data_51080 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51080 _Entry.Title ; Assignment of 1H, 13C, 15N backbone chemical shifts of SERBP1 149-400 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-08 _Entry.Accession_date 2021-09-08 _Entry.Last_release_date 2021-09-08 _Entry.Original_release_date 2021-09-08 _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 1 _Entry.Generated_software_label $software_1 _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 Antoine Baudin . . . 0000-0002-1390-1196 51080 2 Alma Moreno-Romero K. . . . 51080 3 Xiaoping Xu . . . . 51080 4 Emily Selig . E. . 0000-0002-3012-6814 51080 5 Luiz Penalva . O. . . 51080 6 David Libich . S. . 0000-0001-6492-2803 51080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 619 51080 '15N chemical shifts' 179 51080 '1H chemical shifts' 179 51080 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-01-29 2021-09-08 update BMRB 'update entry citation' 51080 1 . . 2021-09-09 2021-09-08 original author 'original release' 51080 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51080 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34631798 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Characterization of the RNA-Binding Protein SERBP1 Reveals Intrinsic Disorder and Atypical RNA Binding Modes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 744707 _Citation.Page_last 744707 _Citation.Year 2021 _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 Antoine Baudin A. . . . 51080 1 2 Alma Moreno-Romero A. K. . . 51080 1 3 Xiaoping Xu X. . . . 51080 1 4 Emily Selig E. E. . . 51080 1 5 Luiz Penalva . . . . 51080 1 6 David Libich D. S. . . 51080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51080 _Assembly.ID 1 _Assembly.Name SERBP1 _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 SERBP1 1 $entity_1 . . yes native no no . . . 51080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51080 _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 ; GEFSVDRPIIDRPIRGRGGL GRGRGGRGRGMGRGDGFDSR GKREFDRHSGSDRSSFSHYS GLKHEDKRGGSGSHNWGTVK DELTESPKYIQKQISYNYSD LDQSNVTEETPEGEEHHPVA DTENKENEVEEVKEEGPKEM TLDEWKAIQNKDRAKVEFNI RKPNEGADGQWKKGFVLHKS KSEEAHAEDSVMDHHFRKPA NDITSQLEINFGDLGRPGRG GRGGRGGRGRGGRPNRGSRT DKSSASAPDVDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 149-400 _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 252 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'SERBP1 149-400' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 149 GLY . 51080 1 2 150 GLU . 51080 1 3 151 PHE . 51080 1 4 152 SER . 51080 1 5 153 VAL . 51080 1 6 154 ASP . 51080 1 7 155 ARG . 51080 1 8 156 PRO . 51080 1 9 157 ILE . 51080 1 10 158 ILE . 51080 1 11 159 ASP . 51080 1 12 160 ARG . 51080 1 13 161 PRO . 51080 1 14 162 ILE . 51080 1 15 163 ARG . 51080 1 16 164 GLY . 51080 1 17 165 ARG . 51080 1 18 166 GLY . 51080 1 19 167 GLY . 51080 1 20 168 LEU . 51080 1 21 169 GLY . 51080 1 22 170 ARG . 51080 1 23 171 GLY . 51080 1 24 172 ARG . 51080 1 25 173 GLY . 51080 1 26 174 GLY . 51080 1 27 175 ARG . 51080 1 28 176 GLY . 51080 1 29 177 ARG . 51080 1 30 178 GLY . 51080 1 31 179 MET . 51080 1 32 180 GLY . 51080 1 33 181 ARG . 51080 1 34 182 GLY . 51080 1 35 183 ASP . 51080 1 36 184 GLY . 51080 1 37 185 PHE . 51080 1 38 186 ASP . 51080 1 39 187 SER . 51080 1 40 188 ARG . 51080 1 41 189 GLY . 51080 1 42 190 LYS . 51080 1 43 191 ARG . 51080 1 44 192 GLU . 51080 1 45 193 PHE . 51080 1 46 194 ASP . 51080 1 47 195 ARG . 51080 1 48 196 HIS . 51080 1 49 197 SER . 51080 1 50 198 GLY . 51080 1 51 199 SER . 51080 1 52 200 ASP . 51080 1 53 201 ARG . 51080 1 54 202 SER . 51080 1 55 203 SER . 51080 1 56 204 PHE . 51080 1 57 205 SER . 51080 1 58 206 HIS . 51080 1 59 207 TYR . 51080 1 60 208 SER . 51080 1 61 209 GLY . 51080 1 62 210 LEU . 51080 1 63 211 LYS . 51080 1 64 212 HIS . 51080 1 65 213 GLU . 51080 1 66 214 ASP . 51080 1 67 215 LYS . 51080 1 68 216 ARG . 51080 1 69 217 GLY . 51080 1 70 218 GLY . 51080 1 71 219 SER . 51080 1 72 220 GLY . 51080 1 73 221 SER . 51080 1 74 222 HIS . 51080 1 75 223 ASN . 51080 1 76 224 TRP . 51080 1 77 225 GLY . 51080 1 78 226 THR . 51080 1 79 227 VAL . 51080 1 80 228 LYS . 51080 1 81 229 ASP . 51080 1 82 230 GLU . 51080 1 83 231 LEU . 51080 1 84 232 THR . 51080 1 85 233 GLU . 51080 1 86 234 SER . 51080 1 87 235 PRO . 51080 1 88 236 LYS . 51080 1 89 237 TYR . 51080 1 90 238 ILE . 51080 1 91 239 GLN . 51080 1 92 240 LYS . 51080 1 93 241 GLN . 51080 1 94 242 ILE . 51080 1 95 243 SER . 51080 1 96 244 TYR . 51080 1 97 245 ASN . 51080 1 98 246 TYR . 51080 1 99 247 SER . 51080 1 100 248 ASP . 51080 1 101 249 LEU . 51080 1 102 250 ASP . 51080 1 103 251 GLN . 51080 1 104 252 SER . 51080 1 105 253 ASN . 51080 1 106 254 VAL . 51080 1 107 255 THR . 51080 1 108 256 GLU . 51080 1 109 257 GLU . 51080 1 110 258 THR . 51080 1 111 259 PRO . 51080 1 112 260 GLU . 51080 1 113 261 GLY . 51080 1 114 262 GLU . 51080 1 115 263 GLU . 51080 1 116 264 HIS . 51080 1 117 265 HIS . 51080 1 118 266 PRO . 51080 1 119 267 VAL . 51080 1 120 268 ALA . 51080 1 121 269 ASP . 51080 1 122 270 THR . 51080 1 123 271 GLU . 51080 1 124 272 ASN . 51080 1 125 273 LYS . 51080 1 126 274 GLU . 51080 1 127 275 ASN . 51080 1 128 276 GLU . 51080 1 129 277 VAL . 51080 1 130 278 GLU . 51080 1 131 279 GLU . 51080 1 132 280 VAL . 51080 1 133 281 LYS . 51080 1 134 282 GLU . 51080 1 135 283 GLU . 51080 1 136 284 GLY . 51080 1 137 285 PRO . 51080 1 138 286 LYS . 51080 1 139 287 GLU . 51080 1 140 288 MET . 51080 1 141 289 THR . 51080 1 142 290 LEU . 51080 1 143 291 ASP . 51080 1 144 292 GLU . 51080 1 145 293 TRP . 51080 1 146 294 LYS . 51080 1 147 295 ALA . 51080 1 148 296 ILE . 51080 1 149 297 GLN . 51080 1 150 298 ASN . 51080 1 151 299 LYS . 51080 1 152 300 ASP . 51080 1 153 301 ARG . 51080 1 154 302 ALA . 51080 1 155 303 LYS . 51080 1 156 304 VAL . 51080 1 157 305 GLU . 51080 1 158 306 PHE . 51080 1 159 307 ASN . 51080 1 160 308 ILE . 51080 1 161 309 ARG . 51080 1 162 310 LYS . 51080 1 163 311 PRO . 51080 1 164 312 ASN . 51080 1 165 313 GLU . 51080 1 166 314 GLY . 51080 1 167 315 ALA . 51080 1 168 316 ASP . 51080 1 169 317 GLY . 51080 1 170 318 GLN . 51080 1 171 319 TRP . 51080 1 172 320 LYS . 51080 1 173 321 LYS . 51080 1 174 322 GLY . 51080 1 175 323 PHE . 51080 1 176 324 VAL . 51080 1 177 325 LEU . 51080 1 178 326 HIS . 51080 1 179 327 LYS . 51080 1 180 328 SER . 51080 1 181 329 LYS . 51080 1 182 330 SER . 51080 1 183 331 GLU . 51080 1 184 332 GLU . 51080 1 185 333 ALA . 51080 1 186 334 HIS . 51080 1 187 335 ALA . 51080 1 188 336 GLU . 51080 1 189 337 ASP . 51080 1 190 338 SER . 51080 1 191 339 VAL . 51080 1 192 340 MET . 51080 1 193 341 ASP . 51080 1 194 342 HIS . 51080 1 195 343 HIS . 51080 1 196 344 PHE . 51080 1 197 345 ARG . 51080 1 198 346 LYS . 51080 1 199 347 PRO . 51080 1 200 348 ALA . 51080 1 201 349 ASN . 51080 1 202 350 ASP . 51080 1 203 351 ILE . 51080 1 204 352 THR . 51080 1 205 353 SER . 51080 1 206 354 GLN . 51080 1 207 355 LEU . 51080 1 208 356 GLU . 51080 1 209 357 ILE . 51080 1 210 358 ASN . 51080 1 211 359 PHE . 51080 1 212 360 GLY . 51080 1 213 361 ASP . 51080 1 214 362 LEU . 51080 1 215 363 GLY . 51080 1 216 364 ARG . 51080 1 217 365 PRO . 51080 1 218 366 GLY . 51080 1 219 367 ARG . 51080 1 220 368 GLY . 51080 1 221 369 GLY . 51080 1 222 370 ARG . 51080 1 223 371 GLY . 51080 1 224 372 GLY . 51080 1 225 373 ARG . 51080 1 226 374 GLY . 51080 1 227 375 GLY . 51080 1 228 376 ARG . 51080 1 229 377 GLY . 51080 1 230 378 ARG . 51080 1 231 379 GLY . 51080 1 232 380 GLY . 51080 1 233 381 ARG . 51080 1 234 382 PRO . 51080 1 235 383 ASN . 51080 1 236 384 ARG . 51080 1 237 385 GLY . 51080 1 238 386 SER . 51080 1 239 387 ARG . 51080 1 240 388 THR . 51080 1 241 389 ASP . 51080 1 242 390 LYS . 51080 1 243 391 SER . 51080 1 244 392 SER . 51080 1 245 393 ALA . 51080 1 246 394 SER . 51080 1 247 395 ALA . 51080 1 248 396 PRO . 51080 1 249 397 ASP . 51080 1 250 398 VAL . 51080 1 251 399 ASP . 51080 1 252 400 ASP . 51080 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 . GLY 1 1 51080 1 . GLU 2 2 51080 1 . PHE 3 3 51080 1 . SER 4 4 51080 1 . VAL 5 5 51080 1 . ASP 6 6 51080 1 . ARG 7 7 51080 1 . PRO 8 8 51080 1 . ILE 9 9 51080 1 . ILE 10 10 51080 1 . ASP 11 11 51080 1 . ARG 12 12 51080 1 . PRO 13 13 51080 1 . ILE 14 14 51080 1 . ARG 15 15 51080 1 . GLY 16 16 51080 1 . ARG 17 17 51080 1 . GLY 18 18 51080 1 . GLY 19 19 51080 1 . LEU 20 20 51080 1 . GLY 21 21 51080 1 . ARG 22 22 51080 1 . GLY 23 23 51080 1 . ARG 24 24 51080 1 . GLY 25 25 51080 1 . GLY 26 26 51080 1 . ARG 27 27 51080 1 . GLY 28 28 51080 1 . ARG 29 29 51080 1 . GLY 30 30 51080 1 . MET 31 31 51080 1 . GLY 32 32 51080 1 . ARG 33 33 51080 1 . GLY 34 34 51080 1 . ASP 35 35 51080 1 . GLY 36 36 51080 1 . PHE 37 37 51080 1 . ASP 38 38 51080 1 . SER 39 39 51080 1 . ARG 40 40 51080 1 . GLY 41 41 51080 1 . LYS 42 42 51080 1 . ARG 43 43 51080 1 . GLU 44 44 51080 1 . PHE 45 45 51080 1 . ASP 46 46 51080 1 . ARG 47 47 51080 1 . HIS 48 48 51080 1 . SER 49 49 51080 1 . GLY 50 50 51080 1 . SER 51 51 51080 1 . ASP 52 52 51080 1 . ARG 53 53 51080 1 . SER 54 54 51080 1 . SER 55 55 51080 1 . PHE 56 56 51080 1 . SER 57 57 51080 1 . HIS 58 58 51080 1 . TYR 59 59 51080 1 . SER 60 60 51080 1 . GLY 61 61 51080 1 . LEU 62 62 51080 1 . LYS 63 63 51080 1 . HIS 64 64 51080 1 . GLU 65 65 51080 1 . ASP 66 66 51080 1 . LYS 67 67 51080 1 . ARG 68 68 51080 1 . GLY 69 69 51080 1 . GLY 70 70 51080 1 . SER 71 71 51080 1 . GLY 72 72 51080 1 . SER 73 73 51080 1 . HIS 74 74 51080 1 . ASN 75 75 51080 1 . TRP 76 76 51080 1 . GLY 77 77 51080 1 . THR 78 78 51080 1 . VAL 79 79 51080 1 . LYS 80 80 51080 1 . ASP 81 81 51080 1 . GLU 82 82 51080 1 . LEU 83 83 51080 1 . THR 84 84 51080 1 . GLU 85 85 51080 1 . SER 86 86 51080 1 . PRO 87 87 51080 1 . LYS 88 88 51080 1 . TYR 89 89 51080 1 . ILE 90 90 51080 1 . GLN 91 91 51080 1 . LYS 92 92 51080 1 . GLN 93 93 51080 1 . ILE 94 94 51080 1 . SER 95 95 51080 1 . TYR 96 96 51080 1 . ASN 97 97 51080 1 . TYR 98 98 51080 1 . SER 99 99 51080 1 . ASP 100 100 51080 1 . LEU 101 101 51080 1 . ASP 102 102 51080 1 . GLN 103 103 51080 1 . SER 104 104 51080 1 . ASN 105 105 51080 1 . VAL 106 106 51080 1 . THR 107 107 51080 1 . GLU 108 108 51080 1 . GLU 109 109 51080 1 . THR 110 110 51080 1 . PRO 111 111 51080 1 . GLU 112 112 51080 1 . GLY 113 113 51080 1 . GLU 114 114 51080 1 . GLU 115 115 51080 1 . HIS 116 116 51080 1 . HIS 117 117 51080 1 . PRO 118 118 51080 1 . VAL 119 119 51080 1 . ALA 120 120 51080 1 . ASP 121 121 51080 1 . THR 122 122 51080 1 . GLU 123 123 51080 1 . ASN 124 124 51080 1 . LYS 125 125 51080 1 . GLU 126 126 51080 1 . ASN 127 127 51080 1 . GLU 128 128 51080 1 . VAL 129 129 51080 1 . GLU 130 130 51080 1 . GLU 131 131 51080 1 . VAL 132 132 51080 1 . LYS 133 133 51080 1 . GLU 134 134 51080 1 . GLU 135 135 51080 1 . GLY 136 136 51080 1 . PRO 137 137 51080 1 . LYS 138 138 51080 1 . GLU 139 139 51080 1 . MET 140 140 51080 1 . THR 141 141 51080 1 . LEU 142 142 51080 1 . ASP 143 143 51080 1 . GLU 144 144 51080 1 . TRP 145 145 51080 1 . LYS 146 146 51080 1 . ALA 147 147 51080 1 . ILE 148 148 51080 1 . GLN 149 149 51080 1 . ASN 150 150 51080 1 . LYS 151 151 51080 1 . ASP 152 152 51080 1 . ARG 153 153 51080 1 . ALA 154 154 51080 1 . LYS 155 155 51080 1 . VAL 156 156 51080 1 . GLU 157 157 51080 1 . PHE 158 158 51080 1 . ASN 159 159 51080 1 . ILE 160 160 51080 1 . ARG 161 161 51080 1 . LYS 162 162 51080 1 . PRO 163 163 51080 1 . ASN 164 164 51080 1 . GLU 165 165 51080 1 . GLY 166 166 51080 1 . ALA 167 167 51080 1 . ASP 168 168 51080 1 . GLY 169 169 51080 1 . GLN 170 170 51080 1 . TRP 171 171 51080 1 . LYS 172 172 51080 1 . LYS 173 173 51080 1 . GLY 174 174 51080 1 . PHE 175 175 51080 1 . VAL 176 