data_53286 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53286 _Entry.Title ; Assignment of 1H, 13C, 15N backbone chemical shifts of RAD52 217-418 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-07-18 _Entry.Accession_date 2025-07-18 _Entry.Last_release_date 2025-07-20 _Entry.Original_release_date 2025-07-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignment of 1H, 13C, 15N backbone chemical shifts of RAD52 217-418' _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 Hoang Dinh . H. . 0009-0009-6065-7219 53286 2 Sarah DiDomenico . F. . 0000-0002-2495-3629 53286 3 Antoine Baudin . . . 0000-0002-1390-1196 53286 4 Alexander Mazin . V. . 0000-0002-5430-9797 53286 5 David Libich . S. . 0000-0001-6492-2803 53286 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53286 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 500 53286 '15N chemical shifts' 145 53286 '1H chemical shifts' 145 53286 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-08-01 . original BMRB . 53286 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53286 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; RAD52 and RPA act in a concert promoting inverse RNA strand exchange ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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 Sarah DiDomenico . F. . . 53286 1 2 Hoang Dinh . H. . . 53286 1 3 Matthew Rossi . J. . . 53286 1 4 Antoine Baudin . . . . 53286 1 5 Walter Chazin . J. . . 53286 1 6 David Libich . S. . . 53286 1 7 Alexander Mazin . V. . . 53286 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53286 _Assembly.ID 1 _Assembly.Name RAD52-CTD _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 RAD52-CTD 1 $entity_1 . . yes native no no . . . 53286 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53286 _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 ; PQLQQVTSPSRPSHAVIPAD QDCSSRSLSSSAVESEATHQ RKLRQKQLQQQFRERMEKQQ VRVSTPSAEKSEAAPPAPPV THSTPVTVSEPLLEKDFLAG VTQELIKTLEDNSEKWAVTP DAGDGVVKPSSRADPAQTSD TLALNNQMVTQNRTPHSVCH QKPQAKSGSWDLQTYSADQR TTGNWESHRKSQDMKKRKYD PS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 217-418 _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 202 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RAD52-CTD 217-418' _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 1 217 PRO . 53286 1 2 218 GLN . 53286 1 3 219 LEU . 53286 1 4 220 GLN . 53286 1 5 221 GLN . 53286 1 6 222 VAL . 53286 1 7 223 THR . 53286 1 8 224 SER . 53286 1 9 225 PRO . 53286 1 10 226 SER . 53286 1 11 227 ARG . 53286 1 12 228 PRO . 53286 1 13 229 SER . 53286 1 14 230 HIS . 53286 1 15 231 ALA . 53286 1 16 232 VAL . 53286 1 17 233 ILE . 53286 1 18 234 PRO . 53286 1 19 235 ALA . 53286 1 20 236 ASP . 53286 1 21 237 GLN . 53286 1 22 238 ASP . 53286 1 23 239 CYS . 53286 1 24 240 SER . 53286 1 25 241 SER . 53286 1 26 242 ARG . 53286 1 27 243 SER . 53286 1 28 244 LEU . 53286 1 29 245 SER . 53286 1 30 246 SER . 53286 1 31 247 SER . 53286 1 32 248 ALA . 53286 1 33 249 VAL . 53286 1 34 250 GLU . 53286 1 35 251 SER . 53286 1 36 252 GLU . 53286 1 37 253 ALA . 53286 1 38 254 THR . 53286 1 39 255 HIS . 53286 1 40 256 GLN . 53286 1 41 257 ARG . 53286 1 42 258 LYS . 53286 1 43 259 LEU . 53286 1 44 260 ARG . 53286 1 45 261 GLN . 53286 1 46 262 LYS . 53286 1 47 263 GLN . 53286 1 48 264 LEU . 53286 1 49 265 GLN . 53286 1 50 266 GLN . 53286 1 51 267 GLN . 53286 1 52 268 PHE . 53286 1 53 269 ARG . 53286 1 54 270 GLU . 53286 1 55 271 ARG . 53286 1 56 272 MET . 53286 1 57 273 GLU . 53286 1 58 274 LYS . 53286 1 59 275 GLN . 53286 1 60 276 GLN . 53286 1 61 277 VAL . 53286 1 62 278 ARG . 53286 1 63 279 VAL . 53286 1 64 280 SER . 53286 1 65 281 THR . 53286 1 66 282 PRO . 53286 1 67 283 SER . 53286 1 68 284 ALA . 53286 1 69 285 GLU . 53286 1 70 286 LYS . 53286 1 71 287 SER . 53286 1 72 288 GLU . 53286 1 73 289 ALA . 53286 1 74 290 ALA . 53286 1 75 291 PRO . 53286 1 76 292 PRO . 53286 1 77 293 ALA . 53286 1 78 294 PRO . 53286 1 79 295 PRO . 53286 1 80 296 VAL . 53286 1 81 297 THR . 53286 1 82 298 HIS . 53286 1 83 299 SER . 53286 1 84 300 THR . 53286 1 85 301 PRO . 53286 1 86 302 VAL . 53286 1 87 303 THR . 53286 1 88 304 VAL . 53286 1 89 305 SER . 53286 1 90 306 GLU . 53286 1 91 307 PRO . 53286 1 92 308 LEU . 53286 1 93 309 LEU . 53286 1 94 310 GLU . 53286 1 95 311 LYS . 53286 1 96 312 ASP . 53286 1 97 313 PHE . 53286 1 98 314 LEU . 53286 1 99 315 ALA . 53286 1 100 316 GLY . 53286 1 101 317 VAL . 53286 1 102 318 THR . 53286 1 103 319 GLN . 53286 1 104 320 GLU . 53286 1 105 321 LEU . 53286 1 106 322 ILE . 53286 1 107 323 LYS . 53286 1 108 324 THR . 53286 1 109 325 LEU . 53286 1 110 326 GLU . 53286 1 111 327 ASP . 53286 1 112 328 ASN . 53286 1 113 329 SER . 53286 1 114 330 GLU . 53286 1 115 331 LYS . 53286 1 116 332 TRP . 53286 1 117 333 ALA . 53286 1 118 334 VAL . 53286 1 119 335 THR . 53286 1 120 336 PRO . 53286 1 121 337 ASP . 53286 1 122 338 ALA . 53286 1 123 339 GLY . 53286 1 124 340 ASP . 53286 1 125 341 GLY . 53286 1 126 342 VAL . 53286 1 127 343 VAL . 53286 1 128 344 LYS . 53286 1 129 345 PRO . 53286 1 130 346 SER . 53286 1 131 347 SER . 53286 1 132 348 ARG . 53286 1 133 349 ALA . 53286 1 134 350 ASP . 53286 1 135 351 PRO . 53286 1 136 352 ALA . 53286 1 137 353 GLN . 53286 1 138 354 THR . 53286 1 139 355 SER . 53286 1 140 356 ASP . 53286 1 141 357 THR . 53286 1 142 358 LEU . 53286 1 143 359 ALA . 53286 1 144 360 LEU . 53286 1 145 361 ASN . 53286 1 146 362 ASN . 53286 1 147 363 GLN . 53286 1 148 364 MET . 53286 1 149 365 VAL . 53286 1 150 366 THR . 53286 1 151 367 GLN . 53286 1 152 368 ASN . 53286 1 153 369 ARG . 53286 1 154 370 THR . 53286 1 155 371 PRO . 