382 1 . GLY 74 74 5382 1 . ASP 75 75 5382 1 . ASP 76 76 5382 1 . THR 77 77 5382 1 . ILE 78 78 5382 1 . SER 79 79 5382 1 . CYS 80 80 5382 1 . THR 81 81 5382 1 . ARG 82 82 5382 1 . GLY 83 83 5382 1 . GLU 84 84 5382 1 . LEU 85 85 5382 1 . ASN 86 86 5382 1 . ALA 87 87 5382 1 . ILE 88 88 5382 1 . ASP 89 89 5382 1 . MET 90 90 5382 1 . ASP 91 91 5382 1 . MET 92 92 5382 1 . ASN 93 93 5382 1 . HIS 94 94 5382 1 . ILE 95 95 5382 1 . PRO 96 96 5382 1 . ASP 97 97 5382 1 . ALA 98 98 5382 1 . ALA 99 99 5382 1 . MET 100 100 5382 1 . THR 101 101 5382 1 . ILE 102 102 5382 1 . ALA 103 103 5382 1 . THR 104 104 5382 1 . ALA 105 105 5382 1 . ALA 106 106 5382 1 . LEU 107 107 5382 1 . PHE 108 108 5382 1 . ALA 109 109 5382 1 . LYS 110 110 5382 1 . GLY 111 111 5382 1 . THR 112 112 5382 1 . THR 113 113 5382 1 . THR 114 114 5382 1 . LEU 115 115 5382 1 . ARG 116 116 5382 1 . ASN 117 117 5382 1 . ILE 118 118 5382 1 . THR 119 119 5382 1 . ASN 120 120 5382 1 . TRP 121 121 5382 1 . ARG 122 122 5382 1 . VAL 123 123 5382 1 . LYS 124 124 5382 1 . GLU 125 125 5382 1 . THR 126 126 5382 1 . ASP 127 127 5382 1 . ARG 128 128 5382 1 . LEU 129 129 5382 1 . PHE 130 130 5382 1 . ALA 131 131 5382 1 . MET 132 132 5382 1 . ALA 133 133 5382 1 . THR 134 134 5382 1 . GLU 135 135 5382 1 . LEU 136 136 5382 1 . ARG 137 137 5382 1 . LYS 138 138 5382 1 . VAL 139 139 5382 1 . GLY 140 140 5382 1 . ALA 141 141 5382 1 . GLU 142 142 5382 1 . VAL 143 143 5382 1 . GLU 144 144 5382 1 . GLU 145 145 5382 1 . GLY 146 146 5382 1 . HIS 147 147 5382 1 . ASP 148 148 5382 1 . THR 149 149 5382 1 . ILE 150 150 5382 1 . ARG 151 151 5382 1 . ILE 152 152 5382 1 . THR 153 153 5382 1 . PRO 154 154 5382 1 . PRO 155 155 5382 1 . GLU 156 156 5382 1 . LYS 157 157 5382 1 . LEU 158 158 5382 1 . ASN 159 159 5382 1 . PHE 160 160 5382 1 . ALA 161 161 5382 1 . GLU 162 162 5382 1 . ILE 163 163 5382 1 . ALA 164 164 5382 1 . THR 165 165 5382 1 . THR 166 166 5382 1 . ASN 167 167 5382 1 . ASP 168 168 5382 1 . HIS 169 169 5382 1 . ARG 170 170 5382 1 . MET 171 171 5382 1 . ALA 172 172 5382 1 . MET 173 173 5382 1 . CYS 174 174 5382 1 . PHE 175 175 5382 1 . SER 176 176 5382 1 . LEU 177 177 5382 1 . VAL 178 178 5382 1 . ALA 179 179 5382 1 . LEU 180 180 5382 1 . SER 181 181 5382 1 . ASP 182 182 5382 1 . THR 183 183 5382 1 . PRO 184 184 5382 1 . VAL 185 185 5382 1 . THR 186 186 5382 1 . ILE 187 187 5382 1 . LEU 188 188 5382 1 . ASP 189 189 5382 1 . PRO 190 190 5382 1 . LYS 191 191 5382 1 . CYS 192 192 5382 1 . THR 193 193 5382 1 . ALA 194 194 5382 1 . LYS 195 195 5382 1 . THR 196 196 5382 1 . PHE 197 197 5382 1 . PRO 198 198 5382 1 . ASP 199 199 5382 1 . THR 200 200 5382 1 . PHE 201 201 5382 1 . GLU 202 202 5382 1 . GLN 203 203 5382 1 . LEU 204 204 5382 1 . ALA 205 205 5382 1 . ARG 206 206 5382 1 . ILE 207 207 5382 1 . SER 208 208 5382 1 . GLN 209 209 5382 1 . ALA 210 210 5382 1 . ALA 211 211 5382 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 5382 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $EPSPS . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5382 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 5382 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $EPSPS . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5382 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5382 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'EPSP synthase' '[U-95% 13C; U-90% 15N]' . . 1 $EPSPS . . 1.0 . . mM . . . . 5382 1 2 Tris . . . . . . . 10 . . mM . . . . 5382 1 3 DTT . . . . . . . 1 . . mM . . . . 5382 1 4 NaN3 . . . . . . . 3 . . mM . . . . 5382 1 5 D2O . . . . . . . 50 . . % . . . . 5382 1 stop_ save_ ####################### # Sample conditions # ####################### save_C-term_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode C-term_cond_1 _Sample_condition_list.Entry_ID 5382 _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 pH 7.8 0.2 n/a 5382 1 temperature 295 1 K 5382 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5382 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 5382 _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 unknown unknown . 0 'spectrometer information not available' . . 5382 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 5382 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5382 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5382 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5382 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5382 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_Cterminal_domain_chemical_shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Cterminal_domain_chemical_shift _Assigned_chem_shift_list.Entry_ID 5382 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $C-term_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5382 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 2 2 GLU CA C 13 56.75 . . . . . . . 2 . . . 5382 1 2 . 1 1 2 2 GLU HA H 1 4.42 . . . . . . . 2 . . . 5382 1 3 . 1 1 3 3 SER N N 15 114.38 . . . . . . . 3 . . . 5382 1 4 . 1 1 3 3 SER H H 1 8.32 . . . . . . . 3 . . . 5382 1 5 . 1 1 3 3 SER CA C 13 56.84 . . . . . . . 3 . . . 5382 1 6 . 1 1 3 3 SER HA H 1 4.97 . . . . . . . 3 . . . 5382 1 7 . 1 1 3 3 SER C C 13 171.91 . . . . . . . 3 . . . 5382 1 8 . 1 1 4 4 LEU N N 15 122.26 . . . . . . . 4 . . . 5382 1 9 . 1 1 4 4 LEU H H 1 8.47 . . . . . . . 4 . . . 5382 1 10 . 1 1 4 4 LEU CA C 13 53.92 . . . . . . . 4 . . . 5382 1 11 . 1 1 4 4 LEU HA H 1 4.62 . . . . . . . 4 . . . 5382 1 12 . 1 1 4 4 LEU C C 13 174.66 . . . . . . . 4 . . . 5382 1 13 . 1 1 5 5 THR N N 15 124.39 . . . . . . . 5 . . . 5382 1 14 . 1 1 5 5 THR H H 1 9.06 . . . . . . . 5 . . . 5382 1 15 . 1 1 5 5 THR CA C 13 61.95 . . . . . . . 5 . . . 5382 1 16 . 1 1 5 5 THR HA H 1 5.22 . . . . . . . 5 . . . 5382 1 17 . 1 1 5 5 THR C C 13 173.86 . . . . . . . 5 . . . 5382 1 18 . 1 1 6 6 LEU N N 15 130.98 . . . . . . . 6 . . . 5382 1 19 . 1 1 6 6 LEU H H 1 9.21 . . . . . . . 6 . . . 5382 1 20 . 1 1 6 6 LEU CA C 13 53.55 . . . . . . . 6 . . . 5382 1 21 . 1 1 6 6 LEU HA H 1 4.49 . . . . . . . 6 . . . 5382 1 22 . 1 1 6 6 LEU C C 13 175.2 . . . . . . . 6 . . . 5382 1 23 . 1 1 7 7 GLN N N 15 119.49 . . . . . . . 7 . . . 5382 1 24 . 1 1 7 7 GLN H H 1 8.01 . . . . . . . 7 . . . 5382 1 25 . 1 1 7 7 GLN CA C 13 52.84 . . . . . . . 7 . . . 5382 1 26 . 1 1 7 7 GLN HA H 1 4.31 . . . . . . . 7 . . . 5382 1 27 . 1 1 7 7 GLN C C 13 173.33 . . . . . . . 7 . . . 5382 1 28 . 1 1 8 8 PRO CA C 13 63.14 . . . . . . . 8 . . . 5382 1 29 . 1 1 8 8 PRO HA H 1 4.8 . . . . . . . 8 . . . 5382 1 30 . 1 1 8 8 PRO C C 13 177.1 . . . . . . . 8 . . . 5382 1 31 . 1 1 9 9 ILE N N 15 127.5 . . . . . . . 9 . . . 5382 1 32 . 1 1 9 9 ILE H H 1 9.01 . . . . . . . 9 . . . 5382 1 33 . 1 1 9 9 ILE CA C 13 60.67 . . . . . . . 9 . . . 5382 1 34 . 1 1 9 9 ILE HA H 1 4.32 . . . . . . . 9 . . . 5382 1 35 . 1 1 9 9 ILE C C 13 175.64 . . . . . . . 9 . . . 5382 1 36 . 1 1 10 10 ALA N N 15 129.1 . . . . . . . 10 . . . 5382 1 37 . 1 1 10 10 ALA H H 1 8.66 . . . . . . . 10 . . . 5382 1 38 . 1 1 10 10 ALA CA C 13 54.14 . . . . . . . 10 . . . 5382 1 39 . 1 1 10 10 ALA HA H 1 4.03 . . . . . . . 10 . . . 5382 1 40 . 1 1 10 10 ALA C C 13 177.57 . . . . . . . 10 . . . 5382 1 41 . 1 1 11 11 ARG N N 15 116.16 . . . . . . . 11 . . . 5382 1 42 . 1 1 11 11 ARG H H 1 7.47 . . . . . . . 11 . . . 5382 1 43 . 1 1 11 11 ARG CA C 13 54.85 . . . . . . . 11 . . . 5382 1 44 . 1 1 11 11 ARG HA H 1 4.86 . . . . . . . 11 . . . 5382 1 45 . 1 1 11 11 ARG C C 13 173.66 . . . . . . . 11 . . . 5382 1 46 . 1 1 12 12 VAL N N 15 116.19 . . . . . . . 12 . . . 5382 1 47 . 1 1 12 12 VAL H H 1 7.52 . . . . . . . 12 . . . 5382 1 48 . 1 1 12 12 VAL CA C 13 58.15 . . . . . . . 12 . . . 5382 1 49 . 1 1 12 12 VAL HA H 1 5.42 . . . . . . . 12 . . . 5382 1 50 . 1 1 12 12 VAL C C 13 174.29 . . . . . . . 12 . . . 5382 1 51 . 1 1 13 13 ASP N N 15 118.87 . . . . . . . 13 . . . 5382 1 52 . 1 1 13 13 ASP H H 1 8.49 . . . . . . . 13 . . . 5382 1 53 . 1 1 13 13 ASP CA C 13 54.73 . . . . . . . 13 . . . 5382 1 54 . 1 1 13 13 ASP HA H 1 5.23 . . . . . . . 13 . . . 5382 1 55 . 1 1 13 13 ASP C C 13 174.92 . . . . . . . 13 . . . 5382 1 56 . 1 1 14 14 GLY N N 15 110.67 . . . . . . . 14 . . . 5382 1 57 . 1 1 14 14 GLY H H 1 8.79 . . . . . . . 14 . . . 5382 1 58 . 1 1 14 14 GLY CA C 13 44.77 . . . . . . . 14 . . . 5382 1 59 . 1 1 14 14 GLY HA2 H 1 3.86 . . . . . . . 14 . . . 5382 1 60 . 1 1 14 14 GLY HA3 H 1 4.7 . . . . . . . 14 . . . 5382 1 61 . 1 1 15 15 THR N N 15 116.55 . . . . . . . 15 . . . 5382 1 62 . 1 1 15 15 THR H H 1 8.48 . . . . . . . 15 . . . 5382 1 63 . 1 1 15 15 THR CA C 13 60.86 . . . . . . . 