176 51080 1 . LEU 177 177 51080 1 . HIS 178 178 51080 1 . LYS 179 179 51080 1 . SER 180 180 51080 1 . LYS 181 181 51080 1 . SER 182 182 51080 1 . GLU 183 183 51080 1 . GLU 184 184 51080 1 . ALA 185 185 51080 1 . HIS 186 186 51080 1 . ALA 187 187 51080 1 . GLU 188 188 51080 1 . ASP 189 189 51080 1 . SER 190 190 51080 1 . VAL 191 191 51080 1 . MET 192 192 51080 1 . ASP 193 193 51080 1 . HIS 194 194 51080 1 . HIS 195 195 51080 1 . PHE 196 196 51080 1 . ARG 197 197 51080 1 . LYS 198 198 51080 1 . PRO 199 199 51080 1 . ALA 200 200 51080 1 . ASN 201 201 51080 1 . ASP 202 202 51080 1 . ILE 203 203 51080 1 . THR 204 204 51080 1 . SER 205 205 51080 1 . GLN 206 206 51080 1 . LEU 207 207 51080 1 . GLU 208 208 51080 1 . ILE 209 209 51080 1 . ASN 210 210 51080 1 . PHE 211 211 51080 1 . GLY 212 212 51080 1 . ASP 213 213 51080 1 . LEU 214 214 51080 1 . GLY 215 215 51080 1 . ARG 216 216 51080 1 . PRO 217 217 51080 1 . GLY 218 218 51080 1 . ARG 219 219 51080 1 . GLY 220 220 51080 1 . GLY 221 221 51080 1 . ARG 222 222 51080 1 . GLY 223 223 51080 1 . GLY 224 224 51080 1 . ARG 225 225 51080 1 . GLY 226 226 51080 1 . GLY 227 227 51080 1 . ARG 228 228 51080 1 . GLY 229 229 51080 1 . ARG 230 230 51080 1 . GLY 231 231 51080 1 . GLY 232 232 51080 1 . ARG 233 233 51080 1 . PRO 234 234 51080 1 . ASN 235 235 51080 1 . ARG 236 236 51080 1 . GLY 237 237 51080 1 . SER 238 238 51080 1 . ARG 239 239 51080 1 . THR 240 240 51080 1 . ASP 241 241 51080 1 . LYS 242 242 51080 1 . SER 243 243 51080 1 . SER 244 244 51080 1 . ALA 245 245 51080 1 . SER 246 246 51080 1 . ALA 247 247 51080 1 . PRO 248 248 51080 1 . ASP 249 249 51080 1 . VAL 250 250 51080 1 . ASP 251 251 51080 1 . ASP 252 252 51080 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 51080 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51080 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 51080 _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 'BL21 (DE3)' . . plasmid . . pAG8HA . . . 51080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51080 _Sample.ID 1 _Sample.Name SERBP1 _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 SERBP1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 51080 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 51080 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SERBP1 149-400' _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' 60 . mM 51080 1 pH 6.9 . pH 51080 1 pressure 1 . atm 51080 1 temperature 298 . K 51080 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51080 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51080 1 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 51080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance NEO' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51080 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51080 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51080 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51080 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51080 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51080 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51080 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 51080 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name SERBP1 _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 water protons . . . . ppm 4.809 internal indirect 0.25 . . . . . 51080 1 H 1 water protons . . . . ppm 4.809 internal direct 1 . . . . . 51080 1 N 15 water protons . . . . ppm 4.809 internal indirect 0.1 . . . . . 51080 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 51080 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SERBP1 149-400' _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' . . . 51080 1 2 '3D HNCACB' . . . 51080 1 3 '3D CBCACONH' . . . 51080 1 4 '3D HNCO' . . . 51080 1 5 '3D HNCACO' . . . 51080 1 6 '3D H(CCO)NH' . . . 51080 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 . . 51080 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 GLY H H 1 8.57 0.006 . 1 . . 8 . . 149 GLY H . 51080 1 2 . 1 . 1 1 1 GLY CA C 13 45.336 . . 1 . . 1118 . . 149 GLY CA . 51080 1 3 . 1 . 1 1 1 GLY N N 15 108.742 0.011 . 1 . . 9 . . 149 GLY N . 51080 1 4 . 1 . 1 2 2 GLU C C 13 176.194 . . 1 . . 228 . . 150 GLU C . 51080 1 5 . 1 . 1 2 2 GLU CA C 13 56.668 . . 1 . . 981 . . 150 GLU CA . 51080 1 6 . 1 . 1 2 2 GLU CB C 13 30.284 0.005 . 1 . . 980 . . 150 GLU CB . 51080 1 7 . 1 . 1 2 2 GLU CG C 13 36.085 . . 1 . . 1175 . . 150 GLU CG . 51080 1 8 . 1 . 1 3 3 PHE H H 1 8.281 0.001 . 1 . . 226 . . 151 PHE H . 51080 1 9 . 1 . 1 3 3 PHE C C 13 175.611 0.015 . 1 . . 1173 . . 151 PHE C . 51080 1 10 . 1 . 1 3 3 PHE CA C 13 57.433 0.019 . 1 . . 1035 . . 151 PHE CA . 51080 1 11 . 1 . 1 3 3 PHE CB C 13 39.596 . . 1 . . 979 . . 151 PHE CB . 51080 1 12 . 1 . 1 3 3 PHE N N 15 120.564 0.014 . 1 . . 227 . . 151 PHE N . 51080 1 13 . 1 . 1 4 4 SER H H 1 8.168 0.002 . 1 . . 136 . . 152 SER H . 51080 1 14 . 1 . 1 4 4 SER C C 13 174.421 0.008 . 1 . . 618 . . 152 SER C . 51080 1 15 . 1 . 1 4 4 SER CA C 13 58.095 0.035 . 1 . . 935 . . 152 SER CA . 51080 1 16 . 1 . 1 4 4 SER CB C 13 63.942 0.018 . 1 . . 1036 . . 152 SER CB . 51080 1 17 . 1 . 1 4 4 SER N N 15 117.598 0.01 . 1 . . 137 . . 152 SER N . 51080 1 18 . 1 . 1 5 5 VAL H H 1 8.166 0.001 . 1 . . 313 . . 153 VAL H . 51080 1 19 . 1 . 1 5 5 VAL C C 13 175.733 . . 1 . . 508 . . 153 VAL C . 51080 1 20 . 1 . 1 5 5 VAL CA C 13 62.185 0.025 . 1 . . 765 . . 153 VAL CA . 51080 1 21 . 1 . 1 5 5 VAL CB C 13 32.775 0.036 . 1 . . 766 . . 153 VAL CB . 51080 1 22 . 1 . 1 5 5 VAL N N 15 121.096 0.008 . 1 . . 314 . . 153 VAL N . 51080 1 23 . 1 . 1 6 6 ASP H H 1 8.331 0.002 . 1 . . 506 . . 154 ASP H . 51080 1 24 . 1 . 1 6 6 ASP C C 13 175.664 0.025 . 1 . . 670 . . 154 ASP C . 51080 1 25 . 1 . 1 6 6 ASP CA C 13 54.323 0.016 . 1 . . 764 . . 154 ASP CA . 51080 1 26 . 1 . 1 6 6 ASP CB C 13 41.201 0.003 . 1 . . 799 . . 154 ASP CB . 51080 1 27 . 1 . 1 6 6 ASP N N 15 123.095 0.008 . 1 . . 507 . . 154 ASP N . 51080 1 28 . 1 . 1 7 7 ARG H H 1 8.074 0.001 . 1 . . 281 . . 155 ARG H . 51080 1 29 . 1 . 1 7 7 ARG C C 13 173.834 . . 1 . . 643 . . 155 ARG C . 51080 1 30 . 1 . 1 7 7 ARG CA C 13 53.78 . . 1 . . 800 . . 155 ARG CA . 51080 1 31 . 1 . 1 7 7 ARG CB C 13 30.328 . . 1 . . 798 . . 155 ARG CB . 51080 1 32 . 1 . 1 7 7 ARG N N 15 122.016 0.008 . 1 . . 282 . . 155 ARG N . 51080 1 33 . 1 . 1 8 8 PRO C C 13 176.768 . . 1 . . 384 . . 156 PRO C . 51080 1 34 . 1 . 1 8 8 PRO CA C 13 63.054 0.001 . 1 . . 883 . . 156 PRO CA . 51080 1 35 . 1 . 1 8 8 PRO CB C 13 32.052 0.002 . 1 . . 884 . . 156 PRO CB . 51080 1 36 . 1 . 1 9 9 ILE H H 1 8.291 0.001 . 1 . . 382 . . 157 ILE H . 51080 1 37 . 1 . 1 9 9 ILE C C 13 176.334 . . 1 . . 549 . . 157 ILE C . 51080 1 38 . 1 . 1 9 9 ILE CA C 13 61.281 0.026 . 1 . . 724 . . 157 ILE CA . 51080 1 39 . 1 . 1 9 9 ILE CB C 13 38.512 0.052 . 1 . . 721 . . 157 ILE CB . 51080 1 40 . 1 . 1 9 9 ILE CG1 C 13 27.221 . . 1 . . 1179 . . 157 ILE CG1 . 51080 1 41 . 1 . 1 9 9 ILE CG2 C 13 17.519 . . 1 . . 1178 . . 157 ILE CG2 . 51080 1 42 . 1 . 1 9 9 ILE N N 15 121.596 0.008 . 1 . . 383 . . 157 ILE N . 51080 1 43 . 1 . 1 10 10 ILE H H 1 8.163 0.002 . 1 . . 547 . . 158 ILE H . 51080 1 44 . 1 . 1 10 10 ILE C C 13 175.57 0.011 . 1 . . 674 . . 158 ILE C . 51080 1 45 . 1 . 1 10 10 ILE CA C 13 60.767 0.015 . 1 . . 722 . . 158 ILE CA . 51080 1 46 . 1 . 1 10 10 ILE CB C 13 38.789 0.056 . 1 . . 723 . . 158 ILE CB . 51080 1 47 . 1 . 1 10 10 ILE CG1 C 13 27.07 . . 1 . . 1176 . . 158 ILE CG1 . 51080 1 48 . 1 . 1 10 10 ILE CG2 C 13 17.477 . . 1 . . 1177 . . 158 ILE CG2 . 51080 1 49 . 1 . 1 10 10 ILE N N 15 124.758 0.006 . 1 . . 548 . . 158 ILE N . 51080 1 50 . 1 . 1 11 11 ASP H H 1 8.365 0.002 . 1 . . 539 . . 159 ASP H . 51080 1 51 . 1 . 1 11 11 ASP C C 13 175.537 . . 1 . . 680 . . 159 ASP C . 51080 1 52 . 1 . 1 11 11 ASP CA C 13 54.205 0.014 . 1 . . 714 . . 159 ASP CA . 51080 1 53 . 1 . 1 11 11 ASP CB C 13 41.312 0 . 1 . . 793 . . 159 ASP CB . 51080 1 54 . 1 . 1 11 11 ASP N N 15 124.728 0.007 . 1 . . 540 . . 159 ASP N . 51080 1 55 . 1 . 1 12 12 ARG H H 1 8.11 0.001 . 1 . . 285 . . 160 ARG H . 51080 1 56 . 1 . 1 12 12 ARG CA C 13 53.933 . . 1 . . 795 . . 160 ARG CA . 51080 1 57 . 1 . 1 12 12 ARG CB C 13 30.413 . . 1 . . 794 . . 160 ARG CB . 51080 1 58 . 1 . 1 12 12 ARG N N 15 122.087 0.005 . 1 . . 286 . . 160 ARG N . 51080 1 59 . 1 . 1 14 14 ILE C C 13 176.341 . . 1 . . 561 . . 162 ILE C . 51080 1 60 . 1 . 1 14 14 ILE CA C 13 61.165 0.002 . 1 . . 708 . . 162 ILE CA . 51080 1 61 . 1 . 1 14 14 ILE CB C 13 38.801 . . 1 . . 709 . . 162 ILE CB . 51080 1 62 . 1 . 1 15 15 ARG H H 1 8.463 0.003 . 1 . . 559 . . 163 ARG H . 51080 1 63 . 1 . 1 15 15 ARG C C 13 176.682 0.006 . 1 . . 41 . . 163 ARG C . 51080 1 64 . 1 . 1 15 15 ARG CA C 13 56.156 . . 1 . . 710 . . 163 ARG CA . 51080 1 65 . 1 . 1 15 15 ARG CB C 13 30.881 . . 1 . . 711 . . 163 ARG CB . 51080 1 66 . 1 . 1 15 15 ARG N N 15 125.313 0.007 . 1 . . 560 . . 163 ARG N . 51080 1 67 . 1 . 1 16 16 GLY H H 1 8.539 0.003 . 1 . . 39 . . 164 GLY H . 51080 1 68 . 1 . 1 16 16 GLY CA C 13 45.244 . . 1 . . 1090 . . 164 GLY CA . 51080 1 69 . 1 . 1 16 16 GLY N N 15 110.446 0.023 . 1 . . 40 . . 164 GLY N . 51080 1 70 . 1 . 1 19 19 GLY C C 13 174.388 . . 1 . . 365 . . 167 GLY C . 51080 1 71 . 1 . 1 19 19 GLY CA C 13 45.306 0.015 . 1 . . 871 . . 167 GLY CA . 51080 1 72 . 1 . 1 20 20 LEU H H 1 8.241 0.002 . 1 . . 363 . . 168 LEU H . 51080 1 73 . 1 . 1 20 20 LEU C C 13 178.1 0.008 . 1 . . 650 . . 168 LEU C . 51080 1 74 . 1 . 1 20 20 LEU CA C 13 55.366 0.012 . 1 . . 872 . . 168 LEU CA . 51080 1 75 . 1 . 1 20 20 LEU CB C 13 42.406 0.007 . 1 . . 870 . . 168 LEU CB . 51080 1 76 . 1 . 1 20 20 LEU N N 15 121.407 0.01 . 1 . . 364 . . 168 LEU N . 51080 1 77 . 1 . 1 21 21 GLY H H 1 8.521 0.002 . 1 . . 28 . . 169 GLY H . 51080 1 78 . 1 . 1 21 21 GLY C C 13 174.319 . . 1 . . 1213 . . 169 GLY C . 51080 1 79 . 1 . 1 21 21 GLY CA C 13 45.346 . . 1 . . 1108 . . 169 GLY CA . 51080 1 80 . 1 . 1 21 21 GLY N N 15 109.449 0.018 . 1 . . 29 . . 169 GLY N . 51080 1 81 . 1 . 1 34 34 GLY C C 13 174 . . 1 . . 205 . . 182 GLY C . 51080 1 82 . 1 . 1 34 34 GLY CA C 13 45.329 0.015 . 1 . . 985 . . 182 GLY CA . 51080 1 83 . 1 . 1 35 35 ASP H H 1 8.252 0.001 . 1 . . 203 . . 183 ASP H . 51080 1 84 . 1 . 1 35 35 ASP C C 13 176.78 0.002 . 1 . . 7 . . 183 ASP C . 51080 1 85 . 1 . 1 35 35 ASP CA C 13 54.36 0.006 . 1 . . 1133 . . 183 ASP CA . 51080 1 86 . 1 . 1 35 35 ASP CB C 13 41.301 0.027 . 1 . . 1132 . . 183 ASP CB . 51080 1 87 . 1 . 1 35 35 ASP N N 15 120.105 0.024 . 1 . . 204 . . 183 ASP N . 51080 1 88 . 1 . 1 36 36 GLY H H 1 8.422 0.002 . 1 . . 5 . . 184 GLY H . 51080 1 89 . 1 . 1 36 36 GLY C C 13 174.255 0.032 . 1 . . 608 . . 184 GLY C . 51080 1 90 . 1 . 1 36 36 GLY CA C 13 45.408 0.013 . 1 . . 1202 . . 184 GLY CA . 51080 1 91 . 1 . 1 36 36 GLY N N 15 108.7 0.016 . 1 . . 6 . . 184 GLY N . 51080 1 92 . 1 . 1 37 37 PHE H H 1 8.146 0.001 . 1 . . 201 . . 185 PHE H . 51080 1 93 . 1 . 1 37 37 PHE C C 13 175.636 0.001 . 1 . . 413 . . 185 PHE C . 51080 1 94 . 1 . 1 37 37 PHE CA C 13 58.087 0.032 . 1 . . 1205 . . 185 PHE CA . 51080 1 95 . 1 . 1 37 37 PHE CB C 13 39.793 0.019 . 1 . . 830 . . 185 PHE CB . 51080 1 96 . 1 . 1 37 37 PHE N N 15 120.053 0.005 . 1 . . 202 . . 185 PHE N . 51080 1 97 . 1 . 1 38 38 ASP H H 1 8.397 0.001 . 1 . . 411 . . 186 ASP H . 51080 1 98 . 1 . 1 38 38 ASP C C 13 176.501 . . 1 . . 109 . . 186 ASP C . 51080 1 99 . 1 . 1 38 38 ASP CA C 13 53.966 0.023 . 1 . . 833 . . 186 ASP CA . 51080 1 100 . 1 . 1 38 38 ASP CB C 13 41.282 0.043 . 1 . . 834 . . 186 ASP CB . 51080 1 101 . 1 . 1 38 38 ASP N N 15 121.754 0.009 . 1 . . 412 . . 186 ASP N . 51080 1 102 . 1 . 