53286 1 156 372 HIS . 53286 1 157 373 SER . 53286 1 158 374 VAL . 53286 1 159 375 CYS . 53286 1 160 376 HIS . 53286 1 161 377 GLN . 53286 1 162 378 LYS . 53286 1 163 379 PRO . 53286 1 164 380 GLN . 53286 1 165 381 ALA . 53286 1 166 382 LYS . 53286 1 167 383 SER . 53286 1 168 384 GLY . 53286 1 169 385 SER . 53286 1 170 386 TRP . 53286 1 171 387 ASP . 53286 1 172 388 LEU . 53286 1 173 389 GLN . 53286 1 174 390 THR . 53286 1 175 391 TYR . 53286 1 176 392 SER . 53286 1 177 393 ALA . 53286 1 178 394 ASP . 53286 1 179 395 GLN . 53286 1 180 396 ARG . 53286 1 181 397 THR . 53286 1 182 398 THR . 53286 1 183 399 GLY . 53286 1 184 400 ASN . 53286 1 185 401 TRP . 53286 1 186 402 GLU . 53286 1 187 403 SER . 53286 1 188 404 HIS . 53286 1 189 405 ARG . 53286 1 190 406 LYS . 53286 1 191 407 SER . 53286 1 192 408 GLN . 53286 1 193 409 ASP . 53286 1 194 410 MET . 53286 1 195 411 LYS . 53286 1 196 412 LYS . 53286 1 197 413 ARG . 53286 1 198 414 LYS . 53286 1 199 415 TYR . 53286 1 200 416 ASP . 53286 1 201 417 PRO . 53286 1 202 418 SER . 53286 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 . PRO 1 1 53286 1 . GLN 2 2 53286 1 . LEU 3 3 53286 1 . GLN 4 4 53286 1 . GLN 5 5 53286 1 . VAL 6 6 53286 1 . THR 7 7 53286 1 . SER 8 8 53286 1 . PRO 9 9 53286 1 . SER 10 10 53286 1 . ARG 11 11 53286 1 . PRO 12 12 53286 1 . SER 13 13 53286 1 . HIS 14 14 53286 1 . ALA 15 15 53286 1 . VAL 16 16 53286 1 . ILE 17 17 53286 1 . PRO 18 18 53286 1 . ALA 19 19 53286 1 . ASP 20 20 53286 1 . GLN 21 21 53286 1 . ASP 22 22 53286 1 . CYS 23 23 53286 1 . SER 24 24 53286 1 . SER 25 25 53286 1 . ARG 26 26 53286 1 . SER 27 27 53286 1 . LEU 28 28 53286 1 . SER 29 29 53286 1 . SER 30 30 53286 1 . SER 31 31 53286 1 . ALA 32 32 53286 1 . VAL 33 33 53286 1 . GLU 34 34 53286 1 . SER 35 35 53286 1 . GLU 36 36 53286 1 . ALA 37 37 53286 1 . THR 38 38 53286 1 . HIS 39 39 53286 1 . GLN 40 40 53286 1 . ARG 41 41 53286 1 . LYS 42 42 53286 1 . LEU 43 43 53286 1 . ARG 44 44 53286 1 . GLN 45 45 53286 1 . LYS 46 46 53286 1 . GLN 47 47 53286 1 . LEU 48 48 53286 1 . GLN 49 49 53286 1 . GLN 50 50 53286 1 . GLN 51 51 53286 1 . PHE 52 52 53286 1 . ARG 53 53 53286 1 . GLU 54 54 53286 1 . ARG 55 55 53286 1 . MET 56 56 53286 1 . GLU 57 57 53286 1 . LYS 58 58 53286 1 . GLN 59 59 53286 1 . GLN 60 60 53286 1 . VAL 61 61 53286 1 . ARG 62 62 53286 1 . VAL 63 63 53286 1 . SER 64 64 53286 1 . THR 65 65 53286 1 . PRO 66 66 53286 1 . SER 67 67 53286 1 . ALA 68 68 53286 1 . GLU 69 69 53286 1 . LYS 70 70 53286 1 . SER 71 71 53286 1 . GLU 72 72 53286 1 . ALA 73 73 53286 1 . ALA 74 74 53286 1 . PRO 75 75 53286 1 . PRO 76 76 53286 1 . ALA 77 77 53286 1 . PRO 78 78 53286 1 . PRO 79 79 53286 1 . VAL 80 80 53286 1 . THR 81 81 53286 1 . HIS 82 82 53286 1 . SER 83 83 53286 1 . THR 84 84 53286 1 . PRO 85 85 53286 1 . VAL 86 86 53286 1 . THR 87 87 53286 1 . VAL 88 88 53286 1 . SER 89 89 53286 1 . GLU 90 90 53286 1 . PRO 91 91 53286 1 . LEU 92 92 53286 1 . LEU 93 93 53286 1 . GLU 94 94 53286 1 . LYS 95 95 53286 1 . ASP 96 96 53286 1 . PHE 97 97 53286 1 . LEU 98 98 53286 1 . ALA 99 99 53286 1 . GLY 100 100 53286 1 . VAL 101 101 53286 1 . THR 102 102 53286 1 . GLN 103 103 53286 1 . GLU 104 104 53286 1 . LEU 105 105 53286 1 . ILE 106 106 53286 1 . LYS 107 107 53286 1 . THR 108 108 53286 1 . LEU 109 109 53286 1 . GLU 110 110 53286 1 . ASP 111 111 53286 1 . ASN 112 112 53286 1 . SER 113 113 53286 1 . GLU 114 114 53286 1 . LYS 115 115 53286 1 . TRP 116 116 53286 1 . ALA 117 117 53286 1 . VAL 118 118 53286 1 . THR 119 119 53286 1 . PRO 120 120 53286 1 . ASP 121 121 53286 1 . ALA 122 122 53286 1 . GLY 123 123 53286 1 . ASP 124 124 53286 1 . GLY 125 125 53286 1 . VAL 126 126 53286 1 . VAL 127 127 53286 1 . LYS 128 128 53286 1 . PRO 129 129 53286 1 . SER 130 130 53286 1 . SER 131 131 53286 1 . ARG 132 132 53286 1 . ALA 133 133 53286 1 . ASP 134 134 53286 1 . PRO 135 135 53286 1 . ALA 136 136 53286 1 . GLN 137 137 53286 1 . THR 138 138 53286 1 . SER 139 139 53286 1 . ASP 140 140 53286 1 . THR 141 141 53286 1 . LEU 142 142 53286 1 . ALA 143 143 53286 1 . LEU 144 144 53286 1 . ASN 145 145 53286 1 . ASN 146 146 53286 1 . GLN 147 147 53286 1 . MET 148 148 53286 1 . VAL 149 149 53286 1 . THR 150 150 53286 1 . GLN 151 151 53286 1 . ASN 152 152 53286 1 . ARG 153 153 53286 1 . THR 154 154 53286 1 . PRO 155 155 53286 1 . HIS 156 156 53286 1 . SER 157 157 53286 1 . VAL 158 158 53286 1 . CYS 159 159 53286 1 . HIS 160 160 53286 1 . GLN 161 161 53286 1 . LYS 162 162 53286 1 . PRO 163 163 53286 1 . GLN 164 164 53286 1 . ALA 165 165 53286 1 . LYS 166 166 53286 1 . SER 167 167 53286 1 . GLY 168 168 53286 1 . SER 169 169 53286 1 . TRP 170 170 53286 1 . ASP 171 171 53286 1 . LEU 172 172 53286 1 . GLN 173 173 53286 1 . THR 174 174 53286 1 . TYR 175 175 53286 1 . SER 176 176 53286 1 . ALA 177 177 53286 1 . ASP 178 178 53286 1 . GLN 179 179 53286 1 . ARG 180 180 53286 1 . THR 181 181 53286 1 . THR 182 182 53286 1 . GLY 183 183 53286 1 . ASN 184 184 53286 1 . TRP 185 185 53286 1 . GLU 186 186 53286 1 . SER 187 187 53286 1 . HIS 188 188 53286 1 . ARG 189 189 53286 1 . LYS 190 190 53286 1 . SER 191 191 53286 1 . GLN 192 192 53286 1 . ASP 193 193 53286 1 . MET 194 194 53286 1 . LYS 195 195 53286 1 . LYS 196 196 53286 1 . ARG 197 197 53286 1 . LYS 198 198 53286 1 . TYR 199 199 53286 1 . ASP 200 200 53286 1 . PRO 201 201 53286 1 . SER 202 202 53286 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 53286 _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 . . . . . . . . . . . . . 53286 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 53286 _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 . . pGEX-6P-2 . . . 