data_53380 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53380 _Entry.Title ; Backbone resonance assignment of the CS-SGS region of yeast SGT1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-03 _Entry.Accession_date 2025-10-03 _Entry.Last_release_date 2025-10-03 _Entry.Original_release_date 2025-10-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Abraham Lopez . . . 0000-0003-1355-8006 53380 2 Florent Delhommel . . . 0000-0001-7021-087X 53380 3 Michael Sattler . . . 0000-0002-1594-0527 53380 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53380 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 558 53380 '15N chemical shifts' 172 53380 '1H chemical shifts' 172 53380 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 . . 2026-01-15 . original BMRB . 53380 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53380 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41435837 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The essential co-chaperone Sgt1 regulates client dwell time in the Hsp90 chaperone cycle ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular cell' _Citation.Journal_volume 86 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4164 _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 166 _Citation.Page_last 179 _Citation.Year 2026 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sonja Engler . . . . 53380 1 2 Florent Delhommel . . . . 53380 1 3 Christopher Dodt . . . . 53380 1 4 Abraham Lopez . . . . 53380 1 5 Ofrah Faust . . . . 53380 1 6 Annika Elimelech . . . . 53380 1 7 Valeria Napolitano . . . . 53380 1 8 Grzegorz Popowicz . M. . . 53380 1 9 Rina Rosenzweig . . . . 53380 1 10 Michael Sattler . . . . 53380 1 11 Johannes Buchner . . . . 53380 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53380 _Assembly.ID 1 _Assembly.Name 'SGT1 CS-SGS' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SGT1 1 $entity_1 . . yes native no no . . . 53380 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53380 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KFKIDWYQSSTSVTISLFTV NLPESKEQVNIYISPNDRRT LSISYQVPKSGSEFQYNAKL SHEVDPKAVSLKIFPKKLEI TLSKIDSTQWKKLEEDILTE SSRLSDEGKNSDSATRLLSA ETASKERLSYPSSSKKKIDW SKLDIDEEADEEAGSADSFF QKLYAGADPDTKRAMMKSFI ESNGTALSTDWEDVSKGTVK TSPPEGMEPKHW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 184-395 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 212 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment CS-SGS _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q08446 . SGT1 . . . . . . . . . . . . . . 53380 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 1 184 LYS . 53380 1 2 185 PHE . 53380 1 3 186 LYS . 53380 1 4 187 ILE . 53380 1 5 188 ASP . 53380 1 6 189 TRP . 53380 1 7 190 TYR . 53380 1 8 191 GLN . 53380 1 9 192 SER . 53380 1 10 193 SER . 53380 1 11 194 THR . 53380 1 12 195 SER . 53380 1 13 196 VAL . 53380 1 14 197 THR . 53380 1 15 198 ILE . 53380 1 16 199 SER . 53380 1 17 200 LEU . 53380 1 18 201 PHE . 53380 1 19 202 THR . 53380 1 20 203 VAL . 53380 1 21 204 ASN . 53380 1 22 205 LEU . 53380 1 23 206 PRO . 53380 1 24 207 GLU . 53380 1 25 208 SER . 53380 1 26 209 LYS . 53380 1 27 210 GLU . 53380 1 28 211 GLN . 53380 1 29 212 VAL . 53380 1 30 213 ASN . 53380 1 31 214 ILE . 53380 1 32 215 TYR . 53380 1 33 216 ILE . 53380 1 34 217 SER . 53380 1 35 218 PRO . 53380 1 36 219 ASN . 53380 1 37 220 ASP . 53380 1 38 221 ARG . 53380 1 39 222 ARG . 53380 1 40 223 THR . 53380 1 41 224 LEU . 53380 1 42 225 SER . 53380 1 43 226 ILE . 53380 1 44 227 SER . 53380 1 45 228 TYR . 53380 1 46 229 GLN . 53380 1 47 230 VAL . 53380 1 48 231 PRO . 53380 1 49 232 LYS . 53380 1 50 233 SER . 53380 1 51 234 GLY . 53380 1 52 235 SER . 53380 1 53 236 GLU . 53380 1 54 237 PHE . 53380 1 55 238 GLN . 53380 1 56 239 TYR . 53380 1 57 240 ASN . 53380 1 58 241 ALA . 53380 1 59 242 LYS . 53380 1 60 243 LEU . 53380 1 61 244 SER . 53380 1 62 245 HIS . 53380 1 63 246 GLU . 53380 1 64 247 VAL . 53380 1 65 248 ASP . 53380 1 66 249 PRO . 53380 1 67 250 LYS . 53380 1 68 251 ALA . 53380 1 69 252 VAL . 53380 1 70 253 SER . 53380 1 71 254 LEU . 53380 1 72 255 LYS . 53380 1 73 256 ILE . 53380 1 74 257 PHE . 53380 1 75 258 PRO . 53380 1 76 259 LYS . 53380 1 77 260 LYS . 53380 1 78 261 LEU . 53380 1 79 262 GLU . 53380 1 80 263 ILE . 53380 1 81 264 THR . 53380 1 82 265 LEU . 53380 1 83 266 SER . 53380 1 84 267 LYS . 53380 1 85 268 ILE . 53380 1 86 269 ASP . 53380 1 87 270 SER . 53380 1 88 271 THR . 53380 1 89 272 GLN . 53380 1 90 273 TRP . 53380 1 91 274 LYS . 53380 1 92 275 LYS . 53380 1 93 276 LEU . 53380 1 94 277 GLU . 53380 1 95 278 GLU . 53380 1 96 279 ASP . 53380 1 97 280 ILE . 53380 1 98 281 LEU . 53380 1 99 282 THR . 53380 1 100 283 GLU . 53380 1 101 284 SER . 53380 1 102 285 SER . 53380 1 103 286 ARG . 53380 1 104 287 LEU . 53380 1 105 288 SER . 53380 1 106 289 ASP . 53380 1 107 290 GLU . 53380 1 108 291 GLY . 53380 1 109 292 LYS . 53380 1 110 293 ASN . 53380 1 111 294 SER . 53380 1 112 295 ASP . 53380 1 113 296 SER . 53380 1 114 297 ALA . 53380 1 115 298 THR . 53380 1 116 299 ARG . 53380 1 117 300 LEU . 53380 1 118 301 LEU . 53380 1 119 302 SER . 53380 1 120 303 ALA . 53380 1 121 304 GLU . 53380 1 122 305 THR . 53380 1 123 306 ALA . 53380 1 124 307 SER . 53380 1 125 308 LYS . 53380 1 126 309 GLU . 53380 1 127 310 ARG . 53380 1 128 311 LEU . 53380 1 129 312 SER . 53380 1 130 313 TYR . 53380 1 131 314 PRO . 53380 1 132 315 SER . 53380 1 133 316 SER . 53380 1 134 317 SER . 53380 1 135 318 LYS . 53380 1 136 319 LYS . 53380 1 137 320 LYS . 53380 1 138 321 ILE . 53380 1 139 322 ASP . 53380 1 140 323 TRP . 53380 1 141 324 SER . 53380 1 142 325 LYS . 53380 1 143 326 LEU . 53380 1 144 327 ASP . 53380 1 145 328 ILE . 53380 1 146 329 ASP . 53380 1 147 330 GLU . 53380 1 148 331 GLU . 53380 1 149 332 ALA . 53380 1 150 333 ASP . 53380 1 151 334 GLU . 53380 1 152 335 GLU . 53380 1 153 336 ALA . 53380 1 154 337 GLY . 53380 1 155 338 SER . 53380 1 156 339 ALA . 53380 1 157 340 ASP . 53380 1 158 341 SER . 53380 1 159 342 PHE . 53380 1 160 343 PHE . 53380 1 161 344 GLN . 53380 1 162 345 LYS . 53380 1 163 346 LEU . 53380 1 164 347 TYR . 53380 1 165 348 ALA . 53380 1 166 349 GLY . 53380 1 167 350 ALA . 53380 1 168 351 ASP . 53380 1 169 352 PRO . 53380 1 170 353 ASP . 53380 1 171 354 THR . 53380 1 172 355 LYS . 53380 1 173 356 ARG . 53380 1 174 357 ALA . 53380 1 175 358 MET . 53380 1 176 359 MET . 53380 1 177 360 LYS . 53380 1 178 361 SER . 53380 1 179 362 PHE . 53380 1 180 363 ILE . 53380 1 181 364 GLU . 53380 1 182 365 SER . 53380 1 183 366 ASN . 53380 1 184 367 GLY . 53380 1 185 368 THR . 53380 1 186 369 ALA . 53380 1 187 370 LEU . 53380 1 188 371 SER . 53380 1 189 372 THR . 53380 1 190 373 ASP . 53380 1 191 374 TRP . 53380 1 192 375 GLU . 53380 1 193 376 ASP . 53380 1 194 377 VAL . 53380 1 195 378 SER . 53380 1 196 379 LYS . 53380 1 197 380 GLY . 53380 1 198 381 THR . 53380 1 199 382 VAL . 53380 1 200 383 LYS . 53380 1 201 384 THR . 53380 1 202 385 SER . 53380 1 203 386 PRO . 53380 1 204 387 PRO . 53380 1 205 388 GLU . 53380 1 206 389 GLY . 53380 1 207 390 MET . 53380 1 208 391 GLU . 53380 1 209 392 PRO . 53380 1 210 393 LYS . 53380 1 211 394 HIS . 53380 1 212 395 TRP . 53380 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 . LYS 1 1 53380 1 . PHE 2 2 53380 1 . LYS 3 3 53380 1 . ILE 4 4 53380 1 . ASP 5 5 53380 1 . TRP 6 6 53380 1 . TYR 7 7 53380 1 . GLN 8 8 53380 1 . SER 9 9 53380 1 . SER 10 10 53380 1 . THR 11 11 53380 1 . SER 12 12 53380 1 . VAL 13 13 53380 1 . THR 14 14 53380 1 . ILE 15 15 53380 1 . SER 16 16 53380 1 . LEU 17 17 53380 1 . PHE 18 18 53380 1 . THR 19 19 53380 1 . VAL 20 20 53380 1 . ASN 21 21 53380 1 . LEU 22 22 53380 1 . PRO 23 23 53380 1 . GLU 24 24 53380 1 . SER 25 25 53380 1 . LYS 26 26 53380 1 . GLU 27 27 53380 1 . GLN 28 28 53380 1 . VAL 29 29 53380 1 . ASN 30 30 53380 1 . ILE 31 31 53380 1 . TYR 32 32 53380 1 . ILE 33 33 53380 1 . SER 34 34 53380 1 . PRO 35 35 53380 1 . ASN 36 36 53380 1 . ASP 37 37 53380 1 . ARG 38 38 53380 1 . ARG 39 39 53380 1 . THR 40 40 53380 1 . LEU 41 41 53380 1 . SER 42 42 53380 1 . ILE 43 43 53380 1 . SER 44 44 53380 1 . TYR 45 45 53380 1 . GLN 46 46 53380 1 . VAL 47 47 53380 1 . PRO 48 48 53380 1 . LYS 49 49 53380 1 . SER 50 50 53380 1 . GLY 51 51 53380 1 . SER 52 52 53380 1 . GLU 53 53 53380 1 . PHE 54 54 53380 1 . GLN 55 55 53380 1 . TYR 56 56 53380 1 . ASN 57 57 53380 1 . ALA 58 58 53380 1 . LYS 59 59 53380 1 . LEU 60 60 53380 1 . SER 61 61 53380 1 . HIS 62 62 53380 1 . GLU 63 63 53380 1 . VAL 64 64 53380 1 . ASP 65 65 53380 1 . PRO 66 66 53380 1 . LYS 67 67 53380 1 . ALA 68 68 53380 1 . VAL 69 69 53380 1 . SER 70 70 53380 1 . LEU 71 71 53380 1 . LYS 72 72 53380 1 . ILE 73 73 53380 1 . PHE 74 74 53380 1 . PRO 75 75 53380 1 . LYS 76 76 53380 1 . LYS 77 77 53380 1 . LEU 78 78 53380 1 . GLU 79 79 53380 1 . ILE 80 80 53380 1 . THR 81 81 53380 1 . LEU 82 82 53380 1 . SER 83 83 53380 1 . LYS 84 84 53380 1 . ILE 85 85 53380 1 . ASP 86 86 53380 1 . SER 87 87 53380 1 . THR 88 88 53380 1 . GLN 89 89 53380 1 . TRP 90 90 53380 1 . LYS 91 91 53380 1 . LYS 92 92 53380 1 . LEU 93 93 53380 1 . GLU 94 94 53380 1 . GLU 95 95 53380 1 . ASP 96 96 53380 1 . ILE 97 97 53380 1 . LEU 98 98 53380 1 . THR 99 99 53380 1 . GLU 100 100 53380 1 . SER 101 101 53380 1 . SER 102 102 53380 1 . ARG 103 103 53380 1 . LEU 104 104 53380 1 . SER 105 105 53380 1 . ASP 106 106 53380 1 . GLU 107 107 53380 1 . GLY 108 108 53380 1 . LYS 109 109 53380 1 . ASN 110 110 53380 1 . SER 111 111 53380 1 . ASP 112 112 53380 1 . SER 113 113 53380 1 . ALA 114 114 53380 1 . THR 115 115 53380 1 . ARG 116 116 53380 1 . LEU 117 117 53380 1 . LEU 118 118 53380 1 . SER 119 119 53380 1 . ALA 120 120 53380 1 . GLU 121 121 53380 1 . THR 122 122 53380 1 . ALA 123 123 53380 1 . SER 124 124 53380 1 . LYS 125 125 53380 1 . GLU 126 126 53380 1 . ARG 127 127 53380 1 . LEU 128 128 53380 1 . SER 129 129 53380 1 . TYR 130 130 53380 1 . PRO 131 131 53380 1 . SER 132 132 53380 1 . SER 133 133 53380 1 . SER 134 134 53380 1 . LYS 135 135 53380 1 . LYS 136 136 53380 1 . LYS 137 137 53380 1 . ILE 138 138 53380 1 . ASP 139 139 53380 1 . TRP 140 140 53380 1 . SER 141 141 53380 1 . LYS 142 142 53380 1 . LEU 143 143 53380 1 . ASP 144 144 53380 1 . ILE 145 145 53380 1 . ASP 146 146 53380 1 . GLU 147 147 53380 1 . GLU 148 148 53380 1 . ALA 149 149 53380 1 . ASP 150 150 53380 1 . GLU 151 151 53380 1 . GLU 152 152 53380 1 . ALA 153 153 53380 1 . GLY 154 154 53380 1 . SER 155 155 53380 1 . ALA 156 156 53380 1 . ASP 157 157 53380 1 . SER 158 158 53380 1 . PHE 159 159 53380 1 . PHE 160 160 53380 1 . GLN 161 161 53380 1 . LYS 162 162 53380 1 . LEU 163 163 53380 1 . TYR 164 164 53380 1 . ALA 165 165 53380 1 . GLY 166 166 53380 1 . ALA 167 167 53380 1 . ASP 168 168 53380 1 . PRO 169 169 53380 1 . ASP 170 170 53380 1 . THR 171 171 53380 1 . LYS 172 172 53380 1 . ARG 173 173 53380 1 . ALA 174 174 53380 1 . MET 175 175 53380 1 . MET 176 176 53380 1 . LYS 177 177 53380 1 . SER 178 178 53380 1 . PHE 179 179 53380 1 . ILE 180 180 53380 1 . GLU 181 181 53380 1 . SER 182 182 53380 1 . ASN 183 183 53380 1 . GLY 184 184 53380 1 . THR 185 185 53380 1 . ALA 186 186 53380 1 . LEU 187 187 53380 1 . SER 188 188 53380 1 . THR 189 189 53380 1 . ASP 190 190 53380 1 . TRP 191 191 53380 1 . GLU 192 192 53380 1 . ASP 193 193 53380 1 . VAL 194 194 53380 1 . SER 195 195 53380 1 . LYS 196 196 53380 1 . GLY 197 197 53380 1 . THR 198 198 53380 1 . VAL 199 199 53380 1 . LYS 200 200 53380 1 . THR 201 201 53380 1 . SER 202 202 53380 1 . PRO 203 203 53380 1 . PRO 204 204 53380 1 . GLU 205 205 53380 1 . GLY 206 206 53380 1 . MET 207 207 53380 1 . GLU 208 208 53380 1 . PRO 209 209 53380 1 . LYS 210 210 53380 1 . HIS 211 211 53380 1 . TRP 212 212 53380 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53380 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 53380 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53380 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-SUMO . . . 