15 . . . 5382 1 64 . 1 1 15 15 THR HA H 1 5.35 . . . . . . . 15 . . . 5382 1 65 . 1 1 15 15 THR C C 13 173.25 . . . . . . . 15 . . . 5382 1 66 . 1 1 16 16 ILE N N 15 127.08 . . . . . . . 16 . . . 5382 1 67 . 1 1 16 16 ILE H H 1 9.06 . . . . . . . 16 . . . 5382 1 68 . 1 1 16 16 ILE CA C 13 57.28 . . . . . . . 16 . . . 5382 1 69 . 1 1 16 16 ILE HA H 1 4.78 . . . . . . . 16 . . . 5382 1 70 . 1 1 16 16 ILE C C 13 173.17 . . . . . . . 16 . . . 5382 1 71 . 1 1 17 17 ASN N N 15 125.22 . . . . . . . 17 . . . 5382 1 72 . 1 1 17 17 ASN H H 1 8.69 . . . . . . . 17 . . . 5382 1 73 . 1 1 17 17 ASN CA C 13 51.06 . . . . . . . 17 . . . 5382 1 74 . 1 1 17 17 ASN HA H 1 5.11 . . . . . . . 17 . . . 5382 1 75 . 1 1 17 17 ASN C C 13 174.4 . . . . . . . 17 . . . 5382 1 76 . 1 1 18 18 LEU N N 15 126.24 . . . . . . . 18 . . . 5382 1 77 . 1 1 18 18 LEU H H 1 8.34 . . . . . . . 18 . . . 5382 1 78 . 1 1 18 18 LEU CA C 13 53.14 . . . . . . . 18 . . . 5382 1 79 . 1 1 18 18 LEU HA H 1 4.29 . . . . . . . 18 . . . 5382 1 80 . 1 1 18 18 LEU C C 13 174.91 . . . . . . . 18 . . . 5382 1 81 . 1 1 19 19 PRO CA C 13 62.76 . . . . . . . 19 . . . 5382 1 82 . 1 1 19 19 PRO C C 13 177.52 . . . . . . . 19 . . . 5382 1 83 . 1 1 20 20 GLY N N 15 108.76 . . . . . . . 20 . . . 5382 1 84 . 1 1 20 20 GLY H H 1 8.31 . . . . . . . 20 . . . 5382 1 85 . 1 1 20 20 GLY CA C 13 45.36 . . . . . . . 20 . . . 5382 1 86 . 1 1 21 21 SER N N 15 115.46 . . . . . . . 21 . . . 5382 1 87 . 1 1 21 21 SER H H 1 8.29 . . . . . . . 21 . . . 5382 1 88 . 1 1 21 21 SER CA C 13 58.03 . . . . . . . 21 . . . 5382 1 89 . 1 1 21 21 SER C C 13 175.22 . . . . . . . 21 . . . 5382 1 90 . 1 1 22 22 GLY N N 15 110.91 . . . . . . . 22 . . . 5382 1 91 . 1 1 22 22 GLY H H 1 8.64 . . . . . . . 22 . . . 5382 1 92 . 1 1 22 22 GLY CA C 13 45.17 . . . . . . . 22 . . . 5382 1 93 . 1 1 22 22 GLY HA2 H 1 3.99 . . . . . . . 22 . . . 5382 1 94 . 1 1 23 23 GLY N N 15 108.94 . . . . . . . 23 . . . 5382 1 95 . 1 1 23 23 GLY H H 1 8.31 . . . . . . . 23 . . . 5382 1 96 . 1 1 23 23 GLY CA C 13 44.87 . . . . . . . 23 . . . 5382 1 97 . 1 1 23 23 GLY HA2 H 1 3.89 . . . . . . . 23 . . . 5382 1 98 . 1 1 23 23 GLY HA3 H 1 4.02 . . . . . . . 23 . . . 5382 1 99 . 1 1 24 24 GLU N N 15 120.69 . . . . . . . 240 . . . 5382 1 100 . 1 1 24 24 GLU H H 1 8.45 . . . . . . . 240 . . . 5382 1 101 . 1 1 24 24 GLU CA C 13 56.5 . . . . . . . 240 . . . 5382 1 102 . 1 1 24 24 GLU HA H 1 4.3 . . . . . . . 240 . . . 5382 1 103 . 1 1 24 24 GLU C C 13 177.2 . . . . . . . 240 . . . 5382 1 104 . 1 1 25 25 GLY N N 15 109.91 . . . . . . . 241 . . . 5382 1 105 . 1 1 25 25 GLY H H 1 8.52 . . . . . . . 241 . . . 5382 1 106 . 1 1 25 25 GLY CA C 13 45.16 . . . . . . . 241 . . . 5382 1 107 . 1 1 25 25 GLY HA2 H 1 3.93 . . . . . . . 241 . . . 5382 1 108 . 1 1 26 26 ASP N N 15 120.23 . . . . . . . 242 . . . 5382 1 109 . 1 1 26 26 ASP H H 1 8.15 . . . . . . . 242 . . . 5382 1 110 . 1 1 26 26 ASP CA C 13 53.94 . . . . . . . 242 . . . 5382 1 111 . 1 1 26 26 ASP HA H 1 4.48 . . . . . . . 242 . . . 5382 1 112 . 1 1 26 26 ASP C C 13 175.86 . . . . . . . 242 . . . 5382 1 113 . 1 1 27 27 ALA N N 15 124.17 . . . . . . . 243 . . . 5382 1 114 . 1 1 27 27 ALA H H 1 8.28 . . . . . . . 243 . . . 5382 1 115 . 1 1 27 27 ALA CA C 13 52.43 . . . . . . . 243 . . . 5382 1 116 . 1 1 27 27 ALA HA H 1 4.78 . . . . . . . 243 . . . 5382 1 117 . 1 1 27 27 ALA C C 13 177.86 . . . . . . . 243 . . . 5382 1 118 . 1 1 28 28 SER N N 15 116.68 . . . . . . . 244 . . . 5382 1 119 . 1 1 28 28 SER H H 1 8.86 . . . . . . . 244 . . . 5382 1 120 . 1 1 28 28 SER CA C 13 58.31 . . . . . . . 244 . . . 5382 1 121 . 1 1 28 28 SER HA H 1 4.39 . . . . . . . 244 . . . 5382 1 122 . 1 1 29 29 SER CA C 13 60.22 . . . . . . . 245 . . . 5382 1 123 . 1 1 29 29 SER C C 13 176.74 . . . . . . . 245 . . . 5382 1 124 . 1 1 30 30 ALA N N 15 123.04 . . . . . . . 246 . . . 5382 1 125 . 1 1 30 30 ALA H H 1 8.11 . . . . . . . 246 . . . 5382 1 126 . 1 1 30 30 ALA CA C 13 55.1 . . . . . . . 246 . . . 5382 1 127 . 1 1 30 30 ALA HA H 1 4.16 . . . . . . . 246 . . . 5382 1 128 . 1 1 31 31 SER CA C 13 61.1 . . . . . . . 247 . . . 5382 1 129 . 1 1 31 31 SER C C 13 175.46 . . . . . . . 247 . . . 5382 1 130 . 1 1 32 32 THR N N 15 120.14 . . . . . . . 248 . . . 5382 1 131 . 1 1 32 32 THR H H 1 6.08 . . . . . . . 248 . . . 5382 1 132 . 1 1 32 32 THR CA C 13 60.27 . . . . . . . 248 . . . 5382 1 133 . 1 1 32 32 THR HA H 1 4.02 . . . . . . . 248 . . . 5382 1 134 . 1 1 32 32 THR C C 13 176.58 . . . . . . . 248 . . . 5382 1 135 . 1 1 33 33 PHE N N 15 114 . . . . . . . 249 . . . 5382 1 136 . 1 1 33 33 PHE H H 1 6.64 . . . . . . . 249 . . . 5382 1 137 . 1 1 33 33 PHE CA C 13 59.94 . . . . . . . 249 . . . 5382 1 138 . 1 1 33 33 PHE HA H 1 4.03 . . . . . . . 249 . . . 5382 1 139 . 1 1 33 33 PHE C C 13 177.19 . . . . . . . 249 . . . 5382 1 140 . 1 1 34 34 LEU N N 15 116.31 . . . . . . . 250 . . . 5382 1 141 . 1 1 34 34 LEU H H 1 7.75 . . . . . . . 250 . . . 5382 1 142 . 1 1 34 34 LEU CA C 13 57.12 . . . . . . . 250 . . . 5382 1 143 . 1 1 34 34 LEU HA H 1 4.01 . . . . . . . 250 . . . 5382 1 144 . 1 1 34 34 LEU C C 13 178.74 . . . . . . . 250 . . . 5382 1 145 . 1 1 35 35 ALA N N 15 119.15 . . . . . . . 251 . . . 5382 1 146 . 1 1 35 35 ALA H H 1 8.62 . . . . . . . 251 . . . 5382 1 147 . 1 1 35 35 ALA CA C 13 54.53 . . . . . . . 251 . . . 5382 1 148 . 1 1 35 35 ALA HA H 1 3.85 . . . . . . . 251 . . . 5382 1 149 . 1 1 35 35 ALA C C 13 178.41 . . . . . . . 251 . . . 5382 1 150 . 1 1 36 36 ALA N N 15 117.52 . . . . . . . 252 . . . 5382 1 151 . 1 1 36 36 ALA H H 1 7.94 . . . . . . . 252 . . . 5382 1 152 . 1 1 36 36 ALA CA C 13 54.56 . . . . . . . 252 . . . 5382 1 153 . 1 1 36 36 ALA HA H 1 4.03 . . . . . . . 252 . . . 5382 1 154 . 1 1 36 36 ALA C C 13 179.04 . . . . . . . 252 . . . 5382 1 155 . 1 1 37 37 ALA N N 15 119.21 . . . . . . . 253 . . . 5382 1 156 . 1 1 37 37 ALA H H 1 7.18 . . . . . . . 253 . . . 5382 1 157 . 1 1 37 37 ALA CA C 13 53.65 . . . . . . . 253 . . . 5382 1 158 . 1 1 37 37 ALA HA H 1 3.62 . . . . . . . 253 . . . 5382 1 159 . 1 1 37 37 ALA C C 13 178.69 . . . . . . . 253 . . . 5382 1 160 . 1 1 38 38 ALA N N 15 119.58 . . . . . . . 254 . . . 5382 1 161 . 1 1 38 38 ALA H H 1 7.72 . . . . . . . 254 . . . 5382 1 162 . 1 1 38 38 ALA CA C 13 53.72 . . . . . . . 254 . . . 5382 1 163 . 1 1 38 38 ALA HA H 1 3.82 . . . . . . . 254 . . . 5382 1 164 . 1 1 38 38 ALA C C 13 178.53 . . . . . . . 254 . . . 5382 1 165 . 1 1 39 39 ILE N N 15 116.25 . . . . . . . 255 . . . 5382 1 166 . 1 1 39 39 ILE H H 1 7.72 . . . . . . . 255 . . . 5382 1 167 . 1 1 39 39 ILE CA C 13 63.54 . . . . . . . 255 . . . 5382 1 168 . 1 1 39 39 ILE HA H 1 4.25 . . . . . . . 255 . . . 5382 1 169 . 1 1 39 39 ILE C C 13 176.69 . . . . . . . 255 . . . 5382 1 170 . 1 1 40 40 LYS N N 15 121.27 . . . . . . . 256 . . . 5382 1 171 . 1 1 40 40 LYS H H 1 8.61 . . . . . . . 256 . . . 5382 1 172 . 1 1 40 40 LYS CA C 13 52.67 . . . . . . . 256 . . . 5382 1 173 . 1 1 40 40 LYS HA H 1 5.36 . . . . . . . 256 . . . 5382 1 174 . 1 1 40 40 LYS C C 13 177.52 . . . . . . . 256 . . . 5382 1 175 . 1 1 41 41 GLY N N 15 108.63 . . . . . . . 257 . . . 5382 1 176 . 1 1 41 41 GLY H H 1 8.3 . . . . . . . 257 . . . 5382 1 177 . 1 1 41 41 GLY CA C 13 42.24 . . . . . . . 257 . . . 5382 1 178 . 1 1 41 41 GLY HA2 H 1 3.97 . . . . . . . 257 . . . 5382 1 179 . 1 1 41 41 GLY HA3 H 1 5.08 . . . . . . . 257 . . . 5382 1 180 . 1 1 42 42 GLY N N 15 106.71 . . . . . . . 258 . . . 5382 1 181 . 1 1 42 42 GLY H H 1 7.53 . . . . . . . 258 . . . 5382 1 182 . 1 1 42 42 GLY CA C 13 45.22 . . . . . . . 258 . . . 5382 1 183 . 1 1 42 42 GLY HA2 H 1 4.08 . . . . . . . 258 . . . 5382 1 184 . 1 1 42 42 GLY HA3 H 1 5.33 . . . . . . . 258 . . . 5382 1 185 . 1 1 43 43 THR N N 15 114.35 . . . . . . . 259 . . . 5382 1 186 . 1 1 43 43 THR H H 1 8.83 . . . . . . . 259 . . . 5382 1 187 . 1 1 43 43 THR CA C 13 61.26 . . . . . . . 259 . . . 5382 1 188 . 1 1 43 43 THR HA H 1 5.48 . . . . . . . 259 . . . 5382 1 189 . 1 1 43 43 THR C C 13 174.53 . . . . . . . 259 . . . 5382 1 190 . 1 1 44 44 VAL N N 15 125.55 . . . . . . . 260 . . . 5382 1 191 . 1 1 44 44 VAL H H 1 8.8 . . . . . . . 260 . . . 5382 1 192 . 1 1 44 44 VAL CA C 13 59.76 . . . . . . . 260 . . . 5382 1 193 . 1 1 44 44 VAL HA H 1 5.24 . . . . . . . 260 . . . 5382 1 194 . 1 1 44 44 VAL C C 13 173.36 . . . . . . . 260 . . . 5382 1 195 . 1 1 45 45 LYS N N 15 128.79 . . . . . . . 261 . . . 5382 1 196 . 1 1 45 45 LYS H H 1 8.33 . . . . . . . 261 . . . 5382 1 197 . 1 1 45 45 LYS CA C 13 53.92 . . . . . . . 261 . . . 5382 1 198 . 