53286 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53286 _Sample.ID 1 _Sample.Name RAD52-CTD _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 RAD52-CTD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 130 . . uM . . . . 53286 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 53286 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 53286 1 pH 6.8 . pH 53286 1 pressure 1 . atm 53286 1 temperature 298 . K 53286 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53286 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53286 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53286 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53286 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53286 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53286 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53286 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53286 4 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 53286 _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 53286 _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 . . . . . . . . . . . . . . . . . 53286 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53286 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53286 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53286 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53286 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53286 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 53286 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _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 42.756999 internal indirect 0.25 . . . . . 53286 1 H 1 water protons . . . . ppm 8.0221363 internal direct 1 . . . . . 53286 1 N 15 water protons . . . . ppm 119.10299 internal indirect 0.1 . . . . . 53286 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 53286 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'RAD52-CTD 217-418' _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' . . . 53286 1 2 '3D HNCACB' . . . 53286 1 3 '3D CBCA(CO)NH' . . . 53286 1 4 '3D HNCO' . . . 53286 1 5 '3D HN(CA)CO' . . . 53286 1 6 '3D H(CCO)NH' . . . 53286 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 . . 53286 1 2 $software_2 . . 53286 1 3 $software_3 . . 53286 1 4 $software_4 . . 53286 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 PRO C C 13 177.0006292 0 . 1 . . . . . 217 PRO C . 53286 1 2 . 1 . 1 1 1 PRO CA C 13 63.62325327 0 . 1 . . . . . 217 PRO CA . 53286 1 3 . 1 . 1 1 1 PRO CB C 13 32.05075846 0 . 1 . . . . . 217 PRO CB . 53286 1 4 . 1 . 1 2 2 GLN H H 1 8.451684915 0.001153362 . 1 . . . . . 218 GLN H . 53286 1 5 . 1 . 1 2 2 GLN C C 13 176.129476 0.024957137 . 1 . . . . . 218 GLN C . 53286 1 6 . 1 . 1 2 2 GLN CA C 13 55.90411498 0.021639197 . 1 . . . . . 218 GLN CA . 53286 1 7 . 1 . 1 2 2 GLN CB C 13 29.24344858 0.005058836 . 1 . . . . . 218 GLN CB . 53286 1 8 . 1 . 1 2 2 GLN N N 15 120.3377401 0.006224194 . 1 . . . . . 218 GLN N . 53286 1 9 . 1 . 1 3 3 LEU H H 1 8.22422248 0.000322107 . 1 . . . . . 219 LEU H . 53286 1 10 . 1 . 1 3 3 LEU C C 13 177.257506 0.020967083 . 1 . . . . . 219 LEU C . 53286 1 11 . 1 . 1 3 3 LEU CA C 13 55.34165799 0.021880761 . 1 . . . . . 219 LEU CA . 53286 1 12 . 1 . 1 3 3 LEU CB C 13 42.29879633 0.005226621 . 1 . . . . . 219 LEU CB . 53286 1 13 . 1 . 1 3 3 LEU N N 15 123.5076265 0.008814537 . 1 . . . . . 219 LEU N . 53286 1 14 . 1 . 1 4 4 GLN H H 1 8.340743182 0.000500717 . 1 . . . . . 220 GLN H . 53286 1 15 . 1 . 1 4 4 GLN C C 13 175.8746917 0.011182843 . 1 . . . . . 220 GLN C . 53286 1 16 . 1 . 1 4 4 GLN CA C 13 55.78783262 0.013043862 . 1 . . . . . 220 GLN CA . 53286 1 17 . 1 . 1 4 4 GLN CB C 13 29.37426972 0.000681804 . 1 . . . . . 220 GLN CB . 53286 1 18 . 1 . 1 4 4 GLN N N 15 121.0683769 0.005055898 . 1 . . . . . 220 GLN N . 53286 1 19 . 1 . 1 5 5 GLN H H 1 8.412429036 0.00076202 . 1 . . . . . 221 GLN H . 53286 1 20 . 1 . 1 5 5 GLN C C 13 175.9508977 0.035315926 . 1 . . . . . 221 GLN C . 53286 1 21 . 1 . 1 5 5 GLN CA C 13 55.77346171 0 . 1 . . . . . 221 GLN CA . 53286 1 22 . 1 . 1 5 5 GLN CB C 13 29.50872958 0.001749533 . 1 . . . . . 221 GLN CB . 53286 1 23 . 1 . 1 5 5 GLN N N 15 121.9163996 0.010091969 . 1 . . . . . 221 GLN N . 53286 1 24 . 1 . 1 6 6 VAL H H 1 8.289042252 0.000660764 . 1 . . . . . 222 VAL H . 53286 1 25 . 1 . 1 6 6 VAL C C 13 176.3742692 0.031812752 . 1 . . . . . 222 VAL C . 53286 1 26 . 1 . 1 6 6 VAL CA C 13 62.34924549 0.002062947 . 1 . . . . . 222 VAL CA . 53286 1 27 . 1 . 1 6 6 VAL CB C 13 32.8197159 0.046508315 . 1 . . . . . 222 VAL CB . 53286 1 28 . 1 . 1 6 6 VAL N N 15 121.8243276 0.007886283 . 1 . . . . . 222 VAL N . 53286 1 29 . 1 . 1 7 7 THR H H 1 8.27552431 0.001275329 . 1 . . . . . 223 THR H . 53286 1 30 . 1 . 1 7 7 THR C C 13 174.4623612 0.007470866 . 1 . . . . . 223 THR C . 53286 1 31 . 1 . 1 7 7 THR CA C 13 61.7790527 0.0058586 . 1 . . . . . 223 THR CA . 53286 1 32 . 1 . 1 7 7 THR CB C 13 69.90656839 0.029558396 . 1 . . . . . 223 THR CB . 53286 1 33 . 1 . 1 7 7 THR N N 15 118.2935983 0.011570227 . 1 . . . . . 223 THR N . 53286 1 34 . 1 . 1 8 8 SER H H 1 8.373065049 0.001901922 . 1 . . . . . 224 SER H . 53286 1 35 . 1 . 1 8 8 SER C C 13 173.0507279 0 . 1 . . . . . 224 SER C . 53286 1 36 . 1 . 1 8 8 SER CA C 13 56.36042245 0 . 1 . . . . . 224 SER CA . 53286 1 37 . 1 . 1 8 8 SER CB C 13 63.42491078 0 . 1 . . . . . 224 SER CB . 53286 1 38 . 1 . 1 8 8 SER N N 15 119.7435261 0.006892683 . 1 . . . . . 224 SER N . 53286 1 39 . 1 . 1 14 14 HIS C C 13 174.9468066 0 . 1 . . . . . 230 HIS C . 53286 1 40 . 1 . 1 14 14 HIS CA C 13 55.90794537 0 . 1 . . . . . 230 HIS CA . 53286 1 41 . 1 . 