53380 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53380 _Sample.ID 1 _Sample.Name 'SGT1 CS-SGS U15N-U13C' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SGT1 CS-SGS' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 550 400 700 uM . . . . 53380 1 2 Phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 53380 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53380 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 53380 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53380 _Sample_condition_list.ID 1 _Sample_condition_list.Name '50mM Phosphate, 100mM NaCl, 5mM DTT' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 53380 1 pH 6.5 . pH 53380 1 pressure 1 . atm 53380 1 temperature 298 . K 53380 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53380 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53380 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53380 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53380 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53380 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53380 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53380 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53380 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53380 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53380 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53380 1 4 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53380 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53380 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53380 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'SGT1 CS-SGS' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 53380 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53380 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 53380 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53380 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SGT1 CS-SGS backbone resonance assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53380 1 2 '3D CBCA(CO)NH' . . . 53380 1 3 '3D HNCACB' . . . 53380 1 4 '3D HNCACO' . . . 53380 1 5 '3D HNCO' . . . 53380 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53380 1 2 $software_2 . . 53380 1 3 $software_3 . . 53380 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LYS C C 13 175.986 0.000 . 1 . . . . . 184 LYS C . 53380 1 2 . 1 . 1 1 1 LYS CA C 13 56.473 0.000 . 1 . . . . . 184 LYS CA . 53380 1 3 . 1 . 1 1 1 LYS CB C 13 33.319 0.000 . 1 . . . . . 184 LYS CB . 53380 1 4 . 1 . 1 2 2 PHE H H 1 8.015 0.003 . 1 . . . . . 185 PHE H . 53380 1 5 . 1 . 1 2 2 PHE C C 13 173.406 0.000 . 1 . . . . . 185 PHE C . 53380 1 6 . 1 . 1 2 2 PHE CA C 13 56.384 0.034 . 1 . . . . . 185 PHE CA . 53380 1 7 . 1 . 1 2 2 PHE CB C 13 41.502 0.046 . 1 . . . . . 185 PHE CB . 53380 1 8 . 1 . 1 2 2 PHE N N 15 118.973 0.031 . 1 . . . . . 185 PHE N . 53380 1 9 . 1 . 1 3 3 LYS H H 1 8.609 0.005 . 1 . . . . . 186 LYS H . 53380 1 10 . 1 . 1 3 3 LYS C C 13 174.407 0.000 . 1 . . . . . 186 LYS C . 53380 1 11 . 1 . 1 3 3 LYS CA C 13 55.631 0.000 . 1 . . . . . 186 LYS CA . 53380 1 12 . 1 . 1 3 3 LYS CB C 13 36.041 0.047 . 1 . . . . . 186 LYS CB . 53380 1 13 . 1 . 1 3 3 LYS N N 15 121.088 0.029 . 1 . . . . . 186 LYS N . 53380 1 14 . 1 . 1 4 4 ILE H H 1 8.622 0.004 . 1 . . . . . 187 ILE H . 53380 1 15 . 1 . 1 4 4 ILE C C 13 175.865 0.000 . 1 . . . . . 187 ILE C . 53380 1 16 . 1 . 1 4 4 ILE CA C 13 59.392 0.010 . 1 . . . . . 187 ILE CA . 53380 1 17 . 1 . 1 4 4 ILE CB C 13 40.849 0.051 . 1 . . . . . 187 ILE CB . 53380 1 18 . 1 . 1 4 4 ILE N N 15 123.755 0.024 . 1 . . . . . 187 ILE N . 53380 1 19 . 1 . 1 5 5 ASP H H 1 9.222 0.004 . 1 . . . . . 188 ASP H . 53380 1 20 . 1 . 1 5 5 ASP C C 13 174.142 0.000 . 1 . . . . . 188 ASP C . 53380 1 21 . 1 . 1 5 5 ASP CA C 13 52.912 0.007 . 1 . . . . . 188 ASP CA . 53380 1 22 . 1 . 1 5 5 ASP CB C 13 45.566 0.051 . 1 . . . . . 188 ASP CB . 53380 1 23 . 1 . 1 5 5 ASP N N 15 127.036 0.017 . 1 . . . . . 188 ASP N . 53380 1 24 . 1 . 1 6 6 TRP H H 1 8.766 0.002 . 1 . . . . . 189 TRP H . 53380 1 25 . 1 . 1 6 6 TRP C C 13 173.579 0.000 . 1 . . . . . 189 TRP C . 53380 1 26 . 1 . 1 6 6 TRP CA C 13 55.886 0.008 . 1 . . . . . 189 TRP CA . 53380 1 27 . 1 . 1 6 6 TRP CB C 13 31.580 0.015 . 1 . . . . . 189 TRP CB . 53380 1 28 . 1 . 1 6 6 TRP N N 15 117.425 0.015 . 1 . . . . . 189 TRP N . 53380 1 29 . 1 . 1 7 7 TYR H H 1 8.840 0.002 . 1 . . . . . 190 TYR H . 53380 1 30 . 1 . 1 7 7 TYR C C 13 172.529 0.000 . 1 . . . . . 190 TYR C . 53380 1 31 . 1 . 1 7 7 TYR CA C 13 56.211 0.026 . 1 . . . . . 190 TYR CA . 53380 1 32 . 1 . 1 7 7 TYR CB C 13 39.334 0.059 . 1 . . . . . 190 TYR CB . 53380 1 33 . 1 . 1 7 7 TYR N N 15 116.383 0.048 . 1 . . . . . 190 TYR N . 53380 1 34 . 1 . 1 8 8 GLN H H 1 8.672 0.003 . 1 . . . . . 191 GLN H . 53380 1 35 . 1 . 1 8 8 GLN C C 13 173.228 0.000 . 1 . . . . . 191 GLN C . 53380 1 36 . 1 . 1 8 8 GLN CA C 13 53.883 0.044 . 1 . . . . . 191 GLN CA . 53380 1 37 . 1 . 1 8 8 GLN CB C 13 33.806 0.044 . 1 . . . . . 191 GLN CB . 53380 1 38 . 1 . 1 8 8 GLN N N 15 115.334 0.021 . 1 . . . . . 191 GLN N . 53380 1 39 . 1 . 1 9 9 SER H H 1 8.954 0.004 . 1 . . . . . 192 SER H . 53380 1 40 . 1 . 1 9 9 SER CA C 13 56.570 0.000 . 1 . . . . . 192 SER CA . 53380 1 41 . 1 . 1 9 9 SER CB C 13 66.795 0.000 . 1 . . . . . 192 SER CB . 53380 1 42 . 1 . 1 9 9 SER N N 15 117.579 0.022 . 1 . . . . . 192 SER N . 53380 1 43 . 1 . 1 10 10 SER C C 13 174.048 0.000 . 1 . . . . . 193 SER C . 53380 1 44 . 1 . 1 10 10 SER CA C 13 57.534 0.000 . 1 . . . . . 193 SER CA . 53380 1 45 . 1 . 1 10 10 SER CB C 13 62.389 0.000 . 1 . . . . . 193 SER CB . 53380 1 46 . 1 . 1 11 11 THR H H 1 7.634 0.001 . 1 . . . . . 194 THR H . 53380 1 47 . 1 . 1 11 11 THR C C 13 173.803 0.000 . 1 . . . . . 194 THR C . 53380 1 48 . 1 . 1 11 11 THR CA C 13 61.472 0.061 . 1 . . . . . 194 THR CA . 53380 1 49 . 1 . 1 11 11 THR CB C 13 70.539 0.000 . 1 . . . . . 194 THR CB . 53380 1 50 . 1 . 1 11 11 THR N N 15 119.625 0.009 . 1 . . . . . 194 THR N . 53380 1 51 . 1 . 1 12 12 SER H H 1 7.652 0.002 . 1 . . . . . 195 SER H . 53380 1 52 . 1 . 1 12 12 SER C C 13 171.680 0.000 . 1 . . . . . 195 SER C . 53380 1 53 . 1 . 1 12 12 SER CA C 13 57.592 0.043 . 1 . . . . . 195 SER CA . 53380 1 54 . 1 . 1 12 12 SER CB C 13 67.518 0.037 . 1 . . . . . 195 SER CB . 53380 1 55 . 1 . 1 12 12 SER N N 15 118.706 0.007 . 1 . . . . . 195 SER N . 53380 1 56 . 1 . 1 13 13 VAL H H 1 8.579 0.007 . 1 . . . . . 196 VAL H . 53380 1 57 . 1 . 1 13 13 VAL C C 13 173.455 0.000 . 1 . . . . . 196 VAL C . 53380 1 58 . 1 . 1 13 13 VAL CA C 13 61.727 0.067 . 1 . . . . . 196 VAL CA . 53380 1 59 . 1 . 1 13 13 VAL CB C 13 35.872 0.060 . 1 . . . . . 196 VAL CB . 53380 1 60 . 1 . 1 13 13 VAL N N 15 120.984 0.020 . 1 . . . . . 196 VAL N . 53380 1 61 . 1 . 1 14 14 THR H H 1 8.867 0.004 . 1 . . . . . 197 THR H . 53380 1 62 . 1 . 1 14 14 THR C C 13 173.932 0.000 . 1 . . . . . 197 THR C . 53380 1 63 . 1 . 1 14 14 THR CA C 13 61.621 0.017 . 1 . . . . . 197 THR CA . 53380 1 64 . 1 . 1 14 14 THR CB C 13 70.490 0.044 . 1 . . . . . 197 THR CB . 53380 1 65 . 1 . 1 14 14 THR N N 15 123.810 0.022 . 1 . . . . . 197 THR N . 53380 1 66 . 1 . 1 15 15 ILE H H 1 9.300 0.004 . 1 . . . . . 198 ILE H . 53380 1 67 . 1 . 1 15 15 ILE C C 13 174.647 0.000 . 1 . . . . . 198 ILE C . 53380 1 68 . 1 . 1 15 15 ILE CA C 13 61.229 0.000 . 1 . . . . . 198 ILE CA . 53380 1 69 . 1 . 1 15 15 ILE CB C 13 41.171 0.025 . 1 . . . . . 198 ILE CB . 53380 1 70 . 1 . 1 15 15 ILE N N 15 127.011 0.021 . 1 . . . . . 198 ILE N . 53380 1 71 . 1 . 1 16 16 SER H H 1 9.267 0.002 . 1 . . . . . 199 SER H . 53380 1 72 . 1 . 1 16 16 SER C C 13 171.650 0.000 . 1 . . . . . 199 SER C . 53380 1 73 . 1 . 1 16 16 SER CA C 13 57.225 0.031 . 1 . . . . . 199 SER CA . 53380 1 74 . 1 . 1 16 16 SER CB C 13 64.628 0.032 . 1 . . . . . 199 SER CB . 53380 1 75 . 1 . 1 16 16 SER N N 15 123.819 0.007 . 1 . . . . . 199 SER N . 53380 1 76 . 1 . 1 17 17 LEU H H 1 8.827 0.002 . 1 . . . . . 200 LEU H . 53380 1 77 . 1 . 1 17 17 LEU C C 13 174.968 0.000 . 1 . . . . . 200 LEU C . 53380 1 78 . 1 . 1 17 17 LEU CA C 13 53.476 0.015 . 1 . . . . . 200 LEU CA . 53380 1 79 . 1 . 1 17 17 LEU CB C 13 43.583 0.009 . 1 . . . . . 200 LEU CB . 53380 1 80 . 1 . 1 17 17 LEU N N 15 125.341 0.022 . 1 . . . . . 200 LEU N . 53380 1 81 . 1 . 1 18 18 PHE H H 1 9.133 0.004 . 1 . . . . . 201 PHE H . 53380 1 82 . 1 . 1 18 18 PHE C C 13 175.669 0.000 . 1 . . . . . 201 PHE C . 53380 1 83 . 1 . 1 18 18 PHE CA C 13 57.483 0.023 . 1 . . . . . 201 PHE CA . 53380 1 84 . 1 . 1 18 18 PHE CB C 13 39.456 0.000 . 1 . . . . . 201 PHE CB . 53380 1 85 . 1 . 1 18 18 PHE N N 15 123.704 0.043 . 1 . . . . . 201 PHE N . 53380 1 86 . 1 . 1 19 19 THR H H 1 7.412 0.002 . 1 . . . . . 202 THR H . 53380 1 87 . 1 . 1 19 19 THR C C 13 171.715 0.000 . 1 . . . . . 202 THR C . 53380 1 88 . 1 . 1 19 19 THR CA C 13 60.014 0.044 . 1 . . . . . 202 THR CA . 53380 1 89 . 1 . 1 19 19 THR CB C 13 69.103 0.048 . 1 . . . . . 202 THR CB . 53380 1 90 . 1 . 1 19 19 THR N N 15 118.115 0.025 . 1 . . . . . 202 THR N . 53380 1 91 . 1 . 1 20 20 VAL H H 1 7.823 0.002 . 1 . . . . . 203 VAL H . 53380 1 92 . 1 . 1 20 20 VAL C C 13 176.584 0.000 . 1 . . . . . 203 VAL C . 53380 1 93 . 