1 39 39 SER H H 1 8.302 0.002 . 1 . . 107 . . 187 SER H . 51080 1 103 . 1 . 1 39 39 SER C C 13 175.12 . . 1 . . 400 . . 187 SER C . 51080 1 104 . 1 . 1 39 39 SER CA C 13 59.117 0.022 . 1 . . 803 . . 187 SER CA . 51080 1 105 . 1 . 1 39 39 SER CB C 13 63.566 0.005 . 1 . . 1051 . . 187 SER CB . 51080 1 106 . 1 . 1 39 39 SER N N 15 116.774 0.019 . 1 . . 108 . . 187 SER N . 51080 1 107 . 1 . 1 40 40 ARG H H 1 8.34 0.003 . 1 . . 398 . . 188 ARG H . 51080 1 108 . 1 . 1 40 40 ARG C C 13 177.13 0.001 . 1 . . 666 . . 188 ARG C . 51080 1 109 . 1 . 1 40 40 ARG CA C 13 56.755 0.049 . 1 . . 805 . . 188 ARG CA . 51080 1 110 . 1 . 1 40 40 ARG CB C 13 30.342 0.022 . 1 . . 807 . . 188 ARG CB . 51080 1 111 . 1 . 1 40 40 ARG N N 15 122.171 0.013 . 1 . . 399 . . 188 ARG N . 51080 1 112 . 1 . 1 41 41 GLY H H 1 8.353 0.002 . 1 . . 14 . . 189 GLY H . 51080 1 113 . 1 . 1 41 41 GLY C C 13 174.174 . . 1 . . 1212 . . 189 GLY C . 51080 1 114 . 1 . 1 41 41 GLY CA C 13 45.488 . . 1 . . 1131 . . 189 GLY CA . 51080 1 115 . 1 . 1 41 41 GLY N N 15 108.982 0.015 . 1 . . 15 . . 189 GLY N . 51080 1 116 . 1 . 1 43 43 ARG C C 13 176.419 . . 1 . . 416 . . 191 ARG C . 51080 1 117 . 1 . 1 43 43 ARG CA C 13 56.228 0.026 . 1 . . 831 . . 191 ARG CA . 51080 1 118 . 1 . 1 43 43 ARG CB C 13 30.679 . . 1 . . 829 . . 191 ARG CB . 51080 1 119 . 1 . 1 44 44 GLU H H 1 8.407 0.001 . 1 . . 415 . . 192 GLU H . 51080 1 120 . 1 . 1 44 44 GLU C C 13 176.278 . . 1 . . 200 . . 192 GLU C . 51080 1 121 . 1 . 1 44 44 GLU CA C 13 56.861 0.009 . 1 . . 832 . . 192 GLU CA . 51080 1 122 . 1 . 1 44 44 GLU CB C 13 30.265 0 . 1 . . 835 . . 192 GLU CB . 51080 1 123 . 1 . 1 44 44 GLU CG C 13 36.088 . . 1 . . 1203 . . 192 GLU CG . 51080 1 124 . 1 . 1 44 44 GLU N N 15 121.781 0.023 . 1 . . 414 . . 192 GLU N . 51080 1 125 . 1 . 1 45 45 PHE H H 1 8.145 0.001 . 1 . . 198 . . 193 PHE H . 51080 1 126 . 1 . 1 45 45 PHE C C 13 175.436 0.003 . 1 . . 387 . . 193 PHE C . 51080 1 127 . 1 . 1 45 45 PHE CA C 13 57.808 0.024 . 1 . . 1206 . . 193 PHE CA . 51080 1 128 . 1 . 1 45 45 PHE CB C 13 39.604 0.01 . 1 . . 847 . . 193 PHE CB . 51080 1 129 . 1 . 1 45 45 PHE N N 15 120.021 0.011 . 1 . . 199 . . 193 PHE N . 51080 1 130 . 1 . 1 46 46 ASP H H 1 8.242 0.001 . 1 . . 385 . . 194 ASP H . 51080 1 131 . 1 . 1 46 46 ASP C C 13 176.267 0.013 . 1 . . 647 . . 194 ASP C . 51080 1 132 . 1 . 1 46 46 ASP CA C 13 54.228 0.013 . 1 . . 867 . . 194 ASP CA . 51080 1 133 . 1 . 1 46 46 ASP CB C 13 41.272 0.018 . 1 . . 866 . . 194 ASP CB . 51080 1 134 . 1 . 1 46 46 ASP N N 15 121.769 0.009 . 1 . . 386 . . 194 ASP N . 51080 1 135 . 1 . 1 47 47 ARG H H 1 8.202 0.001 . 1 . . 369 . . 195 ARG H . 51080 1 136 . 1 . 1 47 47 ARG C C 13 176.312 . . 1 . . 648 . . 195 ARG C . 51080 1 137 . 1 . 1 47 47 ARG CA C 13 56.582 . . 1 . . 868 . . 195 ARG CA . 51080 1 138 . 1 . 1 47 47 ARG CB C 13 30.473 . . 1 . . 869 . . 195 ARG CB . 51080 1 139 . 1 . 1 47 47 ARG N N 15 121.392 0.012 . 1 . . 370 . . 195 ARG N . 51080 1 140 . 1 . 1 50 50 GLY C C 13 174.294 . . 1 . . 95 . . 198 GLY C . 51080 1 141 . 1 . 1 50 50 GLY CA C 13 45.4 . . 1 . . 1067 . . 198 GLY CA . 51080 1 142 . 1 . 1 51 51 SER H H 1 8.17 0.005 . 1 . . 93 . . 199 SER H . 51080 1 143 . 1 . 1 51 51 SER C C 13 174.357 . . 1 . . 427 . . 199 SER C . 51080 1 144 . 1 . 1 51 51 SER CA C 13 58.543 0.013 . 1 . . 812 . . 199 SER CA . 51080 1 145 . 1 . 1 51 51 SER CB C 13 63.824 0.069 . 1 . . 811 . . 199 SER CB . 51080 1 146 . 1 . 1 51 51 SER N N 15 115.559 0.017 . 1 . . 94 . . 199 SER N . 51080 1 147 . 1 . 1 52 52 ASP H H 1 8.441 0.001 . 1 . . 425 . . 200 ASP H . 51080 1 148 . 1 . 1 52 52 ASP C C 13 176.492 . . 1 . . 373 . . 200 ASP C . 51080 1 149 . 1 . 1 52 52 ASP CA C 13 54.382 0.002 . 1 . . 875 . . 200 ASP CA . 51080 1 150 . 1 . 1 52 52 ASP CB C 13 41.039 0.023 . 1 . . 813 . . 200 ASP CB . 51080 1 151 . 1 . 1 52 52 ASP N N 15 122.126 0.022 . 1 . . 426 . . 200 ASP N . 51080 1 152 . 1 . 1 53 53 ARG H H 1 8.318 0.001 . 1 . . 371 . . 201 ARG H . 51080 1 153 . 1 . 1 53 53 ARG C C 13 176.741 . . 1 . . 117 . . 201 ARG C . 51080 1 154 . 1 . 1 53 53 ARG CA C 13 56.402 0.016 . 1 . . 876 . . 201 ARG CA . 51080 1 155 . 1 . 1 53 53 ARG CB C 13 30.295 . . 1 . . 1056 . . 201 ARG CB . 51080 1 156 . 1 . 1 53 53 ARG N N 15 121.574 0.023 . 1 . . 372 . . 201 ARG N . 51080 1 157 . 1 . 1 54 54 SER H H 1 8.391 0.002 . 1 . . 115 . . 202 SER H . 51080 1 158 . 1 . 1 54 54 SER N N 15 116.497 0.015 . 1 . . 116 . . 202 SER N . 51080 1 159 . 1 . 1 55 55 SER C C 13 174.309 . . 1 . . 296 . . 203 SER C . 51080 1 160 . 1 . 1 55 55 SER CA C 13 58.715 . . 1 . . 852 . . 203 SER CA . 51080 1 161 . 1 . 1 55 55 SER CB C 13 63.58 . . 1 . . 853 . . 203 SER CB . 51080 1 162 . 1 . 1 56 56 PHE H H 1 8.133 0.002 . 1 . . 295 . . 204 PHE H . 51080 1 163 . 1 . 1 56 56 PHE C C 13 175.913 0.004 . 1 . . 642 . . 204 PHE C . 51080 1 164 . 1 . 1 56 56 PHE CA C 13 57.963 . . 1 . . 851 . . 204 PHE CA . 51080 1 165 . 1 . 1 56 56 PHE CB C 13 39.507 0.016 . 1 . . 854 . . 204 PHE CB . 51080 1 166 . 1 . 1 56 56 PHE N N 15 121.523 0.015 . 1 . . 294 . . 204 PHE N . 51080 1 167 . 1 . 1 57 57 SER H H 1 8.139 0.002 . 1 . . 99 . . 205 SER H . 51080 1 168 . 1 . 1 57 57 SER N N 15 116.686 0.044 . 1 . . 100 . . 205 SER N . 51080 1 169 . 1 . 1 60 60 SER C C 13 174.859 . . 1 . . 64 . . 208 SER C . 51080 1 170 . 1 . 1 60 60 SER CA C 13 58.587 . . 1 . . 1087 . . 208 SER CA . 51080 1 171 . 1 . 1 60 60 SER CB C 13 63.848 . . 1 . . 1088 . . 208 SER CB . 51080 1 172 . 1 . 1 61 61 GLY H H 1 7.859 0.002 . 1 . . 62 . . 209 GLY H . 51080 1 173 . 1 . 1 61 61 GLY C C 13 173.851 0.004 . 1 . . 1134 . . 209 GLY C . 51080 1 174 . 1 . 1 61 61 GLY CA C 13 45.297 0.021 . 1 . . 1086 . . 209 GLY CA . 51080 1 175 . 1 . 1 61 61 GLY N N 15 110.228 0.01 . 1 . . 63 . . 209 GLY N . 51080 1 176 . 1 . 1 62 62 LEU H H 1 7.97 0.002 . 1 . . 269 . . 210 LEU H . 51080 1 177 . 1 . 1 62 62 LEU C C 13 177.35 0.002 . 1 . . 1200 . . 210 LEU C . 51080 1 178 . 1 . 1 62 62 LEU CA C 13 55.171 0.014 . 1 . . 900 . . 210 LEU CA . 51080 1 179 . 1 . 1 62 62 LEU CB C 13 42.462 0.001 . 1 . . 839 . . 210 LEU CB . 51080 1 180 . 1 . 1 62 62 LEU N N 15 121.196 0.003 . 1 . . 270 . . 210 LEU N . 51080 1 181 . 1 . 1 63 63 LYS H H 1 8.334 0.001 . 1 . . 393 . . 211 LYS H . 51080 1 182 . 1 . 1 63 63 LYS C C 13 176.327 . . 1 . . 1201 . . 211 LYS C . 51080 1 183 . 1 . 1 63 63 LYS CA C 13 56.314 . . 1 . . 838 . . 211 LYS CA . 51080 1 184 . 1 . 1 63 63 LYS CB C 13 32.921 . . 1 . . 837 . . 211 LYS CB . 51080 1 185 . 1 . 1 63 63 LYS N N 15 121.939 0.007 . 1 . . 394 . . 211 LYS N . 51080 1 186 . 1 . 1 65 65 GLU C C 13 175.939 . . 1 . . 422 . . 213 GLU C . 51080 1 187 . 1 . 1 65 65 GLU CA C 13 56.608 . . 1 . . 816 . . 213 GLU CA . 51080 1 188 . 1 . 1 65 65 GLU CB C 13 30.499 . . 1 . . 819 . . 213 GLU CB . 51080 1 189 . 1 . 1 65 65 GLU CG C 13 36.178 . . 1 . . 1193 . . 213 GLU CG . 51080 1 190 . 1 . 1 66 66 ASP H H 1 8.432 0.001 . 1 . . 420 . . 214 ASP H . 51080 1 191 . 1 . 1 66 66 ASP C C 13 176.447 0.01 . 1 . . 1192 . . 214 ASP C . 51080 1 192 . 1 . 1 66 66 ASP CA C 13 54.318 0.014 . 1 . . 824 . . 214 ASP CA . 51080 1 193 . 1 . 1 66 66 ASP CB C 13 41.262 0.011 . 1 . . 827 . . 214 ASP CB . 51080 1 194 . 1 . 1 66 66 ASP N N 15 121.98 0.035 . 1 . . 421 . . 214 ASP N . 51080 1 195 . 1 . 1 67 67 LYS H H 1 8.326 0.001 . 1 . . 401 . . 215 LYS H . 51080 1 196 . 1 . 1 67 67 LYS C C 13 176.889 0.016 . 1 . . 331 . . 215 LYS C . 51080 1 197 . 1 . 1 67 67 LYS CA C 13 56.477 0.006 . 1 . . 804 . . 215 LYS CA . 51080 1 198 . 1 . 1 67 67 LYS CB C 13 32.581 0.004 . 1 . . 806 . . 215 LYS CB . 51080 1 199 . 1 . 1 67 67 LYS N N 15 122.172 0.014 . 1 . . 402 . . 215 LYS N . 51080 1 200 . 1 . 1 68 68 ARG H H 1 8.36 0.002 . 1 . . 330 . . 216 ARG H . 51080 1 201 . 1 . 1 68 68 ARG C C 13 177.074 0.012 . 1 . . 651 . . 216 ARG C . 51080 1 202 . 1 . 1 68 68 ARG CA C 13 56.531 0.024 . 1 . . 1100 . . 216 ARG CA . 51080 1 203 . 1 . 1 68 68 ARG CB C 13 30.458 0.012 . 1 . . 1101 . . 216 ARG CB . 51080 1 204 . 1 . 1 68 68 ARG N N 15 121.384 0.004 . 1 . . 329 . . 216 ARG N . 51080 1 205 . 1 . 1 69 69 GLY H H 1 8.4 0.001 . 1 . . 46 . . 217 GLY H . 51080 1 206 . 1 . 1 69 69 GLY CA C 13 45.373 . . 1 . . 1099 . . 217 GLY CA . 51080 1 207 . 1 . 1 69 69 GLY N N 15 109.571 0.011 . 1 . . 47 . . 217 GLY N . 51080 1 208 . 1 . 1 71 71 SER C C 13 175.162 . . 1 . . 67 . . 219 SER C . 51080 1 209 . 1 . 1 71 71 SER CA C 13 58.762 . . 1 . . 1222 . . 219 SER CA . 51080 1 210 . 1 . 1 71 71 SER CB C 13 63.741 . . 1 . . 1223 . . 219 SER CB . 51080 1 211 . 1 . 1 72 72 GLY H H 1 8.521 0.007 . 1 . . 65 . . 220 GLY H . 51080 1 212 . 1 . 1 72 72 GLY CA C 13 45.475 . . 1 . . 1089 . . 220 GLY CA . 51080 1 213 . 1 . 1 72 72 GLY N N 15 111.108 0.016 . 1 . . 66 . . 220 GLY N . 51080 1 214 . 1 . 1 75 75 ASN C C 13 174.906 . . 1 . . 299 . . 223 ASN C . 51080 1 215 . 1 . 1 75 75 ASN CA C 13 53.006 0.028 . 1 . . 849 . . 223 ASN CA . 51080 1 216 . 1 . 1 75 75 ASN CB C 13 38.63 . . 1 . . 850 . . 223 ASN CB . 51080 1 217 . 1 . 1 76 76 TRP H H 1 8.141 0.001 . 1 . . 297 . . 224 TRP H . 51080 1 218 . 1 . 1 76 76 TRP C C 13 176.737 0.002 . 1 . . 56 . . 224 TRP C . 51080 1 219 . 1 . 1 76 76 TRP CA C 13 57.416 0.011 . 1 . . 1096 . . 224 TRP CA . 51080 1 220 . 1 . 1 76 76 TRP CB C 13 29.53 0.013 . 1 . . 1097 . . 224 TRP CB . 51080 1 221 . 1 . 1 76 76 TRP N N 15 121.717 0.014 . 1 . . 298 . . 224 TRP N . 51080 1 222 . 1 . 1 77 77 GLY H H 1 8.336 0.001 . 1 . . 55 . . 225 GLY H . 51080 1 223 . 1 . 1 77 77 GLY C C 13 174.152 0.006 . 1 . . 1189 . . 225 GLY C . 51080 1 224 . 1 . 1 77 77 GLY CA C 13 45.422 0.014 . 1 . . 1080 . . 225 GLY CA . 51080 1 225 . 1 . 1 77 77 GLY N N 15 109.889 0.009 . 1 . . 54 . . 225 GLY N . 51080 1 226 . 1 . 1 78 78 THR H H 1 8.035 0.001 . 1 . . 72 . . 226 THR H . 51080 1 227 . 1 . 1 78 78 THR C C 13 174.667 0.014 . 1 . . 483 . . 226 THR C . 51080 1 228 . 1 . 1 78 78 THR CA C 13 61.946 . . 1 . . 1081 . . 226 THR CA . 51080 1 229 . 1 . 1 78 78 THR CB C 13 70.031 0.014 . 1 . . 1082 . . 226 THR CB . 51080 1 230 . 1 . 1 78 78 THR N N 15 113.882 0.004 . 1 . . 71 . . 226 THR N . 51080 1 231 . 1 . 1 79 79 VAL H H 1 8.204 0.001 . 1 . . 481 . . 227 VAL H . 51080 1 232 . 1 . 1 79 79 VAL C C 13 176.021 0.002 . 1 . . 558 . . 227 VAL C . 51080 1 233 . 1 . 1 79 79 VAL CA C 13 62.403 0.006 . 1 . . 705 . . 227 VAL CA . 51080 1 234 . 1 . 1 79 79 VAL CB C 13 32.702 0.024 . 1 . . 706 . . 227 VAL CB . 51080 1 235 . 1 . 1 79 79 VAL N N 15 122.755 0.012 . 1 . . 482 . . 227 VAL N . 51080 1 236 . 1 . 1 80 80 LYS H H 1 8.384 0.001 . 1 . . 556 . . 228 LYS H . 51080 1 237 . 1 . 1 80 80 LYS C C 13 176.126 0.032 . 1 . . 379 . . 228 LYS C . 51080 1 238 . 1 . 1 80 80 LYS CA C 13 56.413 0.015 . 1 . . 707 . . 228 LYS CA . 51080 1 239 . 1 . 1 80 80 LYS CB C 13 33.067 0.016 . 1 . . 842 . . 228 LYS CB . 51080 1 240 . 1 . 1 80 80 LYS N N 15 125.282 0.006 . 1 . . 557 . . 228 LYS N . 51080 1 241 . 1 . 1 81 81 ASP H H 1 8.305 0.001 . 1 . . 377 . . 229 ASP H . 51080 1 242 . 1 . 1 81 81 ASP C C 13 176.188 . . 1 . . 334 . . 229 ASP C . 51080 1 243 . 1 . 1 81 81 ASP CA C 13 54.494 0.007 . 1 . . 843 . . 229 ASP CA . 51080 1 244 . 1 . 1 81 81 ASP CB C 13 41.232 0.017 . 1 . . 844 . . 229 ASP CB . 51080 1 245 . 1 . 1 81 81 ASP N N 15 121.837 0.009 . 1 . . 378 . . 229 ASP N . 51080 1 246 . 1 . 1 82 82 GLU H H 1 8.416 0.001 . 1 . . 333 . . 230 GLU H . 51080 1 247 . 1 . 1 82 82 GLU C C 13 176.594 0.007 . 1 . . 652 . . 230 GLU C . 51080 1 248 . 1 . 1 82 82 GLU CA C 13 56.855 0.012 . 1 . . 890 . . 230 GLU CA . 51080 1 249 . 1 . 1 82 82 GLU CB C 13 30.248 0.014 . 1 . . 891 . . 230 GLU CB . 51080 1 250 . 1 . 1 82 82 GLU N N 15 121.207 0.008 . 1 . . 332 . . 230 GLU N . 51080 1 251 . 1 . 1 83 83 LEU H H 1 8.314 0.001 . 1 . . 