1 14 14 HIS CB C 13 30.8155264 0 . 1 . . . . . 230 HIS CB . 53286 1 42 . 1 . 1 15 15 ALA H H 1 8.152015075 0.001527221 . 1 . . . . . 231 ALA H . 53286 1 43 . 1 . 1 15 15 ALA C C 13 177.2203797 0.027278362 . 1 . . . . . 231 ALA C . 53286 1 44 . 1 . 1 15 15 ALA CA C 13 52.3541288 0.026396673 . 1 . . . . . 231 ALA CA . 53286 1 45 . 1 . 1 15 15 ALA CB C 13 19.41078059 0.013057193 . 1 . . . . . 231 ALA CB . 53286 1 46 . 1 . 1 15 15 ALA N N 15 125.0954229 0.009961661 . 1 . . . . . 231 ALA N . 53286 1 47 . 1 . 1 16 16 VAL H H 1 8.154708174 0.000389641 . 1 . . . . . 232 VAL H . 53286 1 48 . 1 . 1 16 16 VAL C C 13 175.9966832 0 . 1 . . . . . 232 VAL C . 53286 1 49 . 1 . 1 16 16 VAL CA C 13 62.24612167 0.015176335 . 1 . . . . . 232 VAL CA . 53286 1 50 . 1 . 1 16 16 VAL CB C 13 32.7395279 0.00154136 . 1 . . . . . 232 VAL CB . 53286 1 51 . 1 . 1 16 16 VAL N N 15 120.409653 0.004288956 . 1 . . . . . 232 VAL N . 53286 1 52 . 1 . 1 17 17 ILE H H 1 8.334318654 0.000390178 . 1 . . . . . 233 ILE H . 53286 1 53 . 1 . 1 17 17 ILE C C 13 174.6742109 0 . 1 . . . . . 233 ILE C . 53286 1 54 . 1 . 1 17 17 ILE CA C 13 58.43691173 0 . 1 . . . . . 233 ILE CA . 53286 1 55 . 1 . 1 17 17 ILE CB C 13 38.56309751 0 . 1 . . . . . 233 ILE CB . 53286 1 56 . 1 . 1 17 17 ILE N N 15 127.2539222 0.012726752 . 1 . . . . . 233 ILE N . 53286 1 57 . 1 . 1 18 18 PRO C C 13 176.8413728 0 . 1 . . . . . 234 PRO C . 53286 1 58 . 1 . 1 18 18 PRO CA C 13 63.3413761 0 . 1 . . . . . 234 PRO CA . 53286 1 59 . 1 . 1 18 18 PRO CB C 13 32.23961795 0 . 1 . . . . . 234 PRO CB . 53286 1 60 . 1 . 1 19 19 ALA H H 1 8.410113928 0.000637182 . 1 . . . . . 235 ALA H . 53286 1 61 . 1 . 1 19 19 ALA C C 13 177.7352066 0.020474142 . 1 . . . . . 235 ALA C . 53286 1 62 . 1 . 1 19 19 ALA CA C 13 52.83838735 0.00579968 . 1 . . . . . 235 ALA CA . 53286 1 63 . 1 . 1 19 19 ALA CB C 13 19.24457281 0.002858745 . 1 . . . . . 235 ALA CB . 53286 1 64 . 1 . 1 19 19 ALA N N 15 124.2035956 0.018320273 . 1 . . . . . 235 ALA N . 53286 1 65 . 1 . 1 20 20 ASP H H 1 8.294270049 0.000304812 . 1 . . . . . 236 ASP H . 53286 1 66 . 1 . 1 20 20 ASP C C 13 176.5153887 0.029615745 . 1 . . . . . 236 ASP C . 53286 1 67 . 1 . 1 20 20 ASP CA C 13 54.4205206 0.001607402 . 1 . . . . . 236 ASP CA . 53286 1 68 . 1 . 1 20 20 ASP CB C 13 40.90540751 0.000151142 . 1 . . . . . 236 ASP CB . 53286 1 69 . 1 . 1 20 20 ASP N N 15 118.386405 0.005346552 . 1 . . . . . 236 ASP N . 53286 1 70 . 1 . 1 21 21 GLN H H 1 8.189011754 0.00085829 . 1 . . . . . 237 GLN H . 53286 1 71 . 1 . 1 21 21 GLN C C 13 175.8878197 0.013835652 . 1 . . . . . 237 GLN C . 53286 1 72 . 1 . 1 21 21 GLN CA C 13 56.0539088 0.017730721 . 1 . . . . . 237 GLN CA . 53286 1 73 . 1 . 1 21 21 GLN CB C 13 29.59478162 0.019415087 . 1 . . . . . 237 GLN CB . 53286 1 74 . 1 . 1 21 21 GLN N N 15 119.8320492 0.002620791 . 1 . . . . . 237 GLN N . 53286 1 75 . 1 . 1 22 22 ASP H H 1 8.358109348 0.000558266 . 1 . . . . . 238 ASP H . 53286 1 76 . 1 . 1 22 22 ASP C C 13 176.5641462 0.010001384 . 1 . . . . . 238 ASP C . 53286 1 77 . 1 . 1 22 22 ASP CA C 13 54.45475304 0.006345024 . 1 . . . . . 238 ASP CA . 53286 1 78 . 1 . 1 22 22 ASP CB C 13 41.20809294 0.014982916 . 1 . . . . . 238 ASP CB . 53286 1 79 . 1 . 1 22 22 ASP N N 15 121.3498244 0.006465254 . 1 . . . . . 238 ASP N . 53286 1 80 . 1 . 1 23 23 CYS H H 1 8.396415861 0.002025316 . 1 . . . . . 239 CYS H . 53286 1 81 . 1 . 1 23 23 CYS C C 13 175.4566816 0 . 1 . . . . . 239 CYS C . 53286 1 82 . 1 . 1 23 23 CYS CA C 13 59.01379038 0 . 1 . . . . . 239 CYS CA . 53286 1 83 . 1 . 1 23 23 CYS CB C 13 27.72785753 0 . 1 . . . . . 239 CYS CB . 53286 1 84 . 1 . 1 23 23 CYS N N 15 120.3623565 0.01004433 . 1 . . . . . 239 CYS N . 53286 1 85 . 1 . 1 25 25 SER C C 13 175.0468124 0 . 1 . . . . . 241 SER C . 53286 1 86 . 1 . 1 25 25 SER CA C 13 58.89696268 0 . 1 . . . . . 241 SER CA . 53286 1 87 . 1 . 1 25 25 SER CB C 13 63.51401733 0 . 1 . . . . . 241 SER CB . 53286 1 88 . 1 . 1 26 26 ARG H H 1 8.179619909 0.000724782 . 1 . . . . . 242 ARG H . 53286 1 89 . 1 . 1 26 26 ARG C C 13 176.4923133 0.024311426 . 1 . . . . . 242 ARG C . 53286 1 90 . 1 . 1 26 26 ARG CA C 13 56.4214535 0.024139325 . 1 . . . . . 242 ARG CA . 53286 1 91 . 1 . 1 26 26 ARG CB C 13 30.70181049 0.030990535 . 1 . . . . . 242 ARG CB . 53286 1 92 . 1 . 1 26 26 ARG N N 15 122.5520943 0.009283434 . 1 . . . . . 242 ARG N . 53286 1 93 . 1 . 1 27 27 SER H H 1 8.263170623 0.002664144 . 1 . . . . . 243 SER H . 53286 1 94 . 1 . 1 27 27 SER C C 13 174.9041771 0.036019728 . 1 . . . . . 243 SER C . 53286 1 95 . 1 . 1 27 27 SER CA C 13 58.55377533 0.006940735 . 1 . . . . . 243 SER CA . 53286 1 96 . 1 . 1 27 27 SER CB C 13 63.67392564 0.0054476 . 1 . . . . . 243 SER CB . 53286 1 97 . 1 . 1 27 27 SER N N 15 116.4965275 0.009746149 . 1 . . . . . 243 SER N . 53286 1 98 . 1 . 1 28 28 LEU H H 1 8.292676358 0.000378686 . 1 . . . . . 244 LEU H . 53286 1 99 . 1 . 1 28 28 LEU C C 13 177.5937543 0.034992577 . 1 . . . . . 244 LEU C . 53286 1 100 . 1 . 1 28 28 LEU CA C 13 55.48659232 0.013944436 . 1 . . . . . 244 LEU CA . 53286 1 101 . 1 . 1 28 28 LEU CB C 13 42.34047486 0.008082302 . 1 . . . . . 244 LEU CB . 53286 1 102 . 1 . 1 28 28 LEU N N 15 124.1566163 0.007023087 . 1 . . . . . 244 LEU N . 53286 1 103 . 1 . 1 29 29 SER H H 1 8.28696665 0.001526201 . 1 . . . . . 245 SER H . 53286 1 104 . 1 . 1 29 29 SER C C 13 174.9574493 0 . 1 . . . . . 245 SER C . 53286 1 105 . 1 . 1 29 29 SER CA C 13 58.55949284 0 . 1 . . . . . 245 SER CA . 53286 1 106 . 1 . 1 29 29 SER CB C 13 63.76627378 0 . 1 . . . . . 245 SER CB . 53286 1 107 . 1 . 1 29 29 SER N N 15 116.169261 0.011240603 . 1 . . . . . 245 SER N . 