1 . 1 20 20 VAL CA C 13 63.184 0.024 . 1 . . . . . 203 VAL CA . 53380 1 94 . 1 . 1 20 20 VAL CB C 13 31.938 0.026 . 1 . . . . . 203 VAL CB . 53380 1 95 . 1 . 1 20 20 VAL N N 15 117.668 0.012 . 1 . . . . . 203 VAL N . 53380 1 96 . 1 . 1 21 21 ASN H H 1 8.269 0.004 . 1 . . . . . 204 ASN H . 53380 1 97 . 1 . 1 21 21 ASN C C 13 172.934 0.000 . 1 . . . . . 204 ASN C . 53380 1 98 . 1 . 1 21 21 ASN CA C 13 52.495 0.004 . 1 . . . . . 204 ASN CA . 53380 1 99 . 1 . 1 21 21 ASN CB C 13 39.387 0.002 . 1 . . . . . 204 ASN CB . 53380 1 100 . 1 . 1 21 21 ASN N N 15 121.356 0.035 . 1 . . . . . 204 ASN N . 53380 1 101 . 1 . 1 22 22 LEU H H 1 7.942 0.002 . 1 . . . . . 205 LEU H . 53380 1 102 . 1 . 1 22 22 LEU C C 13 173.840 0.000 . 1 . . . . . 205 LEU C . 53380 1 103 . 1 . 1 22 22 LEU CA C 13 52.713 0.000 . 1 . . . . . 205 LEU CA . 53380 1 104 . 1 . 1 22 22 LEU CB C 13 42.269 0.000 . 1 . . . . . 205 LEU CB . 53380 1 105 . 1 . 1 22 22 LEU N N 15 125.504 0.020 . 1 . . . . . 205 LEU N . 53380 1 106 . 1 . 1 23 23 PRO C C 13 175.596 0.000 . 1 . . . . . 206 PRO C . 53380 1 107 . 1 . 1 23 23 PRO CA C 13 61.752 0.000 . 1 . . . . . 206 PRO CA . 53380 1 108 . 1 . 1 23 23 PRO CB C 13 31.369 0.000 . 1 . . . . . 206 PRO CB . 53380 1 109 . 1 . 1 24 24 GLU H H 1 8.610 0.002 . 1 . . . . . 207 GLU H . 53380 1 110 . 1 . 1 24 24 GLU C C 13 176.552 0.000 . 1 . . . . . 207 GLU C . 53380 1 111 . 1 . 1 24 24 GLU CA C 13 57.692 0.002 . 1 . . . . . 207 GLU CA . 53380 1 112 . 1 . 1 24 24 GLU CB C 13 31.077 0.000 . 1 . . . . . 207 GLU CB . 53380 1 113 . 1 . 1 24 24 GLU N N 15 117.847 0.024 . 1 . . . . . 207 GLU N . 53380 1 114 . 1 . 1 25 25 SER H H 1 7.229 0.001 . 1 . . . . . 208 SER H . 53380 1 115 . 1 . 1 25 25 SER C C 13 174.787 0.000 . 1 . . . . . 208 SER C . 53380 1 116 . 1 . 1 25 25 SER CA C 13 56.441 0.012 . 1 . . . . . 208 SER CA . 53380 1 117 . 1 . 1 25 25 SER CB C 13 65.561 0.031 . 1 . . . . . 208 SER CB . 53380 1 118 . 1 . 1 25 25 SER N N 15 108.919 0.010 . 1 . . . . . 208 SER N . 53380 1 119 . 1 . 1 26 26 LYS H H 1 8.929 0.008 . 1 . . . . . 209 LYS H . 53380 1 120 . 1 . 1 26 26 LYS C C 13 177.792 0.000 . 1 . . . . . 209 LYS C . 53380 1 121 . 1 . 1 26 26 LYS CA C 13 59.363 0.000 . 1 . . . . . 209 LYS CA . 53380 1 122 . 1 . 1 26 26 LYS CB C 13 32.030 0.001 . 1 . . . . . 209 LYS CB . 53380 1 123 . 1 . 1 26 26 LYS N N 15 122.274 0.030 . 1 . . . . . 209 LYS N . 53380 1 124 . 1 . 1 27 27 GLU H H 1 8.656 0.001 . 1 . . . . . 210 GLU H . 53380 1 125 . 1 . 1 27 27 GLU C C 13 177.135 0.000 . 1 . . . . . 210 GLU C . 53380 1 126 . 1 . 1 27 27 GLU CA C 13 59.060 0.000 . 1 . . . . . 210 GLU CA . 53380 1 127 . 1 . 1 27 27 GLU CB C 13 28.569 0.049 . 1 . . . . . 210 GLU CB . 53380 1 128 . 1 . 1 27 27 GLU N N 15 118.312 0.023 . 1 . . . . . 210 GLU N . 53380 1 129 . 1 . 1 28 28 GLN H H 1 7.196 0.001 . 1 . . . . . 211 GLN H . 53380 1 130 . 1 . 1 28 28 GLN C C 13 175.284 0.000 . 1 . . . . . 211 GLN C . 53380 1 131 . 1 . 1 28 28 GLN CA C 13 56.079 0.035 . 1 . . . . . 211 GLN CA . 53380 1 132 . 1 . 1 28 28 GLN CB C 13 29.466 0.011 . 1 . . . . . 211 GLN CB . 53380 1 133 . 1 . 1 28 28 GLN N N 15 115.682 0.019 . 1 . . . . . 211 GLN N . 53380 1 134 . 1 . 1 29 29 VAL H H 1 7.356 0.001 . 1 . . . . . 212 VAL H . 53380 1 135 . 1 . 1 29 29 VAL C C 13 174.268 0.000 . 1 . . . . . 212 VAL C . 53380 1 136 . 1 . 1 29 29 VAL CA C 13 62.506 0.029 . 1 . . . . . 212 VAL CA . 53380 1 137 . 1 . 1 29 29 VAL CB C 13 32.119 0.037 . 1 . . . . . 212 VAL CB . 53380 1 138 . 1 . 1 29 29 VAL N N 15 118.727 0.008 . 1 . . . . . 212 VAL N . 53380 1 139 . 1 . 1 30 30 ASN H H 1 9.234 0.002 . 1 . . . . . 213 ASN H . 53380 1 140 . 1 . 1 30 30 ASN C C 13 174.150 0.000 . 1 . . . . . 213 ASN C . 53380 1 141 . 1 . 1 30 30 ASN CA C 13 52.914 0.000 . 1 . . . . . 213 ASN CA . 53380 1 142 . 1 . 1 30 30 ASN CB C 13 39.897 0.023 . 1 . . . . . 213 ASN CB . 53380 1 143 . 1 . 1 30 30 ASN N N 15 127.079 0.021 . 1 . . . . . 213 ASN N . 53380 1 144 . 1 . 1 31 31 ILE H H 1 8.674 0.004 . 1 . . . . . 214 ILE H . 53380 1 145 . 1 . 1 31 31 ILE C C 13 174.030 0.000 . 1 . . . . . 214 ILE C . 53380 1 146 . 1 . 1 31 31 ILE CA C 13 60.165 0.059 . 1 . . . . . 214 ILE CA . 53380 1 147 . 1 . 1 31 31 ILE CB C 13 39.828 0.000 . 1 . . . . . 214 ILE CB . 53380 1 148 . 1 . 1 31 31 ILE N N 15 125.859 0.016 . 1 . . . . . 214 ILE N . 53380 1 149 . 1 . 1 32 32 TYR H H 1 9.047 0.003 . 1 . . . . . 215 TYR H . 53380 1 150 . 1 . 1 32 32 TYR C C 13 173.215 0.000 . 1 . . . . . 215 TYR C . 53380 1 151 . 1 . 1 32 32 TYR CA C 13 57.289 0.000 . 1 . . . . . 215 TYR CA . 53380 1 152 . 1 . 1 32 32 TYR CB C 13 41.279 0.028 . 1 . . . . . 215 TYR CB . 53380 1 153 . 1 . 1 32 32 TYR N N 15 128.875 0.022 . 1 . . . . . 215 TYR N . 53380 1 154 . 1 . 1 33 33 ILE H H 1 7.541 0.002 . 1 . . . . . 216 ILE H . 53380 1 155 . 1 . 1 33 33 ILE C C 13 174.950 0.000 . 1 . . . . . 216 ILE C . 53380 1 156 . 1 . 1 33 33 ILE CA C 13 58.713 0.000 . 1 . . . . . 216 ILE CA . 53380 1 157 . 1 . 1 33 33 ILE CB C 13 39.897 0.000 . 1 . . . . . 216 ILE CB . 53380 1 158 . 1 . 1 33 33 ILE N N 15 126.755 0.013 . 1 . . . . . 216 ILE N . 53380 1 159 . 1 . 1 35 35 PRO C C 13 176.847 0.000 . 1 . . . . . 218 PRO C . 53380 1 160 . 1 . 1 35 35 PRO CA C 13 63.443 0.000 . 1 . . . . . 218 PRO CA . 53380 1 161 . 1 . 1 35 35 PRO CB C 13 31.869 0.000 . 1 . . . . . 218 PRO CB . 53380 1 162 . 1 . 1 36 36 ASN H H 1 7.920 0.001 . 1 . . . . . 219 ASN H . 53380 1 163 . 1 . 1 36 36 ASN C C 13 175.290 0.000 . 1 . . . . . 219 ASN C . 53380 1 164 . 1 . 1 36 36 ASN CA C 13 55.238 0.000 . 1 . . . . . 219 ASN CA . 53380 1 165 . 1 . 1 36 36 ASN CB C 13 38.798 0.000 . 1 . . . . . 219 ASN CB . 53380 1 166 . 1 . 1 36 36 ASN N N 15 115.577 0.012 . 1 . . . . . 219 ASN N . 53380 1 167 . 1 . 1 40 40 THR C C 13 172.476 0.000 . 1 . . . . . 223 THR C . 53380 1 168 . 1 . 1 40 40 THR CA C 13 66.048 0.000 . 1 . . . . . 223 THR CA . 53380 1 169 . 1 . 1 40 40 THR CB C 13 67.655 0.000 . 1 . . . . . 223 THR CB . 53380 1 170 . 1 . 1 41 41 LEU H H 1 9.054 0.004 . 1 . . . . . 224 LEU H . 53380 1 171 . 1 . 1 41 41 LEU C C 13 175.258 0.000 . 1 . . . . . 224 LEU C . 53380 1 172 . 1 . 1 41 41 LEU CA C 13 53.647 0.062 . 1 . . . . . 224 LEU CA . 53380 1 173 . 1 . 1 41 41 LEU CB C 13 46.237 0.000 . 1 . . . . . 224 LEU CB . 53380 1 174 . 1 . 1 41 41 LEU N N 15 132.152 0.035 . 1 . . . . . 224 LEU N . 53380 1 175 . 1 . 1 42 42 SER H H 1 9.283 0.003 . 1 . . . . . 225 SER H . 53380 1 176 . 1 . 1 42 42 SER C C 13 173.563 0.000 . 1 . . . . . 225 SER C . 53380 1 177 . 1 . 1 42 42 SER CA C 13 57.251 0.000 . 1 . . . . . 225 SER CA . 53380 1 178 . 1 . 1 42 42 SER CB C 13 65.930 0.045 . 1 . . . . . 225 SER CB . 53380 1 179 . 1 . 1 42 42 SER N N 15 120.844 0.014 . 1 . . . . . 225 SER N . 53380 1 180 . 1 . 1 43 43 ILE H H 1 9.097 0.004 . 1 . . . . . 226 ILE H . 53380 1 181 . 1 . 1 43 43 ILE C C 13 174.803 0.000 . 1 . . . . . 226 ILE C . 53380 1 182 . 1 . 1 43 43 ILE CA C 13 59.959 0.019 . 1 . . . . . 226 ILE CA . 53380 1 183 . 1 . 1 43 43 ILE CB C 13 41.864 0.000 . 1 . . . . . 226 ILE CB . 53380 1 184 . 1 . 1 43 43 ILE N N 15 126.010 0.040 . 1 . . . . . 226 ILE N . 53380 1 185 . 1 . 1 44 44 SER H H 1 9.027 0.003 . 1 . . . . . 227 SER H . 53380 1 186 . 1 . 1 44 44 SER C C 13 173.474 0.000 . 1 . . . . . 227 SER C . 53380 1 187 . 1 . 1 44 44 SER CA C 13 56.980 0.072 . 1 . . . . . 227 SER CA . 53380 1 188 . 1 . 1 44 44 SER CB C 13 66.785 0.059 . 1 . . . . . 227 SER CB . 53380 1 189 . 1 . 1 44 44 SER N N 15 119.532 0.016 . 1 . . . . . 227 SER N . 53380 1 190 . 1 . 1 45 45 TYR H H 1 8.259 0.002 . 1 . . . . . 228 TYR H . 53380 1 191 . 1 . 1 45 45 TYR C C 13 173.119 0.000 . 1 . . . . . 228 TYR C . 53380 1 192 . 1 . 1 45 45 TYR CA C 13 57.516 0.005 . 1 . . . . . 228 TYR CA . 53380 1 193 . 1 . 1 45 45 TYR CB C 13 40.333 0.011 . 1 . . . . . 228 TYR CB . 53380 1 194 . 1 . 1 45 45 TYR N N 15 114.274 0.020 . 1 . . . . . 228 TYR N . 53380 1 195 . 1 . 1 46 46 GLN H H 1 8.859 0.003 . 1 . . . . . 229 GLN H . 53380 1 196 . 1 . 1 46 46 GLN C C 13 175.458 0.000 . 1 . . . . . 229 GLN C . 53380 1 197 . 1 . 1 46 46 GLN CA C 13 55.145 0.035 . 1 . . . . . 229 GLN CA . 53380 1 198 . 1 . 1 46 46 GLN CB C 13 30.655 0.045 . 1 . . . . . 229 GLN CB . 53380 1 199 . 1 . 1 46 46 GLN N N 15 119.308 0.016 . 1 . . . . . 229 GLN N . 53380 1 200 . 1 . 1 47 47 VAL H H 1 8.539 0.003 . 1 . . . . . 230 VAL H . 53380 1 201 . 1 . 1 47 47 VAL C C 13 174.853 0.000 . 1 . . . . . 230 VAL C . 53380 1 202 . 1 . 1 47 47 VAL CA C 13 60.171 0.000 . 1 . . . . . 230 VAL CA . 53380 1 203 . 1 . 1 47 47 VAL CB C 13 32.152 0.000 . 1 . . . . . 230 VAL CB . 53380 1 204 . 1 . 1 47 47 VAL N N 15 124.402 0.008 . 1 . . . . . 230 VAL N . 53380 1 205 . 1 . 1 48 48 PRO C C 13 178.611 0.000 . 1 . . . . . 231 PRO C . 53380 1 206 . 1 . 1 48 48 PRO CA C 13 65.115 0.000 . 1 . . . . . 231 PRO CA . 53380 1 207 . 1 . 1 48 48 PRO CB C 13 32.244 0.000 . 1 . . . . . 231 PRO CB . 53380 1 208 . 1 . 1 49 49 LYS H H 1 8.658 0.001 . 1 . . . . . 232 LYS H . 53380 1 209 . 1 . 1 49 49 LYS C C 13 176.998 0.000 . 1 . . . . . 232 LYS C . 53380 1 210 . 1 . 1 49 49 LYS CA C 13 59.148 0.029 . 1 . . . . . 232 LYS CA . 53380 1 211 . 1 . 1 49 49 LYS CB C 13 31.713 0.000 . 1 . . . . . 232 LYS CB . 53380 1 212 . 1 . 1 49 49 LYS N N 15 116.086 0.012 . 1 . . . . . 232 LYS N . 53380 1 213 . 1 . 1 50 50 SER H H 1 7.615 0.003 . 1 . . . . . 233 SER H . 53380 1 214 . 1 . 1 50 50 SER C C 13 175.429 0.000 . 1 . . . . . 233 SER C . 53380 1 215 . 1 . 1 50 50 SER CA C 13 57.759 0.032 . 1 . . . . . 233 SER CA . 53380 1 216 . 1 . 1 50 50 SER CB C 13 65.039 0.029 . 1 . . . . . 233 SER CB . 53380 1 217 . 1 . 1 50 50 SER N N 15 111.118 0.010 . 1 . . . . . 233 SER N . 53380 1 218 . 1 . 1 51 51 GLY H H 1 8.244 0.006 . 1 . . . . . 234 GLY H . 53380 1 219 . 1 . 1 51 51 GLY C C 13 174.327 0.000 . 1 . . . . . 234 GLY C . 53380 1 220 . 1 . 1 51 51 GLY CA C 13 46.197 0.012 . 1 . . . . . 234 GLY CA . 53380 1 221 . 1 . 1 51 51 GLY N N 15 111.635 0.028 . 1 . . . . . 234 GLY N . 53380 1 222 . 1 . 1 52 52 SER H H 1 7.668 0.001 . 1 . . . . . 235 SER H . 53380 1 223 . 1 . 1 52 52 SER C C 13 172.656 0.000 . 1 . . . . . 235 SER C . 53380 1 224 . 1 . 1 52 52 SER CA C 13 57.881 0.013 . 1 . . . . . 235 SER CA . 53380 1 225 . 1 . 1 52 52 SER CB C 13 64.900 0.034 . 1 . . . . . 235 SER CB . 53380 1 226 . 1 . 1 52 52 SER N N 15 114.136 0.005 . 1 . . . . . 235 SER N . 53380 1 227 . 1 . 1 53 53 GLU H H 1 8.495 0.002 . 1 . . . . . 236 GLU H . 53380 1 228 . 1 . 1 53 53 GLU C C 13 174.731 0.000 . 1 . . . . . 236 GLU C . 53380 1 229 . 1 . 1 53 53 GLU CA C 13 55.546 0.030 . 1 . . . . . 236 GLU CA . 53380 1 230 . 1 . 