403 . . 231 LEU H . 51080 1 252 . 1 . 1 83 83 LEU C C 13 177.694 0.014 . 1 . . 75 . . 231 LEU C . 51080 1 253 . 1 . 1 83 83 LEU CA C 13 55.473 0.01 . 1 . . 1078 . . 231 LEU CA . 51080 1 254 . 1 . 1 83 83 LEU CB C 13 42.026 0.008 . 1 . . 1079 . . 231 LEU CB . 51080 1 255 . 1 . 1 83 83 LEU N N 15 122.31 0.007 . 1 . . 404 . . 231 LEU N . 51080 1 256 . 1 . 1 84 84 THR H H 1 8.018 0.001 . 1 . . 73 . . 232 THR H . 51080 1 257 . 1 . 1 84 84 THR C C 13 174.477 0.007 . 1 . . 612 . . 232 THR C . 51080 1 258 . 1 . 1 84 84 THR CA C 13 62.145 0.02 . 1 . . 1076 . . 232 THR CA . 51080 1 259 . 1 . 1 84 84 THR CB C 13 69.754 0.012 . 1 . . 1077 . . 232 THR CB . 51080 1 260 . 1 . 1 84 84 THR CG2 C 13 21.549 . . 1 . . 1151 . . 232 THR CG2 . 51080 1 261 . 1 . 1 84 84 THR N N 15 114.298 0.009 . 1 . . 74 . . 232 THR N . 51080 1 262 . 1 . 1 85 85 GLU H H 1 8.282 0.001 . 1 . . 479 . . 233 GLU H . 51080 1 263 . 1 . 1 85 85 GLU C C 13 176.112 0.002 . 1 . . 667 . . 233 GLU C . 51080 1 264 . 1 . 1 85 85 GLU CA C 13 56.232 0.001 . 1 . . 777 . . 233 GLU CA . 51080 1 265 . 1 . 1 85 85 GLU CB C 13 30.509 0.014 . 1 . . 778 . . 233 GLU CB . 51080 1 266 . 1 . 1 85 85 GLU CG C 13 36.218 . . 1 . . 1152 . . 233 GLU CG . 51080 1 267 . 1 . 1 85 85 GLU N N 15 122.685 0.006 . 1 . . 480 . . 233 GLU N . 51080 1 268 . 1 . 1 86 86 SER H H 1 8.333 0.001 . 1 . . 152 . . 234 SER H . 51080 1 269 . 1 . 1 86 86 SER C C 13 172.827 . . 1 . . 622 . . 234 SER C . 51080 1 270 . 1 . 1 86 86 SER CA C 13 56.568 . . 1 . . 1024 . . 234 SER CA . 51080 1 271 . 1 . 1 86 86 SER CB C 13 63.292 . . 1 . . 1023 . . 234 SER CB . 51080 1 272 . 1 . 1 86 86 SER N N 15 118.372 0.013 . 1 . . 153 . . 234 SER N . 51080 1 273 . 1 . 1 87 87 PRO C C 13 176.915 . . 1 . . 231 . . 235 PRO C . 51080 1 274 . 1 . 1 87 87 PRO CA C 13 63.444 0.025 . 1 . . 977 . . 235 PRO CA . 51080 1 275 . 1 . 1 87 87 PRO CB C 13 32.076 0.007 . 1 . . 978 . . 235 PRO CB . 51080 1 276 . 1 . 1 88 88 LYS H H 1 8.281 0.002 . 1 . . 230 . . 236 LYS H . 51080 1 277 . 1 . 1 88 88 LYS C C 13 176.378 0.023 . 1 . . 251 . . 236 LYS C . 51080 1 278 . 1 . 1 88 88 LYS CA C 13 56.628 0.022 . 1 . . 988 . . 236 LYS CA . 51080 1 279 . 1 . 1 88 88 LYS CB C 13 32.975 0.018 . 1 . . 989 . . 236 LYS CB . 51080 1 280 . 1 . 1 88 88 LYS N N 15 120.668 0.024 . 1 . . 229 . . 236 LYS N . 51080 1 281 . 1 . 1 89 89 TYR H H 1 8.001 0.003 . 1 . . 249 . . 237 TYR H . 51080 1 282 . 1 . 1 89 89 TYR C C 13 175.575 0.015 . 1 . . 503 . . 237 TYR C . 51080 1 283 . 1 . 1 89 89 TYR CA C 13 57.794 0.002 . 1 . . 769 . . 237 TYR CA . 51080 1 284 . 1 . 1 89 89 TYR CB C 13 38.691 0.004 . 1 . . 768 . . 237 TYR CB . 51080 1 285 . 1 . 1 89 89 TYR N N 15 120.136 0.015 . 1 . . 250 . . 237 TYR N . 51080 1 286 . 1 . 1 90 90 ILE H H 1 7.926 0.001 . 1 . . 501 . . 238 ILE H . 51080 1 287 . 1 . 1 90 90 ILE C C 13 175.791 0.007 . 1 . . 669 . . 238 ILE C . 51080 1 288 . 1 . 1 90 90 ILE CA C 13 60.938 0 . 1 . . 729 . . 238 ILE CA . 51080 1 289 . 1 . 1 90 90 ILE CB C 13 38.734 0.005 . 1 . . 770 . . 238 ILE CB . 51080 1 290 . 1 . 1 90 90 ILE N N 15 122.989 0.01 . 1 . . 502 . . 238 ILE N . 51080 1 291 . 1 . 1 91 91 GLN H H 1 8.331 0.001 . 1 . . 534 . . 239 GLN H . 51080 1 292 . 1 . 1 91 91 GLN C C 13 175.875 0.011 . 1 . . 678 . . 239 GLN C . 51080 1 293 . 1 . 1 91 91 GLN CA C 13 55.966 0.015 . 1 . . 731 . . 239 GLN CA . 51080 1 294 . 1 . 1 91 91 GLN CB C 13 29.314 . . 1 . . 730 . . 239 GLN CB . 51080 1 295 . 1 . 1 91 91 GLN CG C 13 33.714 . . 1 . . 1169 . . 239 GLN CG . 51080 1 296 . 1 . 1 91 91 GLN N N 15 124.38 0.004 . 1 . . 535 . . 239 GLN N . 51080 1 297 . 1 . 1 92 92 LYS H H 1 8.313 0.002 . 1 . . 504 . . 240 LYS H . 51080 1 298 . 1 . 1 92 92 LYS C C 13 176.349 0.004 . 1 . . 410 . . 240 LYS C . 51080 1 299 . 1 . 1 92 92 LYS CA C 13 56.545 0.018 . 1 . . 836 . . 240 LYS CA . 51080 1 300 . 1 . 1 92 92 LYS CB C 13 33.052 0.033 . 1 . . 767 . . 240 LYS CB . 51080 1 301 . 1 . 1 92 92 LYS N N 15 123.036 0.017 . 1 . . 505 . . 240 LYS N . 51080 1 302 . 1 . 1 93 93 GLN H H 1 8.377 0.002 . 1 . . 408 . . 241 GLN H . 51080 1 303 . 1 . 1 93 93 GLN C C 13 175.823 0 . 1 . . 486 . . 241 GLN C . 51080 1 304 . 1 . 1 93 93 GLN CA C 13 55.742 0.011 . 1 . . 783 . . 241 GLN CA . 51080 1 305 . 1 . 1 93 93 GLN CB C 13 29.402 0.029 . 1 . . 784 . . 241 GLN CB . 51080 1 306 . 1 . 1 93 93 GLN CG C 13 33.677 . . 1 . . 1181 . . 241 GLN CG . 51080 1 307 . 1 . 1 93 93 GLN N N 15 121.666 0.012 . 1 . . 409 . . 241 GLN N . 51080 1 308 . 1 . 1 94 94 ILE H H 1 8.203 0.002 . 1 . . 484 . . 242 ILE H . 51080 1 309 . 1 . 1 94 94 ILE C C 13 175.882 0.013 . 1 . . 172 . . 242 ILE C . 51080 1 310 . 1 . 1 94 94 ILE CA C 13 61.217 0.029 . 1 . . 995 . . 242 ILE CA . 51080 1 311 . 1 . 1 94 94 ILE CB C 13 38.818 . . 1 . . 996 . . 242 ILE CB . 51080 1 312 . 1 . 1 94 94 ILE N N 15 122.436 0.008 . 1 . . 485 . . 242 ILE N . 51080 1 313 . 1 . 1 95 95 SER H H 1 8.215 0.003 . 1 . . 170 . . 243 SER H . 51080 1 314 . 1 . 1 95 95 SER C C 13 173.858 0.005 . 1 . . 489 . . 243 SER C . 51080 1 315 . 1 . 1 95 95 SER CA C 13 57.909 0.015 . 1 . . 782 . . 243 SER CA . 51080 1 316 . 1 . 1 95 95 SER CB C 13 63.943 0.005 . 1 . . 994 . . 243 SER CB . 51080 1 317 . 1 . 1 95 95 SER N N 15 119.253 0.011 . 1 . . 171 . . 243 SER N . 51080 1 318 . 1 . 1 96 96 TYR H H 1 8.202 0.002 . 1 . . 487 . . 244 TYR H . 51080 1 319 . 1 . 1 96 96 TYR C C 13 175.132 0.002 . 1 . . 1211 . . 244 TYR C . 51080 1 320 . 1 . 1 96 96 TYR CA C 13 57.882 0.01 . 1 . . 785 . . 244 TYR CA . 51080 1 321 . 1 . 1 96 96 TYR CB C 13 38.966 0.044 . 1 . . 786 . . 244 TYR CB . 51080 1 322 . 1 . 1 96 96 TYR N N 15 122.505 0.018 . 1 . . 488 . . 244 TYR N . 51080 1 323 . 1 . 1 97 97 ASN H H 1 8.293 0.001 . 1 . . 340 . . 245 ASN H . 51080 1 324 . 1 . 1 97 97 ASN C C 13 175.182 . . 1 . . 290 . . 245 ASN C . 51080 1 325 . 1 . 1 97 97 ASN CA C 13 52.795 0.003 . 1 . . 1185 . . 245 ASN CA . 51080 1 326 . 1 . 1 97 97 ASN CB C 13 38.933 0.024 . 1 . . 862 . . 245 ASN CB . 51080 1 327 . 1 . 1 97 97 ASN N N 15 120.376 0.013 . 1 . . 341 . . 245 ASN N . 51080 1 328 . 1 . 1 98 98 TYR H H 1 8.09 0.003 . 1 . . 289 . . 246 TYR H . 51080 1 329 . 1 . 1 98 98 TYR C C 13 175.989 0.006 . 1 . . 103 . . 246 TYR C . 51080 1 330 . 1 . 1 98 98 TYR CA C 13 58.493 0.013 . 1 . . 1053 . . 246 TYR CA . 51080 1 331 . 1 . 1 98 98 TYR CB C 13 38.595 0.053 . 1 . . 1054 . . 246 TYR CB . 51080 1 332 . 1 . 1 98 98 TYR N N 15 121.236 0.015 . 1 . . 288 . . 246 TYR N . 51080 1 333 . 1 . 1 99 99 SER H H 1 8.19 0.001 . 1 . . 101 . . 247 SER H . 51080 1 334 . 1 . 1 99 99 SER C C 13 174.229 0.003 . 1 . . 407 . . 247 SER C . 51080 1 335 . 1 . 1 99 99 SER CA C 13 58.562 0.011 . 1 . . 801 . . 247 SER CA . 51080 1 336 . 1 . 1 99 99 SER CB C 13 63.911 0.033 . 1 . . 802 . . 247 SER CB . 51080 1 337 . 1 . 1 99 99 SER N N 15 116.66 0.005 . 1 . . 102 . . 247 SER N . 51080 1 338 . 1 . 1 100 100 ASP H H 1 8.275 0.001 . 1 . . 405 . . 248 ASP H . 51080 1 339 . 1 . 1 100 100 ASP C C 13 176.391 0.02 . 1 . . 665 . . 248 ASP C . 51080 1 340 . 1 . 1 100 100 ASP CA C 13 54.65 0.01 . 1 . . 896 . . 248 ASP CA . 51080 1 341 . 1 . 1 100 100 ASP CB C 13 40.981 0.001 . 1 . . 897 . . 248 ASP CB . 51080 1 342 . 1 . 1 100 100 ASP N N 15 122.223 0.006 . 1 . . 406 . . 248 ASP N . 51080 1 343 . 1 . 1 101 101 LEU H H 1 8.01 0.001 . 1 . . 274 . . 249 LEU H . 51080 1 344 . 1 . 1 101 101 LEU C C 13 177.332 0.003 . 1 . . 223 . . 249 LEU C . 51080 1 345 . 1 . 1 101 101 LEU CA C 13 55.503 0.011 . 1 . . 926 . . 249 LEU CA . 51080 1 346 . 1 . 1 101 101 LEU CB C 13 42.298 0.011 . 1 . . 925 . . 249 LEU CB . 51080 1 347 . 1 . 1 101 101 LEU N N 15 121.34 0.008 . 1 . . 275 . . 249 LEU N . 51080 1 348 . 1 . 1 102 102 ASP H H 1 8.229 0.001 . 1 . . 222 . . 250 ASP H . 51080 1 349 . 1 . 1 102 102 ASP C C 13 176.489 0.01 . 1 . . 320 . . 250 ASP C . 51080 1 350 . 1 . 1 102 102 ASP CA C 13 54.59 0.019 . 1 . . 940 . . 250 ASP CA . 51080 1 351 . 1 . 1 102 102 ASP CB C 13 41.117 0.021 . 1 . . 924 . . 250 ASP CB . 51080 1 352 . 1 . 1 102 102 ASP N N 15 120.665 0.009 . 1 . . 221 . . 250 ASP N . 51080 1 353 . 1 . 1 103 103 GLN H H 1 8.284 0.001 . 1 . . 318 . . 251 GLN H . 51080 1 354 . 1 . 1 103 103 GLN C C 13 176.214 0.006 . 1 . . 637 . . 251 GLN C . 51080 1 355 . 1 . 1 103 103 GLN CA C 13 55.897 0.01 . 1 . . 941 . . 251 GLN CA . 51080 1 356 . 1 . 1 103 103 GLN CB C 13 29.18 0.004 . 1 . . 939 . . 251 GLN CB . 51080 1 357 . 1 . 1 103 103 GLN CG C 13 33.779 . . 1 . . 1170 . . 251 GLN CG . 51080 1 358 . 1 . 1 103 103 GLN N N 15 120.91 0.008 . 1 . . 319 . . 251 GLN N . 51080 1 359 . 1 . 1 104 104 SER H H 1 8.379 0.001 . 1 . . 113 . . 252 SER H . 51080 1 360 . 1 . 1 104 104 SER C C 13 174.389 0.006 . 1 . . 1171 . . 252 SER C . 51080 1 361 . 1 . 1 104 104 SER CA C 13 59.068 0.026 . 1 . . 1057 . . 252 SER CA . 51080 1 362 . 1 . 1 104 104 SER CB C 13 63.745 0.024 . 1 . . 959 . . 252 SER CB . 51080 1 363 . 1 . 1 104 104 SER N N 15 116.42 0.005 . 1 . . 114 . . 252 SER N . 51080 1 364 . 1 . 1 105 105 ASN H H 1 8.392 0.001 . 1 . . 235 . . 253 ASN H . 51080 1 365 . 1 . 1 105 105 ASN C C 13 175.01 0.007 . 1 . . 1172 . . 253 ASN C . 51080 1 366 . 1 . 1 105 105 ASN CA C 13 53.282 0.009 . 1 . . 957 . . 253 ASN CA . 51080 1 367 . 1 . 1 105 105 ASN CB C 13 38.923 0.006 . 1 . . 958 . . 253 ASN CB . 51080 1 368 . 1 . 1 105 105 ASN N N 15 120.551 0.022 . 1 . . 234 . . 253 ASN N . 51080 1 369 . 1 . 1 106 106 VAL H H 1 8.03 0.001 . 1 . . 247 . . 254 VAL H . 51080 1 370 . 1 . 1 106 106 VAL C C 13 176.267 0.008 . 1 . . 149 . . 254 VAL C . 51080 1 371 . 1 . 1 106 106 VAL CA C 13 62.461 0.01 . 1 . . 1026 . . 254 VAL CA . 51080 1 372 . 1 . 1 106 106 VAL CB C 13 32.687 0.018 . 1 . . 1027 . . 254 VAL CB . 51080 1 373 . 1 . 1 106 106 VAL N N 15 120.266 0.006 . 1 . . 248 . . 254 VAL N . 51080 1 374 . 1 . 1 107 107 THR H H 1 8.256 0.001 . 1 . . 147 . . 255 THR H . 51080 1 375 . 1 . 1 107 107 THR C C 13 174.361 0.017 . 1 . . 620 . . 255 THR C . 51080 1 376 . 1 . 1 107 107 THR CA C 13 61.803 0.016 . 1 . . 746 . . 255 THR CA . 51080 1 377 . 1 . 1 107 107 THR CB C 13 69.908 0.029 . 1 . . 747 . . 255 THR CB . 51080 1 378 . 1 . 1 107 107 THR CG2 C 13 21.414 . . 1 . . 1182 . . 255 THR CG2 . 51080 1 379 . 1 . 1 107 107 THR N N 15 118.266 0.011 . 1 . . 148 . . 255 THR N . 51080 1 380 . 1 . 1 108 108 GLU H H 1 8.422 0.001 . 1 . . 470 . . 256 GLU H . 51080 1 381 . 1 . 1 108 108 GLU C C 13 176.138 0.004 . 1 . . 434 . . 256 GLU C . 51080 1 382 . 1 . 1 108 108 GLU CA C 13 56.399 0.009 . 1 . . 748 . . 256 GLU CA . 51080 1 383 . 1 . 1 108 108 GLU CB C 13 30.543 0.009 . 1 . . 781 . . 256 GLU CB . 51080 1 384 . 1 . 1 108 108 GLU CG C 13 36.25 . . 1 . . 1183 . . 256 GLU CG . 51080 1 385 . 1 . 1 108 108 GLU N N 15 123.535 0.007 . 1 . . 471 . . 256 GLU N . 51080 1 386 . 1 . 1 109 109 GLU H H 1 8.452 0.001 . 1 . . 432 . . 257 GLU H . 51080 1 387 . 1 . 1 109 109 GLU C C 13 176.323 0.031 . 1 . . 156 . . 257 GLU C . 51080 1 388 . 1 . 1 109 109 GLU CA C 13 56.373 0.008 . 1 . . 1020 . . 257 GLU CA . 51080 1 389 . 1 . 1 109 109 GLU CB C 13 30.521 0.01 . 1 . . 1019 . . 257 GLU CB . 51080 1 390 . 1 . 1 109 109 GLU CG C 13 36.267 . . 1 . . 1144 . . 257 GLU CG . 51080 1 391 . 1 . 1 109 109 GLU N N 15 122.472 0.007 . 1 . . 433 . . 257 GLU N . 51080 1 392 . 1 . 1 110 110 THR H H 1 8.383 0.001 . 1 . . 154 . . 258 THR H . 51080 1 393 . 1 . 1 110 110 THR C C 13 172.932 . . 1 . . 623 . . 258 THR C . 51080 1 394 . 1 . 1 110 110 THR CA C 13 59.784 . . 1 . . 1021 . . 258 THR CA . 51080 1 395 . 1 . 1 110 110 THR CB C 13 69.741 . . 1 . . 1022 . . 258 THR CB . 51080 1 396 . 1 . 1 110 110 THR N N 15 118.432 0.012 . 1 . . 155 . . 258 THR N . 51080 1 397 . 1 . 1 111 111 PRO C C 13 176.956 . . 1 . . 351 . . 259 PRO C . 51080 1 398 . 1 . 1 111 111 PRO CA C 13 63.24 0.016 . 