53286 1 108 . 1 . 1 31 31 SER C C 13 174.7373471 0 . 1 . . . . . 247 SER C . 53286 1 109 . 1 . 1 31 31 SER CA C 13 58.69562864 0 . 1 . . . . . 247 SER CA . 53286 1 110 . 1 . 1 31 31 SER CB C 13 63.7144041 0 . 1 . . . . . 247 SER CB . 53286 1 111 . 1 . 1 32 32 ALA H H 1 8.271174882 0.001003354 . 1 . . . . . 248 ALA H . 53286 1 112 . 1 . 1 32 32 ALA C C 13 178.0562812 0.006326511 . 1 . . . . . 248 ALA C . 53286 1 113 . 1 . 1 32 32 ALA CA C 13 53.01014089 0.023624575 . 1 . . . . . 248 ALA CA . 53286 1 114 . 1 . 1 32 32 ALA CB C 13 19.14492056 0.02092056 . 1 . . . . . 248 ALA CB . 53286 1 115 . 1 . 1 32 32 ALA N N 15 126.1792606 0.015777343 . 1 . . . . . 248 ALA N . 53286 1 116 . 1 . 1 33 33 VAL H H 1 8.021792763 0.000204383 . 1 . . . . . 249 VAL H . 53286 1 117 . 1 . 1 33 33 VAL C C 13 176.8618762 0.013062295 . 1 . . . . . 249 VAL C . 53286 1 118 . 1 . 1 33 33 VAL CA C 13 63.05894489 0.036106187 . 1 . . . . . 249 VAL CA . 53286 1 119 . 1 . 1 33 33 VAL CB C 13 32.59936068 0.005681578 . 1 . . . . . 249 VAL CB . 53286 1 120 . 1 . 1 33 33 VAL N N 15 118.9972255 0.001363771 . 1 . . . . . 249 VAL N . 53286 1 121 . 1 . 1 34 34 GLU H H 1 8.400709981 0.000630672 . 1 . . . . . 250 GLU H . 53286 1 122 . 1 . 1 34 34 GLU C C 13 176.9920686 0.021966406 . 1 . . . . . 250 GLU C . 53286 1 123 . 1 . 1 34 34 GLU CA C 13 57.12837117 0.013870072 . 1 . . . . . 250 GLU CA . 53286 1 124 . 1 . 1 34 34 GLU CB C 13 30.24042355 0.002228299 . 1 . . . . . 250 GLU CB . 53286 1 125 . 1 . 1 34 34 GLU N N 15 124.0729257 0.01618474 . 1 . . . . . 250 GLU N . 53286 1 126 . 1 . 1 35 35 SER H H 1 8.420538172 0.001200602 . 1 . . . . . 251 SER H . 53286 1 127 . 1 . 1 35 35 SER C C 13 175.4653888 0.019690209 . 1 . . . . . 251 SER C . 53286 1 128 . 1 . 1 35 35 SER CA C 13 59.00278209 0.026729287 . 1 . . . . . 251 SER CA . 53286 1 129 . 1 . 1 35 35 SER CB C 13 63.90860158 0.013109086 . 1 . . . . . 251 SER CB . 53286 1 130 . 1 . 1 35 35 SER N N 15 117.1276078 0.004784323 . 1 . . . . . 251 SER N . 53286 1 131 . 1 . 1 36 36 GLU H H 1 8.502514191 0.00120544 . 1 . . . . . 252 GLU H . 53286 1 132 . 1 . 1 36 36 GLU C C 13 177.5327741 0.035110296 . 1 . . . . . 252 GLU C . 53286 1 133 . 1 . 1 36 36 GLU CA C 13 58.29056996 0.022256405 . 1 . . . . . 252 GLU CA . 53286 1 134 . 1 . 1 36 36 GLU CB C 13 29.75158113 0.040937323 . 1 . . . . . 252 GLU CB . 53286 1 135 . 1 . 1 36 36 GLU N N 15 123.1480421 0.013600129 . 1 . . . . . 252 GLU N . 53286 1 136 . 1 . 1 37 37 ALA H H 1 8.307854911 0.000901994 . 1 . . . . . 253 ALA H . 53286 1 137 . 1 . 1 37 37 ALA C C 13 179.6659214 0.013632329 . 1 . . . . . 253 ALA C . 53286 1 138 . 1 . 1 37 37 ALA CA C 13 54.23328098 0.010828447 . 1 . . . . . 253 ALA CA . 53286 1 139 . 1 . 1 37 37 ALA CB C 13 18.55140059 0.025557136 . 1 . . . . . 253 ALA CB . 53286 1 140 . 1 . 1 37 37 ALA N N 15 122.9492621 0.006414586 . 1 . . . . . 253 ALA N . 53286 1 141 . 1 . 1 38 38 THR H H 1 8.111798788 0.002187515 . 1 . . . . . 254 THR H . 53286 1 142 . 1 . 1 38 38 THR C C 13 175.9162597 0 . 1 . . . . . 254 THR C . 53286 1 143 . 1 . 1 38 38 THR CA C 13 65.10081691 0 . 1 . . . . . 254 THR CA . 53286 1 144 . 1 . 1 38 38 THR CB C 13 68.90957404 0 . 1 . . . . . 254 THR CB . 53286 1 145 . 1 . 1 38 38 THR N N 15 114.5571694 0.024317677 . 1 . . . . . 254 THR N . 53286 1 146 . 1 . 1 39 39 HIS C C 13 177.1056571 0 . 1 . . . . . 255 HIS C . 53286 1 147 . 1 . 1 39 39 HIS CA C 13 58.8731132 0 . 1 . . . . . 255 HIS CA . 53286 1 148 . 1 . 1 39 39 HIS CB C 13 30.38981939 0 . 1 . . . . . 255 HIS CB . 53286 1 149 . 1 . 1 40 40 GLN H H 1 8.316263536 0.001472886 . 1 . . . . . 256 GLN H . 53286 1 150 . 1 . 1 40 40 GLN C C 13 177.8646073 0.018427253 . 1 . . . . . 256 GLN C . 53286 1 151 . 1 . 1 40 40 GLN CA C 13 58.05161192 0.004696855 . 1 . . . . . 256 GLN CA . 53286 1 152 . 1 . 1 40 40 GLN CB C 13 28.42650877 0.039268153 . 1 . . . . . 256 GLN CB . 53286 1 153 . 1 . 1 40 40 GLN N N 15 118.3341175 0.011597841 . 1 . . . . . 256 GLN N . 53286 1 154 . 1 . 1 41 41 ARG H H 1 8.141576418 0.000728829 . 1 . . . . . 257 ARG H . 53286 1 155 . 1 . 1 41 41 ARG C C 13 178.1488808 0.008655918 . 1 . . . . . 257 ARG C . 53286 1 156 . 1 . 1 41 41 ARG CA C 13 58.81701508 0.023059373 . 1 . . . . . 257 ARG CA . 53286 1 157 . 1 . 1 41 41 ARG CB C 13 30.1726271 0.049469785 . 1 . . . . . 257 ARG CB . 53286 1 158 . 1 . 1 41 41 ARG N N 15 120.7792107 0.014125858 . 1 . . . . . 257 ARG N . 53286 1 159 . 1 . 1 42 42 LYS H H 1 8.110062416 0.001862257 . 1 . . . . . 258 LYS H . 53286 1 160 . 1 . 1 42 42 LYS C C 13 178.5310296 0.014936937 . 1 . . . . . 258 LYS C . 53286 1 161 . 1 . 1 42 42 LYS CA C 13 58.66388978 0.022052342 . 1 . . . . . 258 LYS CA . 53286 1 162 . 1 . 1 42 42 LYS CB C 13 32.30528718 0.007989373 . 1 . . . . . 258 LYS CB . 53286 1 163 . 1 . 1 42 42 LYS N N 15 120.4203349 0.01003931 . 1 . . . . . 258 LYS N . 53286 1 164 . 1 . 1 43 43 LEU H H 1 8.016388408 0.000846373 . 1 . . . . . 259 LEU H . 53286 1 165 . 1 . 1 43 43 LEU C C 13 178.6978533 0.059870332 . 1 . . . . . 259 LEU C . 53286 1 166 . 1 . 1 43 43 LEU CA C 13 57.1347396 0.024442902 . 1 . . . . . 259 LEU CA . 53286 1 167 . 1 . 1 43 43 LEU CB C 13 41.86219526 0.032460358 . 1 . . . . . 259 LEU CB . 53286 1 168 . 1 . 1 43 43 LEU N N 15 121.3048253 0.005149928 . 1 . . . . . 259 LEU N . 53286 1 169 . 1 . 1 44 44 ARG H H 1 8.095468798 0.000361903 . 1 . . . . . 260 ARG H . 53286 1 170 . 1 . 1 44 44 ARG C C 13 177.8481322 0.024522421 . 1 . . . . . 260 ARG C . 53286 1 171 . 1 . 1 44 44 ARG CA C 13 57.97714187 0.005281651 . 1 . . . . . 260 ARG CA . 53286 1 172 . 1 . 1 44 44 ARG CB C 13 30.16393853 0.055845882 . 1 . . . . . 260 ARG CB . 53286 1 173 . 1 . 