1 1 45 45 LYS HA H 1 4.85 . . . . . . . 261 . . . 5382 1 199 . 1 1 45 45 LYS C C 13 173.98 . . . . . . . 261 . . . 5382 1 200 . 1 1 46 46 VAL N N 15 127.27 . . . . . . . 262 . . . 5382 1 201 . 1 1 46 46 VAL H H 1 9.22 . . . . . . . 262 . . . 5382 1 202 . 1 1 46 46 VAL CA C 13 60.3 . . . . . . . 262 . . . 5382 1 203 . 1 1 46 46 VAL HA H 1 5.01 . . . . . . . 262 . . . 5382 1 204 . 1 1 46 46 VAL C C 13 175.21 . . . . . . . 262 . . . 5382 1 205 . 1 1 47 47 THR N N 15 115.99 . . . . . . . 263 . . . 5382 1 206 . 1 1 47 47 THR H H 1 9.12 . . . . . . . 263 . . . 5382 1 207 . 1 1 47 47 THR CA C 13 59.6 . . . . . . . 263 . . . 5382 1 208 . 1 1 47 47 THR HA H 1 5.18 . . . . . . . 263 . . . 5382 1 209 . 1 1 47 47 THR C C 13 174.31 . . . . . . . 263 . . . 5382 1 210 . 1 1 48 48 GLY N N 15 108.08 . . . . . . . 264 . . . 5382 1 211 . 1 1 48 48 GLY H H 1 8.22 . . . . . . . 264 . . . 5382 1 212 . 1 1 48 48 GLY CA C 13 45.76 . . . . . . . 264 . . . 5382 1 213 . 1 1 48 48 GLY HA2 H 1 3.8 . . . . . . . 264 . . . 5382 1 214 . 1 1 48 48 GLY HA3 H 1 4.44 . . . . . . . 264 . . . 5382 1 215 . 1 1 49 49 ILE N N 15 120.04 . . . . . . . 265 . . . 5382 1 216 . 1 1 49 49 ILE H H 1 7.7 . . . . . . . 265 . . . 5382 1 217 . 1 1 49 49 ILE CA C 13 61.5 . . . . . . . 265 . . . 5382 1 218 . 1 1 49 49 ILE HA H 1 4.02 . . . . . . . 265 . . . 5382 1 219 . 1 1 50 50 GLY N N 15 120.55 . . . . . . . 266 . . . 5382 1 220 . 1 1 50 50 GLY H H 1 8.63 . . . . . . . 266 . . . 5382 1 221 . 1 1 50 50 GLY CA C 13 44.94 . . . . . . . 266 . . . 5382 1 222 . 1 1 50 50 GLY HA2 H 1 4.08 . . . . . . . 266 . . . 5382 1 223 . 1 1 50 50 GLY HA3 H 1 3.93 . . . . . . . 266 . . . 5382 1 224 . 1 1 51 51 ARG N N 15 119.04 . . . . . . . 267 . . . 5382 1 225 . 1 1 51 51 ARG H H 1 8.72 . . . . . . . 267 . . . 5382 1 226 . 1 1 51 51 ARG CA C 13 59.76 . . . . . . . 267 . . . 5382 1 227 . 1 1 51 51 ARG HA H 1 4.32 . . . . . . . 267 . . . 5382 1 228 . 1 1 52 52 ASN C C 13 176.28 . . . . . . . 268 . . . 5382 1 229 . 1 1 53 53 SER N N 15 115.16 . . . . . . . 269 . . . 5382 1 230 . 1 1 53 53 SER H H 1 7.77 . . . . . . . 269 . . . 5382 1 231 . 1 1 53 53 SER CA C 13 59.16 . . . . . . . 269 . . . 5382 1 232 . 1 1 53 53 SER HA H 1 4.52 . . . . . . . 269 . . . 5382 1 233 . 1 1 54 54 MET CA C 13 58.91 . . . . . . . 270 . . . 5382 1 234 . 1 1 54 54 MET C C 13 175.98 . . . . . . . 270 . . . 5382 1 235 . 1 1 55 55 GLN N N 15 118.29 . . . . . . . 271 . . . 5382 1 236 . 1 1 55 55 GLN H H 1 7.63 . . . . . . . 271 . . . 5382 1 237 . 1 1 55 55 GLN CA C 13 58.44 . . . . . . . 271 . . . 5382 1 238 . 1 1 55 55 GLN HA H 1 4.55 . . . . . . . 271 . . . 5382 1 239 . 1 1 55 55 GLN C C 13 178.51 . . . . . . . 271 . . . 5382 1 240 . 1 1 56 56 GLY N N 15 108.59 . . . . . . . 272 . . . 5382 1 241 . 1 1 56 56 GLY H H 1 8.41 . . . . . . . 272 . . . 5382 1 242 . 1 1 56 56 GLY CA C 13 46.55 . . . . . . . 272 . . . 5382 1 243 . 1 1 56 56 GLY HA2 H 1 3.89 . . . . . . . 272 . . . 5382 1 244 . 1 1 57 57 ASP N N 15 111.69 . . . . . . . 273 . . . 5382 1 245 . 1 1 57 57 ASP H H 1 6.66 . . . . . . . 273 . . . 5382 1 246 . 1 1 57 57 ASP CA C 13 55.41 . . . . . . . 273 . . . 5382 1 247 . 1 1 57 57 ASP HA H 1 5.23 . . . . . . . 273 . . . 5382 1 248 . 1 1 57 57 ASP C C 13 176.59 . . . . . . . 273 . . . 5382 1 249 . 1 1 58 58 ILE N N 15 117.63 . . . . . . . 274 . . . 5382 1 250 . 1 1 58 58 ILE H H 1 8.55 . . . . . . . 274 . . . 5382 1 251 . 1 1 58 58 ILE CA C 13 59.02 . . . . . . . 274 . . . 5382 1 252 . 1 1 58 58 ILE HA H 1 4.42 . . . . . . . 274 . . . 5382 1 253 . 1 1 58 58 ILE C C 13 177.63 . . . . . . . 274 . . . 5382 1 254 . 1 1 59 59 ARG N N 15 118.84 . . . . . . . 275 . . . 5382 1 255 . 1 1 59 59 ARG H H 1 7.66 . . . . . . . 275 . . . 5382 1 256 . 1 1 59 59 ARG CA C 13 58.44 . . . . . . . 275 . . . 5382 1 257 . 1 1 59 59 ARG HA H 1 4.22 . . . . . . . 275 . . . 5382 1 258 . 1 1 59 59 ARG C C 13 176.18 . . . . . . . 275 . . . 5382 1 259 . 1 1 60 60 PHE N N 15 122.28 . . . . . . . 276 . . . 5382 1 260 . 1 1 60 60 PHE H H 1 8.66 . . . . . . . 276 . . . 5382 1 261 . 1 1 60 60 PHE CA C 13 61.82 . . . . . . . 276 . . . 5382 1 262 . 1 1 60 60 PHE HA H 1 4.35 . . . . . . . 276 . . . 5382 1 263 . 1 1 60 60 PHE C C 13 176.54 . . . . . . . 276 . . . 5382 1 264 . 1 1 61 61 ALA N N 15 113.12 . . . . . . . 277 . . . 5382 1 265 . 1 1 61 61 ALA H H 1 8.5 . . . . . . . 277 . . . 5382 1 266 . 1 1 61 61 ALA CA C 13 55.22 . . . . . . . 277 . . . 5382 1 267 . 1 1 61 61 ALA HA H 1 4.31 . . . . . . . 277 . . . 5382 1 268 . 1 1 61 61 ALA C C 13 178.2 . . . . . . . 277 . . . 5382 1 269 . 1 1 62 62 ASP N N 15 116.91 . . . . . . . 278 . . . 5382 1 270 . 1 1 62 62 ASP H H 1 8.15 . . . . . . . 278 . . . 5382 1 271 . 1 1 62 62 ASP CA C 13 56.9 . . . . . . . 278 . . . 5382 1 272 . 1 1 62 62 ASP HA H 1 4.39 . . . . . . . 278 . . . 5382 1 273 . 1 1 62 62 ASP C C 13 178.4 . . . . . . . 278 . . . 5382 1 274 . 1 1 63 63 VAL N N 15 119.95 . . . . . . . 279 . . . 5382 1 275 . 1 1 63 63 VAL H H 1 7.37 . . . . . . . 279 . . . 5382 1 276 . 1 1 63 63 VAL CA C 13 66.4 . . . . . . . 279 . . . 5382 1 277 . 1 1 63 63 VAL HA H 1 3.48 . . . . . . . 279 . . . 5382 1 278 . 1 1 63 63 VAL C C 13 178.01 . . . . . . . 279 . . . 5382 1 279 . 1 1 64 64 LEU N N 15 116.97 . . . . . . . 280 . . . 5382 1 280 . 1 1 64 64 LEU H H 1 6.93 . . . . . . . 280 . . . 5382 1 281 . 1 1 64 64 LEU CA C 13 57.22 . . . . . . . 280 . . . 5382 1 282 . 1 1 64 64 LEU HA H 1 3.75 . . . . . . . 280 . . . 5382 1 283 . 1 1 64 64 LEU C C 13 179.57 . . . . . . . 280 . . . 5382 1 284 . 1 1 65 65 GLU N N 15 120.95 . . . . . . . 281 . . . 5382 1 285 . 1 1 65 65 GLU H H 1 8.33 . . . . . . . 281 . . . 5382 1 286 . 1 1 65 65 GLU CA C 13 58.74 . . . . . . . 281 . . . 5382 1 287 . 1 1 65 65 GLU HA H 1 4.06 . . . . . . . 281 . . . 5382 1 288 . 1 1 65 65 GLU C C 13 181.07 . . . . . . . 281 . . . 5382 1 289 . 1 1 66 66 LYS N N 15 122.41 . . . . . . . 282 . . . 5382 1 290 . 1 1 66 66 LYS H H 1 8.01 . . . . . . . 282 . . . 5382 1 291 . 1 1 66 66 LYS CA C 13 58.6 . . . . . . . 282 . . . 5382 1 292 . 1 1 66 66 LYS HA H 1 4.21 . . . . . . . 282 . . . 5382 1 293 . 1 1 66 66 LYS C C 13 179.18 . . . . . . . 282 . . . 5382 1 294 . 1 1 67 67 MET N N 15 117.39 . . . . . . . 283 . . . 5382 1 295 . 1 1 67 67 MET H H 1 7.95 . . . . . . . 283 . . . 5382 1 296 . 1 1 67 67 MET CA C 13 57.84 . . . . . . . 283 . . . 5382 1 297 . 1 1 67 67 MET HA H 1 4.06 . . . . . . . 283 . . . 5382 1 298 . 1 1 67 67 MET C C 13 175.61 . . . . . . . 283 . . . 5382 1 299 . 1 1 68 68 GLY N N 15 103.67 . . . . . . . 284 . . . 5382 1 300 . 1 1 68 68 GLY H H 1 7.65 . . . . . . . 284 . . . 5382 1 301 . 1 1 68 68 GLY CA C 13 44.94 . . . . . . . 284 . . . 5382 1 302 . 1 1 68 68 GLY HA2 H 1 3.62 . . . . . . . 284 . . . 5382 1 303 . 1 1 68 68 GLY HA3 H 1 4.61 . . . . . . . 284 . . . 5382 1 304 . 1 1 69 69 ALA N N 15 126.43 . . . . . . . 285 . . . 5382 1 305 . 1 1 69 69 ALA H H 1 8.15 . . . . . . . 285 . . . 5382 1 306 . 1 1 69 69 ALA CA C 13 51.72 . . . . . . . 285 . . . 5382 1 307 . 1 1 69 69 ALA HA H 1 4.54 . . . . . . . 285 . . . 5382 1 308 . 1 1 69 69 ALA C C 13 176.58 . . . . . . . 285 . . . 5382 1 309 . 1 1 70 70 THR N N 15 115.43 . . . . . . . 286 . . . 5382 1 310 . 1 1 70 70 THR H H 1 8.15 . . . . . . . 286 . . . 5382 1 311 . 1 1 70 70 THR CA C 13 62.13 . . . . . . . 286 . . . 5382 1 312 . 1 1 70 70 THR HA H 1 4.65 . . . . . . . 286 . . . 5382 1 313 . 1 1 70 70 THR C C 13 174.02 . . . . . . . 286 . . . 5382 1 314 . 1 1 71 71 ILE N N 15 128.43 . . . . . . . 287 . . . 5382 1 315 . 1 1 71 71 ILE H H 1 9.04 . . . . . . . 287 . . . 5382 1 316 . 1 1 71 71 ILE CA C 13 56.93 . . . . . . . 287 . . . 5382 1 317 . 1 1 71 71 ILE HA H 1 5.25 . . . . . . . 287 . . . 5382 1 318 . 1 1 72 72 CYS N N 15 122.83 . . . . . . . 288 . . . 5382 1 319 . 1 1 72 72 CYS H H 1 8.66 . . . . . . . 288 . . . 5382 1 320 . 1 1 72 72 CYS CA C 13 56.97 . . . . . . . 288 . . . 5382 1 321 . 1 1 72 72 CYS HA H 1 4.67 . . . . . . . 288 . . . 5382 1 322 . 1 1 72 72 CYS C C 13 172.17 . . . . . . . 288 . . . 5382 1 323 . 1 1 73 73 TRP N N 15 120.97 . . . . . . . 289 . . . 5382 1 324 . 1 1 73 73 TRP H H 1 8.38 . . . . . . . 289 . . . 5382 1 325 . 1 1 73 73 TRP CA C 13 56.03 . . . . . . . 289 . . . 5382 1 326 . 1 1 73 73 TRP HA H 1 4.65 . . . . . . . 289 . . . 5382 1 327 . 1 1 73 73 TRP C C 13 174.66 . . . . . . . 289 . . . 5382 1 328 . 1 1 74 74 GLY N N 15 109.22 . . . . . . . 290 . . . 5382 1 329 . 1 1 74 74 GLY H H 1 7.32 . . . . . . . 290 . . . 5382 1 330 . 1 1 74 74 GLY CA C 13 43.37 . . . . . . . 290 . . . 5382 1 331 . 1 1 74 74 GLY HA2 H 1 3.89 . . . . . . . 