1 53 53 GLU CB C 13 32.188 0.015 . 1 . . . . . 236 GLU CB . 53380 1 231 . 1 . 1 53 53 GLU N N 15 121.951 0.009 . 1 . . . . . 236 GLU N . 53380 1 232 . 1 . 1 54 54 PHE H H 1 8.720 0.003 . 1 . . . . . 237 PHE H . 53380 1 233 . 1 . 1 54 54 PHE C C 13 174.187 0.000 . 1 . . . . . 237 PHE C . 53380 1 234 . 1 . 1 54 54 PHE CA C 13 57.542 0.018 . 1 . . . . . 237 PHE CA . 53380 1 235 . 1 . 1 54 54 PHE CB C 13 40.778 0.062 . 1 . . . . . 237 PHE CB . 53380 1 236 . 1 . 1 54 54 PHE N N 15 126.091 0.021 . 1 . . . . . 237 PHE N . 53380 1 237 . 1 . 1 55 55 GLN H H 1 7.230 0.001 . 1 . . . . . 238 GLN H . 53380 1 238 . 1 . 1 55 55 GLN C C 13 173.209 0.000 . 1 . . . . . 238 GLN C . 53380 1 239 . 1 . 1 55 55 GLN CA C 13 54.944 0.052 . 1 . . . . . 238 GLN CA . 53380 1 240 . 1 . 1 55 55 GLN CB C 13 32.517 0.034 . 1 . . . . . 238 GLN CB . 53380 1 241 . 1 . 1 55 55 GLN N N 15 124.536 0.009 . 1 . . . . . 238 GLN N . 53380 1 242 . 1 . 1 56 56 TYR H H 1 8.725 0.003 . 1 . . . . . 239 TYR H . 53380 1 243 . 1 . 1 56 56 TYR C C 13 172.540 0.000 . 1 . . . . . 239 TYR C . 53380 1 244 . 1 . 1 56 56 TYR CA C 13 56.900 0.054 . 1 . . . . . 239 TYR CA . 53380 1 245 . 1 . 1 56 56 TYR CB C 13 41.936 0.028 . 1 . . . . . 239 TYR CB . 53380 1 246 . 1 . 1 56 56 TYR N N 15 125.107 0.015 . 1 . . . . . 239 TYR N . 53380 1 247 . 1 . 1 57 57 ASN H H 1 7.751 0.002 . 1 . . . . . 240 ASN H . 53380 1 248 . 1 . 1 57 57 ASN C C 13 172.592 0.000 . 1 . . . . . 240 ASN C . 53380 1 249 . 1 . 1 57 57 ASN CA C 13 51.845 0.055 . 1 . . . . . 240 ASN CA . 53380 1 250 . 1 . 1 57 57 ASN CB C 13 42.061 0.001 . 1 . . . . . 240 ASN CB . 53380 1 251 . 1 . 1 57 57 ASN N N 15 125.465 0.024 . 1 . . . . . 240 ASN N . 53380 1 252 . 1 . 1 58 58 ALA H H 1 8.725 0.002 . 1 . . . . . 241 ALA H . 53380 1 253 . 1 . 1 58 58 ALA C C 13 174.741 0.000 . 1 . . . . . 241 ALA C . 53380 1 254 . 1 . 1 58 58 ALA CA C 13 51.264 0.070 . 1 . . . . . 241 ALA CA . 53380 1 255 . 1 . 1 58 58 ALA CB C 13 23.285 0.045 . 1 . . . . . 241 ALA CB . 53380 1 256 . 1 . 1 58 58 ALA N N 15 123.346 0.009 . 1 . . . . . 241 ALA N . 53380 1 257 . 1 . 1 59 59 LYS H H 1 8.768 0.001 . 1 . . . . . 242 LYS H . 53380 1 258 . 1 . 1 59 59 LYS C C 13 175.107 0.000 . 1 . . . . . 242 LYS C . 53380 1 259 . 1 . 1 59 59 LYS CA C 13 55.092 0.053 . 1 . . . . . 242 LYS CA . 53380 1 260 . 1 . 1 59 59 LYS CB C 13 33.020 0.000 . 1 . . . . . 242 LYS CB . 53380 1 261 . 1 . 1 59 59 LYS N N 15 122.841 0.013 . 1 . . . . . 242 LYS N . 53380 1 262 . 1 . 1 60 60 LEU H H 1 8.693 0.002 . 1 . . . . . 243 LEU H . 53380 1 263 . 1 . 1 60 60 LEU C C 13 177.993 0.000 . 1 . . . . . 243 LEU C . 53380 1 264 . 1 . 1 60 60 LEU CA C 13 55.214 0.026 . 1 . . . . . 243 LEU CA . 53380 1 265 . 1 . 1 60 60 LEU CB C 13 42.525 0.006 . 1 . . . . . 243 LEU CB . 53380 1 266 . 1 . 1 60 60 LEU N N 15 125.120 0.035 . 1 . . . . . 243 LEU N . 53380 1 267 . 1 . 1 61 61 SER H H 1 8.110 0.002 . 1 . . . . . 244 SER H . 53380 1 268 . 1 . 1 61 61 SER C C 13 175.078 0.000 . 1 . . . . . 244 SER C . 53380 1 269 . 1 . 1 61 61 SER CA C 13 61.862 0.000 . 1 . . . . . 244 SER CA . 53380 1 270 . 1 . 1 61 61 SER CB C 13 62.987 0.042 . 1 . . . . . 244 SER CB . 53380 1 271 . 1 . 1 61 61 SER N N 15 114.431 0.038 . 1 . . . . . 244 SER N . 53380 1 272 . 1 . 1 62 62 HIS H H 1 7.693 0.002 . 1 . . . . . 245 HIS H . 53380 1 273 . 1 . 1 62 62 HIS C C 13 175.646 0.000 . 1 . . . . . 245 HIS C . 53380 1 274 . 1 . 1 62 62 HIS N N 15 104.207 0.019 . 1 . . . . . 245 HIS N . 53380 1 275 . 1 . 1 66 66 PRO C C 13 176.297 0.000 . 1 . . . . . 249 PRO C . 53380 1 276 . 1 . 1 66 66 PRO CA C 13 64.151 0.000 . 1 . . . . . 249 PRO CA . 53380 1 277 . 1 . 1 66 66 PRO CB C 13 32.205 0.000 . 1 . . . . . 249 PRO CB . 53380 1 278 . 1 . 1 67 67 LYS H H 1 8.178 0.001 . 1 . . . . . 250 LYS H . 53380 1 279 . 1 . 1 67 67 LYS C C 13 176.631 0.000 . 1 . . . . . 250 LYS C . 53380 1 280 . 1 . 1 67 67 LYS CA C 13 55.929 0.043 . 1 . . . . . 250 LYS CA . 53380 1 281 . 1 . 1 67 67 LYS CB C 13 33.043 0.029 . 1 . . . . . 250 LYS CB . 53380 1 282 . 1 . 1 67 67 LYS N N 15 114.337 0.017 . 1 . . . . . 250 LYS N . 53380 1 283 . 1 . 1 68 68 ALA H H 1 7.423 0.005 . 1 . . . . . 251 ALA H . 53380 1 284 . 1 . 1 68 68 ALA C C 13 175.248 0.000 . 1 . . . . . 251 ALA C . 53380 1 285 . 1 . 1 68 68 ALA CA C 13 51.236 0.016 . 1 . . . . . 251 ALA CA . 53380 1 286 . 1 . 1 68 68 ALA CB C 13 18.610 0.016 . 1 . . . . . 251 ALA CB . 53380 1 287 . 1 . 1 68 68 ALA N N 15 125.166 0.017 . 1 . . . . . 251 ALA N . 53380 1 288 . 1 . 1 69 69 VAL H H 1 7.924 0.002 . 1 . . . . . 252 VAL H . 53380 1 289 . 1 . 1 69 69 VAL C C 13 175.237 0.000 . 1 . . . . . 252 VAL C . 53380 1 290 . 1 . 1 69 69 VAL CA C 13 61.536 0.000 . 1 . . . . . 252 VAL CA . 53380 1 291 . 1 . 1 69 69 VAL CB C 13 34.367 0.000 . 1 . . . . . 252 VAL CB . 53380 1 292 . 1 . 1 69 69 VAL N N 15 123.693 0.028 . 1 . . . . . 252 VAL N . 53380 1 293 . 1 . 1 70 70 SER C C 13 172.180 0.000 . 1 . . . . . 253 SER C . 53380 1 294 . 1 . 1 70 70 SER CA C 13 56.832 0.000 . 1 . . . . . 253 SER CA . 53380 1 295 . 1 . 1 70 70 SER CB C 13 64.917 0.000 . 1 . . . . . 253 SER CB . 53380 1 296 . 1 . 1 71 71 LEU H H 1 8.533 0.002 . 1 . . . . . 254 LEU H . 53380 1 297 . 1 . 1 71 71 LEU C C 13 174.992 0.000 . 1 . . . . . 254 LEU C . 53380 1 298 . 1 . 1 71 71 LEU CA C 13 53.906 0.022 . 1 . . . . . 254 LEU CA . 53380 1 299 . 1 . 1 71 71 LEU CB C 13 45.717 0.002 . 1 . . . . . 254 LEU CB . 53380 1 300 . 1 . 1 71 71 LEU N N 15 126.256 0.017 . 1 . . . . . 254 LEU N . 53380 1 301 . 1 . 1 72 72 LYS H H 1 8.857 0.004 . 1 . . . . . 255 LYS H . 53380 1 302 . 1 . 1 72 72 LYS C C 13 173.952 0.000 . 1 . . . . . 255 LYS C . 53380 1 303 . 1 . 1 72 72 LYS CA C 13 55.681 0.024 . 1 . . . . . 255 LYS CA . 53380 1 304 . 1 . 1 72 72 LYS CB C 13 37.350 0.051 . 1 . . . . . 255 LYS CB . 53380 1 305 . 1 . 1 72 72 LYS N N 15 123.645 0.026 . 1 . . . . . 255 LYS N . 53380 1 306 . 1 . 1 73 73 ILE H H 1 8.355 0.003 . 1 . . . . . 256 ILE H . 53380 1 307 . 1 . 1 73 73 ILE C C 13 174.159 0.000 . 1 . . . . . 256 ILE C . 53380 1 308 . 1 . 1 73 73 ILE CA C 13 61.415 0.059 . 1 . . . . . 256 ILE CA . 53380 1 309 . 1 . 1 73 73 ILE CB C 13 38.755 0.080 . 1 . . . . . 256 ILE CB . 53380 1 310 . 1 . 1 73 73 ILE N N 15 123.242 0.024 . 1 . . . . . 256 ILE N . 53380 1 311 . 1 . 1 74 74 PHE H H 1 8.696 0.006 . 1 . . . . . 257 PHE H . 53380 1 312 . 1 . 1 74 74 PHE C C 13 174.277 0.000 . 1 . . . . . 257 PHE C . 53380 1 313 . 1 . 1 74 74 PHE CA C 13 56.239 0.000 . 1 . . . . . 257 PHE CA . 53380 1 314 . 1 . 1 74 74 PHE CB C 13 39.389 0.000 . 1 . . . . . 257 PHE CB . 53380 1 315 . 1 . 1 74 74 PHE N N 15 128.154 0.034 . 1 . . . . . 257 PHE N . 53380 1 316 . 1 . 1 75 75 PRO C C 13 177.506 0.000 . 1 . . . . . 258 PRO C . 53380 1 317 . 1 . 1 75 75 PRO CA C 13 65.905 0.000 . 1 . . . . . 258 PRO CA . 53380 1 318 . 1 . 1 75 75 PRO CB C 13 32.308 0.000 . 1 . . . . . 258 PRO CB . 53380 1 319 . 1 . 1 76 76 LYS H H 1 7.890 0.003 . 1 . . . . . 259 LYS H . 53380 1 320 . 1 . 1 76 76 LYS C C 13 175.534 0.000 . 1 . . . . . 259 LYS C . 53380 1 321 . 1 . 1 76 76 LYS CA C 13 55.076 0.030 . 1 . . . . . 259 LYS CA . 53380 1 322 . 1 . 1 76 76 LYS CB C 13 33.874 0.016 . 1 . . . . . 259 LYS CB . 53380 1 323 . 1 . 1 76 76 LYS N N 15 109.944 0.010 . 1 . . . . . 259 LYS N . 53380 1 324 . 1 . 1 77 77 LYS H H 1 7.106 0.001 . 1 . . . . . 260 LYS H . 53380 1 325 . 1 . 1 77 77 LYS C C 13 173.056 0.000 . 1 . . . . . 260 LYS C . 53380 1 326 . 1 . 1 77 77 LYS CA C 13 55.483 0.004 . 1 . . . . . 260 LYS CA . 53380 1 327 . 1 . 1 77 77 LYS CB C 13 34.492 0.046 . 1 . . . . . 260 LYS CB . 53380 1 328 . 1 . 1 77 77 LYS N N 15 112.765 0.007 . 1 . . . . . 260 LYS N . 53380 1 329 . 1 . 1 78 78 LEU H H 1 8.396 0.002 . 1 . . . . . 261 LEU H . 53380 1 330 . 1 . 1 78 78 LEU C C 13 175.158 0.000 . 1 . . . . . 261 LEU C . 53380 1 331 . 1 . 1 78 78 LEU CA C 13 53.536 0.024 . 1 . . . . . 261 LEU CA . 53380 1 332 . 1 . 1 78 78 LEU CB C 13 45.176 0.031 . 1 . . . . . 261 LEU CB . 53380 1 333 . 1 . 1 78 78 LEU N N 15 119.533 0.033 . 1 . . . . . 261 LEU N . 53380 1 334 . 1 . 1 79 79 GLU H H 1 9.033 0.002 . 1 . . . . . 262 GLU H . 53380 1 335 . 1 . 1 79 79 GLU C C 13 175.543 0.000 . 1 . . . . . 262 GLU C . 53380 1 336 . 1 . 1 79 79 GLU CA C 13 55.184 0.000 . 1 . . . . . 262 GLU CA . 53380 1 337 . 1 . 1 79 79 GLU CB C 13 34.113 0.040 . 1 . . . . . 262 GLU CB . 53380 1 338 . 1 . 1 79 79 GLU N N 15 122.400 0.023 . 1 . . . . . 262 GLU N . 53380 1 339 . 1 . 1 80 80 ILE H H 1 9.406 0.006 . 1 . . . . . 263 ILE H . 53380 1 340 . 1 . 1 80 80 ILE C C 13 174.341 0.000 . 1 . . . . . 263 ILE C . 53380 1 341 . 1 . 1 80 80 ILE CA C 13 59.923 0.066 . 1 . . . . . 263 ILE CA . 53380 1 342 . 1 . 1 80 80 ILE CB C 13 41.411 0.040 . 1 . . . . . 263 ILE CB . 53380 1 343 . 1 . 1 80 80 ILE N N 15 127.838 0.030 . 1 . . . . . 263 ILE N . 53380 1 344 . 1 . 1 81 81 THR H H 1 9.157 0.004 . 1 . . . . . 264 THR H . 53380 1 345 . 1 . 1 81 81 THR C C 13 173.249 0.000 . 1 . . . . . 264 THR C . 53380 1 346 . 1 . 1 81 81 THR CA C 13 62.798 0.000 . 1 . . . . . 264 THR CA . 53380 1 347 . 1 . 1 81 81 THR CB C 13 70.124 0.074 . 1 . . . . . 264 THR CB . 53380 1 348 . 1 . 1 81 81 THR N N 15 123.719 0.020 . 1 . . . . . 264 THR N . 53380 1 349 . 1 . 1 82 82 LEU H H 1 9.487 0.003 . 1 . . . . . 265 LEU H . 53380 1 350 . 1 . 1 82 82 LEU C C 13 176.079 0.000 . 1 . . . . . 265 LEU C . 53380 1 351 . 1 . 1 82 82 LEU CA C 13 52.783 0.030 . 1 . . . . . 265 LEU CA . 53380 1 352 . 1 . 1 82 82 LEU CB C 13 44.240 0.000 . 1 . . . . . 265 LEU CB . 53380 1 353 . 1 . 1 82 82 LEU N N 15 128.202 0.026 . 1 . . . . . 265 LEU N . 53380 1 354 . 1 . 1 83 83 SER H H 1 9.890 0.003 . 1 . . . . . 266 SER H . 53380 1 355 . 1 . 1 83 83 SER C C 13 175.026 0.000 . 1 . . . . . 266 SER C . 53380 1 356 . 1 . 1 83 83 SER CA C 13 57.251 0.038 . 1 . . . . . 266 SER CA . 53380 1 357 . 1 . 1 83 83 SER CB C 13 64.262 0.020 . 1 . . . . . 266 SER CB . 53380 1 358 . 1 . 1 83 83 SER N N 15 118.207 0.024 . 1 . . . . . 266 SER N . 53380 1 359 . 1 . 1 84 84 LYS H H 1 7.958 0.005 . 1 . . . . . 267 LYS H . 53380 1 360 . 1 . 1 84 84 LYS C C 13 177.707 0.000 . 1 . . . . . 267 LYS C . 53380 1 361 . 1 . 1 84 84 LYS CA C 13 57.935 0.039 . 1 . . . . . 267 LYS CA . 53380 1 362 . 1 . 1 84 84 LYS CB C 13 34.884 0.030 . 1 . . . . . 267 LYS CB . 53380 1 363 . 1 . 1 84 84 LYS N N 15 123.994 0.018 . 1 . . . . . 267 LYS N . 53380 1 364 . 1 . 1 85 85 ILE H H 1 7.733 0.003 . 1 . . . . . 268 ILE H . 53380 1 365 . 1 . 1 85 85 ILE C C 13 176.009 0.000 . 1 . . . . . 268 ILE C . 53380 1 366 . 1 . 1 85 85 ILE CA C 13 61.900 0.049 . 1 . . . . . 268 ILE CA . 53380 1 367 . 1 . 