1 44 44 ARG N N 15 120.1627128 0.006855216 . 1 . . . . . 260 ARG N . 53286 1 174 . 1 . 1 45 45 GLN H H 1 8.139044414 0.001315519 . 1 . . . . . 261 GLN H . 53286 1 175 . 1 . 1 45 45 GLN C C 13 177.6153649 0.028612528 . 1 . . . . . 261 GLN C . 53286 1 176 . 1 . 1 45 45 GLN CA C 13 58.0610281 0.02399291 . 1 . . . . . 261 GLN CA . 53286 1 177 . 1 . 1 45 45 GLN CB C 13 28.66516982 0.084636069 . 1 . . . . . 261 GLN CB . 53286 1 178 . 1 . 1 45 45 GLN N N 15 119.2986764 0.009702928 . 1 . . . . . 261 GLN N . 53286 1 179 . 1 . 1 46 46 LYS H H 1 8.074336299 0.000875906 . 1 . . . . . 262 LYS H . 53286 1 180 . 1 . 1 46 46 LYS C C 13 178.1989889 0.002277193 . 1 . . . . . 262 LYS C . 53286 1 181 . 1 . 1 46 46 LYS CA C 13 58.50814744 0.040138906 . 1 . . . . . 262 LYS CA . 53286 1 182 . 1 . 1 46 46 LYS CB C 13 32.45357496 0.036425359 . 1 . . . . . 262 LYS CB . 53286 1 183 . 1 . 1 46 46 LYS N N 15 120.6250905 0.001465128 . 1 . . . . . 262 LYS N . 53286 1 184 . 1 . 1 47 47 GLN H H 1 8.166167399 0.001127592 . 1 . . . . . 263 GLN H . 53286 1 185 . 1 . 1 47 47 GLN C C 13 177.6875491 0.03583269 . 1 . . . . . 263 GLN C . 53286 1 186 . 1 . 1 47 47 GLN CA C 13 57.71144881 0.004807081 . 1 . . . . . 263 GLN CA . 53286 1 187 . 1 . 1 47 47 GLN CB C 13 28.75294803 0.01328124 . 1 . . . . . 263 GLN CB . 53286 1 188 . 1 . 1 47 47 GLN N N 15 120.0643243 0.006249337 . 1 . . . . . 263 GLN N . 53286 1 189 . 1 . 1 48 48 LEU H H 1 8.20582665 0.000633211 . 1 . . . . . 264 LEU H . 53286 1 190 . 1 . 1 48 48 LEU C C 13 178.6780743 0.027341458 . 1 . . . . . 264 LEU C . 53286 1 191 . 1 . 1 48 48 LEU CA C 13 56.97101352 0.010596055 . 1 . . . . . 264 LEU CA . 53286 1 192 . 1 . 1 48 48 LEU CB C 13 42.01153457 0.041514335 . 1 . . . . . 264 LEU CB . 53286 1 193 . 1 . 1 48 48 LEU N N 15 121.4747656 0.008211443 . 1 . . . . . 264 LEU N . 53286 1 194 . 1 . 1 49 49 GLN H H 1 8.190469889 0.001796642 . 1 . . . . . 265 GLN H . 53286 1 195 . 1 . 1 49 49 GLN C C 13 177.4538775 0 . 1 . . . . . 265 GLN C . 53286 1 196 . 1 . 1 49 49 GLN CA C 13 57.60793553 0 . 1 . . . . . 265 GLN CA . 53286 1 197 . 1 . 1 49 49 GLN CB C 13 28.74639342 0 . 1 . . . . . 265 GLN CB . 53286 1 198 . 1 . 1 49 49 GLN N N 15 119.51768 0.011700757 . 1 . . . . . 265 GLN N . 53286 1 199 . 1 . 1 50 50 GLN C C 13 177.0976859 0 . 1 . . . . . 266 GLN C . 53286 1 200 . 1 . 1 50 50 GLN CA C 13 57.60356766 0 . 1 . . . . . 266 GLN CA . 53286 1 201 . 1 . 1 50 50 GLN CB C 13 28.7018218 0 . 1 . . . . . 266 GLN CB . 53286 1 202 . 1 . 1 51 51 GLN H H 1 8.24964931 0.000772633 . 1 . . . . . 267 GLN H . 53286 1 203 . 1 . 1 51 51 GLN C C 13 177.1711176 0.030406811 . 1 . . . . . 267 GLN C . 53286 1 204 . 1 . 1 51 51 GLN CA C 13 57.5353559 0.011514064 . 1 . . . . . 267 GLN CA . 53286 1 205 . 1 . 1 51 51 GLN CB C 13 28.81448706 0.035145943 . 1 . . . . . 267 GLN CB . 53286 1 206 . 1 . 1 51 51 GLN N N 15 119.7158955 0.011559317 . 1 . . . . . 267 GLN N . 53286 1 207 . 1 . 1 52 52 PHE H H 1 8.190426524 0.000959842 . 1 . . . . . 268 PHE H . 53286 1 208 . 1 . 1 52 52 PHE C C 13 176.6543447 0.023697653 . 1 . . . . . 268 PHE C . 53286 1 209 . 1 . 1 52 52 PHE CA C 13 59.39294647 0.00218307 . 1 . . . . . 268 PHE CA . 53286 1 210 . 1 . 1 52 52 PHE CB C 13 39.0906069 0.02786738 . 1 . . . . . 268 PHE CB . 53286 1 211 . 1 . 1 52 52 PHE N N 15 120.4679269 0.021435191 . 1 . . . . . 268 PHE N . 53286 1 212 . 1 . 1 53 53 ARG H H 1 8.119760867 0.001463172 . 1 . . . . . 269 ARG H . 53286 1 213 . 1 . 1 53 53 ARG C C 13 177.3263256 0.027147033 . 1 . . . . . 269 ARG C . 53286 1 214 . 1 . 1 53 53 ARG CA C 13 57.81739956 0.020548601 . 1 . . . . . 269 ARG CA . 53286 1 215 . 1 . 1 53 53 ARG CB C 13 30.46846839 0.037949268 . 1 . . . . . 269 ARG CB . 53286 1 216 . 1 . 1 53 53 ARG N N 15 121.1456111 0.012386132 . 1 . . . . . 269 ARG N . 53286 1 217 . 1 . 1 54 54 GLU H H 1 8.329071166 0.000336841 . 1 . . . . . 270 GLU H . 53286 1 218 . 1 . 1 54 54 GLU C C 13 177.4860024 0.044618616 . 1 . . . . . 270 GLU C . 53286 1 219 . 1 . 1 54 54 GLU CA C 13 57.96928951 0.006011645 . 1 . . . . . 270 GLU CA . 53286 1 220 . 1 . 1 54 54 GLU CB C 13 30.00704234 0.099341593 . 1 . . . . . 270 GLU CB . 53286 1 221 . 1 . 1 54 54 GLU N N 15 120.1419566 0.015763013 . 1 . . . . . 270 GLU N . 53286 1 222 . 1 . 1 55 55 ARG H H 1 8.076251678 0.001297215 . 1 . . . . . 271 ARG H . 53286 1 223 . 1 . 1 55 55 ARG C C 13 177.3297506 0.003397368 . 1 . . . . . 271 ARG C . 53286 1 224 . 1 . 1 55 55 ARG CA C 13 57.39546753 0.000355187 . 1 . . . . . 271 ARG CA . 53286 1 225 . 1 . 1 55 55 ARG CB C 13 30.38365683 0.046520502 . 1 . . . . . 271 ARG CB . 53286 1 226 . 1 . 1 55 55 ARG N N 15 120.1003568 0.018803053 . 1 . . . . . 271 ARG N . 53286 1 227 . 1 . 1 56 56 MET H H 1 8.132847199 0.000816313 . 1 . . . . . 272 MET H . 53286 1 228 . 1 . 1 56 56 MET C C 13 177.2544821 0.011061922 . 1 . . . . . 272 MET C . 53286 1 229 . 1 . 1 56 56 MET CA C 13 56.19882362 0.050002045 . 1 . . . . . 272 MET CA . 53286 1 230 . 1 . 1 56 56 MET CB C 13 32.56270357 0 . 1 . . . . . 272 MET CB . 53286 1 231 . 1 . 1 56 56 MET N N 15 119.938066 0.006111373 . 1 . . . . . 272 MET N . 53286 1 232 . 1 . 1 57 57 GLU H H 1 8.308861269 0.000778593 . 1 . . . . . 273 GLU H . 53286 1 233 . 1 . 1 57 57 GLU C C 13 177.2031982 0.014534798 . 1 . . . . . 273 GLU C . 53286 1 234 . 1 . 1 57 57 GLU CA C 13 57.37117963 0.005351801 . 1 . . . . . 273 GLU CA . 53286 1 235 . 1 . 1 57 57 GLU CB C 13 30.09188001 0.003611611 . 1 . . . . . 273 GLU CB . 53286 1 236 . 1 . 1 57 57 GLU N N 15 121.2510698 0.011809425 . 1 . . . . . 273 GLU N . 53286 1 237 . 1 . 1 58 58 LYS H H 1 8.120949903 0.000991075 . 1 . . . . . 274 LYS H . 53286 1 238 . 1 . 