290 . . . 5382 1 332 . 1 1 74 74 GLY HA3 H 1 4.25 . . . . . . . 290 . . . 5382 1 333 . 1 1 75 75 ASP N N 15 120.54 . . . . . . . 291 . . . 5382 1 334 . 1 1 75 75 ASP H H 1 8.74 . . . . . . . 291 . . . 5382 1 335 . 1 1 75 75 ASP CA C 13 57.06 . . . . . . . 291 . . . 5382 1 336 . 1 1 75 75 ASP HA H 1 4.41 . . . . . . . 291 . . . 5382 1 337 . 1 1 75 75 ASP C C 13 177.33 . . . . . . . 291 . . . 5382 1 338 . 1 1 76 76 ASP N N 15 115.27 . . . . . . . 292 . . . 5382 1 339 . 1 1 76 76 ASP H H 1 7.87 . . . . . . . 292 . . . 5382 1 340 . 1 1 76 76 ASP CA C 13 52.63 . . . . . . . 292 . . . 5382 1 341 . 1 1 76 76 ASP HA H 1 4.78 . . . . . . . 292 . . . 5382 1 342 . 1 1 76 76 ASP C C 13 174.81 . . . . . . . 292 . . . 5382 1 343 . 1 1 77 77 THR N N 15 113.32 . . . . . . . 293 . . . 5382 1 344 . 1 1 77 77 THR H H 1 6.97 . . . . . . . 293 . . . 5382 1 345 . 1 1 77 77 THR CA C 13 55.78 . . . . . . . 293 . . . 5382 1 346 . 1 1 77 77 THR HA H 1 5.2 . . . . . . . 293 . . . 5382 1 347 . 1 1 77 77 THR C C 13 172.97 . . . . . . . 293 . . . 5382 1 348 . 1 1 78 78 ILE N N 15 117.65 . . . . . . . 294 . . . 5382 1 349 . 1 1 78 78 ILE H H 1 8.49 . . . . . . . 294 . . . 5382 1 350 . 1 1 78 78 ILE CA C 13 60.77 . . . . . . . 294 . . . 5382 1 351 . 1 1 78 78 ILE HA H 1 4.53 . . . . . . . 294 . . . 5382 1 352 . 1 1 78 78 ILE C C 13 174.02 . . . . . . . 294 . . . 5382 1 353 . 1 1 79 79 SER N N 15 121.63 . . . . . . . 295 . . . 5382 1 354 . 1 1 79 79 SER H H 1 9.59 . . . . . . . 295 . . . 5382 1 355 . 1 1 79 79 SER CA C 13 55.6 . . . . . . . 295 . . . 5382 1 356 . 1 1 79 79 SER HA H 1 5.73 . . . . . . . 295 . . . 5382 1 357 . 1 1 79 79 SER C C 13 172.33 . . . . . . . 295 . . . 5382 1 358 . 1 1 80 80 CYS N N 15 123.3 . . . . . . . 296 . . . 5382 1 359 . 1 1 80 80 CYS H H 1 8.81 . . . . . . . 296 . . . 5382 1 360 . 1 1 80 80 CYS CA C 13 55.56 . . . . . . . 296 . . . 5382 1 361 . 1 1 80 80 CYS HA H 1 5.46 . . . . . . . 296 . . . 5382 1 362 . 1 1 80 80 CYS C C 13 172.05 . . . . . . . 296 . . . 5382 1 363 . 1 1 81 81 THR N N 15 126.56 . . . . . . . 297 . . . 5382 1 364 . 1 1 81 81 THR H H 1 9.19 . . . . . . . 297 . . . 5382 1 365 . 1 1 81 81 THR CA C 13 60.75 . . . . . . . 297 . . . 5382 1 366 . 1 1 81 81 THR HA H 1 5.26 . . . . . . . 297 . . . 5382 1 367 . 1 1 81 81 THR C C 13 172.68 . . . . . . . 297 . . . 5382 1 368 . 1 1 82 82 ARG N N 15 126.1 . . . . . . . 298 . . . 5382 1 369 . 1 1 82 82 ARG H H 1 7.45 . . . . . . . 298 . . . 5382 1 370 . 1 1 82 82 ARG CA C 13 57.72 . . . . . . . 298 . . . 5382 1 371 . 1 1 82 82 ARG HA H 1 4.78 . . . . . . . 298 . . . 5382 1 372 . 1 1 82 82 ARG C C 13 176.68 . . . . . . . 298 . . . 5382 1 373 . 1 1 83 83 GLY N N 15 119.93 . . . . . . . 299 . . . 5382 1 374 . 1 1 83 83 GLY H H 1 9.75 . . . . . . . 299 . . . 5382 1 375 . 1 1 83 83 GLY CA C 13 46.28 . . . . . . . 299 . . . 5382 1 376 . 1 1 83 83 GLY HA2 H 1 3.81 . . . . . . . 299 . . . 5382 1 377 . 1 1 83 83 GLY HA3 H 1 4.35 . . . . . . . 299 . . . 5382 1 378 . 1 1 84 84 GLU N N 15 127.24 . . . . . . . 300 . . . 5382 1 379 . 1 1 84 84 GLU H H 1 7.94 . . . . . . . 300 . . . 5382 1 380 . 1 1 84 84 GLU CA C 13 54.7 . . . . . . . 300 . . . 5382 1 381 . 1 1 84 84 GLU HA H 1 4.51 . . . . . . . 300 . . . 5382 1 382 . 1 1 84 84 GLU C C 13 174.7 . . . . . . . 300 . . . 5382 1 383 . 1 1 85 85 LEU N N 15 121.21 . . . . . . . 301 . . . 5382 1 384 . 1 1 85 85 LEU H H 1 8.59 . . . . . . . 301 . . . 5382 1 385 . 1 1 85 85 LEU CA C 13 54.76 . . . . . . . 301 . . . 5382 1 386 . 1 1 85 85 LEU HA H 1 4.74 . . . . . . . 301 . . . 5382 1 387 . 1 1 85 85 LEU C C 13 174.18 . . . . . . . 301 . . . 5382 1 388 . 1 1 86 86 ASN N N 15 127.78 . . . . . . . 302 . . . 5382 1 389 . 1 1 86 86 ASN H H 1 10.18 . . . . . . . 302 . . . 5382 1 390 . 1 1 86 86 ASN CA C 13 52.34 . . . . . . . 302 . . . 5382 1 391 . 1 1 86 86 ASN HA H 1 5.05 . . . . . . . 302 . . . 5382 1 392 . 1 1 86 86 ASN C C 13 172.78 . . . . . . . 302 . . . 5382 1 393 . 1 1 87 87 ALA N N 15 119.22 . . . . . . . 303 . . . 5382 1 394 . 1 1 87 87 ALA H H 1 7.81 . . . . . . . 303 . . . 5382 1 395 . 1 1 87 87 ALA CA C 13 52.23 . . . . . . . 303 . . . 5382 1 396 . 1 1 87 87 ALA HA H 1 4.98 . . . . . . . 303 . . . 5382 1 397 . 1 1 87 87 ALA C C 13 177.04 . . . . . . . 303 . . . 5382 1 398 . 1 1 88 88 ILE N N 15 111.05 . . . . . . . 304 . . . 5382 1 399 . 1 1 88 88 ILE H H 1 6.86 . . . . . . . 304 . . . 5382 1 400 . 1 1 88 88 ILE CA C 13 58.06 . . . . . . . 304 . . . 5382 1 401 . 1 1 88 88 ILE HA H 1 4.66 . . . . . . . 304 . . . 5382 1 402 . 1 1 88 88 ILE C C 13 173.17 . . . . . . . 304 . . . 5382 1 403 . 1 1 89 89 ASP N N 15 120.83 . . . . . . . 305 . . . 5382 1 404 . 1 1 89 89 ASP H H 1 8.01 . . . . . . . 305 . . . 5382 1 405 . 1 1 89 89 ASP CA C 13 52.31 . . . . . . . 305 . . . 5382 1 406 . 1 1 89 89 ASP HA H 1 5.67 . . . . . . . 305 . . . 5382 1 407 . 1 1 89 89 ASP C C 13 175.56 . . . . . . . 305 . . . 5382 1 408 . 1 1 90 90 MET N N 15 120 . . . . . . . 306 . . . 5382 1 409 . 1 1 90 90 MET H H 1 8.23 . . . . . . . 306 . . . 5382 1 410 . 1 1 90 90 MET CA C 13 54.66 . . . . . . . 306 . . . 5382 1 411 . 1 1 90 90 MET HA H 1 4.77 . . . . . . . 306 . . . 5382 1 412 . 1 1 90 90 MET C C 13 173.94 . . . . . . . 306 . . . 5382 1 413 . 1 1 91 91 ASP N N 15 124.18 . . . . . . . 307 . . . 5382 1 414 . 1 1 91 91 ASP H H 1 8.47 . . . . . . . 307 . . . 5382 1 415 . 1 1 91 91 ASP CA C 13 53.79 . . . . . . . 307 . . . 5382 1 416 . 1 1 91 91 ASP HA H 1 4.88 . . . . . . . 307 . . . 5382 1 417 . 1 1 91 91 ASP C C 13 176.6 . . . . . . . 307 . . . 5382 1 418 . 1 1 92 92 MET N N 15 123.47 . . . . . . . 308 . . . 5382 1 419 . 1 1 92 92 MET H H 1 8.53 . . . . . . . 308 . . . 5382 1 420 . 1 1 92 92 MET CA C 13 52.91 . . . . . . . 308 . . . 5382 1 421 . 1 1 92 92 MET HA H 1 4.25 . . . . . . . 308 . . . 5382 1 422 . 1 1 92 92 MET C C 13 177.72 . . . . . . . 308 . . . 5382 1 423 . 1 1 93 93 ASN N N 15 119.38 . . . . . . . 309 . . . 5382 1 424 . 1 1 93 93 ASN H H 1 8.97 . . . . . . . 309 . . . 5382 1 425 . 1 1 93 93 ASN CA C 13 57.31 . . . . . . . 309 . . . 5382 1 426 . 1 1 93 93 ASN HA H 1 5.06 . . . . . . . 309 . . . 5382 1 427 . 1 1 96 96 PRO CA C 13 64.86 . . . . . . . 312 . . . 5382 1 428 . 1 1 96 96 PRO C C 13 177.48 . . . . . . . 312 . . . 5382 1 429 . 1 1 97 97 ASP N N 15 115.49 . . . . . . . 313 . . . 5382 1 430 . 1 1 97 97 ASP H H 1 8.81 . . . . . . . 313 . . . 5382 1 431 . 1 1 97 97 ASP CA C 13 54.46 . . . . . . . 313 . . . 5382 1 432 . 1 1 97 97 ASP HA H 1 4.64 . . . . . . . 313 . . . 5382 1 433 . 1 1 97 97 ASP C C 13 178.41 . . . . . . . 313 . . . 5382 1 434 . 1 1 98 98 ALA N N 15 117.52 . . . . . . . 314 . . . 5382 1 435 . 1 1 98 98 ALA H H 1 7.94 . . . . . . . 314 . . . 5382 1 436 . 1 1 98 98 ALA CA C 13 54.56 . . . . . . . 314 . . . 5382 1 437 . 1 1 98 98 ALA HA H 1 4.17 . . . . . . . 314 . . . 5382 1 438 . 1 1 98 98 ALA C C 13 179.04 . . . . . . . 314 . . . 5382 1 439 . 1 1 99 99 ALA N N 15 119.15 . . . . . . . 315 . . . 5382 1 440 . 1 1 99 99 ALA H H 1 8.62 . . . . . . . 315 . . . 5382 1 441 . 1 1 99 99 ALA CA C 13 54.53 . . . . . . . 315 . . . 5382 1 442 . 1 1 99 99 ALA HA H 1 3.85 . . . . . . . 315 . . . 5382 1 443 . 1 1 99 99 ALA C C 13 178.15 . . . . . . . 315 . . . 5382 1 444 . 1 1 100 100 MET N N 15 119.54 . . . . . . . 316 . . . 5382 1 445 . 1 1 100 100 MET H H 1 8.21 . . . . . . . 316 . . . 5382 1 446 . 1 1 100 100 MET CA C 13 59.14 . . . . . . . 316 . . . 5382 1 447 . 1 1 100 100 MET HA H 1 4.42 . . . . . . . 316 . . . 5382 1 448 . 1 1 100 100 MET C C 13 176.71 . . . . . . . 316 . . . 5382 1 449 . 1 1 101 101 THR N N 15 113.98 . . . . . . . 317 . . . 5382 1 450 . 1 1 101 101 THR H H 1 7.3 . . . . . . . 317 . . . 5382 1 451 . 1 1 101 101 THR CA C 13 65.32 . . . . . . . 317 . . . 5382 1 452 . 1 1 101 101 THR HA H 1 4.04 . . . . . . . 317 . . . 5382 1 453 . 1 1 101 101 THR C C 13 176.21 . . . . . . . 317 . . . 5382 1 454 . 1 1 102 102 ILE N N 15 119.37 . . . . . . . 318 . . . 5382 1 455 . 1 1 102 102 ILE H H 1 7.31 . . . . . . . 318 . . . 5382 1 456 . 1 1 102 102 ILE CA C 13 60.97 . . . . . . . 318 . . . 5382 1 457 . 1 1 102 102 ILE HA H 1 3.7 . . . . . . . 318 . . . 5382 1 458 . 1 1 102 102 ILE C C 13 176.33 . . . . . . . 318 . . . 5382 1 459 . 1 1 103 103 ALA N N 15 120.65 . . . . . . . 319 . . . 5382 1 460 . 1 1 103 103 ALA H H 1 7.72 . . . . . . . 319 . . . 5382 1 461 . 1 1 103 103 ALA CA C 13 55 . . . . . . . 319 . . . 5382 1 462 . 1 1 103 103 ALA HA H 1 3.8 . . . . . . . 319 . . . 5382 1 463 . 1 1 103 103 ALA C C 13 176.39 . . . . . . . 319 . . . 5382 1 464 . 1 1 104 104 THR N N 15 102.42 . . . . . . . 