1 85 85 ILE CB C 13 35.796 0.063 . 1 . . . . . 268 ILE CB . 53380 1 368 . 1 . 1 85 85 ILE N N 15 121.190 0.022 . 1 . . . . . 268 ILE N . 53380 1 369 . 1 . 1 86 86 ASP H H 1 8.190 0.001 . 1 . . . . . 269 ASP H . 53380 1 370 . 1 . 1 86 86 ASP C C 13 176.246 0.000 . 1 . . . . . 269 ASP C . 53380 1 371 . 1 . 1 86 86 ASP CA C 13 52.659 0.050 . 1 . . . . . 269 ASP CA . 53380 1 372 . 1 . 1 86 86 ASP CB C 13 42.785 0.017 . 1 . . . . . 269 ASP CB . 53380 1 373 . 1 . 1 86 86 ASP N N 15 118.797 0.018 . 1 . . . . . 269 ASP N . 53380 1 374 . 1 . 1 87 87 SER H H 1 8.535 0.002 . 1 . . . . . 270 SER H . 53380 1 375 . 1 . 1 87 87 SER CB C 13 62.538 0.000 . 1 . . . . . 270 SER CB . 53380 1 376 . 1 . 1 87 87 SER N N 15 117.473 0.007 . 1 . . . . . 270 SER N . 53380 1 377 . 1 . 1 91 91 LYS C C 13 176.180 0.000 . 1 . . . . . 274 LYS C . 53380 1 378 . 1 . 1 91 91 LYS CA C 13 57.860 0.000 . 1 . . . . . 274 LYS CA . 53380 1 379 . 1 . 1 91 91 LYS CB C 13 33.585 0.000 . 1 . . . . . 274 LYS CB . 53380 1 380 . 1 . 1 92 92 LYS H H 1 7.908 0.002 . 1 . . . . . 275 LYS H . 53380 1 381 . 1 . 1 92 92 LYS C C 13 175.002 0.000 . 1 . . . . . 275 LYS C . 53380 1 382 . 1 . 1 92 92 LYS CA C 13 54.633 0.006 . 1 . . . . . 275 LYS CA . 53380 1 383 . 1 . 1 92 92 LYS CB C 13 36.148 0.008 . 1 . . . . . 275 LYS CB . 53380 1 384 . 1 . 1 92 92 LYS N N 15 116.408 0.014 . 1 . . . . . 275 LYS N . 53380 1 385 . 1 . 1 93 93 LEU H H 1 7.922 0.002 . 1 . . . . . 276 LEU H . 53380 1 386 . 1 . 1 93 93 LEU C C 13 176.042 0.000 . 1 . . . . . 276 LEU C . 53380 1 387 . 1 . 1 93 93 LEU CA C 13 57.748 0.038 . 1 . . . . . 276 LEU CA . 53380 1 388 . 1 . 1 93 93 LEU CB C 13 41.076 0.000 . 1 . . . . . 276 LEU CB . 53380 1 389 . 1 . 1 93 93 LEU N N 15 124.005 0.012 . 1 . . . . . 276 LEU N . 53380 1 390 . 1 . 1 94 94 GLU H H 1 7.512 0.004 . 1 . . . . . 277 GLU H . 53380 1 391 . 1 . 1 94 94 GLU C C 13 176.573 0.000 . 1 . . . . . 277 GLU C . 53380 1 392 . 1 . 1 94 94 GLU CA C 13 54.576 0.028 . 1 . . . . . 277 GLU CA . 53380 1 393 . 1 . 1 94 94 GLU CB C 13 33.461 0.006 . 1 . . . . . 277 GLU CB . 53380 1 394 . 1 . 1 94 94 GLU N N 15 112.615 0.017 . 1 . . . . . 277 GLU N . 53380 1 395 . 1 . 1 95 95 GLU H H 1 8.190 0.002 . 1 . . . . . 278 GLU H . 53380 1 396 . 1 . 1 95 95 GLU C C 13 175.520 0.000 . 1 . . . . . 278 GLU C . 53380 1 397 . 1 . 1 95 95 GLU CA C 13 56.155 0.003 . 1 . . . . . 278 GLU CA . 53380 1 398 . 1 . 1 95 95 GLU CB C 13 30.824 0.040 . 1 . . . . . 278 GLU CB . 53380 1 399 . 1 . 1 95 95 GLU N N 15 120.255 0.034 . 1 . . . . . 278 GLU N . 53380 1 400 . 1 . 1 96 96 ASP H H 1 8.308 0.002 . 1 . . . . . 279 ASP H . 53380 1 401 . 1 . 1 96 96 ASP C C 13 175.723 0.000 . 1 . . . . . 279 ASP C . 53380 1 402 . 1 . 1 96 96 ASP CA C 13 54.134 0.001 . 1 . . . . . 279 ASP CA . 53380 1 403 . 1 . 1 96 96 ASP CB C 13 41.550 0.044 . 1 . . . . . 279 ASP CB . 53380 1 404 . 1 . 1 96 96 ASP N N 15 124.461 0.012 . 1 . . . . . 279 ASP N . 53380 1 405 . 1 . 1 97 97 ILE H H 1 8.180 0.001 . 1 . . . . . 280 ILE H . 53380 1 406 . 1 . 1 97 97 ILE C C 13 176.136 0.000 . 1 . . . . . 280 ILE C . 53380 1 407 . 1 . 1 97 97 ILE CA C 13 61.336 0.003 . 1 . . . . . 280 ILE CA . 53380 1 408 . 1 . 1 97 97 ILE CB C 13 38.663 0.059 . 1 . . . . . 280 ILE CB . 53380 1 409 . 1 . 1 97 97 ILE N N 15 121.697 0.017 . 1 . . . . . 280 ILE N . 53380 1 410 . 1 . 1 98 98 LEU H H 1 8.292 0.001 . 1 . . . . . 281 LEU H . 53380 1 411 . 1 . 1 98 98 LEU C C 13 177.572 0.000 . 1 . . . . . 281 LEU C . 53380 1 412 . 1 . 1 98 98 LEU CA C 13 55.341 0.042 . 1 . . . . . 281 LEU CA . 53380 1 413 . 1 . 1 98 98 LEU CB C 13 42.147 0.015 . 1 . . . . . 281 LEU CB . 53380 1 414 . 1 . 1 98 98 LEU N N 15 125.908 0.010 . 1 . . . . . 281 LEU N . 53380 1 415 . 1 . 1 99 99 THR H H 1 8.016 0.001 . 1 . . . . . 282 THR H . 53380 1 416 . 1 . 1 99 99 THR C C 13 174.765 0.000 . 1 . . . . . 282 THR C . 53380 1 417 . 1 . 1 99 99 THR CA C 13 62.029 0.079 . 1 . . . . . 282 THR CA . 53380 1 418 . 1 . 1 99 99 THR CB C 13 69.855 0.004 . 1 . . . . . 282 THR CB . 53380 1 419 . 1 . 1 99 99 THR N N 15 115.021 0.013 . 1 . . . . . 282 THR N . 53380 1 420 . 1 . 1 100 100 GLU H H 1 8.382 0.001 . 1 . . . . . 283 GLU H . 53380 1 421 . 1 . 1 100 100 GLU C C 13 176.899 0.000 . 1 . . . . . 283 GLU C . 53380 1 422 . 1 . 1 100 100 GLU CA C 13 57.134 0.063 . 1 . . . . . 283 GLU CA . 53380 1 423 . 1 . 1 100 100 GLU CB C 13 30.230 0.028 . 1 . . . . . 283 GLU CB . 53380 1 424 . 1 . 1 100 100 GLU N N 15 123.112 0.004 . 1 . . . . . 283 GLU N . 53380 1 425 . 1 . 1 101 101 SER H H 1 8.281 0.001 . 1 . . . . . 284 SER H . 53380 1 426 . 1 . 1 101 101 SER C C 13 174.987 0.000 . 1 . . . . . 284 SER C . 53380 1 427 . 1 . 1 101 101 SER CA C 13 58.979 0.069 . 1 . . . . . 284 SER CA . 53380 1 428 . 1 . 1 101 101 SER CB C 13 63.713 0.020 . 1 . . . . . 284 SER CB . 53380 1 429 . 1 . 1 101 101 SER N N 15 116.357 0.007 . 1 . . . . . 284 SER N . 53380 1 430 . 1 . 1 102 102 SER H H 1 8.209 0.001 . 1 . . . . . 285 SER H . 53380 1 431 . 1 . 1 102 102 SER CA C 13 59.012 0.000 . 1 . . . . . 285 SER CA . 53380 1 432 . 1 . 1 102 102 SER CB C 13 63.715 0.000 . 1 . . . . . 285 SER CB . 53380 1 433 . 1 . 1 102 102 SER N N 15 117.752 0.016 . 1 . . . . . 285 SER N . 53380 1 434 . 1 . 1 104 104 LEU C C 13 177.599 0.000 . 1 . . . . . 287 LEU C . 53380 1 435 . 1 . 1 104 104 LEU CA C 13 55.445 0.000 . 1 . . . . . 287 LEU CA . 53380 1 436 . 1 . 1 104 104 LEU CB C 13 42.279 0.000 . 1 . . . . . 287 LEU CB . 53380 1 437 . 1 . 1 105 105 SER H H 1 8.111 0.002 . 1 . . . . . 288 SER H . 53380 1 438 . 1 . 1 105 105 SER C C 13 174.355 0.000 . 1 . . . . . 288 SER C . 53380 1 439 . 1 . 1 105 105 SER CA C 13 58.482 0.011 . 1 . . . . . 288 SER CA . 53380 1 440 . 1 . 1 105 105 SER CB C 13 63.881 0.024 . 1 . . . . . 288 SER CB . 53380 1 441 . 1 . 1 105 105 SER N N 15 115.999 0.024 . 1 . . . . . 288 SER N . 53380 1 442 . 1 . 1 106 106 ASP H H 1 8.266 0.001 . 1 . . . . . 289 ASP H . 53380 1 443 . 1 . 1 106 106 ASP C C 13 176.540 0.000 . 1 . . . . . 289 ASP C . 53380 1 444 . 1 . 1 106 106 ASP CA C 13 54.647 0.022 . 1 . . . . . 289 ASP CA . 53380 1 445 . 1 . 1 106 106 ASP CB C 13 41.186 0.009 . 1 . . . . . 289 ASP CB . 53380 1 446 . 1 . 1 106 106 ASP N N 15 122.385 0.012 . 1 . . . . . 289 ASP N . 53380 1 447 . 1 . 1 107 107 GLU H H 1 8.287 0.001 . 1 . . . . . 290 GLU H . 53380 1 448 . 1 . 1 107 107 GLU C C 13 177.387 0.000 . 1 . . . . . 290 GLU C . 53380 1 449 . 1 . 1 107 107 GLU CA C 13 57.345 0.023 . 1 . . . . . 290 GLU CA . 53380 1 450 . 1 . 1 107 107 GLU CB C 13 29.999 0.015 . 1 . . . . . 290 GLU CB . 53380 1 451 . 1 . 1 107 107 GLU N N 15 120.948 0.007 . 1 . . . . . 290 GLU N . 53380 1 452 . 1 . 1 108 108 GLY H H 1 8.397 0.000 . 1 . . . . . 291 GLY H . 53380 1 453 . 1 . 1 108 108 GLY C C 13 174.565 0.000 . 1 . . . . . 291 GLY C . 53380 1 454 . 1 . 1 108 108 GLY CA C 13 45.698 0.023 . 1 . . . . . 291 GLY CA . 53380 1 455 . 1 . 1 108 108 GLY N N 15 109.419 0.012 . 1 . . . . . 291 GLY N . 53380 1 456 . 1 . 1 109 109 LYS H H 1 7.944 0.001 . 1 . . . . . 292 LYS H . 53380 1 457 . 1 . 1 109 109 LYS C C 13 176.554 0.000 . 1 . . . . . 292 LYS C . 53380 1 458 . 1 . 1 109 109 LYS CA C 13 56.557 0.026 . 1 . . . . . 292 LYS CA . 53380 1 459 . 1 . 1 109 109 LYS CB C 13 32.939 0.010 . 1 . . . . . 292 LYS CB . 53380 1 460 . 1 . 1 109 109 LYS N N 15 120.263 0.002 . 1 . . . . . 292 LYS N . 53380 1 461 . 1 . 1 110 110 ASN H H 1 8.382 0.001 . 1 . . . . . 293 ASN H . 53380 1 462 . 1 . 1 110 110 ASN C C 13 175.433 0.000 . 1 . . . . . 293 ASN C . 53380 1 463 . 1 . 1 110 110 ASN CA C 13 53.414 0.062 . 1 . . . . . 293 ASN CA . 53380 1 464 . 1 . 1 110 110 ASN CB C 13 38.982 0.040 . 1 . . . . . 293 ASN CB . 53380 1 465 . 1 . 1 110 110 ASN N N 15 119.265 0.023 . 1 . . . . . 293 ASN N . 53380 1 466 . 1 . 1 111 111 SER H H 1 8.203 0.003 . 1 . . . . . 294 SER H . 53380 1 467 . 1 . 1 111 111 SER C C 13 174.568 0.000 . 1 . . . . . 294 SER C . 53380 1 468 . 1 . 1 111 111 SER CA C 13 58.761 0.076 . 1 . . . . . 294 SER CA . 53380 1 469 . 1 . 1 111 111 SER CB C 13 63.836 0.003 . 1 . . . . . 294 SER CB . 53380 1 470 . 1 . 1 111 111 SER N N 15 116.150 0.006 . 1 . . . . . 294 SER N . 53380 1 471 . 1 . 1 112 112 ASP H H 1 8.348 0.002 . 1 . . . . . 295 ASP H . 53380 1 472 . 1 . 1 112 112 ASP C C 13 176.677 0.000 . 1 . . . . . 295 ASP C . 53380 1 473 . 1 . 1 112 112 ASP CA C 13 54.750 0.018 . 1 . . . . . 295 ASP CA . 53380 1 474 . 1 . 1 112 112 ASP CB C 13 41.153 0.003 . 1 . . . . . 295 ASP CB . 53380 1 475 . 1 . 1 112 112 ASP N N 15 122.489 0.032 . 1 . . . . . 295 ASP N . 53380 1 476 . 1 . 1 113 113 SER H H 1 8.182 0.001 . 1 . . . . . 296 SER H . 53380 1 477 . 1 . 1 113 113 SER C C 13 175.015 0.000 . 1 . . . . . 296 SER C . 53380 1 478 . 1 . 1 113 113 SER CA C 13 59.348 0.014 . 1 . . . . . 296 SER CA . 53380 1 479 . 1 . 1 113 113 SER CB C 13 63.606 0.038 . 1 . . . . . 296 SER CB . 53380 1 480 . 1 . 1 113 113 SER N N 15 116.058 0.008 . 1 . . . . . 296 SER N . 53380 1 481 . 1 . 1 114 114 ALA H H 1 8.228 0.001 . 1 . . . . . 297 ALA H . 53380 1 482 . 1 . 1 114 114 ALA C C 13 178.587 0.000 . 1 . . . . . 297 ALA C . 53380 1 483 . 1 . 1 114 114 ALA CA C 13 53.493 0.071 . 1 . . . . . 297 ALA CA . 53380 1 484 . 1 . 1 114 114 ALA CB C 13 19.096 0.005 . 1 . . . . . 297 ALA CB . 53380 1 485 . 1 . 1 114 114 ALA N N 15 125.190 0.007 . 1 . . . . . 297 ALA N . 53380 1 486 . 1 . 1 115 115 THR H H 1 7.939 0.001 . 1 . . . . . 298 THR H . 53380 1 487 . 1 . 1 115 115 THR C C 13 175.029 0.000 . 1 . . . . . 298 THR C . 53380 1 488 . 1 . 1 115 115 THR CA C 13 62.892 0.007 . 1 . . . . . 298 THR CA . 53380 1 489 . 1 . 1 115 115 THR CB C 13 69.461 0.015 . 1 . . . . . 298 THR CB . 53380 1 490 . 1 . 1 115 115 THR N N 15 112.608 0.008 . 1 . . . . . 298 THR N . 53380 1 491 . 1 . 1 116 116 ARG H H 1 8.036 0.001 . 1 . . . . . 299 ARG H . 53380 1 492 . 1 . 1 116 116 ARG C C 13 176.480 0.000 . 1 . . . . . 299 ARG C . 53380 1 493 . 1 . 1 116 116 ARG CA C 13 56.781 0.000 . 1 . . . . . 299 ARG CA . 53380 1 494 . 1 . 1 116 116 ARG CB C 13 30.676 0.010 . 1 . . . . . 299 ARG CB . 53380 1 495 . 1 . 1 116 116 ARG N N 15 123.227 0.008 . 1 . . . . . 299 ARG N . 53380 1 496 . 1 . 1 117 117 LEU H H 1 8.081 0.001 . 1 . . . . . 300 LEU H . 53380 1 497 . 1 . 1 117 117 LEU C C 13 177.498 0.000 . 1 . . . . . 300 LEU C . 53380 1 498 . 1 . 1 117 117 LEU CA C 13 55.462 0.002 . 1 . . . . . 300 LEU CA . 53380 1 499 . 1 . 1 117 117 LEU CB C 13 42.225 0.066 . 1 . . . . . 300 LEU CB . 53380 1 500 . 1 . 1 117 117 LEU N N 15 122.623 0.024 . 1 . . . . . 300 LEU N . 53380 1 501 . 1 . 1 118 118 LEU H H 1 8.086 0.001 . 1 . . . . . 301 LEU H . 53380 1 502 . 1 . 