1 58 58 LYS C C 13 176.932348 0.000998221 . 1 . . . . . 274 LYS C . 53286 1 239 . 1 . 1 58 58 LYS CA C 13 56.90552686 0.01976543 . 1 . . . . . 274 LYS CA . 53286 1 240 . 1 . 1 58 58 LYS CB C 13 32.81264562 0.015549873 . 1 . . . . . 274 LYS CB . 53286 1 241 . 1 . 1 58 58 LYS N N 15 120.6835584 0.01344074 . 1 . . . . . 274 LYS N . 53286 1 242 . 1 . 1 59 59 GLN H H 1 8.18303691 0.001339416 . 1 . . . . . 275 GLN H . 53286 1 243 . 1 . 1 59 59 GLN C C 13 176.1070542 0.032273892 . 1 . . . . . 275 GLN C . 53286 1 244 . 1 . 1 59 59 GLN CA C 13 56.097998 0.037953707 . 1 . . . . . 275 GLN CA . 53286 1 245 . 1 . 1 59 59 GLN CB C 13 29.28315459 0.027469086 . 1 . . . . . 275 GLN CB . 53286 1 246 . 1 . 1 59 59 GLN N N 15 120.19797 0.008029708 . 1 . . . . . 275 GLN N . 53286 1 247 . 1 . 1 60 60 GLN H H 1 8.295394507 0.000703144 . 1 . . . . . 276 GLN H . 53286 1 248 . 1 . 1 60 60 GLN C C 13 176.0131627 0.010291891 . 1 . . . . . 276 GLN C . 53286 1 249 . 1 . 1 60 60 GLN CA C 13 55.94814783 0.05816313 . 1 . . . . . 276 GLN CA . 53286 1 250 . 1 . 1 60 60 GLN CB C 13 29.35801777 0.011790689 . 1 . . . . . 276 GLN CB . 53286 1 251 . 1 . 1 60 60 GLN N N 15 121.2042662 0.012087086 . 1 . . . . . 276 GLN N . 53286 1 252 . 1 . 1 61 61 VAL H H 1 8.154261346 0.000579901 . 1 . . . . . 277 VAL H . 53286 1 253 . 1 . 1 61 61 VAL C C 13 176.0292145 0.034389299 . 1 . . . . . 277 VAL C . 53286 1 254 . 1 . 1 61 61 VAL CA C 13 62.50627143 0.01469129 . 1 . . . . . 277 VAL CA . 53286 1 255 . 1 . 1 61 61 VAL CB C 13 32.65925322 0.04521212 . 1 . . . . . 277 VAL CB . 53286 1 256 . 1 . 1 61 61 VAL N N 15 121.7188586 0.014007371 . 1 . . . . . 277 VAL N . 53286 1 257 . 1 . 1 62 62 ARG H H 1 8.423799538 0.000999322 . 1 . . . . . 278 ARG H . 53286 1 258 . 1 . 1 62 62 ARG C C 13 176.1432043 0.044300549 . 1 . . . . . 278 ARG C . 53286 1 259 . 1 . 1 62 62 ARG CA C 13 55.89130916 0.024048292 . 1 . . . . . 278 ARG CA . 53286 1 260 . 1 . 1 62 62 ARG CB C 13 30.9604454 0.012233171 . 1 . . . . . 278 ARG CB . 53286 1 261 . 1 . 1 62 62 ARG N N 15 125.4813844 0.010237802 . 1 . . . . . 278 ARG N . 53286 1 262 . 1 . 1 63 63 VAL H H 1 8.266747178 0.000827964 . 1 . . . . . 279 VAL H . 53286 1 263 . 1 . 1 63 63 VAL C C 13 176.1547854 0.019120887 . 1 . . . . . 279 VAL C . 53286 1 264 . 1 . 1 63 63 VAL CA C 13 62.14968152 0.042501878 . 1 . . . . . 279 VAL CA . 53286 1 265 . 1 . 1 63 63 VAL CB C 13 32.95368407 0.020063979 . 1 . . . . . 279 VAL CB . 53286 1 266 . 1 . 1 63 63 VAL N N 15 122.012785 0.007575695 . 1 . . . . . 279 VAL N . 53286 1 267 . 1 . 1 64 64 SER H H 1 8.4521446 0.001826016 . 1 . . . . . 280 SER H . 53286 1 268 . 1 . 1 64 64 SER C C 13 174.4215526 0.001664431 . 1 . . . . . 280 SER C . 53286 1 269 . 1 . 1 64 64 SER CA C 13 58.22885105 0.004773229 . 1 . . . . . 280 SER CA . 53286 1 270 . 1 . 1 64 64 SER CB C 13 63.90173507 0.009971156 . 1 . . . . . 280 SER CB . 53286 1 271 . 1 . 1 64 64 SER N N 15 119.9486288 0.007065966 . 1 . . . . . 280 SER N . 53286 1 272 . 1 . 1 65 65 THR H H 1 8.217582802 0.00101859 . 1 . . . . . 281 THR H . 53286 1 273 . 1 . 1 65 65 THR C C 13 173.2250221 0 . 1 . . . . . 281 THR C . 53286 1 274 . 1 . 1 65 65 THR CA C 13 59.82294201 0 . 1 . . . . . 281 THR CA . 53286 1 275 . 1 . 1 65 65 THR CB C 13 69.80237713 0 . 1 . . . . . 281 THR CB . 53286 1 276 . 1 . 1 65 65 THR N N 15 118.5482512 0.005478184 . 1 . . . . . 281 THR N . 53286 1 277 . 1 . 1 66 66 PRO C C 13 177.0794209 0 . 1 . . . . . 282 PRO C . 53286 1 278 . 1 . 1 66 66 PRO CA C 13 63.51803609 0 . 1 . . . . . 282 PRO CA . 53286 1 279 . 1 . 1 66 66 PRO CB C 13 32.14968723 0 . 1 . . . . . 282 PRO CB . 53286 1 280 . 1 . 1 67 67 SER H H 1 8.416006097 0.001448563 . 1 . . . . . 283 SER H . 53286 1 281 . 1 . 1 67 67 SER C C 13 174.70443 0.027942088 . 1 . . . . . 283 SER C . 53286 1 282 . 1 . 1 67 67 SER CA C 13 58.52003049 0.012399641 . 1 . . . . . 283 SER CA . 53286 1 283 . 1 . 1 67 67 SER CB C 13 63.81267065 0.013957903 . 1 . . . . . 283 SER CB . 53286 1 284 . 1 . 1 67 67 SER N N 15 116.2366773 0.012667582 . 1 . . . . . 283 SER N . 53286 1 285 . 1 . 1 68 68 ALA H H 1 8.38942256 0.00065322 . 1 . . . . . 284 ALA H . 53286 1 286 . 1 . 1 68 68 ALA C C 13 177.7066925 0.031404761 . 1 . . . . . 284 ALA C . 53286 1 287 . 1 . 1 68 68 ALA CA C 13 52.65103377 0.019945873 . 1 . . . . . 284 ALA CA . 53286 1 288 . 1 . 1 68 68 ALA CB C 13 19.32576564 0.017823333 . 1 . . . . . 284 ALA CB . 53286 1 289 . 1 . 1 68 68 ALA N N 15 126.1392131 0.012326849 . 1 . . . . . 284 ALA N . 53286 1 290 . 1 . 1 69 69 GLU H H 1 8.33576243 0.000531904 . 1 . . . . . 285 GLU H . 53286 1 291 . 1 . 1 69 69 GLU C C 13 176.6028343 0.018209953 . 1 . . . . . 285 GLU C . 53286 1 292 . 1 . 1 69 69 GLU CA C 13 56.75597728 0.009116203 . 1 . . . . . 285 GLU CA . 53286 1 293 . 1 . 1 69 69 GLU CB C 13 30.25897941 0.027838526 . 1 . . . . . 285 GLU CB . 53286 1 294 . 1 . 1 69 69 GLU N N 15 120.0214811 0.00643739 . 1 . . . . . 285 GLU N . 53286 1 295 . 1 . 1 70 70 LYS H H 1 8.323768776 0.000758479 . 1 . . . . . 286 LYS H . 53286 1 296 . 1 . 1 70 70 LYS C C 13 176.5397269 0.024055133 . 1 . . . . . 286 LYS C . 53286 1 297 . 1 . 1 70 70 LYS CA C 13 56.21267164 0.008039315 . 1 . . . . . 286 LYS CA . 53286 1 298 . 1 . 1 70 70 LYS CB C 13 33.04554906 0.001742653 . 1 . . . . . 286 LYS CB . 53286 1 299 . 1 . 1 70 70 LYS N N 15 122.3065894 0.006581151 . 1 . . . . . 286 LYS N . 53286 1 300 . 1 . 1 71 71 SER H H 1 8.354674209 0.000753866 . 1 . . . . . 287 SER H . 53286 1 301 . 1 . 1 71 71 SER C C 13 174.736027 0.03164591 . 1 . . . . . 287 SER C . 53286 1 302 . 1 . 1 71 71 SER CA C 13 58.43317605 0.014708224 . 1 . . . . . 287 SER CA . 53286 1 303 . 