1 . . 882 . . 259 PRO CA . 51080 1 399 . 1 . 1 111 111 PRO CB C 13 32.125 0.009 . 1 . . 881 . . 259 PRO CB . 51080 1 400 . 1 . 1 111 111 PRO CG C 13 27.331 . . 1 . . 1155 . . 259 PRO CG . 51080 1 401 . 1 . 1 112 112 GLU H H 1 8.561 0.001 . 1 . . 349 . . 260 GLU H . 51080 1 402 . 1 . 1 112 112 GLU C C 13 177.138 0.021 . 1 . . 1143 . . 260 GLU C . 51080 1 403 . 1 . 1 112 112 GLU CA C 13 56.959 0.004 . 1 . . 879 . . 260 GLU CA . 51080 1 404 . 1 . 1 112 112 GLU CB C 13 30.264 0.028 . 1 . . 880 . . 260 GLU CB . 51080 1 405 . 1 . 1 112 112 GLU N N 15 121.458 0.008 . 1 . . 350 . . 260 GLU N . 51080 1 406 . 1 . 1 113 113 GLY H H 1 8.457 0.001 . 1 . . 42 . . 261 GLY H . 51080 1 407 . 1 . 1 113 113 GLY C C 13 174.091 0.014 . 1 . . 211 . . 261 GLY C . 51080 1 408 . 1 . 1 113 113 GLY CA C 13 45.241 0.003 . 1 . . 1091 . . 261 GLY CA . 51080 1 409 . 1 . 1 113 113 GLY N N 15 110.307 0.008 . 1 . . 43 . . 261 GLY N . 51080 1 410 . 1 . 1 114 114 GLU H H 1 8.198 0.001 . 1 . . 209 . . 262 GLU H . 51080 1 411 . 1 . 1 114 114 GLU C C 13 176.388 0.012 . 1 . . 356 . . 262 GLU C . 51080 1 412 . 1 . 1 114 114 GLU CA C 13 56.341 0.004 . 1 . . 923 . . 262 GLU CA . 51080 1 413 . 1 . 1 114 114 GLU CB C 13 30.547 0.001 . 1 . . 922 . . 262 GLU CB . 51080 1 414 . 1 . 1 114 114 GLU CG C 13 36.234 . . 1 . . 1210 . . 262 GLU CG . 51080 1 415 . 1 . 1 114 114 GLU N N 15 120.408 0.005 . 1 . . 210 . . 262 GLU N . 51080 1 416 . 1 . 1 115 115 GLU H H 1 8.523 0.001 . 1 . . 354 . . 263 GLU H . 51080 1 417 . 1 . 1 115 115 GLU C C 13 175.96 0.006 . 1 . . 658 . . 263 GLU C . 51080 1 418 . 1 . 1 115 115 GLU CA C 13 56.542 0.024 . 1 . . 821 . . 263 GLU CA . 51080 1 419 . 1 . 1 115 115 GLU CB C 13 30.316 0.039 . 1 . . 820 . . 263 GLU CB . 51080 1 420 . 1 . 1 115 115 GLU CG C 13 36.1 . . 1 . . 1208 . . 263 GLU CG . 51080 1 421 . 1 . 1 115 115 GLU N N 15 121.854 0.005 . 1 . . 355 . . 263 GLU N . 51080 1 422 . 1 . 1 116 116 HIS H H 1 8.36 0.002 . 1 . . 243 . . 264 HIS H . 51080 1 423 . 1 . 1 116 116 HIS C C 13 174.536 . . 1 . . 1209 . . 264 HIS C . 51080 1 424 . 1 . 1 116 116 HIS CA C 13 55.699 . . 1 . . 946 . . 264 HIS CA . 51080 1 425 . 1 . 1 116 116 HIS CB C 13 30.499 . . 1 . . 947 . . 264 HIS CB . 51080 1 426 . 1 . 1 116 116 HIS N N 15 120.756 0.017 . 1 . . 242 . . 264 HIS N . 51080 1 427 . 1 . 1 118 118 PRO C C 13 176.868 . . 1 . . 326 . . 266 PRO C . 51080 1 428 . 1 . 1 118 118 PRO CA C 13 63.092 0.01 . 1 . . 944 . . 266 PRO CA . 51080 1 429 . 1 . 1 118 118 PRO CB C 13 32.098 0.006 . 1 . . 943 . . 266 PRO CB . 51080 1 430 . 1 . 1 118 118 PRO CG C 13 27.222 . . 1 . . 1154 . . 266 PRO CG . 51080 1 431 . 1 . 1 119 119 VAL H H 1 8.351 0.001 . 1 . . 324 . . 267 VAL H . 51080 1 432 . 1 . 1 119 119 VAL C C 13 175.976 0.01 . 1 . . 570 . . 267 VAL C . 51080 1 433 . 1 . 1 119 119 VAL CA C 13 62.207 0.004 . 1 . . 945 . . 267 VAL CA . 51080 1 434 . 1 . 1 119 119 VAL CB C 13 32.857 0.012 . 1 . . 687 . . 267 VAL CB . 51080 1 435 . 1 . 1 119 119 VAL N N 15 120.923 0.006 . 1 . . 325 . . 267 VAL N . 51080 1 436 . 1 . 1 120 120 ALA H H 1 8.43 0.001 . 1 . . 568 . . 268 ALA H . 51080 1 437 . 1 . 1 120 120 ALA C C 13 177.368 0.001 . 1 . . 686 . . 268 ALA C . 51080 1 438 . 1 . 1 120 120 ALA CA C 13 52.341 0.015 . 1 . . 689 . . 268 ALA CA . 51080 1 439 . 1 . 1 120 120 ALA CB C 13 19.482 0.03 . 1 . . 688 . . 268 ALA CB . 51080 1 440 . 1 . 1 120 120 ALA N N 15 127.998 0.009 . 1 . . 569 . . 268 ALA N . 51080 1 441 . 1 . 1 121 121 ASP H H 1 8.39 0.001 . 1 . . 232 . . 269 ASP H . 51080 1 442 . 1 . 1 121 121 ASP C C 13 176.658 0.004 . 1 . . 70 . . 269 ASP C . 51080 1 443 . 1 . 1 121 121 ASP CA C 13 54.425 0.007 . 1 . . 960 . . 269 ASP CA . 51080 1 444 . 1 . 1 121 121 ASP CB C 13 41.136 0.009 . 1 . . 1085 . . 269 ASP CB . 51080 1 445 . 1 . 1 121 121 ASP N N 15 120.453 0.011 . 1 . . 233 . . 269 ASP N . 51080 1 446 . 1 . 1 122 122 THR H H 1 8.091 0.002 . 1 . . 69 . . 270 THR H . 51080 1 447 . 1 . 1 122 122 THR C C 13 174.787 0.002 . 1 . . 613 . . 270 THR C . 51080 1 448 . 1 . 1 122 122 THR CA C 13 62.013 0.025 . 1 . . 1083 . . 270 THR CA . 51080 1 449 . 1 . 1 122 122 THR CB C 13 69.719 0.017 . 1 . . 1084 . . 270 THR CB . 51080 1 450 . 1 . 1 122 122 THR N N 15 113.664 0.006 . 1 . . 68 . . 270 THR N . 51080 1 451 . 1 . 1 123 123 GLU H H 1 8.389 0.001 . 1 . . 472 . . 271 GLU H . 51080 1 452 . 1 . 1 123 123 GLU C C 13 176.17 0.007 . 1 . . 661 . . 271 GLU C . 51080 1 453 . 1 . 1 123 123 GLU CA C 13 56.724 0.017 . 1 . . 971 . . 271 GLU CA . 51080 1 454 . 1 . 1 123 123 GLU CB C 13 30.296 0.023 . 1 . . 972 . . 271 GLU CB . 51080 1 455 . 1 . 1 123 123 GLU CG C 13 36.263 . . 1 . . 1146 . . 271 GLU CG . 51080 1 456 . 1 . 1 123 123 GLU N N 15 122.726 0.011 . 1 . . 473 . . 271 GLU N . 51080 1 457 . 1 . 1 124 124 ASN H H 1 8.454 0.001 . 1 . . 345 . . 272 ASN H . 51080 1 458 . 1 . 1 124 124 ASN C C 13 175.194 0.008 . 1 . . 437 . . 272 ASN C . 51080 1 459 . 1 . 1 124 124 ASN CA C 13 53.341 0.014 . 1 . . 788 . . 272 ASN CA . 51080 1 460 . 1 . 1 124 124 ASN CB C 13 38.806 0.018 . 1 . . 973 . . 272 ASN CB . 51080 1 461 . 1 . 1 124 124 ASN N N 15 120.052 0.01 . 1 . . 346 . . 272 ASN N . 51080 1 462 . 1 . 1 125 125 LYS H H 1 8.382 0.001 . 1 . . 435 . . 273 LYS H . 51080 1 463 . 1 . 1 125 125 LYS C C 13 176.76 0.015 . 1 . . 660 . . 273 LYS C . 51080 1 464 . 1 . 1 125 125 LYS CA C 13 56.367 0.044 . 1 . . 877 . . 273 LYS CA . 51080 1 465 . 1 . 1 125 125 LYS CB C 13 32.949 0.009 . 1 . . 787 . . 273 LYS CB . 51080 1 466 . 1 . 1 125 125 LYS N N 15 122.458 0.007 . 1 . . 436 . . 273 LYS N . 51080 1 467 . 1 . 1 126 126 GLU H H 1 8.498 0.001 . 1 . . 352 . . 274 GLU H . 51080 1 468 . 1 . 1 126 126 GLU C C 13 176.32 0.021 . 1 . . 656 . . 274 GLU C . 51080 1 469 . 1 . 1 126 126 GLU CA C 13 56.888 0.028 . 1 . . 1011 . . 274 GLU CA . 51080 1 470 . 1 . 1 126 126 GLU CB C 13 30.061 0.013 . 1 . . 878 . . 274 GLU CB . 51080 1 471 . 1 . 1 126 126 GLU N N 15 121.539 0.02 . 1 . . 353 . . 274 GLU N . 51080 1 472 . 1 . 1 127 127 ASN H H 1 8.399 0.001 . 1 . . 162 . . 275 ASN H . 51080 1 473 . 1 . 1 127 127 ASN C C 13 175.06 0.007 . 1 . . 376 . . 275 ASN C . 51080 1 474 . 1 . 1 127 127 ASN CA C 13 53.35 0.014 . 1 . . 1010 . . 275 ASN CA . 51080 1 475 . 1 . 1 127 127 ASN CB C 13 39.062 0.007 . 1 . . 873 . . 275 ASN CB . 51080 1 476 . 1 . 1 127 127 ASN N N 15 118.964 0.011 . 1 . . 163 . . 275 ASN N . 51080 1 477 . 1 . 1 128 128 GLU H H 1 8.33 0.001 . 1 . . 374 . . 276 GLU H . 51080 1 478 . 1 . 1 128 128 GLU C C 13 176.298 . . 1 . . 1147 . . 276 GLU C . 51080 1 479 . 1 . 1 128 128 GLU CA C 13 56.661 0.013 . 1 . . 874 . . 276 GLU CA . 51080 1 480 . 1 . 1 128 128 GLU CB C 13 30.348 0.008 . 1 . . 1217 . . 276 GLU CB . 51080 1 481 . 1 . 1 128 128 GLU CG C 13 36.265 . . 1 . . 1215 . . 276 GLU CG . 51080 1 482 . 1 . 1 128 128 GLU N N 15 121.577 0.012 . 1 . . 375 . . 276 GLU N . 51080 1 483 . 1 . 1 129 129 VAL H H 1 8.166 0.001 . 1 . . 315 . . 277 VAL H . 51080 1 484 . 1 . 1 129 129 VAL C C 13 175.98 . . 1 . . 555 . . 277 VAL C . 51080 1 485 . 1 . 1 129 129 VAL CA C 13 62.128 0.022 . 1 . . 713 . . 277 VAL CA . 51080 1 486 . 1 . 1 129 129 VAL CB C 13 32.873 0.038 . 1 . . 712 . . 277 VAL CB . 51080 1 487 . 1 . 1 129 129 VAL CG1 C 13 20.542 . . 2 . . 1167 . . 277 VAL CG1 . 51080 1 488 . 1 . 1 129 129 VAL CG2 C 13 21.158 . . 2 . . 1168 . . 277 VAL CG2 . 51080 1 489 . 1 . 1 129 129 VAL N N 15 121.077 0.002 . 1 . . 316 . . 277 VAL N . 51080 1 490 . 1 . 1 130 130 GLU H H 1 8.447 0.001 . 1 . . 553 . . 278 GLU H . 51080 1 491 . 1 . 1 130 130 GLU C C 13 176.138 0.024 . 1 . . 469 . . 278 GLU C . 51080 1 492 . 1 . 1 130 130 GLU CA C 13 56.359 0.008 . 1 . . 750 . . 278 GLU CA . 51080 1 493 . 1 . 1 130 130 GLU CB C 13 30.573 0.008 . 1 . . 749 . . 278 GLU CB . 51080 1 494 . 1 . 1 130 130 GLU CG C 13 36.27 . . 1 . . 1166 . . 278 GLU CG . 51080 1 495 . 1 . 1 130 130 GLU N N 15 125.219 0.01 . 1 . . 554 . . 278 GLU N . 51080 1 496 . 1 . 1 131 131 GLU H H 1 8.456 0.001 . 1 . . 467 . . 279 GLU H . 51080 1 497 . 1 . 1 131 131 GLU C C 13 176.146 0.008 . 1 . . 514 . . 279 GLU C . 51080 1 498 . 1 . 1 131 131 GLU CA C 13 56.377 0.003 . 1 . . 751 . . 279 GLU CA . 51080 1 499 . 1 . 1 131 131 GLU CB C 13 30.596 0.02 . 1 . . 756 . . 279 GLU CB . 51080 1 500 . 1 . 1 131 131 GLU CG C 13 36.224 . . 1 . . 1165 . . 279 GLU CG . 51080 1 501 . 1 . 1 131 131 GLU N N 15 123.43 0.005 . 1 . . 468 . . 279 GLU N . 51080 1 502 . 1 . 1 132 132 VAL H H 1 8.338 0.001 . 1 . . 512 . . 280 VAL H . 51080 1 503 . 1 . 1 132 132 VAL C C 13 176.006 0.021 . 1 . . 567 . . 280 VAL C . 51080 1 504 . 1 . 1 132 132 VAL CA C 13 62.389 0.001 . 1 . . 694 . . 280 VAL CA . 51080 1 505 . 1 . 1 132 132 VAL CB C 13 32.523 0.021 . 1 . . 757 . . 280 VAL CB . 51080 1 506 . 1 . 1 132 132 VAL CG1 C 13 20.935 . . 1 . . 1164 . . 280 VAL CG1 . 51080 1 507 . 1 . 1 132 132 VAL N N 15 123.338 0.008 . 1 . . 513 . . 280 VAL N . 51080 1 508 . 1 . 1 133 133 LYS H H 1 8.482 0.001 . 1 . . 565 . . 281 LYS H . 51080 1 509 . 1 . 1 133 133 LYS C C 13 176.257 0.015 . 1 . . 685 . . 281 LYS C . 51080 1 510 . 1 . 1 133 133 LYS CA C 13 55.856 0.003 . 1 . . 695 . . 281 LYS CA . 51080 1 511 . 1 . 1 133 133 LYS CB C 13 33.276 0.008 . 1 . . 761 . . 281 LYS CB . 51080 1 512 . 1 . 1 133 133 LYS CG C 13 24.583 . . 1 . . 1149 . . 281 LYS CG . 51080 1 513 . 1 . 1 133 133 LYS N N 15 126.583 0.004 . 1 . . 566 . . 281 LYS N . 51080 1 514 . 1 . 1 134 134 GLU H H 1 8.489 0.001 . 1 . . 453 . . 282 GLU H . 51080 1 515 . 1 . 1 134 134 GLU C C 13 176.225 0.001 . 1 . . 449 . . 282 GLU C . 51080 1 516 . 1 . 1 134 134 GLU CA C 13 56.358 0.002 . 1 . . 763 . . 282 GLU CA . 51080 1 517 . 1 . 1 134 134 GLU CB C 13 30.462 0.009 . 1 . . 762 . . 282 GLU CB . 51080 1 518 . 1 . 1 134 134 GLU CG C 13 36.211 . . 1 . . 1150 . . 282 GLU CG . 51080 1 519 . 1 . 1 134 134 GLU N N 15 123.073 0.005 . 1 . . 454 . . 282 GLU N . 51080 1 520 . 1 . 1 135 135 GLU H H 1 8.523 0.001 . 1 . . 447 . . 283 GLU H . 51080 1 521 . 1 . 1 135 135 GLU C C 13 176.479 0.012 . 1 . . 668 . . 283 GLU C . 51080 1 522 . 1 . 1 135 135 GLU CA C 13 56.419 0.017 . 1 . . 789 . . 283 GLU CA . 51080 1 523 . 1 . 1 135 135 GLU CB C 13 30.82 0.011 . 1 . . 1092 . . 283 GLU CB . 51080 1 524 . 1 . 1 135 135 GLU N N 15 122.878 0.004 . 1 . . 448 . . 283 GLU N . 51080 1 525 . 1 . 1 136 136 GLY H H 1 8.286 0.001 . 1 . . 60 . . 284 GLY H . 51080 1 526 . 1 . 1 136 136 GLY C C 13 171.481 . . 1 . . 609 . . 284 GLY C . 51080 1 527 . 1 . 1 136 136 GLY CA C 13 44.374 . . 1 . . 1093 . . 284 GLY CA . 51080 1 528 . 1 . 1 136 136 GLY N N 15 110.245 0.007 . 1 . . 61 . . 284 GLY N . 51080 1 529 . 1 . 1 137 137 PRO C C 13 177.105 . . 1 . . 419 . . 285 PRO C . 51080 1 530 . 1 . 1 137 137 PRO CA C 13 62.951 0.004 . 1 . . 810 . . 285 PRO CA . 51080 1 531 . 1 . 1 137 137 PRO CB C 13 32.119 0.01 . 1 . . 809 . . 285 PRO CB . 51080 1 532 . 1 . 1 138 138 LYS H H 1 8.441 0.001 . 1 . . 417 . . 286 LYS H . 51080 1 533 . 1 . 1 138 138 LYS C C 13 176.657 . . 1 . . 1216 . . 286 LYS C . 51080 1 534 . 1 . 1 138 138 LYS CA C 13 56.257 . . 1 . . 825 . . 286 LYS CA . 51080 1 535 . 1 . 1 138 138 LYS CB C 13 33.198 . . 1 . . 828 . . 286 LYS CB . 51080 1 536 . 1 . 1 138 138 LYS N N 15 121.859 0.011 . 1 . . 418 . . 286 LYS N . 51080 1 537 . 1 . 1 139 139 GLU C C 13 176.187 . . 1 . . 392 . . 287 GLU C . 51080 1 538 . 1 . 1 139 139 GLU CA C 13 56.502 . . 1 . . 840 . . 287 GLU CA . 51080 1 539 . 1 . 1 139 139 GLU CB C 13 30.224 . . 1 . . 841 . . 287 GLU CB . 51080 1 540 . 1 . 1 139 139 GLU CG C 13 36.202 . . 1 . . 1207 . . 287 GLU CG . 51080 1 541 . 1 . 1 140 140 MET H H 1 8.333 0.001 . 1 . . 390 . . 288 MET H . 51080 1 542 . 1 . 1 140 140 MET C C 13 176.278 0.024 . 1 . . 84 . . 288 MET C . 51080 1 543 . 1 . 