1 118 118 LEU C C 13 177.598 0.000 . 1 . . . . . 301 LEU C . 53380 1 503 . 1 . 1 118 118 LEU CA C 13 55.451 0.030 . 1 . . . . . 301 LEU CA . 53380 1 504 . 1 . 1 118 118 LEU CB C 13 42.292 0.015 . 1 . . . . . 301 LEU CB . 53380 1 505 . 1 . 1 118 118 LEU N N 15 122.625 0.007 . 1 . . . . . 301 LEU N . 53380 1 506 . 1 . 1 119 119 SER H H 1 8.155 0.001 . 1 . . . . . 302 SER H . 53380 1 507 . 1 . 1 119 119 SER C C 13 174.524 0.000 . 1 . . . . . 302 SER C . 53380 1 508 . 1 . 1 119 119 SER CA C 13 58.490 0.037 . 1 . . . . . 302 SER CA . 53380 1 509 . 1 . 1 119 119 SER CB C 13 63.903 0.059 . 1 . . . . . 302 SER CB . 53380 1 510 . 1 . 1 119 119 SER N N 15 115.895 0.021 . 1 . . . . . 302 SER N . 53380 1 511 . 1 . 1 120 120 ALA H H 1 8.241 0.001 . 1 . . . . . 303 ALA H . 53380 1 512 . 1 . 1 120 120 ALA C C 13 178.224 0.000 . 1 . . . . . 303 ALA C . 53380 1 513 . 1 . 1 120 120 ALA CA C 13 53.123 0.024 . 1 . . . . . 303 ALA CA . 53380 1 514 . 1 . 1 120 120 ALA CB C 13 19.160 0.010 . 1 . . . . . 303 ALA CB . 53380 1 515 . 1 . 1 120 120 ALA N N 15 125.622 0.034 . 1 . . . . . 303 ALA N . 53380 1 516 . 1 . 1 121 121 GLU H H 1 8.302 0.001 . 1 . . . . . 304 GLU H . 53380 1 517 . 1 . 1 121 121 GLU C C 13 177.243 0.000 . 1 . . . . . 304 GLU C . 53380 1 518 . 1 . 1 121 121 GLU CA C 13 57.261 0.060 . 1 . . . . . 304 GLU CA . 53380 1 519 . 1 . 1 121 121 GLU CB C 13 30.095 0.012 . 1 . . . . . 304 GLU CB . 53380 1 520 . 1 . 1 121 121 GLU N N 15 119.420 0.008 . 1 . . . . . 304 GLU N . 53380 1 521 . 1 . 1 122 122 THR H H 1 8.011 0.001 . 1 . . . . . 305 THR H . 53380 1 522 . 1 . 1 122 122 THR C C 13 174.767 0.000 . 1 . . . . . 305 THR C . 53380 1 523 . 1 . 1 122 122 THR CA C 13 62.661 0.000 . 1 . . . . . 305 THR CA . 53380 1 524 . 1 . 1 122 122 THR CB C 13 69.707 0.019 . 1 . . . . . 305 THR CB . 53380 1 525 . 1 . 1 122 122 THR N N 15 114.695 0.025 . 1 . . . . . 305 THR N . 53380 1 526 . 1 . 1 123 123 ALA H H 1 8.182 0.002 . 1 . . . . . 306 ALA H . 53380 1 527 . 1 . 1 123 123 ALA C C 13 178.080 0.000 . 1 . . . . . 306 ALA C . 53380 1 528 . 1 . 1 123 123 ALA CA C 13 52.865 0.000 . 1 . . . . . 306 ALA CA . 53380 1 529 . 1 . 1 123 123 ALA CB C 13 19.183 0.000 . 1 . . . . . 306 ALA CB . 53380 1 530 . 1 . 1 123 123 ALA N N 15 125.910 0.011 . 1 . . . . . 306 ALA N . 53380 1 531 . 1 . 1 126 126 GLU C C 13 174.626 0.000 . 1 . . . . . 309 GLU C . 53380 1 532 . 1 . 1 126 126 GLU CA C 13 58.889 0.000 . 1 . . . . . 309 GLU CA . 53380 1 533 . 1 . 1 126 126 GLU CB C 13 30.689 0.000 . 1 . . . . . 309 GLU CB . 53380 1 534 . 1 . 1 127 127 ARG H H 1 8.141 0.001 . 1 . . . . . 310 ARG H . 53380 1 535 . 1 . 1 127 127 ARG C C 13 176.435 0.000 . 1 . . . . . 310 ARG C . 53380 1 536 . 1 . 1 127 127 ARG CA C 13 56.388 0.029 . 1 . . . . . 310 ARG CA . 53380 1 537 . 1 . 1 127 127 ARG CB C 13 30.711 0.019 . 1 . . . . . 310 ARG CB . 53380 1 538 . 1 . 1 127 127 ARG N N 15 122.515 0.027 . 1 . . . . . 310 ARG N . 53380 1 539 . 1 . 1 128 128 LEU H H 1 8.136 0.002 . 1 . . . . . 311 LEU H . 53380 1 540 . 1 . 1 128 128 LEU C C 13 177.625 0.000 . 1 . . . . . 311 LEU C . 53380 1 541 . 1 . 1 128 128 LEU CA C 13 55.449 0.000 . 1 . . . . . 311 LEU CA . 53380 1 542 . 1 . 1 128 128 LEU CB C 13 42.341 0.055 . 1 . . . . . 311 LEU CB . 53380 1 543 . 1 . 1 128 128 LEU N N 15 122.576 0.040 . 1 . . . . . 311 LEU N . 53380 1 544 . 1 . 1 129 129 SER H H 1 7.997 0.001 . 1 . . . . . 312 SER H . 53380 1 545 . 1 . 1 129 129 SER C C 13 173.445 0.000 . 1 . . . . . 312 SER C . 53380 1 546 . 1 . 1 129 129 SER CA C 13 57.980 0.011 . 1 . . . . . 312 SER CA . 53380 1 547 . 1 . 1 129 129 SER CB C 13 64.029 0.038 . 1 . . . . . 312 SER CB . 53380 1 548 . 1 . 1 129 129 SER N N 15 115.717 0.012 . 1 . . . . . 312 SER N . 53380 1 549 . 1 . 1 130 130 TYR H H 1 8.037 0.002 . 1 . . . . . 313 TYR H . 53380 1 550 . 1 . 1 130 130 TYR C C 13 173.982 0.000 . 1 . . . . . 313 TYR C . 53380 1 551 . 1 . 1 130 130 TYR CA C 13 56.013 0.000 . 1 . . . . . 313 TYR CA . 53380 1 552 . 1 . 1 130 130 TYR CB C 13 38.418 0.000 . 1 . . . . . 313 TYR CB . 53380 1 553 . 1 . 1 130 130 TYR N N 15 122.577 0.014 . 1 . . . . . 313 TYR N . 53380 1 554 . 1 . 1 134 134 SER C C 13 174.535 0.000 . 1 . . . . . 317 SER C . 53380 1 555 . 1 . 1 134 134 SER CA C 13 58.597 0.000 . 1 . . . . . 317 SER CA . 53380 1 556 . 1 . 1 134 134 SER CB C 13 63.790 0.000 . 1 . . . . . 317 SER CB . 53380 1 557 . 1 . 1 135 135 LYS H H 1 8.174 0.008 . 1 . . . . . 318 LYS H . 53380 1 558 . 1 . 1 135 135 LYS C C 13 176.136 0.000 . 1 . . . . . 318 LYS C . 53380 1 559 . 1 . 1 135 135 LYS CA C 13 56.443 0.007 . 1 . . . . . 318 LYS CA . 53380 1 560 . 1 . 1 135 135 LYS CB C 13 32.949 0.021 . 1 . . . . . 318 LYS CB . 53380 1 561 . 1 . 1 135 135 LYS N N 15 123.011 0.049 . 1 . . . . . 318 LYS N . 53380 1 562 . 1 . 1 136 136 LYS H H 1 8.133 0.003 . 1 . . . . . 319 LYS H . 53380 1 563 . 1 . 1 136 136 LYS C C 13 176.337 0.000 . 1 . . . . . 319 LYS C . 53380 1 564 . 1 . 1 136 136 LYS CA C 13 56.303 0.029 . 1 . . . . . 319 LYS CA . 53380 1 565 . 1 . 1 136 136 LYS CB C 13 33.186 0.020 . 1 . . . . . 319 LYS CB . 53380 1 566 . 1 . 1 136 136 LYS N N 15 122.273 0.007 . 1 . . . . . 319 LYS N . 53380 1 567 . 1 . 1 137 137 LYS H H 1 8.206 0.001 . 1 . . . . . 320 LYS H . 53380 1 568 . 1 . 1 137 137 LYS C C 13 176.271 0.000 . 1 . . . . . 320 LYS C . 53380 1 569 . 1 . 1 137 137 LYS CA C 13 56.331 0.010 . 1 . . . . . 320 LYS CA . 53380 1 570 . 1 . 1 137 137 LYS CB C 13 33.017 0.008 . 1 . . . . . 320 LYS CB . 53380 1 571 . 1 . 1 137 137 LYS N N 15 123.213 0.041 . 1 . . . . . 320 LYS N . 53380 1 572 . 1 . 1 138 138 ILE H H 1 8.047 0.001 . 1 . . . . . 321 ILE H . 53380 1 573 . 1 . 1 138 138 ILE C C 13 175.324 0.000 . 1 . . . . . 321 ILE C . 53380 1 574 . 1 . 1 138 138 ILE CA C 13 61.012 0.013 . 1 . . . . . 321 ILE CA . 53380 1 575 . 1 . 1 138 138 ILE CB C 13 39.006 0.000 . 1 . . . . . 321 ILE CB . 53380 1 576 . 1 . 1 138 138 ILE N N 15 122.793 0.028 . 1 . . . . . 321 ILE N . 53380 1 577 . 1 . 1 139 139 ASP H H 1 8.145 0.001 . 1 . . . . . 322 ASP H . 53380 1 578 . 1 . 1 139 139 ASP C C 13 176.139 0.000 . 1 . . . . . 322 ASP C . 53380 1 579 . 1 . 1 139 139 ASP CA C 13 53.344 0.030 . 1 . . . . . 322 ASP CA . 53380 1 580 . 1 . 1 139 139 ASP CB C 13 40.873 0.001 . 1 . . . . . 322 ASP CB . 53380 1 581 . 1 . 1 139 139 ASP N N 15 124.182 0.042 . 1 . . . . . 322 ASP N . 53380 1 582 . 1 . 1 140 140 TRP H H 1 8.031 0.002 . 1 . . . . . 323 TRP H . 53380 1 583 . 1 . 1 140 140 TRP C C 13 176.595 0.000 . 1 . . . . . 323 TRP C . 53380 1 584 . 1 . 1 140 140 TRP CA C 13 58.117 0.012 . 1 . . . . . 323 TRP CA . 53380 1 585 . 1 . 1 140 140 TRP CB C 13 29.309 0.003 . 1 . . . . . 323 TRP CB . 53380 1 586 . 1 . 1 140 140 TRP N N 15 123.530 0.030 . 1 . . . . . 323 TRP N . 53380 1 587 . 1 . 1 141 141 SER H H 1 8.196 0.002 . 1 . . . . . 324 SER H . 53380 1 588 . 1 . 1 141 141 SER C C 13 174.617 0.000 . 1 . . . . . 324 SER C . 53380 1 589 . 1 . 1 141 141 SER CA C 13 59.433 0.049 . 1 . . . . . 324 SER CA . 53380 1 590 . 1 . 1 141 141 SER CB C 13 63.737 0.013 . 1 . . . . . 324 SER CB . 53380 1 591 . 1 . 1 141 141 SER N N 15 116.126 0.011 . 1 . . . . . 324 SER N . 53380 1 592 . 1 . 1 142 142 LYS H H 1 7.724 0.001 . 1 . . . . . 325 LYS H . 53380 1 593 . 1 . 1 142 142 LYS C C 13 176.241 0.000 . 1 . . . . . 325 LYS C . 53380 1 594 . 1 . 1 142 142 LYS CA C 13 56.158 0.003 . 1 . . . . . 325 LYS CA . 53380 1 595 . 1 . 1 142 142 LYS CB C 13 32.814 0.007 . 1 . . . . . 325 LYS CB . 53380 1 596 . 1 . 1 142 142 LYS N N 15 121.872 0.010 . 1 . . . . . 325 LYS N . 53380 1 597 . 1 . 1 143 143 LEU H H 1 7.862 0.001 . 1 . . . . . 326 LEU H . 53380 1 598 . 1 . 1 143 143 LEU C C 13 176.876 0.000 . 1 . . . . . 326 LEU C . 53380 1 599 . 1 . 1 143 143 LEU CA C 13 55.339 0.053 . 1 . . . . . 326 LEU CA . 53380 1 600 . 1 . 1 143 143 LEU CB C 13 42.587 0.013 . 1 . . . . . 326 LEU CB . 53380 1 601 . 1 . 1 143 143 LEU N N 15 121.872 0.008 . 1 . . . . . 326 LEU N . 53380 1 602 . 1 . 1 144 144 ASP H H 1 8.207 0.002 . 1 . . . . . 327 ASP H . 53380 1 603 . 1 . 1 144 144 ASP C C 13 175.964 0.000 . 1 . . . . . 327 ASP C . 53380 1 604 . 1 . 1 144 144 ASP CA C 13 54.253 0.005 . 1 . . . . . 327 ASP CA . 53380 1 605 . 1 . 1 144 144 ASP CB C 13 40.991 0.008 . 1 . . . . . 327 ASP CB . 53380 1 606 . 1 . 1 144 144 ASP N N 15 120.818 0.017 . 1 . . . . . 327 ASP N . 53380 1 607 . 1 . 1 145 145 ILE H H 1 7.833 0.002 . 1 . . . . . 328 ILE H . 53380 1 608 . 1 . 1 145 145 ILE C C 13 175.790 0.000 . 1 . . . . . 328 ILE C . 53380 1 609 . 1 . 1 145 145 ILE CA C 13 61.157 0.010 . 1 . . . . . 328 ILE CA . 53380 1 610 . 1 . 1 145 145 ILE CB C 13 39.199 0.048 . 1 . . . . . 328 ILE CB . 53380 1 611 . 1 . 1 145 145 ILE N N 15 119.594 0.010 . 1 . . . . . 328 ILE N . 53380 1 612 . 1 . 1 146 146 ASP H H 1 8.288 0.001 . 1 . . . . . 329 ASP H . 53380 1 613 . 1 . 1 146 146 ASP C C 13 176.153 0.000 . 1 . . . . . 329 ASP C . 53380 1 614 . 1 . 1 146 146 ASP CA C 13 54.333 0.015 . 1 . . . . . 329 ASP CA . 53380 1 615 . 1 . 1 146 146 ASP CB C 13 41.282 0.008 . 1 . . . . . 329 ASP CB . 53380 1 616 . 1 . 1 146 146 ASP N N 15 123.911 0.008 . 1 . . . . . 329 ASP N . 53380 1 617 . 1 . 1 147 147 GLU H H 1 8.243 0.001 . 1 . . . . . 330 GLU H . 53380 1 618 . 1 . 1 147 147 GLU C C 13 176.456 0.000 . 1 . . . . . 330 GLU C . 53380 1 619 . 1 . 1 147 147 GLU CA C 13 56.930 0.060 . 1 . . . . . 330 GLU CA . 53380 1 620 . 1 . 1 147 147 GLU CB C 13 30.499 0.007 . 1 . . . . . 330 GLU CB . 53380 1 621 . 1 . 1 147 147 GLU N N 15 121.737 0.010 . 1 . . . . . 330 GLU N . 53380 1 622 . 1 . 1 148 148 GLU H H 1 8.309 0.001 . 1 . . . . . 331 GLU H . 53380 1 623 . 1 . 1 148 148 GLU C C 13 176.304 0.000 . 1 . . . . . 331 GLU C . 53380 1 624 . 1 . 1 148 148 GLU CA C 13 56.532 0.004 . 1 . . . . . 331 GLU CA . 53380 1 625 . 1 . 1 148 148 GLU CB C 13 30.239 0.064 . 1 . . . . . 331 GLU CB . 53380 1 626 . 1 . 1 148 148 GLU N N 15 121.298 0.016 . 1 . . . . . 331 GLU N . 53380 1 627 . 1 . 1 149 149 ALA H H 1 8.101 0.001 . 1 . . . . . 332 ALA H . 53380 1 628 . 1 . 1 149 149 ALA C C 13 177.428 0.000 . 1 . . . . . 332 ALA C . 53380 1 629 . 1 . 1 149 149 ALA CA C 13 52.504 0.043 . 1 . . . . . 332 ALA CA . 53380 1 630 . 1 . 1 149 149 ALA CB C 13 19.483 0.021 . 1 . . . . . 332 ALA CB . 53380 1 631 . 1 . 1 149 149 ALA N N 15 124.831 0.015 . 1 . . . . . 332 ALA N . 53380 1 632 . 1 . 1 150 150 ASP H H 1 8.220 0.002 . 1 . . . . . 333 ASP H . 53380 1 633 . 1 . 1 150 150 ASP C C 13 176.567 0.000 . 1 . . . . . 333 ASP C . 53380 1 634 . 1 . 1 150 150 ASP CA C 13 54.319 0.018 . 1 . . . . . 333 ASP CA . 53380 1 635 . 1 . 1 150 150 ASP CB C 13 41.345 0.026 . 1 . . . . . 333 ASP CB . 