320 . . . 5382 1 465 . 1 1 104 104 THR H H 1 6.94 . . . . . . . 320 . . . 5382 1 466 . 1 1 104 104 THR CA C 13 64.24 . . . . . . . 320 . . . 5382 1 467 . 1 1 104 104 THR HA H 1 4.14 . . . . . . . 320 . . . 5382 1 468 . 1 1 104 104 THR C C 13 178.07 . . . . . . . 320 . . . 5382 1 469 . 1 1 105 105 ALA N N 15 124.41 . . . . . . . 321 . . . 5382 1 470 . 1 1 105 105 ALA H H 1 8.31 . . . . . . . 321 . . . 5382 1 471 . 1 1 105 105 ALA CA C 13 54.77 . . . . . . . 321 . . . 5382 1 472 . 1 1 105 105 ALA HA H 1 3.75 . . . . . . . 321 . . . 5382 1 473 . 1 1 105 105 ALA C C 13 178.89 . . . . . . . 321 . . . 5382 1 474 . 1 1 106 106 ALA N N 15 116.64 . . . . . . . 322 . . . 5382 1 475 . 1 1 106 106 ALA H H 1 8.35 . . . . . . . 322 . . . 5382 1 476 . 1 1 106 106 ALA CA C 13 53.97 . . . . . . . 322 . . . 5382 1 477 . 1 1 106 106 ALA HA H 1 3.69 . . . . . . . 322 . . . 5382 1 478 . 1 1 106 106 ALA C C 13 179.8 . . . . . . . 322 . . . 5382 1 479 . 1 1 107 107 LEU N N 15 115.76 . . . . . . . 323 . . . 5382 1 480 . 1 1 107 107 LEU H H 1 7.6 . . . . . . . 323 . . . 5382 1 481 . 1 1 107 107 LEU CA C 13 56.61 . . . . . . . 323 . . . 5382 1 482 . 1 1 107 107 LEU HA H 1 4.14 . . . . . . . 323 . . . 5382 1 483 . 1 1 107 107 LEU C C 13 176.02 . . . . . . . 323 . . . 5382 1 484 . 1 1 108 108 PHE N N 15 114.31 . . . . . . . 324 . . . 5382 1 485 . 1 1 108 108 PHE H H 1 7.94 . . . . . . . 324 . . . 5382 1 486 . 1 1 108 108 PHE CA C 13 56.98 . . . . . . . 324 . . . 5382 1 487 . 1 1 108 108 PHE HA H 1 4.46 . . . . . . . 324 . . . 5382 1 488 . 1 1 108 108 PHE C C 13 174.84 . . . . . . . 324 . . . 5382 1 489 . 1 1 109 109 ALA N N 15 123.59 . . . . . . . 325 . . . 5382 1 490 . 1 1 109 109 ALA H H 1 7.23 . . . . . . . 325 . . . 5382 1 491 . 1 1 109 109 ALA CA C 13 49.94 . . . . . . . 325 . . . 5382 1 492 . 1 1 109 109 ALA HA H 1 4.52 . . . . . . . 325 . . . 5382 1 493 . 1 1 109 109 ALA C C 13 175.81 . . . . . . . 325 . . . 5382 1 494 . 1 1 110 110 LYS N N 15 118.88 . . . . . . . 326 . . . 5382 1 495 . 1 1 110 110 LYS H H 1 8.23 . . . . . . . 326 . . . 5382 1 496 . 1 1 110 110 LYS CA C 13 55.89 . . . . . . . 326 . . . 5382 1 497 . 1 1 110 110 LYS HA H 1 4.54 . . . . . . . 326 . . . 5382 1 498 . 1 1 110 110 LYS C C 13 176.58 . . . . . . . 326 . . . 5382 1 499 . 1 1 111 111 GLY N N 15 116.97 . . . . . . . 327 . . . 5382 1 500 . 1 1 111 111 GLY H H 1 8.53 . . . . . . . 327 . . . 5382 1 501 . 1 1 111 111 GLY CA C 13 43.49 . . . . . . . 327 . . . 5382 1 502 . 1 1 111 111 GLY HA2 H 1 3.76 . . . . . . . 327 . . . 5382 1 503 . 1 1 111 111 GLY HA3 H 1 4.42 . . . . . . . 327 . . . 5382 1 504 . 1 1 112 112 THR N N 15 116.03 . . . . . . . 328 . . . 5382 1 505 . 1 1 112 112 THR H H 1 8.23 . . . . . . . 328 . . . 5382 1 506 . 1 1 112 112 THR CA C 13 62.92 . . . . . . . 328 . . . 5382 1 507 . 1 1 112 112 THR HA H 1 4.8 . . . . . . . 328 . . . 5382 1 508 . 1 1 112 112 THR C C 13 174.87 . . . . . . . 328 . . . 5382 1 509 . 1 1 113 113 THR N N 15 131.03 . . . . . . . 329 . . . 5382 1 510 . 1 1 113 113 THR H H 1 8.82 . . . . . . . 329 . . . 5382 1 511 . 1 1 113 113 THR CA C 13 62.9 . . . . . . . 329 . . . 5382 1 512 . 1 1 113 113 THR HA H 1 4.99 . . . . . . . 329 . . . 5382 1 513 . 1 1 113 113 THR C C 13 173.86 . . . . . . . 329 . . . 5382 1 514 . 1 1 114 114 THR N N 15 123.57 . . . . . . . 330 . . . 5382 1 515 . 1 1 114 114 THR H H 1 9.21 . . . . . . . 330 . . . 5382 1 516 . 1 1 114 114 THR CA C 13 61.99 . . . . . . . 330 . . . 5382 1 517 . 1 1 114 114 THR HA H 1 5.13 . . . . . . . 330 . . . 5382 1 518 . 1 1 114 114 THR C C 13 172.09 . . . . . . . 330 . . . 5382 1 519 . 1 1 115 115 LEU N N 15 124.39 . . . . . . . 331 . . . 5382 1 520 . 1 1 115 115 LEU H H 1 8.64 . . . . . . . 331 . . . 5382 1 521 . 1 1 115 115 LEU CA C 13 52.53 . . . . . . . 331 . . . 5382 1 522 . 1 1 115 115 LEU HA H 1 5.02 . . . . . . . 331 . . . 5382 1 523 . 1 1 115 115 LEU C C 13 175.1 . . . . . . . 331 . . . 5382 1 524 . 1 1 116 116 ARG N N 15 119.2 . . . . . . . 332 . . . 5382 1 525 . 1 1 116 116 ARG H H 1 8.35 . . . . . . . 332 . . . 5382 1 526 . 1 1 116 116 ARG CA C 13 54.16 . . . . . . . 332 . . . 5382 1 527 . 1 1 116 116 ARG HA H 1 4.38 . . . . . . . 332 . . . 5382 1 528 . 1 1 116 116 ARG C C 13 175.6 . . . . . . . 332 . . . 5382 1 529 . 1 1 117 117 ASN N N 15 120.64 . . . . . . . 333 . . . 5382 1 530 . 1 1 117 117 ASN H H 1 8.89 . . . . . . . 333 . . . 5382 1 531 . 1 1 117 117 ASN CA C 13 52.82 . . . . . . . 333 . . . 5382 1 532 . 1 1 117 117 ASN HA H 1 5.22 . . . . . . . 333 . . . 5382 1 533 . 1 1 117 117 ASN C C 13 175.43 . . . . . . . 333 . . . 5382 1 534 . 1 1 118 118 ILE N N 15 109.21 . . . . . . . 334 . . . 5382 1 535 . 1 1 118 118 ILE H H 1 7.85 . . . . . . . 334 . . . 5382 1 536 . 1 1 118 118 ILE CA C 13 59.83 . . . . . . . 334 . . . 5382 1 537 . 1 1 118 118 ILE HA H 1 4.37 . . . . . . . 334 . . . 5382 1 538 . 1 1 118 118 ILE C C 13 177.28 . . . . . . . 334 . . . 5382 1 539 . 1 1 119 119 THR N N 15 123.49 . . . . . . . 335 . . . 5382 1 540 . 1 1 119 119 THR H H 1 8.07 . . . . . . . 335 . . . 5382 1 541 . 1 1 119 119 THR CA C 13 56.52 . . . . . . . 335 . . . 5382 1 542 . 1 1 119 119 THR HA H 1 4.16 . . . . . . . 335 . . . 5382 1 543 . 1 1 119 119 THR C C 13 174.72 . . . . . . . 335 . . . 5382 1 544 . 1 1 120 120 ASN N N 15 113.53 . . . . . . . 336 . . . 5382 1 545 . 1 1 120 120 ASN H H 1 9.35 . . . . . . . 336 . . . 5382 1 546 . 1 1 120 120 ASN CA C 13 54.12 . . . . . . . 336 . . . 5382 1 547 . 1 1 120 120 ASN HA H 1 4.54 . . . . . . . 336 . . . 5382 1 548 . 1 1 121 121 TRP CA C 13 59.82 . . . . . . . 337 . . . 5382 1 549 . 1 1 121 121 TRP C C 13 176.74 . . . . . . . 337 . . . 5382 1 550 . 1 1 122 122 ARG N N 15 122.74 . . . . . . . 338 . . . 5382 1 551 . 1 1 122 122 ARG H H 1 8.14 . . . . . . . 338 . . . 5382 1 552 . 1 1 122 122 ARG CA C 13 56.06 . . . . . . . 338 . . . 5382 1 553 . 1 1 122 122 ARG HA H 1 4.15 . . . . . . . 338 . . . 5382 1 554 . 1 1 122 122 ARG C C 13 177.65 . . . . . . . 338 . . . 5382 1 555 . 1 1 123 123 VAL N N 15 120.54 . . . . . . . 339 . . . 5382 1 556 . 1 1 123 123 VAL H H 1 8.3 . . . . . . . 339 . . . 5382 1 557 . 1 1 123 123 VAL CA C 13 58.71 . . . . . . . 339 . . . 5382 1 558 . 1 1 123 123 VAL HA H 1 4.53 . . . . . . . 339 . . . 5382 1 559 . 1 1 123 123 VAL C C 13 176.3 . . . . . . . 339 . . . 5382 1 560 . 1 1 124 124 LYS N N 15 114.89 . . . . . . . 340 . . . 5382 1 561 . 1 1 124 124 LYS H H 1 8.49 . . . . . . . 340 . . . 5382 1 562 . 1 1 124 124 LYS CA C 13 57.96 . . . . . . . 340 . . . 5382 1 563 . 1 1 124 124 LYS HA H 1 4.14 . . . . . . . 340 . . . 5382 1 564 . 1 1 124 124 LYS C C 13 176.87 . . . . . . . 340 . . . 5382 1 565 . 1 1 125 125 GLU N N 15 116.87 . . . . . . . 341 . . . 5382 1 566 . 1 1 125 125 GLU H H 1 8.38 . . . . . . . 341 . . . 5382 1 567 . 1 1 125 125 GLU CA C 13 58.46 . . . . . . . 341 . . . 5382 1 568 . 1 1 125 125 GLU HA H 1 3.93 . . . . . . . 341 . . . 5382 1 569 . 1 1 125 125 GLU C C 13 177.62 . . . . . . . 341 . . . 5382 1 570 . 1 1 126 126 THR N N 15 111.57 . . . . . . . 342 . . . 5382 1 571 . 1 1 126 126 THR H H 1 7.38 . . . . . . . 342 . . . 5382 1 572 . 1 1 126 126 THR CA C 13 61.02 . . . . . . . 342 . . . 5382 1 573 . 1 1 126 126 THR HA H 1 4.23 . . . . . . . 342 . . . 5382 1 574 . 1 1 126 126 THR C C 13 172.71 . . . . . . . 342 . . . 5382 1 575 . 1 1 127 127 ASP N N 15 121.47 . . . . . . . 343 . . . 5382 1 576 . 1 1 127 127 ASP H H 1 8.17 . . . . . . . 343 . . . 5382 1 577 . 1 1 127 127 ASP CA C 13 54.06 . . . . . . . 343 . . . 5382 1 578 . 1 1 127 127 ASP HA H 1 4.55 . . . . . . . 343 . . . 5382 1 579 . 1 1 127 127 ASP C C 13 177.05 . . . . . . . 343 . . . 5382 1 580 . 1 1 128 128 ARG N N 15 119.87 . . . . . . . 344 . . . 5382 1 581 . 1 1 128 128 ARG H H 1 8.19 . . . . . . . 344 . . . 5382 1 582 . 1 1 128 128 ARG CA C 13 59.14 . . . . . . . 344 . . . 5382 1 583 . 1 1 128 128 ARG HA H 1 4.33 . . . . . . . 344 . . . 5382 1 584 . 1 1 128 128 ARG C C 13 176.09 . . . . . . . 344 . . . 5382 1 585 . 1 1 129 129 LEU N N 15 114.75 . . . . . . . 345 . . . 5382 1 586 . 1 1 129 129 LEU H H 1 6.95 . . . . . . . 345 . . . 5382 1 587 . 1 1 129 129 LEU CA C 13 58.36 . . . . . . . 345 . . . 5382 1 588 . 1 1 129 129 LEU HA H 1 4.24 . . . . . . . 345 . . . 5382 1 589 . 1 1 130 130 PHE N N 15 119.91 . . . . . . . 346 . . . 5382 1 590 . 1 1 130 130 PHE H H 1 7.97 . . . . . . . 346 . . . 5382 1 591 . 1 1 130 130 PHE CA C 13 61.2 . . . . . . . 346 . . . 5382 1 592 . 1 1 130 130 PHE HA H 1 4.49 . . . . . . . 346 . . . 5382 1 593 . 1 1 130 130 PHE C C 13 179.07 . . . . . . . 346 . . . 5382 1 594 . 