1 140 140 MET CA C 13 55.557 0.019 . 1 . . 1074 . . 288 MET CA . 51080 1 544 . 1 . 1 140 140 MET CB C 13 34.308 0.035 . 1 . . 1075 . . 288 MET CB . 51080 1 545 . 1 . 1 140 140 MET N N 15 121.821 0.014 . 1 . . 391 . . 288 MET N . 51080 1 546 . 1 . 1 141 141 THR H H 1 8.571 0.001 . 1 . . 83 . . 289 THR H . 51080 1 547 . 1 . 1 141 141 THR C C 13 175.263 0.011 . 1 . . 457 . . 289 THR C . 51080 1 548 . 1 . 1 141 141 THR CA C 13 61.394 0.024 . 1 . . 758 . . 289 THR CA . 51080 1 549 . 1 . 1 141 141 THR CB C 13 70.696 0.036 . 1 . . 1073 . . 289 THR CB . 51080 1 550 . 1 . 1 141 141 THR CG2 C 13 21.876 . . 1 . . 1135 . . 289 THR CG2 . 51080 1 551 . 1 . 1 141 141 THR N N 15 115.026 0.011 . 1 . . 82 . . 289 THR N . 51080 1 552 . 1 . 1 142 142 LEU H H 1 8.655 0.002 . 1 . . 455 . . 290 LEU H . 51080 1 553 . 1 . 1 142 142 LEU C C 13 178.527 0.006 . 1 . . 673 . . 290 LEU C . 51080 1 554 . 1 . 1 142 142 LEU CA C 13 57.409 0.009 . 1 . . 759 . . 290 LEU CA . 51080 1 555 . 1 . 1 142 142 LEU CB C 13 41.639 0.023 . 1 . . 760 . . 290 LEU CB . 51080 1 556 . 1 . 1 142 142 LEU N N 15 123.128 0.011 . 1 . . 456 . . 290 LEU N . 51080 1 557 . 1 . 1 143 143 ASP H H 1 8.326 0.001 . 1 . . 150 . . 291 ASP H . 51080 1 558 . 1 . 1 143 143 ASP C C 13 178.602 0.004 . 1 . . 621 . . 291 ASP C . 51080 1 559 . 1 . 1 143 143 ASP CA C 13 56.781 0.014 . 1 . . 1148 . . 291 ASP CA . 51080 1 560 . 1 . 1 143 143 ASP CB C 13 40.675 0.006 . 1 . . 858 . . 291 ASP CB . 51080 1 561 . 1 . 1 143 143 ASP N N 15 118.189 0.007 . 1 . . 151 . . 291 ASP N . 51080 1 562 . 1 . 1 144 144 GLU H H 1 8.009 0.002 . 1 . . 279 . . 292 GLU H . 51080 1 563 . 1 . 1 144 144 GLU C C 13 178.224 0.005 . 1 . . 640 . . 292 GLU C . 51080 1 564 . 1 . 1 144 144 GLU CA C 13 58.745 0.001 . 1 . . 859 . . 292 GLU CA . 51080 1 565 . 1 . 1 144 144 GLU CB C 13 29.983 0.02 . 1 . . 857 . . 292 GLU CB . 51080 1 566 . 1 . 1 144 144 GLU N N 15 121.555 0.003 . 1 . . 280 . . 292 GLU N . 51080 1 567 . 1 . 1 145 145 TRP H H 1 8.347 0.001 . 1 . . 327 . . 293 TRP H . 51080 1 568 . 1 . 1 145 145 TRP C C 13 178.135 0.009 . 1 . . 175 . . 293 TRP C . 51080 1 569 . 1 . 1 145 145 TRP CA C 13 59.783 0.009 . 1 . . 893 . . 293 TRP CA . 51080 1 570 . 1 . 1 145 145 TRP CB C 13 29.329 0.041 . 1 . . 892 . . 293 TRP CB . 51080 1 571 . 1 . 1 145 145 TRP N N 15 121.197 0.005 . 1 . . 328 . . 293 TRP N . 51080 1 572 . 1 . 1 146 146 LYS H H 1 8.39 0.002 . 1 . . 173 . . 294 LYS H . 51080 1 573 . 1 . 1 146 146 LYS C C 13 177.973 0.016 . 1 . . 626 . . 294 LYS C . 51080 1 574 . 1 . 1 146 146 LYS CA C 13 58.748 0.001 . 1 . . 1001 . . 294 LYS CA . 51080 1 575 . 1 . 1 146 146 LYS CB C 13 32.593 0.025 . 1 . . 1002 . . 294 LYS CB . 51080 1 576 . 1 . 1 146 146 LYS N N 15 119.516 0.01 . 1 . . 174 . . 294 LYS N . 51080 1 577 . 1 . 1 147 147 ALA H H 1 7.643 0.001 . 1 . . 267 . . 295 ALA H . 51080 1 578 . 1 . 1 147 147 ALA C C 13 179.545 0.003 . 1 . . 146 . . 295 ALA C . 51080 1 579 . 1 . 1 147 147 ALA CA C 13 54.018 0.02 . 1 . . 951 . . 295 ALA CA . 51080 1 580 . 1 . 1 147 147 ALA CB C 13 18.409 0.009 . 1 . . 950 . . 295 ALA CB . 51080 1 581 . 1 . 1 147 147 ALA N N 15 121.004 0.005 . 1 . . 268 . . 295 ALA N . 51080 1 582 . 1 . 1 148 148 ILE H H 1 7.663 0.001 . 1 . . 144 . . 296 ILE H . 51080 1 583 . 1 . 1 148 148 ILE C C 13 177.484 0.011 . 1 . . 262 . . 296 ILE C . 51080 1 584 . 1 . 1 148 148 ILE CA C 13 62.949 0.003 . 1 . . 952 . . 296 ILE CA . 51080 1 585 . 1 . 1 148 148 ILE CB C 13 38.221 0.01 . 1 . . 903 . . 296 ILE CB . 51080 1 586 . 1 . 1 148 148 ILE N N 15 118.124 0.009 . 1 . . 145 . . 296 ILE N . 51080 1 587 . 1 . 1 149 149 GLN H H 1 7.955 0.001 . 1 . . 260 . . 297 GLN H . 51080 1 588 . 1 . 1 149 149 GLN C C 13 176.832 0.015 . 1 . . 140 . . 297 GLN C . 51080 1 589 . 1 . 1 149 149 GLN CA C 13 56.838 . . 1 . . 904 . . 297 GLN CA . 51080 1 590 . 1 . 1 149 149 GLN CB C 13 28.726 0.067 . 1 . . 905 . . 297 GLN CB . 51080 1 591 . 1 . 1 149 149 GLN N N 15 120.724 0.007 . 1 . . 261 . . 297 GLN N . 51080 1 592 . 1 . 1 150 150 ASN H H 1 8.111 0.002 . 1 . . 138 . . 298 ASN H . 51080 1 593 . 1 . 1 150 150 ASN C C 13 175.959 . . 1 . . 617 . . 298 ASN C . 51080 1 594 . 1 . 1 150 150 ASN CA C 13 53.831 . . 1 . . 1033 . . 298 ASN CA . 51080 1 595 . 1 . 1 150 150 ASN CB C 13 38.67 . . 1 . . 1032 . . 298 ASN CB . 51080 1 596 . 1 . 1 150 150 ASN N N 15 117.827 0.015 . 1 . . 139 . . 298 ASN N . 51080 1 597 . 1 . 1 151 151 LYS C C 13 176.881 . . 1 . . 208 . . 299 LYS C . 51080 1 598 . 1 . 1 151 151 LYS CA C 13 57.499 . . 1 . . 983 . . 299 LYS CA . 51080 1 599 . 1 . 1 151 151 LYS CB C 13 32.572 . . 1 . . 984 . . 299 LYS CB . 51080 1 600 . 1 . 1 152 152 ASP H H 1 8.239 0.001 . 1 . . 206 . . 300 ASP H . 51080 1 601 . 1 . 1 152 152 ASP C C 13 176.766 0.01 . 1 . . 632 . . 300 ASP C . 51080 1 602 . 1 . 1 152 152 ASP CA C 13 55.056 0.011 . 1 . . 909 . . 300 ASP CA . 51080 1 603 . 1 . 1 152 152 ASP CB C 13 40.966 0.005 . 1 . . 908 . . 300 ASP CB . 51080 1 604 . 1 . 1 152 152 ASP N N 15 120.284 0.01 . 1 . . 207 . . 300 ASP N . 51080 1 605 . 1 . 1 153 153 ARG H H 1 8.041 0.001 . 1 . . 264 . . 301 ARG H . 51080 1 606 . 1 . 1 153 153 ARG C C 13 176.413 0.029 . 1 . . 520 . . 301 ARG C . 51080 1 607 . 1 . 1 153 153 ARG CA C 13 56.712 0.023 . 1 . . 743 . . 301 ARG CA . 51080 1 608 . 1 . 1 153 153 ARG CB C 13 30.503 0.071 . 1 . . 742 . . 301 ARG CB . 51080 1 609 . 1 . 1 153 153 ARG N N 15 120.89 0.014 . 1 . . 263 . . 301 ARG N . 51080 1 610 . 1 . 1 154 154 ALA H H 1 8.159 0.001 . 1 . . 518 . . 302 ALA H . 51080 1 611 . 1 . 1 154 154 ALA C C 13 177.968 0.002 . 1 . . 1140 . . 302 ALA C . 51080 1 612 . 1 . 1 154 154 ALA CA C 13 52.877 0.008 . 1 . . 744 . . 302 ALA CA . 51080 1 613 . 1 . 1 154 154 ALA CB C 13 19.053 0.003 . 1 . . 745 . . 302 ALA CB . 51080 1 614 . 1 . 1 154 154 ALA N N 15 123.451 0.006 . 1 . . 519 . . 302 ALA N . 51080 1 615 . 1 . 1 155 155 LYS H H 1 8.061 0.001 . 1 . . 196 . . 303 LYS H . 51080 1 616 . 1 . 1 155 155 LYS C C 13 176.754 0.006 . 1 . . 629 . . 303 LYS C . 51080 1 617 . 1 . 1 155 155 LYS CA C 13 56.678 0.002 . 1 . . 991 . . 303 LYS CA . 51080 1 618 . 1 . 1 155 155 LYS CB C 13 32.87 0.02 . 1 . . 906 . . 303 LYS CB . 51080 1 619 . 1 . 1 155 155 LYS N N 15 119.874 0.003 . 1 . . 197 . . 303 LYS N . 51080 1 620 . 1 . 1 156 156 VAL H H 1 7.993 0.001 . 1 . . 256 . . 304 VAL H . 51080 1 621 . 1 . 1 156 156 VAL C C 13 176.065 0.034 . 1 . . 526 . . 304 VAL C . 51080 1 622 . 1 . 1 156 156 VAL CA C 13 62.552 0.021 . 1 . . 907 . . 304 VAL CA . 51080 1 623 . 1 . 1 156 156 VAL CB C 13 32.691 0.011 . 1 . . 740 . . 304 VAL CB . 51080 1 624 . 1 . 1 156 156 VAL N N 15 120.798 0.003 . 1 . . 255 . . 304 VAL N . 51080 1 625 . 1 . 1 157 157 GLU H H 1 8.365 0.001 . 1 . . 524 . . 305 GLU H . 51080 1 626 . 1 . 1 157 157 GLU C C 13 176.084 0.008 . 1 . . 672 . . 305 GLU C . 51080 1 627 . 1 . 1 157 157 GLU CA C 13 56.514 0.01 . 1 . . 739 . . 305 GLU CA . 51080 1 628 . 1 . 1 157 157 GLU CB C 13 30.431 0.002 . 1 . . 738 . . 305 GLU CB . 51080 1 629 . 1 . 1 157 157 GLU CG C 13 36.254 . . 1 . . 1184 . . 305 GLU CG . 51080 1 630 . 1 . 1 157 157 GLU N N 15 123.769 0.005 . 1 . . 525 . . 305 GLU N . 51080 1 631 . 1 . 1 158 158 PHE H H 1 8.183 0.001 . 1 . . 307 . . 306 PHE H . 51080 1 632 . 1 . 1 158 158 PHE C C 13 175.359 0.004 . 1 . . 1186 . . 306 PHE C . 51080 1 633 . 1 . 1 158 158 PHE CA C 13 57.898 0.018 . 1 . . 929 . . 306 PHE CA . 51080 1 634 . 1 . 1 158 158 PHE CB C 13 39.69 0.003 . 1 . . 930 . . 306 PHE CB . 51080 1 635 . 1 . 1 158 158 PHE N N 15 120.929 0.011 . 1 . . 306 . . 306 PHE N . 51080 1 636 . 1 . 1 159 159 ASN H H 1 8.36 0.001 . 1 . . 338 . . 307 ASN H . 51080 1 637 . 1 . 1 159 159 ASN C C 13 174.764 0.009 . 1 . . 259 . . 307 ASN C . 51080 1 638 . 1 . 1 159 159 ASN CA C 13 53.234 0.002 . 1 . . 968 . . 307 ASN CA . 51080 1 639 . 1 . 1 159 159 ASN CB C 13 39.043 0.065 . 1 . . 967 . . 307 ASN CB . 51080 1 640 . 1 . 1 159 159 ASN N N 15 120.223 0.018 . 1 . . 339 . . 307 ASN N . 51080 1 641 . 1 . 1 160 160 ILE H H 1 7.997 0.003 . 1 . . 258 . . 308 ILE H . 51080 1 642 . 1 . 1 160 160 ILE C C 13 176.008 0.019 . 1 . . 543 . . 308 ILE C . 51080 1 643 . 1 . 1 160 160 ILE CA C 13 61.292 0.023 . 1 . . 716 . . 308 ILE CA . 51080 1 644 . 1 . 1 160 160 ILE CB C 13 38.669 0.053 . 1 . . 715 . . 308 ILE CB . 51080 1 645 . 1 . 1 160 160 ILE N N 15 120.793 0.004 . 1 . . 257 . . 308 ILE N . 51080 1 646 . 1 . 1 161 161 ARG H H 1 8.287 0.001 . 1 . . 541 . . 309 ARG H . 51080 1 647 . 1 . 1 161 161 ARG C C 13 175.909 0.009 . 1 . . 1187 . . 309 ARG C . 51080 1 648 . 1 . 1 161 161 ARG CA C 13 55.815 0.015 . 1 . . 717 . . 309 ARG CA . 51080 1 649 . 1 . 1 161 161 ARG CB C 13 30.773 0.012 . 1 . . 718 . . 309 ARG CB . 51080 1 650 . 1 . 1 161 161 ARG N N 15 124.774 0.009 . 1 . . 542 . . 309 ARG N . 51080 1 651 . 1 . 1 162 162 LYS H H 1 8.378 0.001 . 1 . . 529 . . 310 LYS H . 51080 1 652 . 1 . 1 162 162 LYS C C 13 174.624 . . 1 . . 677 . . 310 LYS C . 51080 1 653 . 1 . 1 162 162 LYS CA C 13 54.263 . . 1 . . 736 . . 310 LYS CA . 51080 1 654 . 1 . 1 162 162 LYS CB C 13 32.342 . . 1 . . 735 . . 310 LYS CB . 51080 1 655 . 1 . 1 162 162 LYS N N 15 124.207 0.006 . 1 . . 530 . . 310 LYS N . 51080 1 656 . 1 . 1 163 163 PRO C C 13 176.752 . . 1 . . 132 . . 311 PRO C . 51080 1 657 . 1 . 1 163 163 PRO CA C 13 63.495 . . 1 . . 1041 . . 311 PRO CA . 51080 1 658 . 1 . 1 163 163 PRO CB C 13 32.021 . . 1 . . 1042 . . 311 PRO CB . 51080 1 659 . 1 . 1 164 164 ASN H H 1 8.513 0.002 . 1 . . 130 . . 312 ASN H . 51080 1 660 . 1 . 1 164 164 ASN C C 13 175.227 0.01 . 1 . . 1142 . . 312 ASN C . 51080 1 661 . 1 . 1 164 164 ASN CA C 13 53.399 0.013 . 1 . . 1044 . . 312 ASN CA . 51080 1 662 . 1 . 1 164 164 ASN CB C 13 38.586 . . 1 . . 1043 . . 312 ASN CB . 51080 1 663 . 1 . 1 164 164 ASN N N 15 117.916 0.006 . 1 . . 131 . . 312 ASN N . 51080 1 664 . 1 . 1 165 165 GLU H H 1 8.278 0.001 . 1 . . 359 . . 313 GLU H . 51080 1 665 . 1 . 1 165 165 GLU C C 13 176.915 0.018 . 1 . . 1188 . . 313 GLU C . 51080 1 666 . 1 . 1 165 165 GLU CA C 13 56.855 0.02 . 1 . . 1102 . . 313 GLU CA . 51080 1 667 . 1 . 1 165 165 GLU CB C 13 30.313 0.012 . 1 . . 1103 . . 313 GLU CB . 51080 1 668 . 1 . 1 165 165 GLU N N 15 121.217 0.014 . 1 . . 360 . . 313 GLU N . 51080 1 669 . 1 . 1 166 166 GLY H H 1 8.435 0.001 . 1 . . 44 . . 314 GLY H . 51080 1 670 . 1 . 1 166 166 GLY C C 13 174.251 0.014 . 1 . . 523 . . 314 GLY C . 51080 1 671 . 1 . 1 166 166 GLY CA C 13 45.279 0.008 . 1 . . 1104 . . 314 GLY CA . 51080 1 672 . 1 . 1 166 166 GLY N N 15 109.864 0.01 . 1 . . 45 . . 314 GLY N . 51080 1 673 . 1 . 1 167 167 ALA H H 1 8.202 0.001 . 1 . . 521 . . 315 ALA H . 51080 1 674 . 1 . 1 167 167 ALA C C 13 177.732 0.01 . 1 . . 675 . . 315 ALA C . 51080 1 675 . 1 . 1 167 167 ALA CA C 13 52.793 0.01 . 1 . . 1014 . . 315 ALA CA . 51080 1 676 . 1 . 1 167 167 ALA CB C 13 19.288 0.018 . 1 . . 741 . . 315 ALA CB . 51080 1 677 . 1 . 1 167 167 ALA N N 15 123.796 0.003 . 1 . . 522 . . 315 ALA N . 51080 1 678 . 1 . 1 168 168 ASP H H 1 8.362 0.002 . 1 . . 160 . . 316 ASP H . 51080 1 679 . 1 . 1 168 168 ASP C C 13 176.998 0.019 . 1 . . 624 . . 316 ASP C . 51080 1 680 . 1 . 1 168 168 ASP CA C 13 54.507 0.031 . 1 . . 1013 . . 316 ASP CA . 51080 1 681 . 1 . 1 168 168 ASP CB C 13 41.136 0.003 . 1 . . 1012 . . 316 ASP CB . 51080 1 682 . 1 . 1 168 168 ASP N N 15 118.801 0.009 . 1 . . 161 . . 316 ASP N . 51080 1 683 . 1 . 1 169 169 GLY H H 1 8.215 0.001 . 1 . . 1 . . 317 GLY H . 51080 1 684 . 1 . 1 169 169 GLY C C 13 174.678 0.014 . 1 . . 1161 . . 317 GLY C . 51080 1 685 . 1 . 1 169 169 GLY CA C 13 45.732 0.02 . 1 . . 1121 . . 317 GLY CA . 51080 1 686 . 1 . 1 169 169 GLY N N 15 108.629 0.003 . 1 . . 2 . . 317 GLY N . 51080 1 687 . 1 . 1 170 170 GLN H H 1 8.171 0.002 . 1 . . 185 . . 