53380 1 636 . 1 . 1 150 150 ASP N N 15 120.116 0.023 . 1 . . . . . 333 ASP N . 53380 1 637 . 1 . 1 151 151 GLU H H 1 8.343 0.001 . 1 . . . . . 334 GLU H . 53380 1 638 . 1 . 1 151 151 GLU C C 13 176.818 0.000 . 1 . . . . . 334 GLU C . 53380 1 639 . 1 . 1 151 151 GLU CA C 13 57.065 0.046 . 1 . . . . . 334 GLU CA . 53380 1 640 . 1 . 1 151 151 GLU CB C 13 30.325 0.007 . 1 . . . . . 334 GLU CB . 53380 1 641 . 1 . 1 151 151 GLU N N 15 121.663 0.002 . 1 . . . . . 334 GLU N . 53380 1 642 . 1 . 1 152 152 GLU H H 1 8.354 0.001 . 1 . . . . . 335 GLU H . 53380 1 643 . 1 . 1 152 152 GLU C C 13 176.733 0.000 . 1 . . . . . 335 GLU C . 53380 1 644 . 1 . 1 152 152 GLU CA C 13 56.963 0.000 . 1 . . . . . 335 GLU CA . 53380 1 645 . 1 . 1 152 152 GLU CB C 13 30.097 0.069 . 1 . . . . . 335 GLU CB . 53380 1 646 . 1 . 1 152 152 GLU N N 15 121.294 0.001 . 1 . . . . . 335 GLU N . 53380 1 647 . 1 . 1 153 153 ALA H H 1 8.171 0.001 . 1 . . . . . 336 ALA H . 53380 1 648 . 1 . 1 153 153 ALA C C 13 178.460 0.000 . 1 . . . . . 336 ALA C . 53380 1 649 . 1 . 1 153 153 ALA CA C 13 53.069 0.029 . 1 . . . . . 336 ALA CA . 53380 1 650 . 1 . 1 153 153 ALA CB C 13 19.103 0.025 . 1 . . . . . 336 ALA CB . 53380 1 651 . 1 . 1 153 153 ALA N N 15 124.707 0.029 . 1 . . . . . 336 ALA N . 53380 1 652 . 1 . 1 154 154 GLY H H 1 8.264 0.000 . 1 . . . . . 337 GLY H . 53380 1 653 . 1 . 1 154 154 GLY C C 13 174.396 0.000 . 1 . . . . . 337 GLY C . 53380 1 654 . 1 . 1 154 154 GLY CA C 13 45.463 0.027 . 1 . . . . . 337 GLY CA . 53380 1 655 . 1 . 1 154 154 GLY N N 15 107.707 0.034 . 1 . . . . . 337 GLY N . 53380 1 656 . 1 . 1 155 155 SER H H 1 8.043 0.001 . 1 . . . . . 338 SER H . 53380 1 657 . 1 . 1 155 155 SER C C 13 174.938 0.000 . 1 . . . . . 338 SER C . 53380 1 658 . 1 . 1 155 155 SER CA C 13 58.449 0.042 . 1 . . . . . 338 SER CA . 53380 1 659 . 1 . 1 155 155 SER CB C 13 64.089 0.034 . 1 . . . . . 338 SER CB . 53380 1 660 . 1 . 1 155 155 SER N N 15 115.362 0.014 . 1 . . . . . 338 SER N . 53380 1 661 . 1 . 1 156 156 ALA H H 1 8.436 0.005 . 1 . . . . . 339 ALA H . 53380 1 662 . 1 . 1 156 156 ALA C C 13 178.002 0.000 . 1 . . . . . 339 ALA C . 53380 1 663 . 1 . 1 156 156 ALA CA C 13 53.580 0.000 . 1 . . . . . 339 ALA CA . 53380 1 664 . 1 . 1 156 156 ALA CB C 13 18.992 0.000 . 1 . . . . . 339 ALA CB . 53380 1 665 . 1 . 1 156 156 ALA N N 15 125.942 0.014 . 1 . . . . . 339 ALA N . 53380 1 666 . 1 . 1 157 157 ASP H H 1 8.189 0.002 . 1 . . . . . 340 ASP H . 53380 1 667 . 1 . 1 157 157 ASP C C 13 177.066 0.000 . 1 . . . . . 340 ASP C . 53380 1 668 . 1 . 1 157 157 ASP CA C 13 55.385 0.079 . 1 . . . . . 340 ASP CA . 53380 1 669 . 1 . 1 157 157 ASP CB C 13 41.177 0.007 . 1 . . . . . 340 ASP CB . 53380 1 670 . 1 . 1 157 157 ASP N N 15 118.288 0.017 . 1 . . . . . 340 ASP N . 53380 1 671 . 1 . 1 158 158 SER H H 1 8.069 0.002 . 1 . . . . . 341 SER H . 53380 1 672 . 1 . 1 158 158 SER CA C 13 59.843 0.000 . 1 . . . . . 341 SER CA . 53380 1 673 . 1 . 1 158 158 SER CB C 13 63.595 0.022 . 1 . . . . . 341 SER CB . 53380 1 674 . 1 . 1 158 158 SER N N 15 115.731 0.021 . 1 . . . . . 341 SER N . 53380 1 675 . 1 . 1 159 159 PHE H H 1 8.148 0.002 . 1 . . . . . 342 PHE H . 53380 1 676 . 1 . 1 159 159 PHE C C 13 176.650 0.000 . 1 . . . . . 342 PHE C . 53380 1 677 . 1 . 1 159 159 PHE CA C 13 60.135 0.014 . 1 . . . . . 342 PHE CA . 53380 1 678 . 1 . 1 159 159 PHE CB C 13 39.349 0.000 . 1 . . . . . 342 PHE CB . 53380 1 679 . 1 . 1 159 159 PHE N N 15 122.469 0.012 . 1 . . . . . 342 PHE N . 53380 1 680 . 1 . 1 160 160 PHE H H 1 8.081 0.006 . 1 . . . . . 343 PHE H . 53380 1 681 . 1 . 1 160 160 PHE C C 13 176.564 0.000 . 1 . . . . . 343 PHE C . 53380 1 682 . 1 . 1 160 160 PHE CA C 13 60.394 0.033 . 1 . . . . . 343 PHE CA . 53380 1 683 . 1 . 1 160 160 PHE CB C 13 39.166 0.052 . 1 . . . . . 343 PHE CB . 53380 1 684 . 1 . 1 160 160 PHE N N 15 119.069 0.040 . 1 . . . . . 343 PHE N . 53380 1 685 . 1 . 1 161 161 GLN H H 1 8.029 0.003 . 1 . . . . . 344 GLN H . 53380 1 686 . 1 . 1 161 161 GLN C C 13 177.521 0.000 . 1 . . . . . 344 GLN C . 53380 1 687 . 1 . 1 161 161 GLN CA C 13 57.954 0.037 . 1 . . . . . 344 GLN CA . 53380 1 688 . 1 . 1 161 161 GLN CB C 13 28.630 0.033 . 1 . . . . . 344 GLN CB . 53380 1 689 . 1 . 1 161 161 GLN N N 15 118.534 0.025 . 1 . . . . . 344 GLN N . 53380 1 690 . 1 . 1 162 162 LYS H H 1 7.783 0.004 . 1 . . . . . 345 LYS H . 53380 1 691 . 1 . 1 162 162 LYS C C 13 177.840 0.000 . 1 . . . . . 345 LYS C . 53380 1 692 . 1 . 1 162 162 LYS CA C 13 58.093 0.030 . 1 . . . . . 345 LYS CA . 53380 1 693 . 1 . 1 162 162 LYS CB C 13 32.563 0.024 . 1 . . . . . 345 LYS CB . 53380 1 694 . 1 . 1 162 162 LYS N N 15 119.619 0.026 . 1 . . . . . 345 LYS N . 53380 1 695 . 1 . 1 163 163 LEU H H 1 7.703 0.002 . 1 . . . . . 346 LEU H . 53380 1 696 . 1 . 1 163 163 LEU C C 13 177.940 0.000 . 1 . . . . . 346 LEU C . 53380 1 697 . 1 . 1 163 163 LEU CA C 13 56.481 0.030 . 1 . . . . . 346 LEU CA . 53380 1 698 . 1 . 1 163 163 LEU CB C 13 42.305 0.013 . 1 . . . . . 346 LEU CB . 53380 1 699 . 1 . 1 163 163 LEU N N 15 121.086 0.017 . 1 . . . . . 346 LEU N . 53380 1 700 . 1 . 1 164 164 TYR H H 1 8.000 0.009 . 1 . . . . . 347 TYR H . 53380 1 701 . 1 . 1 164 164 TYR CA C 13 59.480 0.000 . 1 . . . . . 347 TYR CA . 53380 1 702 . 1 . 1 164 164 TYR CB C 13 38.692 0.000 . 1 . . . . . 347 TYR CB . 53380 1 703 . 1 . 1 164 164 TYR N N 15 118.592 0.039 . 1 . . . . . 347 TYR N . 53380 1 704 . 1 . 1 165 165 ALA C C 13 178.657 0.000 . 1 . . . . . 348 ALA C . 53380 1 705 . 1 . 1 165 165 ALA CA C 13 53.762 0.000 . 1 . . . . . 348 ALA CA . 53380 1 706 . 1 . 1 165 165 ALA CB C 13 18.773 0.000 . 1 . . . . . 348 ALA CB . 53380 1 707 . 1 . 1 166 166 GLY H H 1 7.686 0.001 . 1 . . . . . 349 GLY H . 53380 1 708 . 1 . 1 166 166 GLY C C 13 173.729 0.000 . 1 . . . . . 349 GLY C . 53380 1 709 . 1 . 1 166 166 GLY CA C 13 45.052 0.007 . 1 . . . . . 349 GLY CA . 53380 1 710 . 1 . 1 166 166 GLY N N 15 105.490 0.056 . 1 . . . . . 349 GLY N . 53380 1 711 . 1 . 1 167 167 ALA H H 1 7.529 0.004 . 1 . . . . . 350 ALA H . 53380 1 712 . 1 . 1 167 167 ALA C C 13 176.971 0.000 . 1 . . . . . 350 ALA C . 53380 1 713 . 1 . 1 167 167 ALA CA C 13 51.917 0.064 . 1 . . . . . 350 ALA CA . 53380 1 714 . 1 . 1 167 167 ALA CB C 13 19.572 0.033 . 1 . . . . . 350 ALA CB . 53380 1 715 . 1 . 1 167 167 ALA N N 15 123.287 0.004 . 1 . . . . . 350 ALA N . 53380 1 716 . 1 . 1 168 168 ASP H H 1 8.197 0.005 . 1 . . . . . 351 ASP H . 53380 1 717 . 1 . 1 168 168 ASP C C 13 176.740 0.000 . 1 . . . . . 351 ASP C . 53380 1 718 . 1 . 1 168 168 ASP CA C 13 52.570 0.000 . 1 . . . . . 351 ASP CA . 53380 1 719 . 1 . 1 168 168 ASP CB C 13 40.334 0.000 . 1 . . . . . 351 ASP CB . 53380 1 720 . 1 . 1 168 168 ASP N N 15 120.648 0.012 . 1 . . . . . 351 ASP N . 53380 1 721 . 1 . 1 169 169 PRO C C 13 178.349 0.000 . 1 . . . . . 352 PRO C . 53380 1 722 . 1 . 1 169 169 PRO CA C 13 65.534 0.000 . 1 . . . . . 352 PRO CA . 53380 1 723 . 1 . 1 169 169 PRO CB C 13 32.259 0.000 . 1 . . . . . 352 PRO CB . 53380 1 724 . 1 . 1 170 170 ASP H H 1 8.322 0.002 . 1 . . . . . 353 ASP H . 53380 1 725 . 1 . 1 170 170 ASP C C 13 178.368 0.000 . 1 . . . . . 353 ASP C . 53380 1 726 . 1 . 1 170 170 ASP CA C 13 56.801 0.000 . 1 . . . . . 353 ASP CA . 53380 1 727 . 1 . 1 170 170 ASP CB C 13 40.569 0.000 . 1 . . . . . 353 ASP CB . 53380 1 728 . 1 . 1 170 170 ASP N N 15 118.083 0.024 . 1 . . . . . 353 ASP N . 53380 1 729 . 1 . 1 171 171 THR C C 13 176.024 0.000 . 1 . . . . . 354 THR C . 53380 1 730 . 1 . 1 171 171 THR CA C 13 65.436 0.000 . 1 . . . . . 354 THR CA . 53380 1 731 . 1 . 1 171 171 THR CB C 13 68.270 0.000 . 1 . . . . . 354 THR CB . 53380 1 732 . 1 . 1 172 172 LYS H H 1 8.302 0.003 . 1 . . . . . 355 LYS H . 53380 1 733 . 1 . 1 172 172 LYS C C 13 178.063 0.000 . 1 . . . . . 355 LYS C . 53380 1 734 . 1 . 1 172 172 LYS CA C 13 59.658 0.067 . 1 . . . . . 355 LYS CA . 53380 1 735 . 1 . 1 172 172 LYS CB C 13 32.840 0.067 . 1 . . . . . 355 LYS CB . 53380 1 736 . 1 . 1 172 172 LYS N N 15 121.976 0.018 . 1 . . . . . 355 LYS N . 53380 1 737 . 1 . 1 173 173 ARG H H 1 7.781 0.001 . 1 . . . . . 356 ARG H . 53380 1 738 . 1 . 1 173 173 ARG C C 13 178.109 0.000 . 1 . . . . . 356 ARG C . 53380 1 739 . 1 . 1 173 173 ARG CA C 13 58.935 0.000 . 1 . . . . . 356 ARG CA . 53380 1 740 . 1 . 1 173 173 ARG CB C 13 30.278 0.045 . 1 . . . . . 356 ARG CB . 53380 1 741 . 1 . 1 173 173 ARG N N 15 118.525 0.032 . 1 . . . . . 356 ARG N . 53380 1 742 . 1 . 1 174 174 ALA H H 1 7.826 0.001 . 1 . . . . . 357 ALA H . 53380 1 743 . 1 . 1 174 174 ALA C C 13 179.862 0.000 . 1 . . . . . 357 ALA C . 53380 1 744 . 1 . 1 174 174 ALA CA C 13 54.416 0.012 . 1 . . . . . 357 ALA CA . 53380 1 745 . 1 . 1 174 174 ALA CB C 13 18.558 0.032 . 1 . . . . . 357 ALA CB . 53380 1 746 . 1 . 1 174 174 ALA N N 15 122.577 0.013 . 1 . . . . . 357 ALA N . 53380 1 747 . 1 . 1 175 175 MET H H 1 8.354 0.003 . 1 . . . . . 358 MET H . 53380 1 748 . 1 . 1 175 175 MET C C 13 177.849 0.000 . 1 . . . . . 358 MET C . 53380 1 749 . 1 . 1 175 175 MET CA C 13 57.811 0.002 . 1 . . . . . 358 MET CA . 53380 1 750 . 1 . 1 175 175 MET CB C 13 32.946 0.000 . 1 . . . . . 358 MET CB . 53380 1 751 . 1 . 1 175 175 MET N N 15 118.551 0.028 . 1 . . . . . 358 MET N . 53380 1 752 . 1 . 1 176 176 MET H H 1 8.164 0.002 . 1 . . . . . 359 MET H . 53380 1 753 . 1 . 1 176 176 MET C C 13 177.175 0.000 . 1 . . . . . 359 MET C . 53380 1 754 . 1 . 1 176 176 MET CA C 13 57.391 0.000 . 1 . . . . . 359 MET CA . 53380 1 755 . 1 . 1 176 176 MET CB C 13 33.227 0.000 . 1 . . . . . 359 MET CB . 53380 1 756 . 1 . 1 176 176 MET N N 15 119.493 0.021 . 1 . . . . . 359 MET N . 53380 1 757 . 1 . 1 181 181 GLU C C 13 177.313 0.000 . 1 . . . . . 364 GLU C . 53380 1 758 . 1 . 1 181 181 GLU CA C 13 57.721 0.000 . 1 . . . . . 364 GLU CA . 53380 1 759 . 1 . 1 181 181 GLU CB C 13 29.922 0.000 . 1 . . . . . 364 GLU CB . 53380 1 760 . 1 . 1 182 182 SER H H 1 7.982 0.003 . 1 . . . . . 365 SER H . 53380 1 761 . 1 . 1 182 182 SER C C 13 174.834 0.000 . 1 . . . . . 365 SER C . 53380 1 762 . 1 . 1 182 182 SER CA C 13 59.219 0.000 . 1 . . . . . 365 SER CA . 53380 1 763 . 1 . 1 182 182 SER CB C 13 63.891 0.025 . 1 . . . . . 365 SER CB . 53380 1 764 . 1 . 1 182 182 SER N N 15 114.709 0.008 . 1 . . . . . 365 SER N . 53380 1 765 . 1 . 1 183 183 ASN H H 1 8.147 0.007 . 1 . . . . . 366 ASN H . 53380 1 766 . 1 . 1 183 183 ASN C C 13 175.683 0.000 . 1 . . . . . 366 ASN C . 53380 1 767 . 1 . 1 183 183 ASN CA C 13 53.767 0.034 . 1 . . . . . 366 ASN CA . 53380 1 768 . 1 . 1 183 183 ASN CB C 13 38.983 0.037 . 1 . . . . . 366 ASN CB . 53380 1 769 . 1 . 1 183 183 ASN N N 15 119.945 0.028 . 