1 1 131 131 ALA N N 15 123.07 . . . . . . . 347 . . . 5382 1 595 . 1 1 131 131 ALA H H 1 8.12 . . . . . . . 347 . . . 5382 1 596 . 1 1 131 131 ALA CA C 13 55.1 . . . . . . . 347 . . . 5382 1 597 . 1 1 131 131 ALA HA H 1 4.15 . . . . . . . 347 . . . 5382 1 598 . 1 1 131 131 ALA C C 13 178.69 . . . . . . . 347 . . . 5382 1 599 . 1 1 132 132 MET N N 15 115.02 . . . . . . . 348 . . . 5382 1 600 . 1 1 132 132 MET H H 1 8.27 . . . . . . . 348 . . . 5382 1 601 . 1 1 132 132 MET CA C 13 57.80 . . . . . . . 348 . . . 5382 1 602 . 1 1 132 132 MET HA H 1 4.2 . . . . . . . 348 . . . 5382 1 603 . 1 1 132 132 MET C C 13 178.15 . . . . . . . 348 . . . 5382 1 604 . 1 1 133 133 ALA N N 15 118.99 . . . . . . . 349 . . . 5382 1 605 . 1 1 133 133 ALA H H 1 8.22 . . . . . . . 349 . . . 5382 1 606 . 1 1 133 133 ALA CA C 13 55.89 . . . . . . . 349 . . . 5382 1 607 . 1 1 133 133 ALA HA H 1 4.42 . . . . . . . 349 . . . 5382 1 608 . 1 1 134 134 THR N N 15 112.41 . . . . . . . 350 . . . 5382 1 609 . 1 1 134 134 THR H H 1 7.7 . . . . . . . 350 . . . 5382 1 610 . 1 1 134 134 THR CA C 13 66.57 . . . . . . . 350 . . . 5382 1 611 . 1 1 134 134 THR HA H 1 4.18 . . . . . . . 350 . . . 5382 1 612 . 1 1 134 134 THR C C 13 177.32 . . . . . . . 350 . . . 5382 1 613 . 1 1 135 135 GLU N N 15 119.53 . . . . . . . 351 . . . 5382 1 614 . 1 1 135 135 GLU H H 1 8.08 . . . . . . . 351 . . . 5382 1 615 . 1 1 135 135 GLU CA C 13 58.29 . . . . . . . 351 . . . 5382 1 616 . 1 1 135 135 GLU HA H 1 4.18 . . . . . . . 351 . . . 5382 1 617 . 1 1 135 135 GLU C C 13 178.86 . . . . . . . 351 . . . 5382 1 618 . 1 1 136 136 LEU N N 15 117.87 . . . . . . . 352 . . . 5382 1 619 . 1 1 136 136 LEU H H 1 8.87 . . . . . . . 352 . . . 5382 1 620 . 1 1 136 136 LEU CA C 13 57.54 . . . . . . . 352 . . . 5382 1 621 . 1 1 136 136 LEU HA H 1 3.18 . . . . . . . 352 . . . 5382 1 622 . 1 1 136 136 LEU C C 13 180.21 . . . . . . . 352 . . . 5382 1 623 . 1 1 137 137 ARG N N 15 116.33 . . . . . . . 353 . . . 5382 1 624 . 1 1 137 137 ARG H H 1 7.75 . . . . . . . 353 . . . 5382 1 625 . 1 1 137 137 ARG CA C 13 58.89 . . . . . . . 353 . . . 5382 1 626 . 1 1 137 137 ARG HA H 1 4 . . . . . . . 353 . . . 5382 1 627 . 1 1 137 137 ARG C C 13 181.37 . . . . . . . 353 . . . 5382 1 628 . 1 1 138 138 LYS N N 15 119.23 . . . . . . . 354 . . . 5382 1 629 . 1 1 138 138 LYS H H 1 7.44 . . . . . . . 354 . . . 5382 1 630 . 1 1 138 138 LYS CA C 13 59.5 . . . . . . . 354 . . . 5382 1 631 . 1 1 138 138 LYS HA H 1 4.41 . . . . . . . 354 . . . 5382 1 632 . 1 1 138 138 LYS C C 13 179.66 . . . . . . . 354 . . . 5382 1 633 . 1 1 139 139 VAL N N 15 109.6 . . . . . . . 355 . . . 5382 1 634 . 1 1 139 139 VAL H H 1 7.11 . . . . . . . 355 . . . 5382 1 635 . 1 1 139 139 VAL CA C 13 61.89 . . . . . . . 355 . . . 5382 1 636 . 1 1 139 139 VAL HA H 1 4 . . . . . . . 355 . . . 5382 1 637 . 1 1 139 139 VAL C C 13 175.46 . . . . . . . 355 . . . 5382 1 638 . 1 1 140 140 GLY N N 15 105.6 . . . . . . . 356 . . . 5382 1 639 . 1 1 140 140 GLY H H 1 7.58 . . . . . . . 356 . . . 5382 1 640 . 1 1 140 140 GLY CA C 13 44.22 . . . . . . . 356 . . . 5382 1 641 . 1 1 140 140 GLY HA2 H 1 3.62 . . . . . . . 356 . . . 5382 1 642 . 1 1 140 140 GLY HA3 H 1 4.56 . . . . . . . 356 . . . 5382 1 643 . 1 1 141 141 ALA N N 15 120.47 . . . . . . . 357 . . . 5382 1 644 . 1 1 141 141 ALA H H 1 7.3 . . . . . . . 357 . . . 5382 1 645 . 1 1 141 141 ALA CA C 13 51.97 . . . . . . . 357 . . . 5382 1 646 . 1 1 141 141 ALA HA H 1 4.13 . . . . . . . 357 . . . 5382 1 647 . 1 1 141 141 ALA C C 13 176.15 . . . . . . . 357 . . . 5382 1 648 . 1 1 142 142 GLU N N 15 122.29 . . . . . . . 358 . . . 5382 1 649 . 1 1 142 142 GLU H H 1 8.22 . . . . . . . 358 . . . 5382 1 650 . 1 1 142 142 GLU CA C 13 55.26 . . . . . . . 358 . . . 5382 1 651 . 1 1 142 142 GLU HA H 1 5.35 . . . . . . . 358 . . . 5382 1 652 . 1 1 142 142 GLU C C 13 175.79 . . . . . . . 358 . . . 5382 1 653 . 1 1 143 143 VAL N N 15 126.97 . . . . . . . 359 . . . 5382 1 654 . 1 1 143 143 VAL H H 1 9.06 . . . . . . . 359 . . . 5382 1 655 . 1 1 143 143 VAL CA C 13 59.81 . . . . . . . 359 . . . 5382 1 656 . 1 1 143 143 VAL HA H 1 5.16 . . . . . . . 359 . . . 5382 1 657 . 1 1 143 143 VAL C C 13 175.31 . . . . . . . 359 . . . 5382 1 658 . 1 1 144 144 GLU N N 15 129.71 . . . . . . . 360 . . . 5382 1 659 . 1 1 144 144 GLU H H 1 9.09 . . . . . . . 360 . . . 5382 1 660 . 1 1 144 144 GLU CA C 13 54.13 . . . . . . . 360 . . . 5382 1 661 . 1 1 144 144 GLU HA H 1 4.62 . . . . . . . 360 . . . 5382 1 662 . 1 1 144 144 GLU C C 13 174.17 . . . . . . . 360 . . . 5382 1 663 . 1 1 145 145 GLU N N 15 128.2 . . . . . . . 361 . . . 5382 1 664 . 1 1 145 145 GLU H H 1 8.96 . . . . . . . 361 . . . 5382 1 665 . 1 1 145 145 GLU CA C 13 54.65 . . . . . . . 361 . . . 5382 1 666 . 1 1 145 145 GLU HA H 1 4.99 . . . . . . . 361 . . . 5382 1 667 . 1 1 145 145 GLU C C 13 175.34 . . . . . . . 361 . . . 5382 1 668 . 1 1 146 146 GLY N N 15 114.11 . . . . . . . 362 . . . 5382 1 669 . 1 1 146 146 GLY H H 1 7.56 . . . . . . . 362 . . . 5382 1 670 . 1 1 146 146 GLY CA C 13 42.18 . . . . . . . 362 . . . 5382 1 671 . 1 1 146 146 GLY HA2 H 1 4.01 . . . . . . . 362 . . . 5382 1 672 . 1 1 146 146 GLY HA3 H 1 4.03 . . . . . . . 362 . . . 5382 1 673 . 1 1 147 147 HIS N N 15 119.08 . . . . . . . 363 . . . 5382 1 674 . 1 1 147 147 HIS H H 1 8.73 . . . . . . . 363 . . . 5382 1 675 . 1 1 147 147 HIS CA C 13 58.01 . . . . . . . 363 . . . 5382 1 676 . 1 1 147 147 HIS HA H 1 4.09 . . . . . . . 363 . . . 5382 1 677 . 1 1 147 147 HIS C C 13 173.08 . . . . . . . 363 . . . 5382 1 678 . 1 1 148 148 ASP N N 15 119.16 . . . . . . . 364 . . . 5382 1 679 . 1 1 148 148 ASP H H 1 8.74 . . . . . . . 364 . . . 5382 1 680 . 1 1 148 148 ASP CA C 13 59.76 . . . . . . . 364 . . . 5382 1 681 . 1 1 148 148 ASP HA H 1 4.78 . . . . . . . 364 . . . 5382 1 682 . 1 1 148 148 ASP C C 13 175.9 . . . . . . . 364 . . . 5382 1 683 . 1 1 149 149 THR N N 15 128.04 . . . . . . . 365 . . . 5382 1 684 . 1 1 149 149 THR H H 1 8.29 . . . . . . . 365 . . . 5382 1 685 . 1 1 149 149 THR CA C 13 52.83 . . . . . . . 365 . . . 5382 1 686 . 1 1 149 149 THR HA H 1 4.54 . . . . . . . 365 . . . 5382 1 687 . 1 1 149 149 THR C C 13 176.4 . . . . . . . 365 . . . 5382 1 688 . 1 1 150 150 ILE N N 15 124.14 . . . . . . . 366 . . . 5382 1 689 . 1 1 150 150 ILE H H 1 8.54 . . . . . . . 366 . . . 5382 1 690 . 1 1 150 150 ILE CA C 13 58.94 . . . . . . . 366 . . . 5382 1 691 . 1 1 150 150 ILE HA H 1 4.97 . . . . . . . 366 . . . 5382 1 692 . 1 1 150 150 ILE C C 13 171.76 . . . . . . . 366 . . . 5382 1 693 . 1 1 151 151 ARG N N 15 127.3 . . . . . . . 367 . . . 5382 1 694 . 1 1 151 151 ARG H H 1 8.69 . . . . . . . 367 . . . 5382 1 695 . 1 1 151 151 ARG CA C 13 54.33 . . . . . . . 367 . . . 5382 1 696 . 1 1 151 151 ARG HA H 1 5.58 . . . . . . . 367 . . . 5382 1 697 . 1 1 151 151 ARG C C 13 175.42 . . . . . . . 367 . . . 5382 1 698 . 1 1 152 152 ILE N N 15 126.62 . . . . . . . 368 . . . 5382 1 699 . 1 1 152 152 ILE H H 1 9.67 . . . . . . . 368 . . . 5382 1 700 . 1 1 152 152 ILE CA C 13 61.13 . . . . . . . 368 . . . 5382 1 701 . 1 1 152 152 ILE HA H 1 4.38 . . . . . . . 368 . . . 5382 1 702 . 1 1 152 152 ILE C C 13 173.51 . . . . . . . 368 . . . 5382 1 703 . 1 1 153 153 THR N N 15 125 . . . . . . . 369 . . . 5382 1 704 . 1 1 153 153 THR H H 1 9.14 . . . . . . . 369 . . . 5382 1 705 . 1 1 153 153 THR CA C 13 59.18 . . . . . . . 369 . . . 5382 1 706 . 1 1 153 153 THR HA H 1 5.16 . . . . . . . 369 . . . 5382 1 707 . 1 1 153 153 THR C C 13 174.53 . . . . . . . 369 . . . 5382 1 708 . 1 1 155 155 PRO CA C 13 61.17 . . . . . . . 371 . . . 5382 1 709 . 1 1 155 155 PRO HA H 1 4.01 . . . . . . . 371 . . . 5382 1 710 . 1 1 155 155 PRO C C 13 176.23 . . . . . . . 371 . . . 5382 1 711 . 1 1 156 156 GLU N N 15 120.12 . . . . . . . 372 . . . 5382 1 712 . 1 1 156 156 GLU H H 1 8.7 . . . . . . . 372 . . . 5382 1 713 . 1 1 156 156 GLU CA C 13 58.16 . . . . . . . 372 . . . 5382 1 714 . 1 1 156 156 GLU HA H 1 4.77 . . . . . . . 372 . . . 5382 1 715 . 1 1 156 156 GLU C C 13 176.69 . . . . . . . 372 . . . 5382 1 716 . 1 1 157 157 LYS N N 15 116.08 . . . . . . . 373 . . . 5382 1 717 . 1 1 157 157 LYS H H 1 7.57 . . . . . . . 373 . . . 5382 1 718 . 1 1 157 157 LYS CA C 13 54.21 . . . . . . . 373 . . . 5382 1 719 . 1 1 157 157 LYS HA H 1 4.56 . . . . . . . 373 . . . 5382 1 720 . 1 1 157 157 LYS C C 13 174.91 . . . . . . . 373 . . . 5382 1 721 . 1 1 158 158 LEU N N 15 125.09 . . . . . . . 374 . . . 5382 1 722 . 1 1 158 158 LEU H H 1 8.76 . . . . . . . 374 . . . 5382 1 723 . 1 1 158 158 LEU CA C 13 55.04 . . . . . . . 374 . . . 