318 GLN H . 51080 1 688 . 1 . 1 170 170 GLN C C 13 176.068 0.003 . 1 . . 628 . . 318 GLN C . 51080 1 689 . 1 . 1 170 170 GLN CA C 13 56.423 0.019 . 1 . . 993 . . 318 GLN CA . 51080 1 690 . 1 . 1 170 170 GLN CB C 13 28.964 0.021 . 1 . . 992 . . 318 GLN CB . 51080 1 691 . 1 . 1 170 170 GLN CG C 13 33.611 . . 1 . . 1162 . . 318 GLN CG . 51080 1 692 . 1 . 1 170 170 GLN N N 15 119.663 0.005 . 1 . . 186 . . 318 GLN N . 51080 1 693 . 1 . 1 171 171 TRP H H 1 8.047 0.001 . 1 . . 266 . . 319 TRP H . 51080 1 694 . 1 . 1 171 171 TRP C C 13 176.368 0.01 . 1 . . 492 . . 319 TRP C . 51080 1 695 . 1 . 1 171 171 TRP CA C 13 57.344 0.011 . 1 . . 910 . . 319 TRP CA . 51080 1 696 . 1 . 1 171 171 TRP CB C 13 29.154 0.035 . 1 . . 911 . . 319 TRP CB . 51080 1 697 . 1 . 1 171 171 TRP N N 15 120.982 0.003 . 1 . . 265 . . 319 TRP N . 51080 1 698 . 1 . 1 172 172 LYS H H 1 7.849 0.001 . 1 . . 490 . . 320 LYS H . 51080 1 699 . 1 . 1 172 172 LYS C C 13 176.295 0.001 . 1 . . 278 . . 320 LYS C . 51080 1 700 . 1 . 1 172 172 LYS CA C 13 56.491 0.01 . 1 . . 791 . . 320 LYS CA . 51080 1 701 . 1 . 1 172 172 LYS CB C 13 32.983 0.001 . 1 . . 790 . . 320 LYS CB . 51080 1 702 . 1 . 1 172 172 LYS N N 15 122.475 0.007 . 1 . . 491 . . 320 LYS N . 51080 1 703 . 1 . 1 173 173 LYS H H 1 8.049 0.001 . 1 . . 276 . . 321 LYS H . 51080 1 704 . 1 . 1 173 173 LYS C C 13 177.093 0.049 . 1 . . 53 . . 321 LYS C . 51080 1 705 . 1 . 1 173 173 LYS CA C 13 56.88 0.01 . 1 . . 855 . . 321 LYS CA . 51080 1 706 . 1 . 1 173 173 LYS CB C 13 32.753 0.028 . 1 . . 856 . . 321 LYS CB . 51080 1 707 . 1 . 1 173 173 LYS N N 15 121.569 0.005 . 1 . . 277 . . 321 LYS N . 51080 1 708 . 1 . 1 174 174 GLY H H 1 8.317 0.002 . 1 . . 51 . . 322 GLY H . 51080 1 709 . 1 . 1 174 174 GLY C C 13 173.665 . . 1 . . 254 . . 322 GLY C . 51080 1 710 . 1 . 1 174 174 GLY CA C 13 45.155 0.004 . 1 . . 986 . . 322 GLY CA . 51080 1 711 . 1 . 1 174 174 GLY N N 15 109.704 0.008 . 1 . . 52 . . 322 GLY N . 51080 1 712 . 1 . 1 175 175 PHE H H 1 7.991 0.001 . 1 . . 253 . . 323 PHE H . 51080 1 713 . 1 . 1 175 175 PHE C C 13 175.345 0.004 . 1 . . 500 . . 323 PHE C . 51080 1 714 . 1 . 1 175 175 PHE CA C 13 57.839 0.008 . 1 . . 771 . . 323 PHE CA . 51080 1 715 . 1 . 1 175 175 PHE CB C 13 39.777 0.008 . 1 . . 987 . . 323 PHE CB . 51080 1 716 . 1 . 1 175 175 PHE N N 15 120.269 0.018 . 1 . . 252 . . 323 PHE N . 51080 1 717 . 1 . 1 176 176 VAL H H 1 7.968 0.001 . 1 . . 498 . . 324 VAL H . 51080 1 718 . 1 . 1 176 176 VAL C C 13 175.214 0.013 . 1 . . 578 . . 324 VAL C . 51080 1 719 . 1 . 1 176 176 VAL CA C 13 61.961 0.026 . 1 . . 699 . . 324 VAL CA . 51080 1 720 . 1 . 1 176 176 VAL CB C 13 33.147 0.034 . 1 . . 772 . . 324 VAL CB . 51080 1 721 . 1 . 1 176 176 VAL N N 15 122.793 0.006 . 1 . . 499 . . 324 VAL N . 51080 1 722 . 1 . 1 177 177 LEU H H 1 8.178 0.001 . 1 . . 576 . . 325 LEU H . 51080 1 723 . 1 . 1 177 177 LEU C C 13 176.735 . . 1 . . 682 . . 325 LEU C . 51080 1 724 . 1 . 1 177 177 LEU CA C 13 55.079 . . 1 . . 701 . . 325 LEU CA . 51080 1 725 . 1 . 1 177 177 LEU CB C 13 42.507 . . 1 . . 700 . . 325 LEU CB . 51080 1 726 . 1 . 1 177 177 LEU N N 15 126.158 0.006 . 1 . . 577 . . 325 LEU N . 51080 1 727 . 1 . 1 179 179 LYS C C 13 176.458 . . 1 . . 129 . . 327 LYS C . 51080 1 728 . 1 . 1 179 179 LYS CA C 13 56.359 . . 1 . . 1045 . . 327 LYS CA . 51080 1 729 . 1 . 1 180 180 SER H H 1 8.488 0.009 . 1 . . 127 . . 328 SER H . 51080 1 730 . 1 . 1 180 180 SER C C 13 174.718 . . 1 . . 466 . . 328 SER C . 51080 1 731 . 1 . 1 180 180 SER CA C 13 58.551 . . 1 . . 752 . . 328 SER CA . 51080 1 732 . 1 . 1 180 180 SER CB C 13 63.852 . . 1 . . 753 . . 328 SER CB . 51080 1 733 . 1 . 1 180 180 SER N N 15 117.708 0.009 . 1 . . 128 . . 328 SER N . 51080 1 734 . 1 . 1 181 181 LYS H H 1 8.503 0.002 . 1 . . 464 . . 329 LYS H . 51080 1 735 . 1 . 1 181 181 LYS C C 13 176.966 0.015 . 1 . . 112 . . 329 LYS C . 51080 1 736 . 1 . 1 181 181 LYS CA C 13 56.697 0.02 . 1 . . 1048 . . 329 LYS CA . 51080 1 737 . 1 . 1 181 181 LYS CB C 13 32.818 . . 1 . . 1049 . . 329 LYS CB . 51080 1 738 . 1 . 1 181 181 LYS N N 15 123.448 0.005 . 1 . . 465 . . 329 LYS N . 51080 1 739 . 1 . 1 182 182 SER H H 1 8.371 0.003 . 1 . . 110 . . 330 SER H . 51080 1 740 . 1 . 1 182 182 SER C C 13 174.807 0.004 . 1 . . 440 . . 330 SER C . 51080 1 741 . 1 . 1 182 182 SER CA C 13 58.812 0.039 . 1 . . 779 . . 330 SER CA . 51080 1 742 . 1 . 1 182 182 SER CB C 13 63.623 0.023 . 1 . . 780 . . 330 SER CB . 51080 1 743 . 1 . 1 182 182 SER N N 15 116.862 0.007 . 1 . . 111 . . 330 SER N . 51080 1 744 . 1 . 1 183 183 GLU H H 1 8.434 0.001 . 1 . . 438 . . 331 GLU H . 51080 1 745 . 1 . 1 183 183 GLU C C 13 176.667 0.001 . 1 . . 662 . . 331 GLU C . 51080 1 746 . 1 . 1 183 183 GLU CA C 13 56.85 0.002 . 1 . . 885 . . 331 GLU CA . 51080 1 747 . 1 . 1 183 183 GLU CB C 13 30.241 0.005 . 1 . . 886 . . 331 GLU CB . 51080 1 748 . 1 . 1 183 183 GLU CG C 13 36.282 . . 1 . . 1191 . . 331 GLU CG . 51080 1 749 . 1 . 1 183 183 GLU N N 15 122.582 0.013 . 1 . . 439 . . 331 GLU N . 51080 1 750 . 1 . 1 184 184 GLU H H 1 8.284 0.002 . 1 . . 381 . . 332 GLU H . 51080 1 751 . 1 . 1 184 184 GLU C C 13 176.223 . . 1 . . 546 . . 332 GLU C . 51080 1 752 . 1 . 1 184 184 GLU CA C 13 56.652 0.003 . 1 . . 720 . . 332 GLU CA . 51080 1 753 . 1 . 1 184 184 GLU CB C 13 30.292 0.02 . 1 . . 719 . . 332 GLU CB . 51080 1 754 . 1 . 1 184 184 GLU CG C 13 36.264 . . 1 . . 1153 . . 332 GLU CG . 51080 1 755 . 1 . 1 184 184 GLU N N 15 121.443 0.008 . 1 . . 380 . . 332 GLU N . 51080 1 756 . 1 . 1 185 185 ALA H H 1 8.22 0.001 . 1 . . 545 . . 333 ALA H . 51080 1 757 . 1 . 1 185 185 ALA C C 13 177.5 0.007 . 1 . . 159 . . 333 ALA C . 51080 1 758 . 1 . 1 185 185 ALA CA C 13 52.565 0.018 . 1 . . 1016 . . 333 ALA CA . 51080 1 759 . 1 . 1 185 185 ALA CB C 13 19.192 0.005 . 1 . . 1015 . . 333 ALA CB . 51080 1 760 . 1 . 1 185 185 ALA N N 15 124.656 0.005 . 1 . . 544 . . 333 ALA N . 51080 1 761 . 1 . 1 186 186 HIS H H 1 8.312 0.001 . 1 . . 157 . . 334 HIS H . 51080 1 762 . 1 . 1 186 186 HIS C C 13 174.987 0.015 . 1 . . 584 . . 334 HIS C . 51080 1 763 . 1 . 1 186 186 HIS CA C 13 55.713 0.008 . 1 . . 1017 . . 334 HIS CA . 51080 1 764 . 1 . 1 186 186 HIS CB C 13 30.194 0.003 . 1 . . 1018 . . 334 HIS CB . 51080 1 765 . 1 . 1 186 186 HIS N N 15 118.587 0.006 . 1 . . 158 . . 334 HIS N . 51080 1 766 . 1 . 1 187 187 ALA H H 1 8.315 0.005 . 1 . . 582 . . 335 ALA H . 51080 1 767 . 1 . 1 187 187 ALA C C 13 177.936 0.002 . 1 . . 681 . . 335 ALA C . 51080 1 768 . 1 . 1 187 187 ALA CA C 13 52.758 0.009 . 1 . . 704 . . 335 ALA CA . 51080 1 769 . 1 . 1 187 187 ALA CB C 13 19.33 0.007 . 1 . . 974 . . 335 ALA CB . 51080 1 770 . 1 . 1 187 187 ALA N N 15 125.755 0.014 . 1 . . 583 . . 335 ALA N . 51080 1 771 . 1 . 1 188 188 GLU H H 1 8.598 0.001 . 1 . . 348 . . 336 GLU H . 51080 1 772 . 1 . 1 188 188 GLU C C 13 176.461 0.001 . 1 . . 323 . . 336 GLU C . 51080 1 773 . 1 . 1 188 188 GLU CA C 13 56.858 0.01 . 1 . . 975 . . 336 GLU CA . 51080 1 774 . 1 . 1 188 188 GLU CB C 13 30.123 0.007 . 1 . . 976 . . 336 GLU CB . 51080 1 775 . 1 . 1 188 188 GLU CG C 13 36.221 . . 1 . . 1158 . . 336 GLU CG . 51080 1 776 . 1 . 1 188 188 GLU N N 15 120.09 0.007 . 1 . . 347 . . 336 GLU N . 51080 1 777 . 1 . 1 189 189 ASP H H 1 8.32 0.001 . 1 . . 321 . . 337 ASP H . 51080 1 778 . 1 . 1 189 189 ASP C C 13 176.447 0.01 . 1 . . 636 . . 337 ASP C . 51080 1 779 . 1 . 1 189 189 ASP CA C 13 54.599 0.006 . 1 . . 1063 . . 337 ASP CA . 51080 1 780 . 1 . 1 189 189 ASP CB C 13 41.141 0.005 . 1 . . 942 . . 337 ASP CB . 51080 1 781 . 1 . 1 189 189 ASP N N 15 120.966 0.008 . 1 . . 322 . . 337 ASP N . 51080 1 782 . 1 . 1 190 190 SER H H 1 8.206 0.001 . 1 . . 88 . . 338 SER H . 51080 1 783 . 1 . 1 190 190 SER C C 13 174.728 0.01 . 1 . . 293 . . 338 SER C . 51080 1 784 . 1 . 1 190 190 SER CA C 13 58.614 0.004 . 1 . . 1061 . . 338 SER CA . 51080 1 785 . 1 . 1 190 190 SER CB C 13 63.816 0.006 . 1 . . 1062 . . 338 SER CB . 51080 1 786 . 1 . 1 190 190 SER N N 15 115.807 0.013 . 1 . . 89 . . 338 SER N . 51080 1 787 . 1 . 1 191 191 VAL H H 1 8.083 0.002 . 1 . . 291 . . 339 VAL H . 51080 1 788 . 1 . 1 191 191 VAL C C 13 176.348 . . 1 . . 641 . . 339 VAL C . 51080 1 789 . 1 . 1 191 191 VAL CA C 13 62.739 0.015 . 1 . . 861 . . 339 VAL CA . 51080 1 790 . 1 . 1 191 191 VAL CB C 13 32.324 0.03 . 1 . . 860 . . 339 VAL CB . 51080 1 791 . 1 . 1 191 191 VAL N N 15 121.443 0.024 . 1 . . 292 . . 339 VAL N . 51080 1 792 . 1 . 1 192 192 MET H H 1 8.308 0.001 . 1 . . 476 . . 340 MET H . 51080 1 793 . 1 . 1 192 192 MET C C 13 175.94 0.012 . 1 . . 664 . . 340 MET C . 51080 1 794 . 1 . 1 192 192 MET CA C 13 55.458 0.012 . 1 . . 934 . . 340 MET CA . 51080 1 795 . 1 . 1 192 192 MET CB C 13 32.749 0.023 . 1 . . 932 . . 340 MET CB . 51080 1 796 . 1 . 1 192 192 MET CG C 13 31.962 . . 1 . . 1160 . . 340 MET CG . 51080 1 797 . 1 . 1 192 192 MET N N 15 122.802 0.008 . 1 . . 477 . . 340 MET N . 51080 1 798 . 1 . 1 193 193 ASP H H 1 8.19 0.001 . 1 . . 311 . . 341 ASP H . 51080 1 799 . 1 . 1 193 193 ASP C C 13 176.348 . . 1 . . 1159 . . 341 ASP C . 51080 1 800 . 1 . 1 193 193 ASP CA C 13 54.47 . . 1 . . 933 . . 341 ASP CA . 51080 1 801 . 1 . 1 193 193 ASP CB C 13 41.275 . . 1 . . 931 . . 341 ASP CB . 51080 1 802 . 1 . 1 193 193 ASP N N 15 121.137 0.012 . 1 . . 312 . . 341 ASP N . 51080 1 803 . 1 . 1 195 195 HIS CA C 13 56.722 . . 1 . . 914 . . 343 HIS CA . 51080 1 804 . 1 . 1 195 195 HIS CB C 13 30.146 . . 1 . . 913 . . 343 HIS CB . 51080 1 805 . 1 . 1 196 196 PHE H H 1 8.104 0.001 . 1 . . 218 . . 344 PHE H . 51080 1 806 . 1 . 1 196 196 PHE C C 13 175.381 0.008 . 1 . . 634 . . 344 PHE C . 51080 1 807 . 1 . 1 196 196 PHE CA C 13 57.877 0.041 . 1 . . 915 . . 344 PHE CA . 51080 1 808 . 1 . 1 196 196 PHE CB C 13 39.397 0.019 . 1 . . 912 . . 344 PHE CB . 51080 1 809 . 1 . 1 196 196 PHE N N 15 120.417 0.007 . 1 . . 219 . . 344 PHE N . 51080 1 810 . 1 . 1 197 197 ARG H H 1 8.087 0.001 . 1 . . 497 . . 345 ARG H . 51080 1 811 . 1 . 1 197 197 ARG C C 13 175.429 0.004 . 1 . . 533 . . 345 ARG C . 51080 1 812 . 1 . 1 197 197 ARG CA C 13 55.622 0.007 . 1 . . 1139 . . 345 ARG CA . 51080 1 813 . 1 . 1 197 197 ARG CB C 13 30.963 . . 1 . . 1138 . . 345 ARG CB . 51080 1 814 . 1 . 1 197 197 ARG N N 15 122.95 0.013 . 1 . . 496 . . 345 ARG N . 51080 1 815 . 1 . 1 198 198 LYS H H 1 8.303 0.001 . 1 . . 531 . . 346 LYS H . 51080 1 816 . 1 . 1 198 198 LYS C C 13 174.46 . . 1 . . 679 . . 346 LYS C . 51080 1 817 . 1 . 1 198 198 LYS CA C 13 54.331 . . 1 . . 734 . . 346 LYS CA . 51080 1 818 . 1 . 1 198 198 LYS CB C 13 32.433 . . 1 . . 733 . . 346 LYS CB . 51080 1 819 . 1 . 1 198 198 LYS N N 15 124.291 0.007 . 1 . . 532 . . 346 LYS N . 51080 1 820 . 1 . 1 199 199 PRO CA C 13 63.081 0.016 . 1 . . 725 . . 347 PRO CA . 51080 1 821 . 1 . 1 199 199 PRO CB C 13 32.079 0.002 . 1 . . 726 . . 347 PRO CB . 51080 1 822 . 1 . 1 200 200 ALA H H 1 8.437 0.001 . 1 . . 536 . . 348 ALA H . 51080 1 823 . 1 . 1 200 200 ALA C C 13 177.548 . . 1 . . 123 . . 348 ALA C . 51080 1 824 . 1 . 1 200 200 ALA CA C 13 52.569 0.024 . 1 . . 728 . . 348 ALA CA . 51080 1 825 . 1 . 1 200 200 ALA CB C 13 19.259 0.019 . 1 . . 727 . . 348 ALA CB . 51080 1 826 . 1 . 1 200 200 ALA N N 15 124.358 0.009 . 1 . . 537 . . 348 ALA N . 51080 1 827 . 1 . 1 201 201 ASN H H 1 8.36 0.002 . 1 . . 121 . . 349 ASN H . 51080 1 828 . 1 . 1 201 201 ASN C C 13 174.795 0.016 . 1 . . 1141 . . 349 ASN C . 51080 1 829 . 1 . 1 201 201 ASN CA C 13 53.208 0.009 . 1 . . 1047 . . 349 ASN CA . 51080 1 830 . 1 . 1 201 201 ASN CB C 13 38.943 0.02 . 1 . . 1046 . . 349 ASN CB . 51080 1 831 . 1 . 1 201 201 ASN N N 15 117.267 0.011 . 1 . . 122 . . 349 ASN N . 51080 1 832 . 1 . 1 202 202 ASP H H 1 8.274 0.001 . 1 . . 224 . . 