1 . . . . . 366 ASN N . 53380 1 770 . 1 . 1 184 184 GLY H H 1 8.204 0.001 . 1 . . . . . 367 GLY H . 53380 1 771 . 1 . 1 184 184 GLY C C 13 174.384 0.000 . 1 . . . . . 367 GLY C . 53380 1 772 . 1 . 1 184 184 GLY CA C 13 45.735 0.011 . 1 . . . . . 367 GLY CA . 53380 1 773 . 1 . 1 184 184 GLY N N 15 108.242 0.014 . 1 . . . . . 367 GLY N . 53380 1 774 . 1 . 1 185 185 THR H H 1 7.822 0.001 . 1 . . . . . 368 THR H . 53380 1 775 . 1 . 1 185 185 THR C C 13 174.320 0.000 . 1 . . . . . 368 THR C . 53380 1 776 . 1 . 1 185 185 THR CA C 13 62.041 0.000 . 1 . . . . . 368 THR CA . 53380 1 777 . 1 . 1 185 185 THR CB C 13 69.955 0.000 . 1 . . . . . 368 THR CB . 53380 1 778 . 1 . 1 185 185 THR N N 15 112.982 0.023 . 1 . . . . . 368 THR N . 53380 1 779 . 1 . 1 186 186 ALA H H 1 8.178 0.001 . 1 . . . . . 369 ALA H . 53380 1 780 . 1 . 1 186 186 ALA C C 13 177.389 0.000 . 1 . . . . . 369 ALA C . 53380 1 781 . 1 . 1 186 186 ALA CA C 13 52.886 0.000 . 1 . . . . . 369 ALA CA . 53380 1 782 . 1 . 1 186 186 ALA CB C 13 19.260 0.057 . 1 . . . . . 369 ALA CB . 53380 1 783 . 1 . 1 186 186 ALA N N 15 125.918 0.027 . 1 . . . . . 369 ALA N . 53380 1 784 . 1 . 1 187 187 LEU H H 1 8.074 0.001 . 1 . . . . . 370 LEU H . 53380 1 785 . 1 . 1 187 187 LEU C C 13 177.346 0.000 . 1 . . . . . 370 LEU C . 53380 1 786 . 1 . 1 187 187 LEU CA C 13 55.054 0.005 . 1 . . . . . 370 LEU CA . 53380 1 787 . 1 . 1 187 187 LEU CB C 13 42.609 0.000 . 1 . . . . . 370 LEU CB . 53380 1 788 . 1 . 1 187 187 LEU N N 15 120.926 0.015 . 1 . . . . . 370 LEU N . 53380 1 789 . 1 . 1 188 188 SER H H 1 8.150 0.002 . 1 . . . . . 371 SER H . 53380 1 790 . 1 . 1 188 188 SER C C 13 174.903 0.000 . 1 . . . . . 371 SER C . 53380 1 791 . 1 . 1 188 188 SER CA C 13 58.307 0.072 . 1 . . . . . 371 SER CA . 53380 1 792 . 1 . 1 188 188 SER CB C 13 63.901 0.044 . 1 . . . . . 371 SER CB . 53380 1 793 . 1 . 1 188 188 SER N N 15 116.178 0.001 . 1 . . . . . 371 SER N . 53380 1 794 . 1 . 1 189 189 THR H H 1 8.067 0.001 . 1 . . . . . 372 THR H . 53380 1 795 . 1 . 1 189 189 THR C C 13 174.591 0.000 . 1 . . . . . 372 THR C . 53380 1 796 . 1 . 1 189 189 THR CA C 13 62.188 0.000 . 1 . . . . . 372 THR CA . 53380 1 797 . 1 . 1 189 189 THR CB C 13 69.596 0.004 . 1 . . . . . 372 THR CB . 53380 1 798 . 1 . 1 189 189 THR N N 15 115.091 0.016 . 1 . . . . . 372 THR N . 53380 1 799 . 1 . 1 190 190 ASP H H 1 8.166 0.001 . 1 . . . . . 373 ASP H . 53380 1 800 . 1 . 1 190 190 ASP C C 13 176.138 0.000 . 1 . . . . . 373 ASP C . 53380 1 801 . 1 . 1 190 190 ASP CA C 13 54.470 0.016 . 1 . . . . . 373 ASP CA . 53380 1 802 . 1 . 1 190 190 ASP CB C 13 40.939 0.014 . 1 . . . . . 373 ASP CB . 53380 1 803 . 1 . 1 190 190 ASP N N 15 122.147 0.032 . 1 . . . . . 373 ASP N . 53380 1 804 . 1 . 1 191 191 TRP H H 1 7.883 0.003 . 1 . . . . . 374 TRP H . 53380 1 805 . 1 . 1 191 191 TRP C C 13 176.306 0.000 . 1 . . . . . 374 TRP C . 53380 1 806 . 1 . 1 191 191 TRP CA C 13 57.826 0.025 . 1 . . . . . 374 TRP CA . 53380 1 807 . 1 . 1 191 191 TRP CB C 13 29.470 0.004 . 1 . . . . . 374 TRP CB . 53380 1 808 . 1 . 1 191 191 TRP N N 15 121.078 0.005 . 1 . . . . . 374 TRP N . 53380 1 809 . 1 . 1 192 192 GLU H H 1 7.965 0.001 . 1 . . . . . 375 GLU H . 53380 1 810 . 1 . 1 192 192 GLU C C 13 176.010 0.000 . 1 . . . . . 375 GLU C . 53380 1 811 . 1 . 1 192 192 GLU CA C 13 56.902 0.003 . 1 . . . . . 375 GLU CA . 53380 1 812 . 1 . 1 192 192 GLU CB C 13 30.448 0.009 . 1 . . . . . 375 GLU CB . 53380 1 813 . 1 . 1 192 192 GLU N N 15 121.775 0.008 . 1 . . . . . 375 GLU N . 53380 1 814 . 1 . 1 193 193 ASP H H 1 8.035 0.001 . 1 . . . . . 376 ASP H . 53380 1 815 . 1 . 1 193 193 ASP C C 13 177.074 0.000 . 1 . . . . . 376 ASP C . 53380 1 816 . 1 . 1 193 193 ASP CA C 13 54.411 0.006 . 1 . . . . . 376 ASP CA . 53380 1 817 . 1 . 1 193 193 ASP CB C 13 41.136 0.026 . 1 . . . . . 376 ASP CB . 53380 1 818 . 1 . 1 193 193 ASP N N 15 120.912 0.012 . 1 . . . . . 376 ASP N . 53380 1 819 . 1 . 1 194 194 VAL H H 1 7.989 0.001 . 1 . . . . . 377 VAL H . 53380 1 820 . 1 . 1 194 194 VAL C C 13 177.004 0.000 . 1 . . . . . 377 VAL C . 53380 1 821 . 1 . 1 194 194 VAL CA C 13 63.035 0.009 . 1 . . . . . 377 VAL CA . 53380 1 822 . 1 . 1 194 194 VAL CB C 13 32.196 0.050 . 1 . . . . . 377 VAL CB . 53380 1 823 . 1 . 1 194 194 VAL N N 15 120.174 0.006 . 1 . . . . . 377 VAL N . 53380 1 824 . 1 . 1 195 195 SER H H 1 8.269 0.002 . 1 . . . . . 378 SER H . 53380 1 825 . 1 . 1 195 195 SER C C 13 175.242 0.000 . 1 . . . . . 378 SER C . 53380 1 826 . 1 . 1 195 195 SER CA C 13 59.317 0.006 . 1 . . . . . 378 SER CA . 53380 1 827 . 1 . 1 195 195 SER CB C 13 63.636 0.065 . 1 . . . . . 378 SER CB . 53380 1 828 . 1 . 1 195 195 SER N N 15 117.832 0.029 . 1 . . . . . 378 SER N . 53380 1 829 . 1 . 1 196 196 LYS H H 1 7.957 0.002 . 1 . . . . . 379 LYS H . 53380 1 830 . 1 . 1 196 196 LYS C C 13 177.147 0.000 . 1 . . . . . 379 LYS C . 53380 1 831 . 1 . 1 196 196 LYS CA C 13 56.772 0.063 . 1 . . . . . 379 LYS CA . 53380 1 832 . 1 . 1 196 196 LYS CB C 13 32.730 0.025 . 1 . . . . . 379 LYS CB . 53380 1 833 . 1 . 1 196 196 LYS N N 15 122.261 0.016 . 1 . . . . . 379 LYS N . 53380 1 834 . 1 . 1 197 197 GLY H H 1 8.149 0.002 . 1 . . . . . 380 GLY H . 53380 1 835 . 1 . 1 197 197 GLY C C 13 174.290 0.000 . 1 . . . . . 380 GLY C . 53380 1 836 . 1 . 1 197 197 GLY CA C 13 45.438 0.017 . 1 . . . . . 380 GLY CA . 53380 1 837 . 1 . 1 197 197 GLY N N 15 108.794 0.021 . 1 . . . . . 380 GLY N . 53380 1 838 . 1 . 1 198 198 THR H H 1 7.928 0.001 . 1 . . . . . 381 THR H . 53380 1 839 . 1 . 1 198 198 THR C C 13 174.466 0.000 . 1 . . . . . 381 THR C . 53380 1 840 . 1 . 1 198 198 THR CA C 13 61.980 0.070 . 1 . . . . . 381 THR CA . 53380 1 841 . 1 . 1 198 198 THR CB C 13 69.936 0.015 . 1 . . . . . 381 THR CB . 53380 1 842 . 1 . 1 198 198 THR N N 15 113.852 0.003 . 1 . . . . . 381 THR N . 53380 1 843 . 1 . 1 199 199 VAL H H 1 8.103 0.001 . 1 . . . . . 382 VAL H . 53380 1 844 . 1 . 1 199 199 VAL C C 13 175.993 0.000 . 1 . . . . . 382 VAL C . 53380 1 845 . 1 . 1 199 199 VAL CA C 13 62.355 0.064 . 1 . . . . . 382 VAL CA . 53380 1 846 . 1 . 1 199 199 VAL CB C 13 32.788 0.006 . 1 . . . . . 382 VAL CB . 53380 1 847 . 1 . 1 199 199 VAL N N 15 122.988 0.019 . 1 . . . . . 382 VAL N . 53380 1 848 . 1 . 1 200 200 LYS H H 1 8.412 0.001 . 1 . . . . . 383 LYS H . 53380 1 849 . 1 . 1 200 200 LYS C C 13 176.547 0.000 . 1 . . . . . 383 LYS C . 53380 1 850 . 1 . 1 200 200 LYS CA C 13 56.173 0.003 . 1 . . . . . 383 LYS CA . 53380 1 851 . 1 . 1 200 200 LYS CB C 13 33.095 0.039 . 1 . . . . . 383 LYS CB . 53380 1 852 . 1 . 1 200 200 LYS N N 15 125.930 0.015 . 1 . . . . . 383 LYS N . 53380 1 853 . 1 . 1 201 201 THR H H 1 8.123 0.001 . 1 . . . . . 384 THR H . 53380 1 854 . 1 . 1 201 201 THR C C 13 174.337 0.000 . 1 . . . . . 384 THR C . 53380 1 855 . 1 . 1 201 201 THR CA C 13 61.549 0.004 . 1 . . . . . 384 THR CA . 53380 1 856 . 1 . 1 201 201 THR CB C 13 70.014 0.001 . 1 . . . . . 384 THR CB . 53380 1 857 . 1 . 1 201 201 THR N N 15 115.807 0.021 . 1 . . . . . 384 THR N . 53380 1 858 . 1 . 1 202 202 SER H H 1 8.284 0.004 . 1 . . . . . 385 SER H . 53380 1 859 . 1 . 1 202 202 SER C C 13 171.932 0.000 . 1 . . . . . 385 SER C . 53380 1 860 . 1 . 1 202 202 SER CA C 13 56.695 0.000 . 1 . . . . . 385 SER CA . 53380 1 861 . 1 . 1 202 202 SER CB C 13 63.257 0.000 . 1 . . . . . 385 SER CB . 53380 1 862 . 1 . 1 202 202 SER N N 15 119.764 0.018 . 1 . . . . . 385 SER N . 53380 1 863 . 1 . 1 204 204 PRO C C 13 176.948 0.000 . 1 . . . . . 387 PRO C . 53380 1 864 . 1 . 1 204 204 PRO CA C 13 63.232 0.000 . 1 . . . . . 387 PRO CA . 53380 1 865 . 1 . 1 204 204 PRO CB C 13 31.993 0.000 . 1 . . . . . 387 PRO CB . 53380 1 866 . 1 . 1 205 205 GLU H H 1 8.501 0.001 . 1 . . . . . 388 GLU H . 53380 1 867 . 1 . 1 205 205 GLU C C 13 177.107 0.000 . 1 . . . . . 388 GLU C . 53380 1 868 . 1 . 1 205 205 GLU CA C 13 57.008 0.074 . 1 . . . . . 388 GLU CA . 53380 1 869 . 1 . 1 205 205 GLU CB C 13 30.226 0.009 . 1 . . . . . 388 GLU CB . 53380 1 870 . 1 . 1 205 205 GLU N N 15 120.830 0.004 . 1 . . . . . 388 GLU N . 53380 1 871 . 1 . 1 206 206 GLY H H 1 8.390 0.001 . 1 . . . . . 389 GLY H . 53380 1 872 . 1 . 1 206 206 GLY C C 13 174.047 0.000 . 1 . . . . . 389 GLY C . 53380 1 873 . 1 . 1 206 206 GLY CA C 13 45.355 0.009 . 1 . . . . . 389 GLY CA . 53380 1 874 . 1 . 1 206 206 GLY N N 15 110.058 0.010 . 1 . . . . . 389 GLY N . 53380 1 875 . 1 . 1 207 207 MET H H 1 8.048 0.001 . 1 . . . . . 390 MET H . 53380 1 876 . 1 . 1 207 207 MET C C 13 175.934 0.000 . 1 . . . . . 390 MET C . 53380 1 877 . 1 . 1 207 207 MET CA C 13 55.167 0.025 . 1 . . . . . 390 MET CA . 53380 1 878 . 1 . 1 207 207 MET CB C 13 33.110 0.030 . 1 . . . . . 390 MET CB . 53380 1 879 . 1 . 1 207 207 MET N N 15 119.300 0.008 . 1 . . . . . 390 MET N . 53380 1 880 . 1 . 1 208 208 GLU H H 1 8.382 0.001 . 1 . . . . . 391 GLU H . 53380 1 881 . 1 . 1 208 208 GLU C C 13 174.352 0.000 . 1 . . . . . 391 GLU C . 53380 1 882 . 1 . 1 208 208 GLU CA C 13 54.642 0.000 . 1 . . . . . 391 GLU CA . 53380 1 883 . 1 . 1 208 208 GLU CB C 13 29.638 0.000 . 1 . . . . . 391 GLU CB . 53380 1 884 . 1 . 1 208 208 GLU N N 15 123.616 0.007 . 1 . . . . . 391 GLU N . 53380 1 885 . 1 . 1 209 209 PRO C C 13 176.541 0.000 . 1 . . . . . 392 PRO C . 53380 1 886 . 1 . 1 209 209 PRO CA C 13 63.026 0.000 . 1 . . . . . 392 PRO CA . 53380 1 887 . 1 . 1 209 209 PRO CB C 13 32.130 0.000 . 1 . . . . . 392 PRO CB . 53380 1 888 . 1 . 1 210 210 LYS H H 1 8.198 0.002 . 1 . . . . . 393 LYS H . 53380 1 889 . 1 . 1 210 210 LYS C C 13 176.046 0.000 . 1 . . . . . 393 LYS C . 53380 1 890 . 1 . 1 210 210 LYS CA C 13 56.052 0.000 . 1 . . . . . 393 LYS CA . 53380 1 891 . 1 . 1 210 210 LYS CB C 13 32.980 0.037 . 1 . . . . . 393 LYS CB . 53380 1 892 . 1 . 1 210 210 LYS N N 15 121.109 0.038 . 1 . . . . . 393 LYS N . 53380 1 893 . 1 . 1 211 211 HIS H H 1 8.029 0.002 . 1 . . . . . 394 HIS H . 53380 1 894 . 1 . 1 211 211 HIS C C 13 173.446 0.000 . 1 . . . . . 394 HIS C . 53380 1 895 . 1 . 1 211 211 HIS CA C 13 55.308 0.056 . 1 . . . . . 394 HIS CA . 53380 1 896 . 1 . 1 211 211 HIS CB C 13 30.100 0.008 . 1 . . . . . 394 HIS CB . 53380 1 897 . 1 . 1 211 211 HIS N N 15 120.079 0.018 . 1 . . . . . 394 HIS N . 53380 1 898 . 1 . 1 212 212 TRP H H 1 7.651 0.001 . 1 . . . . . 395 TRP H . 53380 1 899 . 1 . 1 212 212 TRP C C 13 180.786 0.000 . 1 . . . . . 395 TRP C . 53380 1 900 . 1 . 1 212 212 TRP CA C 13 58.766 0.000 . 1 . . . . . 395 TRP CA . 53380 1 901 . 1 . 1 212 212 TRP CB C 13 30.071 0.000 . 1 . . . . . 395 TRP CB . 53380 1 902 . 1 . 1 212 212 TRP N N 15 127.501 0.013 . 1 . . . . . 395 TRP N . 53380 1 stop_ save_