5382 1 724 . 1 1 158 158 LEU HA H 1 4.49 . . . . . . . 374 . . . 5382 1 725 . 1 1 158 158 LEU C C 13 176.81 . . . . . . . 374 . . . 5382 1 726 . 1 1 159 159 ASN N N 15 117.64 . . . . . . . 375 . . . 5382 1 727 . 1 1 159 159 ASN H H 1 8.23 . . . . . . . 375 . . . 5382 1 728 . 1 1 159 159 ASN CA C 13 51.33 . . . . . . . 375 . . . 5382 1 729 . 1 1 159 159 ASN HA H 1 4.91 . . . . . . . 375 . . . 5382 1 730 . 1 1 159 159 ASN C C 13 174.51 . . . . . . . 375 . . . 5382 1 731 . 1 1 160 160 PHE N N 15 121.02 . . . . . . . 376 . . . 5382 1 732 . 1 1 160 160 PHE H H 1 8.49 . . . . . . . 376 . . . 5382 1 733 . 1 1 160 160 PHE CA C 13 56.11 . . . . . . . 376 . . . 5382 1 734 . 1 1 160 160 PHE HA H 1 4.78 . . . . . . . 376 . . . 5382 1 735 . 1 1 160 160 PHE C C 13 174.19 . . . . . . . 376 . . . 5382 1 736 . 1 1 161 161 ALA N N 15 133.92 . . . . . . . 377 . . . 5382 1 737 . 1 1 161 161 ALA H H 1 9.03 . . . . . . . 377 . . . 5382 1 738 . 1 1 161 161 ALA CA C 13 50.21 . . . . . . . 377 . . . 5382 1 739 . 1 1 161 161 ALA HA H 1 4.25 . . . . . . . 377 . . . 5382 1 740 . 1 1 161 161 ALA C C 13 173.51 . . . . . . . 377 . . . 5382 1 741 . 1 1 162 162 GLU N N 15 116.71 . . . . . . . 378 . . . 5382 1 742 . 1 1 162 162 GLU H H 1 7.72 . . . . . . . 378 . . . 5382 1 743 . 1 1 162 162 GLU CA C 13 53.91 . . . . . . . 378 . . . 5382 1 744 . 1 1 162 162 GLU HA H 1 4.55 . . . . . . . 378 . . . 5382 1 745 . 1 1 162 162 GLU C C 13 174.72 . . . . . . . 378 . . . 5382 1 746 . 1 1 163 163 ILE N N 15 125.56 . . . . . . . 379 . . . 5382 1 747 . 1 1 163 163 ILE H H 1 8.96 . . . . . . . 379 . . . 5382 1 748 . 1 1 163 163 ILE CA C 13 56.86 . . . . . . . 379 . . . 5382 1 749 . 1 1 163 163 ILE HA H 1 4.77 . . . . . . . 379 . . . 5382 1 750 . 1 1 163 163 ILE C C 13 175.49 . . . . . . . 379 . . . 5382 1 751 . 1 1 164 164 ALA N N 15 131.26 . . . . . . . 380 . . . 5382 1 752 . 1 1 164 164 ALA H H 1 7.95 . . . . . . . 380 . . . 5382 1 753 . 1 1 164 164 ALA CA C 13 51.04 . . . . . . . 380 . . . 5382 1 754 . 1 1 164 164 ALA HA H 1 4.15 . . . . . . . 380 . . . 5382 1 755 . 1 1 164 164 ALA C C 13 176.23 . . . . . . . 380 . . . 5382 1 756 . 1 1 165 165 THR N N 15 102.3 . . . . . . . 381 . . . 5382 1 757 . 1 1 165 165 THR H H 1 7.45 . . . . . . . 381 . . . 5382 1 758 . 1 1 165 165 THR CA C 13 59.76 . . . . . . . 381 . . . 5382 1 759 . 1 1 165 165 THR HA H 1 4.14 . . . . . . . 381 . . . 5382 1 760 . 1 1 165 165 THR C C 13 176.43 . . . . . . . 381 . . . 5382 1 761 . 1 1 166 166 THR N N 15 115.72 . . . . . . . 382 . . . 5382 1 762 . 1 1 166 166 THR H H 1 7.67 . . . . . . . 382 . . . 5382 1 763 . 1 1 166 166 THR CA C 13 58.76 . . . . . . . 382 . . . 5382 1 764 . 1 1 166 166 THR HA H 1 4.2 . . . . . . . 382 . . . 5382 1 765 . 1 1 166 166 THR C C 13 174.72 . . . . . . . 382 . . . 5382 1 766 . 1 1 167 167 ASN N N 15 113.34 . . . . . . . 383 . . . 5382 1 767 . 1 1 167 167 ASN H H 1 9.32 . . . . . . . 383 . . . 5382 1 768 . 1 1 167 167 ASN CA C 13 54.11 . . . . . . . 383 . . . 5382 1 769 . 1 1 167 167 ASN HA H 1 4.21 . . . . . . . 383 . . . 5382 1 770 . 1 1 167 167 ASN C C 13 174.4 . . . . . . . 383 . . . 5382 1 771 . 1 1 168 168 ASP N N 15 119.07 . . . . . . . 384 . . . 5382 1 772 . 1 1 168 168 ASP H H 1 8.45 . . . . . . . 384 . . . 5382 1 773 . 1 1 168 168 ASP CA C 13 52.71 . . . . . . . 384 . . . 5382 1 774 . 1 1 168 168 ASP HA H 1 4.54 . . . . . . . 384 . . . 5382 1 775 . 1 1 168 168 ASP C C 13 178.98 . . . . . . . 384 . . . 5382 1 776 . 1 1 169 169 HIS N N 15 123.16 . . . . . . . 385 . . . 5382 1 777 . 1 1 169 169 HIS H H 1 8.01 . . . . . . . 385 . . . 5382 1 778 . 1 1 169 169 HIS CA C 13 52.09 . . . . . . . 385 . . . 5382 1 779 . 1 1 169 169 HIS HA H 1 4.46 . . . . . . . 385 . . . 5382 1 780 . 1 1 169 169 HIS C C 13 177.86 . . . . . . . 385 . . . 5382 1 781 . 1 1 170 170 ARG N N 15 116.46 . . . . . . . 386 . . . 5382 1 782 . 1 1 170 170 ARG H H 1 8.84 . . . . . . . 386 . . . 5382 1 783 . 1 1 170 170 ARG CA C 13 58.29 . . . . . . . 386 . . . 5382 1 784 . 1 1 170 170 ARG HA H 1 4.4 . . . . . . . 386 . . . 5382 1 785 . 1 1 170 170 ARG C C 13 179.89 . . . . . . . 386 . . . 5382 1 786 . 1 1 171 171 MET N N 15 116.48 . . . . . . . 387 . . . 5382 1 787 . 1 1 171 171 MET H H 1 7.44 . . . . . . . 387 . . . 5382 1 788 . 1 1 171 171 MET CA C 13 56.56 . . . . . . . 387 . . . 5382 1 789 . 1 1 171 171 MET HA H 1 4.39 . . . . . . . 387 . . . 5382 1 790 . 1 1 171 171 MET C C 13 178.17 . . . . . . . 387 . . . 5382 1 791 . 1 1 172 172 ALA N N 15 118.68 . . . . . . . 388 . . . 5382 1 792 . 1 1 172 172 ALA H H 1 6.75 . . . . . . . 388 . . . 5382 1 793 . 1 1 172 172 ALA CA C 13 54.73 . . . . . . . 388 . . . 5382 1 794 . 1 1 172 172 ALA HA H 1 3.84 . . . . . . . 388 . . . 5382 1 795 . 1 1 172 172 ALA C C 13 177.66 . . . . . . . 388 . . . 5382 1 796 . 1 1 173 173 MET N N 15 113.43 . . . . . . . 389 . . . 5382 1 797 . 1 1 173 173 MET H H 1 7.37 . . . . . . . 389 . . . 5382 1 798 . 1 1 173 173 MET CA C 13 58.78 . . . . . . . 389 . . . 5382 1 799 . 1 1 173 173 MET HA H 1 3.03 . . . . . . . 389 . . . 5382 1 800 . 1 1 173 173 MET C C 13 179.34 . . . . . . . 389 . . . 5382 1 801 . 1 1 174 174 CYS N N 15 118.25 . . . . . . . 390 . . . 5382 1 802 . 1 1 174 174 CYS H H 1 8.66 . . . . . . . 390 . . . 5382 1 803 . 1 1 174 174 CYS CA C 13 64.6 . . . . . . . 390 . . . 5382 1 804 . 1 1 174 174 CYS HA H 1 4.01 . . . . . . . 390 . . . 5382 1 805 . 1 1 174 174 CYS C C 13 177.36 . . . . . . . 390 . . . 5382 1 806 . 1 1 175 175 PHE N N 15 115.42 . . . . . . . 391 . . . 5382 1 807 . 1 1 175 175 PHE H H 1 7.82 . . . . . . . 391 . . . 5382 1 808 . 1 1 175 175 PHE CA C 13 62.36 . . . . . . . 391 . . . 5382 1 809 . 1 1 175 175 PHE HA H 1 4.14 . . . . . . . 391 . . . 5382 1 810 . 1 1 175 175 PHE C C 13 177.34 . . . . . . . 391 . . . 5382 1 811 . 1 1 176 176 SER N N 15 116.29 . . . . . . . 392 . . . 5382 1 812 . 1 1 176 176 SER H H 1 7.52 . . . . . . . 392 . . . 5382 1 813 . 1 1 176 176 SER CA C 13 61.8 . . . . . . . 392 . . . 5382 1 814 . 1 1 176 176 SER HA H 1 4.03 . . . . . . . 392 . . . 5382 1 815 . 1 1 176 176 SER C C 13 173.66 . . . . . . . 392 . . . 5382 1 816 . 1 1 177 177 LEU N N 15 115.08 . . . . . . . 393 . . . 5382 1 817 . 1 1 177 177 LEU H H 1 6.91 . . . . . . . 393 . . . 5382 1 818 . 1 1 177 177 LEU CA C 13 55.49 . . . . . . . 393 . . . 5382 1 819 . 1 1 177 177 LEU HA H 1 3.88 . . . . . . . 393 . . . 5382 1 820 . 1 1 177 177 LEU C C 13 178.26 . . . . . . . 393 . . . 5382 1 821 . 1 1 178 178 VAL N N 15 116.85 . . . . . . . 394 . . . 5382 1 822 . 1 1 178 178 VAL H H 1 7.67 . . . . . . . 394 . . . 5382 1 823 . 1 1 178 178 VAL CA C 13 66.1 . . . . . . . 394 . . . 5382 1 824 . 1 1 178 178 VAL HA H 1 3.63 . . . . . . . 394 . . . 5382 1 825 . 1 1 178 178 VAL C C 13 176.04 . . . . . . . 394 . . . 5382 1 826 . 1 1 179 179 ALA N N 15 117.93 . . . . . . . 395 . . . 5382 1 827 . 1 1 179 179 ALA H H 1 7.14 . . . . . . . 395 . . . 5382 1 828 . 1 1 179 179 ALA CA C 13 52.77 . . . . . . . 395 . . . 5382 1 829 . 1 1 179 179 ALA HA H 1 3.89 . . . . . . . 395 . . . 5382 1 830 . 1 1 179 179 ALA C C 13 175.92 . . . . . . . 395 . . . 5382 1 831 . 1 1 180 180 LEU N N 15 119 . . . . . . . 396 . . . 5382 1 832 . 1 1 180 180 LEU H H 1 7.6 . . . . . . . 396 . . . 5382 1 833 . 1 1 180 180 LEU CA C 13 53.84 . . . . . . . 396 . . . 5382 1 834 . 1 1 180 180 LEU HA H 1 4.56 . . . . . . . 396 . . . 5382 1 835 . 1 1 180 180 LEU C C 13 176.37 . . . . . . . 396 . . . 5382 1 836 . 1 1 181 181 SER N N 15 115.64 . . . . . . . 397 . . . 5382 1 837 . 1 1 181 181 SER H H 1 8.34 . . . . . . . 397 . . . 5382 1 838 . 1 1 181 181 SER CA C 13 58.06 . . . . . . . 397 . . . 5382 1 839 . 1 1 181 181 SER HA H 1 4.37 . . . . . . . 397 . . . 5382 1 840 . 1 1 181 181 SER C C 13 172.64 . . . . . . . 397 . . . 5382 1 841 . 1 1 182 182 ASP N N 15 115.29 . . . . . . . 398 . . . 5382 1 842 . 1 1 182 182 ASP H H 1 8.04 . . . . . . . 398 . . . 5382 1 843 . 1 1 182 182 ASP CA C 13 53.44 . . . . . . . 398 . . . 5382 1 844 . 1 1 182 182 ASP HA H 1 4.7 . . . . . . . 398 . . . 5382 1 845 . 1 1 182 182 ASP C C 13 175.8 . . . . . . . 398 . . . 5382 1 846 . 1 1 183 183 THR N N 15 120.92 . . . . . . . 399 . . . 5382 1 847 . 1 1 183 183 THR H H 1 9.12 . . . . . . . 399 . . . 5382 1 848 . 1 1 183 183 THR CA C 13 58.61 . . . . . . . 399 . . . 5382 1 849 . 1 1 183 183 THR HA H 1 5.78 . . . . . . . 399 . . . 5382 1 850 . 1 1 184 184 PRO CA C 13 61.02 . . . . . . . 400 . . . 5382 1 851 . 1 1 184 184 PRO HA H 1 4.76 . . . . . . . 400 . . . 5382 1 852 . 1 1 184 184 PRO C C 13 175.4 . . . . . . . 400 . . . 5382 1 853 . 1 1 185 185 VAL N N 15 114.07 . . . . . . . 