350 ASP H . 51080 1 833 . 1 . 1 202 202 ASP C C 13 176.523 0.004 . 1 . . 305 . . 350 ASP C . 51080 1 834 . 1 . 1 202 202 ASP CA C 13 54.259 0.015 . 1 . . 982 . . 350 ASP CA . 51080 1 835 . 1 . 1 202 202 ASP CB C 13 41.213 0.008 . 1 . . 927 . . 350 ASP CB . 51080 1 836 . 1 . 1 202 202 ASP N N 15 120.459 0.015 . 1 . . 225 . . 350 ASP N . 51080 1 837 . 1 . 1 203 203 ILE H H 1 8.168 0.001 . 1 . . 304 . . 351 ILE H . 51080 1 838 . 1 . 1 203 203 ILE C C 13 176.894 0.002 . 1 . . 106 . . 351 ILE C . 51080 1 839 . 1 . 1 203 203 ILE CA C 13 61.834 0.015 . 1 . . 928 . . 351 ILE CA . 51080 1 840 . 1 . 1 203 203 ILE CB C 13 38.426 0.012 . 1 . . 1052 . . 351 ILE CB . 51080 1 841 . 1 . 1 203 203 ILE N N 15 120.841 0.013 . 1 . . 303 . . 351 ILE N . 51080 1 842 . 1 . 1 204 204 THR H H 1 8.239 0.001 . 1 . . 104 . . 352 THR H . 51080 1 843 . 1 . 1 204 204 THR C C 13 175.164 0.002 . 1 . . 135 . . 352 THR C . 51080 1 844 . 1 . 1 204 204 THR CA C 13 62.886 0.005 . 1 . . 1039 . . 352 THR CA . 51080 1 845 . 1 . 1 204 204 THR CB C 13 69.57 0.006 . 1 . . 1040 . . 352 THR CB . 51080 1 846 . 1 . 1 204 204 THR N N 15 116.759 0.013 . 1 . . 105 . . 352 THR N . 51080 1 847 . 1 . 1 205 205 SER H H 1 8.232 0.001 . 1 . . 133 . . 353 SER H . 51080 1 848 . 1 . 1 205 205 SER C C 13 174.742 0.019 . 1 . . 619 . . 353 SER C . 51080 1 849 . 1 . 1 205 205 SER CA C 13 58.896 0.017 . 1 . . 1037 . . 353 SER CA . 51080 1 850 . 1 . 1 205 205 SER CB C 13 63.598 0.003 . 1 . . 1038 . . 353 SER CB . 51080 1 851 . 1 . 1 205 205 SER N N 15 117.806 0.008 . 1 . . 134 . . 353 SER N . 51080 1 852 . 1 . 1 206 206 GLN H H 1 8.304 0.001 . 1 . . 388 . . 354 GLN H . 51080 1 853 . 1 . 1 206 206 GLN C C 13 176.063 0.051 . 1 . . 1157 . . 354 GLN C . 51080 1 854 . 1 . 1 206 206 GLN CA C 13 56.183 0.078 . 1 . . 846 . . 354 GLN CA . 51080 1 855 . 1 . 1 206 206 GLN CB C 13 29.159 0.009 . 1 . . 845 . . 354 GLN CB . 51080 1 856 . 1 . 1 206 206 GLN CG C 13 33.846 . . 1 . . 1190 . . 354 GLN CG . 51080 1 857 . 1 . 1 206 206 GLN N N 15 121.807 0.021 . 1 . . 389 . . 354 GLN N . 51080 1 858 . 1 . 1 207 207 LEU H H 1 8.089 0.001 . 1 . . 283 . . 355 LEU H . 51080 1 859 . 1 . 1 207 207 LEU C C 13 177.395 0.007 . 1 . . 644 . . 355 LEU C . 51080 1 860 . 1 . 1 207 207 LEU CA C 13 55.519 0.02 . 1 . . 796 . . 355 LEU CA . 51080 1 861 . 1 . 1 207 207 LEU CB C 13 42.459 0.015 . 1 . . 797 . . 355 LEU CB . 51080 1 862 . 1 . 1 207 207 LEU N N 15 122.104 0.005 . 1 . . 284 . . 355 LEU N . 51080 1 863 . 1 . 1 208 208 GLU H H 1 8.269 0.001 . 1 . . 358 . . 356 GLU H . 51080 1 864 . 1 . 1 208 208 GLU C C 13 176.437 . . 1 . . 1145 . . 356 GLU C . 51080 1 865 . 1 . 1 208 208 GLU CA C 13 56.684 0.021 . 1 . . 895 . . 356 GLU CA . 51080 1 866 . 1 . 1 208 208 GLU CB C 13 30.175 0.016 . 1 . . 898 . . 356 GLU CB . 51080 1 867 . 1 . 1 208 208 GLU CG C 13 36.288 . . 1 . . 1180 . . 356 GLU CG . 51080 1 868 . 1 . 1 208 208 GLU N N 15 121.276 0.007 . 1 . . 357 . . 356 GLU N . 51080 1 869 . 1 . 1 209 209 ILE H H 1 8.004 0.002 . 1 . . 271 . . 357 ILE H . 51080 1 870 . 1 . 1 209 209 ILE C C 13 175.68 0.007 . 1 . . 397 . . 357 ILE C . 51080 1 871 . 1 . 1 209 209 ILE CA C 13 61.315 0.01 . 1 . . 808 . . 357 ILE CA . 51080 1 872 . 1 . 1 209 209 ILE CB C 13 38.74 0.007 . 1 . . 899 . . 357 ILE CB . 51080 1 873 . 1 . 1 209 209 ILE N N 15 121.287 0.016 . 1 . . 272 . . 357 ILE N . 51080 1 874 . 1 . 1 210 210 ASN H H 1 8.365 0.001 . 1 . . 395 . . 358 ASN H . 51080 1 875 . 1 . 1 210 210 ASN C C 13 175.102 0.012 . 1 . . 659 . . 358 ASN C . 51080 1 876 . 1 . 1 210 210 ASN CA C 13 52.89 0.006 . 1 . . 888 . . 358 ASN CA . 51080 1 877 . 1 . 1 210 210 ASN CB C 13 38.946 0.018 . 1 . . 889 . . 358 ASN CB . 51080 1 878 . 1 . 1 210 210 ASN N N 15 122.022 0.008 . 1 . . 396 . . 358 ASN N . 51080 1 879 . 1 . 1 211 211 PHE H H 1 8.298 0.002 . 1 . . 361 . . 359 PHE H . 51080 1 880 . 1 . 1 211 211 PHE C C 13 176.522 0.003 . 1 . . 50 . . 359 PHE C . 51080 1 881 . 1 . 1 211 211 PHE CA C 13 58.55 0.005 . 1 . . 887 . . 359 PHE CA . 51080 1 882 . 1 . 1 211 211 PHE CB C 13 39.271 0.029 . 1 . . 1098 . . 359 PHE CB . 51080 1 883 . 1 . 1 211 211 PHE N N 15 121.375 0.011 . 1 . . 362 . . 359 PHE N . 51080 1 884 . 1 . 1 212 212 GLY H H 1 8.352 0.001 . 1 . . 48 . . 360 GLY H . 51080 1 885 . 1 . 1 212 212 GLY C C 13 174.055 0.003 . 1 . . 217 . . 360 GLY C . 51080 1 886 . 1 . 1 212 212 GLY CA C 13 45.556 0.005 . 1 . . 920 . . 360 GLY CA . 51080 1 887 . 1 . 1 212 212 GLY N N 15 109.52 0.008 . 1 . . 49 . . 360 GLY N . 51080 1 888 . 1 . 1 213 213 ASP H H 1 8.167 0.002 . 1 . . 215 . . 361 ASP H . 51080 1 889 . 1 . 1 213 213 ASP C C 13 176.693 0 . 1 . . 302 . . 361 ASP C . 51080 1 890 . 1 . 1 213 213 ASP CA C 13 54.505 0.011 . 1 . . 848 . . 361 ASP CA . 51080 1 891 . 1 . 1 213 213 ASP CB C 13 41.239 0.006 . 1 . . 919 . . 361 ASP CB . 51080 1 892 . 1 . 1 213 213 ASP N N 15 120.542 0.019 . 1 . . 216 . . 361 ASP N . 51080 1 893 . 1 . 1 214 214 LEU H H 1 8.2 0.001 . 1 . . 301 . . 362 LEU H . 51080 1 894 . 1 . 1 214 214 LEU C C 13 178.038 0.013 . 1 . . 646 . . 362 LEU C . 51080 1 895 . 1 . 1 214 214 LEU CA C 13 55.674 0.007 . 1 . . 1123 . . 362 LEU CA . 51080 1 896 . 1 . 1 214 214 LEU CB C 13 41.972 0.013 . 1 . . 1122 . . 362 LEU CB . 51080 1 897 . 1 . 1 214 214 LEU N N 15 121.865 0.01 . 1 . . 300 . . 362 LEU N . 51080 1 898 . 1 . 1 215 215 GLY H H 1 8.376 0.001 . 1 . . 4 . . 363 GLY H . 51080 1 899 . 1 . 1 215 215 GLY C C 13 173.84 0.004 . 1 . . 607 . . 363 GLY C . 51080 1 900 . 1 . 1 215 215 GLY CA C 13 45.261 0.009 . 1 . . 1124 . . 363 GLY CA . 51080 1 901 . 1 . 1 215 215 GLY N N 15 108.421 0.005 . 1 . . 3 . . 363 GLY N . 51080 1 902 . 1 . 1 216 216 ARG H H 1 7.973 0.001 . 1 . . 638 . . 364 ARG H . 51080 1 903 . 1 . 1 216 216 ARG C C 13 174.255 . . 1 . . 1214 . . 364 ARG C . 51080 1 904 . 1 . 1 216 216 ARG CA C 13 54.058 . . 1 . . 902 . . 364 ARG CA . 51080 1 905 . 1 . 1 216 216 ARG CB C 13 30.172 . . 1 . . 901 . . 364 ARG CB . 51080 1 906 . 1 . 1 216 216 ARG N N 15 121.066 0.002 . 1 . . 639 . . 364 ARG N . 51080 1 907 . 1 . 1 217 217 PRO C C 13 177.605 . . 1 . . 27 . . 365 PRO C . 51080 1 908 . 1 . 1 217 217 PRO CA C 13 63.521 . . 1 . . 1106 . . 365 PRO CA . 51080 1 909 . 1 . 1 217 217 PRO CB C 13 32.057 . . 1 . . 1105 . . 365 PRO CB . 51080 1 910 . 1 . 1 218 218 GLY H H 1 8.532 0.002 . 1 . . 25 . . 366 GLY H . 51080 1 911 . 1 . 1 218 218 GLY CA C 13 45.294 . . 1 . . 1107 . . 366 GLY CA . 51080 1 912 . 1 . 1 218 218 GLY N N 15 109.344 0.017 . 1 . . 26 . . 366 GLY N . 51080 1 913 . 1 . 1 234 234 PRO C C 13 176.665 . . 1 . . 169 . . 382 PRO C . 51080 1 914 . 1 . 1 234 234 PRO CA C 13 63.256 . . 1 . . 1007 . . 382 PRO CA . 51080 1 915 . 1 . 1 234 234 PRO CB C 13 31.999 . . 1 . . 1009 . . 382 PRO CB . 51080 1 916 . 1 . 1 235 235 ASN H H 1 8.602 0.002 . 1 . . 167 . . 383 ASN H . 51080 1 917 . 1 . 1 235 235 ASN C C 13 175.382 . . 1 . . 625 . . 383 ASN C . 51080 1 918 . 1 . 1 235 235 ASN CA C 13 53.317 . . 1 . . 1008 . . 383 ASN CA . 51080 1 919 . 1 . 1 235 235 ASN N N 15 119.138 0.014 . 1 . . 168 . . 383 ASN N . 51080 1 920 . 1 . 1 239 239 ARG C C 13 176.731 . . 1 . . 78 . . 387 ARG C . 51080 1 921 . 1 . 1 239 239 ARG CA C 13 56.424 . . 1 . . 1071 . . 387 ARG CA . 51080 1 922 . 1 . 1 239 239 ARG CB C 13 30.883 . . 1 . . 1070 . . 387 ARG CB . 51080 1 923 . 1 . 1 240 240 THR H H 1 8.267 0.003 . 1 . . 76 . . 388 THR H . 51080 1 924 . 1 . 1 240 240 THR C C 13 174.358 0.004 . 1 . . 610 . . 388 THR C . 51080 1 925 . 1 . 1 240 240 THR CA C 13 61.962 0.036 . 1 . . 1072 . . 388 THR CA . 51080 1 926 . 1 . 1 240 240 THR CB C 13 69.735 0.011 . 1 . . 774 . . 388 THR CB . 51080 1 927 . 1 . 1 240 240 THR N N 15 114.381 0.014 . 1 . . 77 . . 388 THR N . 51080 1 928 . 1 . 1 241 241 ASP H H 1 8.338 0.001 . 1 . . 474 . . 389 ASP H . 51080 1 929 . 1 . 1 241 241 ASP C C 13 176.286 . . 1 . . 663 . . 389 ASP C . 51080 1 930 . 1 . 1 241 241 ASP CA C 13 54.248 . . 1 . . 775 . . 389 ASP CA . 51080 1 931 . 1 . 1 241 241 ASP CB C 13 41.131 . . 1 . . 776 . . 389 ASP CB . 51080 1 932 . 1 . 1 241 241 ASP N N 15 122.678 0.008 . 1 . . 475 . . 389 ASP N . 51080 1 933 . 1 . 1 242 242 LYS C C 13 176.925 . . 1 . . 120 . . 390 LYS C . 51080 1 934 . 1 . 1 242 242 LYS CA C 13 56.549 . . 1 . . 1050 . . 390 LYS CA . 51080 1 935 . 1 . 1 243 243 SER H H 1 8.428 0.001 . 1 . . 118 . . 391 SER H . 51080 1 936 . 1 . 1 243 243 SER N N 15 116.847 0.027 . 1 . . 119 . . 391 SER N . 51080 1 937 . 1 . 1 244 244 SER C C 13 174.356 . . 1 . . 581 . . 392 SER C . 51080 1 938 . 1 . 1 244 244 SER CA C 13 58.433 . . 1 . . 702 . . 392 SER CA . 51080 1 939 . 1 . 1 244 244 SER CB C 13 63.773 . . 1 . . 703 . . 392 SER CB . 51080 1 940 . 1 . 1 245 245 ALA H H 1 8.295 0.002 . 1 . . 579 . . 393 ALA H . 51080 1 941 . 1 . 1 245 245 ALA C C 13 177.692 0.011 . 1 . . 81 . . 393 ALA C . 51080 1 942 . 1 . 1 245 245 ALA CA C 13 52.667 0.031 . 1 . . 1068 . . 393 ALA CA . 51080 1 943 . 1 . 1 245 245 ALA CB C 13 19.261 0.022 . 1 . . 1069 . . 393 ALA CB . 51080 1 944 . 1 . 1 245 245 ALA N N 15 125.699 0.008 . 1 . . 580 . . 393 ALA N . 51080 1 945 . 1 . 1 246 246 SER H H 1 8.192 0.002 . 1 . . 79 . . 394 SER H . 51080 1 946 . 1 . 1 246 246 SER C C 13 173.751 0.008 . 1 . . 611 . . 394 SER C . 51080 1 947 . 1 . 1 246 246 SER CA C 13 58.261 0.018 . 1 . . 691 . . 394 SER CA . 51080 1 948 . 1 . 1 246 246 SER CB C 13 63.881 0.012 . 1 . . 690 . . 394 SER CB . 51080 1 949 . 1 . 1 246 246 SER N N 15 114.813 0.008 . 1 . . 80 . . 394 SER N . 51080 1 950 . 1 . 1 247 247 ALA H H 1 8.218 0.001 . 1 . . 571 . . 395 ALA H . 51080 1 951 . 1 . 1 247 247 ALA C C 13 175.392 . . 1 . . 684 . . 395 ALA C . 51080 1 952 . 1 . 1 247 247 ALA CA C 13 50.578 . . 1 . . 693 . . 395 ALA CA . 51080 1 953 . 1 . 1 247 247 ALA CB C 13 18.396 . . 1 . . 692 . . 395 ALA CB . 51080 1 954 . 1 . 1 247 247 ALA N N 15 126.891 0.006 . 1 . . 572 . . 395 ALA N . 51080 1 955 . 1 . 1 248 248 PRO C C 13 176.583 . . 1 . . 344 . . 396 PRO C . 51080 1 956 . 1 . 1 248 248 PRO CA C 13 63.222 0.013 . 1 . . 969 . . 396 PRO CA . 51080 1 957 . 1 . 1 248 248 PRO CB C 13 32.1 0.019 . 1 . . 970 . . 396 PRO CB . 51080 1 958 . 1 . 1 249 249 ASP H H 1 8.438 0.001 . 1 . . 342 . . 397 ASP H . 51080 1 959 . 1 . 1 249 249 ASP C C 13 176.111 0.008 . 1 . . 166 . . 397 ASP C . 51080 1 960 . 1 . 1 249 249 ASP CA C 13 54.296 0.007 . 1 . . 1005 . . 397 ASP CA . 51080 1 961 . 1 . 1 249 249 ASP CB C 13 41.147 0.006 . 1 . . 1006 . . 397 ASP CB . 51080 1 962 . 1 . 1 249 249 ASP N N 15 120.21 0.011 . 1 . . 343 . . 397 ASP N . 51080 1 963 . 1 . 1 250 250 VAL H H 1 7.974 0.001 . 1 . . 164 . . 398 VAL H . 51080 1 964 . 1 . 1 250 250 VAL C C 13 175.594 0.011 . 1 . . 616 . . 398 VAL C . 51080 1 965 . 1 . 1 250 250 VAL CA C 13 61.957 0.019 . 1 . . 1004 . . 398 VAL CA . 51080 1 966 . 1 . 1 250 250 VAL CB C 13 33.195 0.014 . 1 . . 1003 . . 398 VAL CB . 51080 1 967 . 1 . 1 250 250 VAL N N 15 118.883 0.01 . 1 . . 165 . . 398 VAL N . 51080 1 968 . 1 . 1 251 251 ASP H H 1 8.387 0.002 . 1 . . 527 . . 399 ASP H . 51080 1 969 . 1 . 1 251 251 ASP C C 13 175.034 0.004 . 1 . . 590 . . 399 ASP C . 51080 1 970 . 1 . 1 251 251 ASP CA C 13 54.271 0.005 . 1 . . 737 . . 399 ASP CA . 51080 1 971 . 1 . 1 251 251 ASP CB C 13 41.431 0.011 . 1 . . 696 . . 399 ASP CB . 51080 1 972 . 1 . 1 251 251 ASP N N 15 124.118 0.015 . 1 . . 528 . . 399 ASP N . 51080 1 973 . 1 . 1 252 252 ASP H H 1 7.871 0.001 . 1 . . 588 . . 400 ASP H . 51080 1 974 . 1 . 1 252 252 ASP C C 13 180.971 . . 1 . . 683 . . 400 ASP C . 51080 1 975 . 1 . 1 252 252 ASP CA C 13 55.922 . . 1 . . 697 . . 400 ASP CA . 51080 1 976 . 1 . 1 252 252 ASP CB C 13 42.32 . . 1 . . 698 . . 400 ASP CB . 51080 1 977 . 1 . 1 252 252 ASP N N 15 126.305 0.007 . 1 . . 589 . . 400 ASP N . 51080 1 stop_ save_