401 . . . 5382 1 854 . 1 1 185 185 VAL H H 1 8.03 . . . . . . . 401 . . . 5382 1 855 . 1 1 185 185 VAL CA C 13 60.36 . . . . . . . 401 . . . 5382 1 856 . 1 1 185 185 VAL HA H 1 4.75 . . . . . . . 401 . . . 5382 1 857 . 1 1 185 185 VAL C C 13 172.03 . . . . . . . 401 . . . 5382 1 858 . 1 1 186 186 THR N N 15 125.14 . . . . . . . 402 . . . 5382 1 859 . 1 1 186 186 THR H H 1 8.24 . . . . . . . 402 . . . 5382 1 860 . 1 1 186 186 THR CA C 13 61.32 . . . . . . . 402 . . . 5382 1 861 . 1 1 186 186 THR HA H 1 5.2 . . . . . . . 402 . . . 5382 1 862 . 1 1 186 186 THR C C 13 172.03 . . . . . . . 402 . . . 5382 1 863 . 1 1 187 187 ILE N N 15 128.6 . . . . . . . 403 . . . 5382 1 864 . 1 1 187 187 ILE H H 1 9.47 . . . . . . . 403 . . . 5382 1 865 . 1 1 187 187 ILE CA C 13 58.2 . . . . . . . 403 . . . 5382 1 866 . 1 1 187 187 ILE HA H 1 4.1 . . . . . . . 403 . . . 5382 1 867 . 1 1 187 187 ILE C C 13 175.38 . . . . . . . 403 . . . 5382 1 868 . 1 1 188 188 LEU N N 15 127.51 . . . . . . . 404 . . . 5382 1 869 . 1 1 188 188 LEU H H 1 8.57 . . . . . . . 404 . . . 5382 1 870 . 1 1 188 188 LEU CA C 13 54.54 . . . . . . . 404 . . . 5382 1 871 . 1 1 188 188 LEU HA H 1 4.44 . . . . . . . 404 . . . 5382 1 872 . 1 1 188 188 LEU C C 13 176.39 . . . . . . . 404 . . . 5382 1 873 . 1 1 189 189 ASP N N 15 116.83 . . . . . . . 405 . . . 5382 1 874 . 1 1 189 189 ASP H H 1 8.61 . . . . . . . 405 . . . 5382 1 875 . 1 1 189 189 ASP CA C 13 54.16 . . . . . . . 405 . . . 5382 1 876 . 1 1 189 189 ASP HA H 1 4.97 . . . . . . . 405 . . . 5382 1 877 . 1 1 189 189 ASP C C 13 176.33 . . . . . . . 405 . . . 5382 1 878 . 1 1 190 190 PRO CA C 13 64.52 . . . . . . . 406 . . . 5382 1 879 . 1 1 190 190 PRO HA H 1 4.45 . . . . . . . 406 . . . 5382 1 880 . 1 1 190 190 PRO C C 13 177.7 . . . . . . . 406 . . . 5382 1 881 . 1 1 191 191 LYS N N 15 118.8 . . . . . . . 407 . . . 5382 1 882 . 1 1 191 191 LYS H H 1 8.77 . . . . . . . 407 . . . 5382 1 883 . 1 1 191 191 LYS CA C 13 57.95 . . . . . . . 407 . . . 5382 1 884 . 1 1 191 191 LYS HA H 1 4.33 . . . . . . . 407 . . . 5382 1 885 . 1 1 191 191 LYS C C 13 174.68 . . . . . . . 407 . . . 5382 1 886 . 1 1 192 192 CYS N N 15 120.58 . . . . . . . 408 . . . 5382 1 887 . 1 1 192 192 CYS H H 1 8.29 . . . . . . . 408 . . . 5382 1 888 . 1 1 192 192 CYS CA C 13 60.77 . . . . . . . 408 . . . 5382 1 889 . 1 1 192 192 CYS HA H 1 4.63 . . . . . . . 408 . . . 5382 1 890 . 1 1 192 192 CYS C C 13 176.69 . . . . . . . 408 . . . 5382 1 891 . 1 1 193 193 THR N N 15 111.91 . . . . . . . 409 . . . 5382 1 892 . 1 1 193 193 THR H H 1 7.75 . . . . . . . 409 . . . 5382 1 893 . 1 1 193 193 THR CA C 13 63.39 . . . . . . . 409 . . . 5382 1 894 . 1 1 193 193 THR HA H 1 4.31 . . . . . . . 409 . . . 5382 1 895 . 1 1 193 193 THR C C 13 175.58 . . . . . . . 409 . . . 5382 1 896 . 1 1 194 194 ALA N N 15 123.31 . . . . . . . 410 . . . 5382 1 897 . 1 1 194 194 ALA H H 1 7.9 . . . . . . . 410 . . . 5382 1 898 . 1 1 194 194 ALA CA C 13 55.46 . . . . . . . 410 . . . 5382 1 899 . 1 1 194 194 ALA HA H 1 4.16 . . . . . . . 410 . . . 5382 1 900 . 1 1 194 194 ALA C C 13 177.97 . . . . . . . 410 . . . 5382 1 901 . 1 1 195 195 LYS N N 15 114.31 . . . . . . . 411 . . . 5382 1 902 . 1 1 195 195 LYS H H 1 7.76 . . . . . . . 411 . . . 5382 1 903 . 1 1 195 195 LYS CA C 13 57.65 . . . . . . . 411 . . . 5382 1 904 . 1 1 195 195 LYS HA H 1 4.14 . . . . . . . 411 . . . 5382 1 905 . 1 1 195 195 LYS C C 13 177.38 . . . . . . . 411 . . . 5382 1 906 . 1 1 196 196 THR N N 15 109.24 . . . . . . . 412 . . . 5382 1 907 . 1 1 196 196 THR H H 1 7.46 . . . . . . . 412 . . . 5382 1 908 . 1 1 196 196 THR CA C 13 62.31 . . . . . . . 412 . . . 5382 1 909 . 1 1 196 196 THR HA H 1 4.14 . . . . . . . 412 . . . 5382 1 910 . 1 1 196 196 THR C C 13 176.85 . . . . . . . 412 . . . 5382 1 911 . 1 1 197 197 PHE N N 15 120.91 . . . . . . . 413 . . . 5382 1 912 . 1 1 197 197 PHE H H 1 8.25 . . . . . . . 413 . . . 5382 1 913 . 1 1 197 197 PHE CA C 13 62.28 . . . . . . . 413 . . . 5382 1 914 . 1 1 197 197 PHE HA H 1 4.63 . . . . . . . 413 . . . 5382 1 915 . 1 1 198 198 PRO CA C 13 64.82 . . . . . . . 414 . . . 5382 1 916 . 1 1 198 198 PRO HA H 1 4.27 . . . . . . . 414 . . . 5382 1 917 . 1 1 198 198 PRO C C 13 177.48 . . . . . . . 414 . . . 5382 1 918 . 1 1 199 199 ASP N N 15 115.23 . . . . . . . 415 . . . 5382 1 919 . 1 1 199 199 ASP H H 1 8.85 . . . . . . . 415 . . . 5382 1 920 . 1 1 199 199 ASP CA C 13 52.74 . . . . . . . 415 . . . 5382 1 921 . 1 1 199 199 ASP HA H 1 3.36 . . . . . . . 415 . . . 5382 1 922 . 1 1 199 199 ASP C C 13 176.09 . . . . . . . 415 . . . 5382 1 923 . 1 1 200 200 THR N N 15 120.32 . . . . . . . 416 . . . 5382 1 924 . 1 1 200 200 THR H H 1 7.53 . . . . . . . 416 . . . 5382 1 925 . 1 1 200 200 THR CA C 13 63.03 . . . . . . . 416 . . . 5382 1 926 . 1 1 200 200 THR HA H 1 4.09 . . . . . . . 416 . . . 5382 1 927 . 1 1 200 200 THR C C 13 175.9 . . . . . . . 416 . . . 5382 1 928 . 1 1 201 201 PHE N N 15 113.99 . . . . . . . 417 . . . 5382 1 929 . 1 1 201 201 PHE H H 1 8.1 . . . . . . . 417 . . . 5382 1 930 . 1 1 201 201 PHE CA C 13 62.25 . . . . . . . 417 . . . 5382 1 931 . 1 1 201 201 PHE HA H 1 3.72 . . . . . . . 417 . . . 5382 1 932 . 1 1 201 201 PHE C C 13 179.14 . . . . . . . 417 . . . 5382 1 933 . 1 1 202 202 GLU N N 15 122.23 . . . . . . . 418 . . . 5382 1 934 . 1 1 202 202 GLU H H 1 8.06 . . . . . . . 418 . . . 5382 1 935 . 1 1 202 202 GLU CA C 13 59.29 . . . . . . . 418 . . . 5382 1 936 . 1 1 202 202 GLU HA H 1 4.09 . . . . . . . 418 . . . 5382 1 937 . 1 1 202 202 GLU C C 13 179.49 . . . . . . . 418 . . . 5382 1 938 . 1 1 203 203 GLN N N 15 120.4 . . . . . . . 419 . . . 5382 1 939 . 1 1 203 203 GLN H H 1 8.32 . . . . . . . 419 . . . 5382 1 940 . 1 1 203 203 GLN CA C 13 58.71 . . . . . . . 419 . . . 5382 1 941 . 1 1 203 203 GLN HA H 1 3.72 . . . . . . . 419 . . . 5382 1 942 . 1 1 203 203 GLN C C 13 178.16 . . . . . . . 419 . . . 5382 1 943 . 1 1 204 204 LEU N N 15 118.48 . . . . . . . 420 . . . 5382 1 944 . 1 1 204 204 LEU H H 1 8.12 . . . . . . . 420 . . . 5382 1 945 . 1 1 204 204 LEU CA C 13 57.16 . . . . . . . 420 . . . 5382 1 946 . 1 1 204 204 LEU HA H 1 3.92 . . . . . . . 420 . . . 5382 1 947 . 1 1 204 204 LEU C C 13 179.57 . . . . . . . 420 . . . 5382 1 948 . 1 1 205 205 ALA N N 15 120.69 . . . . . . . 421 . . . 5382 1 949 . 1 1 205 205 ALA H H 1 7.91 . . . . . . . 421 . . . 5382 1 950 . 1 1 205 205 ALA CA C 13 54.67 . . . . . . . 421 . . . 5382 1 951 . 1 1 205 205 ALA HA H 1 3.97 . . . . . . . 421 . . . 5382 1 952 . 1 1 205 205 ALA C C 13 180.6 . . . . . . . 421 . . . 5382 1 953 . 1 1 206 206 ARG N N 15 117.76 . . . . . . . 422 . . . 5382 1 954 . 1 1 206 206 ARG H H 1 7.74 . . . . . . . 422 . . . 5382 1 955 . 1 1 206 206 ARG CA C 13 58.88 . . . . . . . 422 . . . 5382 1 956 . 1 1 206 206 ARG HA H 1 4.12 . . . . . . . 422 . . . 5382 1 957 . 1 1 206 206 ARG C C 13 178.61 . . . . . . . 422 . . . 5382 1 958 . 1 1 207 207 ILE N N 15 108.16 . . . . . . . 423 . . . 5382 1 959 . 1 1 207 207 ILE H H 1 7.29 . . . . . . . 423 . . . 5382 1 960 . 1 1 207 207 ILE CA C 13 61.11 . . . . . . . 423 . . . 5382 1 961 . 1 1 207 207 ILE HA H 1 4.61 . . . . . . . 423 . . . 5382 1 962 . 1 1 207 207 ILE C C 13 175.16 . . . . . . . 423 . . . 5382 1 963 . 1 1 208 208 SER N N 15 118.45 . . . . . . . 424 . . . 5382 1 964 . 1 1 208 208 SER H H 1 7.36 . . . . . . . 424 . . . 5382 1 965 . 1 1 208 208 SER CA C 13 59.45 . . . . . . . 424 . . . 5382 1 966 . 1 1 208 208 SER HA H 1 4.02 . . . . . . . 424 . . . 5382 1 967 . 1 1 208 208 SER C C 13 173.32 . . . . . . . 424 . . . 5382 1 968 . 1 1 209 209 GLN N N 15 122.72 . . . . . . . 425 . . . 5382 1 969 . 1 1 209 209 GLN H H 1 8.6 . . . . . . . 425 . . . 5382 1 970 . 1 1 209 209 GLN CA C 13 53.58 . . . . . . . 425 . . . 5382 1 971 . 1 1 209 209 GLN HA H 1 4.26 . . . . . . . 425 . . . 5382 1 972 . 1 1 209 209 GLN C C 13 175.27 . . . . . . . 425 . . . 5382 1 973 . 1 1 210 210 ALA N N 15 126.33 . . . . . . . 426 . . . 5382 1 974 . 1 1 210 210 ALA H H 1 8.6 . . . . . . . 426 . . . 5382 1 975 . 1 1 210 210 ALA CA C 13 52.43 . . . . . . . 426 . . . 5382 1 976 . 1 1 210 210 ALA HA H 1 4.31 . . . . . . . 426 . . . 5382 1 977 . 1 1 210 210 ALA C C 13 176.78 . . . . . . . 426 . . . 5382 1 978 . 1 1 211 211 ALA N N 15 127.52 . . . . . . . 427 . . . 5382 1 979 . 1 1 211 211 ALA H H 1 8 . . . . . . . 427 . . . 5382 1 980 . 1 1 211 211 ALA CA C 13 53.56 . . . . . . . 427 . . . 5382 1 981 . 1 1 211 211 ALA HA H 1 3.98 . . . . . . . 427 . . . 5382 1 982 . 1 1 211 211 ALA C C 13 182.31 . . . . . . . 427 . . . 5382 1 stop_ save_