1 . 1 71 71 SER CB C 13 63.8710538 0.002384635 . 1 . . . . . 287 SER CB . 53286 1 304 . 1 . 1 71 71 SER N N 15 117.4242681 0.004016841 . 1 . . . . . 287 SER N . 53286 1 305 . 1 . 1 72 72 GLU H H 1 8.477574016 0.000864327 . 1 . . . . . 288 GLU H . 53286 1 306 . 1 . 1 72 72 GLU C C 13 176.0334462 0.026488058 . 1 . . . . . 288 GLU C . 53286 1 307 . 1 . 1 72 72 GLU CA C 13 56.4017843 0.013749846 . 1 . . . . . 288 GLU CA . 53286 1 308 . 1 . 1 72 72 GLU CB C 13 30.41418995 0.004726133 . 1 . . . . . 288 GLU CB . 53286 1 309 . 1 . 1 72 72 GLU N N 15 123.1297585 0.006018452 . 1 . . . . . 288 GLU N . 53286 1 310 . 1 . 1 73 73 ALA H H 1 8.265522944 0.000336993 . 1 . . . . . 289 ALA H . 53286 1 311 . 1 . 1 73 73 ALA C C 13 176.9750496 0.018753891 . 1 . . . . . 289 ALA C . 53286 1 312 . 1 . 1 73 73 ALA CA C 13 52.22054651 0.001556654 . 1 . . . . . 289 ALA CA . 53286 1 313 . 1 . 1 73 73 ALA CB C 13 19.36705628 0.017576362 . 1 . . . . . 289 ALA CB . 53286 1 314 . 1 . 1 73 73 ALA N N 15 125.1874764 0.011233155 . 1 . . . . . 289 ALA N . 53286 1 315 . 1 . 1 74 74 ALA H H 1 8.226665995 0.000437786 . 1 . . . . . 290 ALA H . 53286 1 316 . 1 . 1 74 74 ALA C C 13 175.1236008 0 . 1 . . . . . 290 ALA C . 53286 1 317 . 1 . 1 74 74 ALA CA C 13 50.36501512 0 . 1 . . . . . 290 ALA CA . 53286 1 318 . 1 . 1 74 74 ALA CB C 13 18.07602055 0 . 1 . . . . . 290 ALA CB . 53286 1 319 . 1 . 1 74 74 ALA N N 15 124.9855522 0.010547255 . 1 . . . . . 290 ALA N . 53286 1 320 . 1 . 1 76 76 PRO C C 13 176.3515899 0 . 1 . . . . . 292 PRO C . 53286 1 321 . 1 . 1 76 76 PRO CA C 13 62.73261618 0 . 1 . . . . . 292 PRO CA . 53286 1 322 . 1 . 1 76 76 PRO CB C 13 31.95308758 0 . 1 . . . . . 292 PRO CB . 53286 1 323 . 1 . 1 77 77 ALA H H 1 8.317717954 0.000291055 . 1 . . . . . 293 ALA H . 53286 1 324 . 1 . 1 77 77 ALA C C 13 175.2156704 0 . 1 . . . . . 293 ALA C . 53286 1 325 . 1 . 1 77 77 ALA CA C 13 50.27113828 0 . 1 . . . . . 293 ALA CA . 53286 1 326 . 1 . 1 77 77 ALA CB C 13 18.13369317 0 . 1 . . . . . 293 ALA CB . 53286 1 327 . 1 . 1 77 77 ALA N N 15 125.5693558 0.009742287 . 1 . . . . . 293 ALA N . 53286 1 328 . 1 . 1 83 83 SER C C 13 174.3443881 0 . 1 . . . . . 299 SER C . 53286 1 329 . 1 . 1 83 83 SER CA C 13 58.2782258 0 . 1 . . . . . 299 SER CA . 53286 1 330 . 1 . 1 83 83 SER CB C 13 63.90890329 0 . 1 . . . . . 299 SER CB . 53286 1 331 . 1 . 1 84 84 THR H H 1 8.261598113 0.000980087 . 1 . . . . . 300 THR H . 53286 1 332 . 1 . 1 84 84 THR C C 13 173.0894052 0 . 1 . . . . . 300 THR C . 53286 1 333 . 1 . 1 84 84 THR CA C 13 60.07964938 0 . 1 . . . . . 300 THR CA . 53286 1 334 . 1 . 1 84 84 THR CB C 13 69.88173518 0 . 1 . . . . . 300 THR CB . 53286 1 335 . 1 . 1 84 84 THR N N 15 118.8251137 0.008044871 . 1 . . . . . 300 THR N . 53286 1 336 . 1 . 1 86 86 VAL C C 13 176.4820389 0 . 1 . . . . . 302 VAL C . 53286 1 337 . 1 . 1 86 86 VAL CA C 13 62.38958433 0 . 1 . . . . . 302 VAL CA . 53286 1 338 . 1 . 1 86 86 VAL CB C 13 32.78023863 0 . 1 . . . . . 302 VAL CB . 53286 1 339 . 1 . 1 87 87 THR H H 1 8.250685244 0.001299442 . 1 . . . . . 303 THR H . 53286 1 340 . 1 . 1 87 87 THR C C 13 174.5113213 0.003835545 . 1 . . . . . 303 THR C . 53286 1 341 . 1 . 1 87 87 THR CA C 13 61.82324884 0.008641368 . 1 . . . . . 303 THR CA . 53286 1 342 . 1 . 1 87 87 THR CB C 13 69.91086926 0.021875743 . 1 . . . . . 303 THR CB . 53286 1 343 . 1 . 1 87 87 THR N N 15 118.8257098 0.003184575 . 1 . . . . . 303 THR N . 53286 1 344 . 1 . 1 88 88 VAL H H 1 8.252730437 0.000355527 . 1 . . . . . 304 VAL H . 53286 1 345 . 1 . 1 88 88 VAL C C 13 175.938565 0.021713427 . 1 . . . . . 304 VAL C . 53286 1 346 . 1 . 1 88 88 VAL CA C 13 62.04315029 0.065743385 . 1 . . . . . 304 VAL CA . 53286 1 347 . 1 . 1 88 88 VAL CB C 13 32.99417031 0.001048996 . 1 . . . . . 304 VAL CB . 53286 1 348 . 1 . 1 88 88 VAL N N 15 123.0506454 0.008347761 . 1 . . . . . 304 VAL N . 53286 1 349 . 1 . 1 89 89 SER H H 1 8.386752876 0.000527362 . 1 . . . . . 305 SER H . 53286 1 350 . 1 . 1 89 89 SER C C 13 174.2208149 0.012480401 . 1 . . . . . 305 SER C . 53286 1 351 . 1 . 1 89 89 SER CA C 13 58.26279138 0.003110943 . 1 . . . . . 305 SER CA . 53286 1 352 . 1 . 1 89 89 SER CB C 13 63.90628297 0.005394572 . 1 . . . . . 305 SER CB . 53286 1 353 . 1 . 1 89 89 SER N N 15 119.9566957 0.005182581 . 1 . . . . . 305 SER N . 53286 1 354 . 1 . 1 90 90 GLU H H 1 8.358693244 0.000251783 . 1 . . . . . 306 GLU H . 53286 1 355 . 1 . 1 90 90 GLU C C 13 174.624376 0 . 1 . . . . . 306 GLU C . 53286 1 356 . 1 . 1 90 90 GLU CA C 13 54.54700701 0 . 1 . . . . . 306 GLU CA . 53286 1 357 . 1 . 1 90 90 GLU CB C 13 29.86077965 0 . 1 . . . . . 306 GLU CB . 53286 1 358 . 1 . 1 90 90 GLU N N 15 124.1513767 0.007788407 . 1 . . . . . 306 GLU N . 53286 1 359 . 1 . 1 91 91 PRO C C 13 176.7740157 0 . 1 . . . . . 307 PRO C . 53286 1 360 . 1 . 1 91 91 PRO CA C 13 63.40509569 0 . 1 . . . . . 307 PRO CA . 53286 1 361 . 1 . 1 91 91 PRO CB C 13 32.04946547 0 . 1 . . . . . 307 PRO CB . 53286 1 362 . 1 . 1 92 92 LEU H H 1 8.326810444 0.000214975 . 1 . . . . . 308 LEU H . 53286 1 363 . 1 . 1 92 92 LEU C C 13 177.216459 0.026238452 . 1 . . . . . 308 LEU C . 53286 1 364 . 1 . 1 92 92 LEU CA C 13 55.27704166 0.002955284 . 1 . . . . . 308 LEU CA . 53286 1 365 . 1 . 1 92 92 LEU CB C 13 42.23481725 0.005562175 . 1 . . . . . 308 LEU CB . 53286 1 366 . 1 . 1 92 92 LEU N N 15 122.0870734 0.007441494 . 1 . . . . . 308 LEU N . 53286 1 367 . 1 . 1 93 93 LEU H H 1 8.248283176 0.000463962 . 1 . . . . . 309 LEU H . 53286 1 368 . 1 . 1 93 93 LEU C C 13 177.3404274 0.051811642 . 1 . . . . . 309 LEU C . 53286 1 369 . 1 . 1 93 93 LEU CA C 13 55.04714555 0.037325673 . 1 . . . . . 309 LEU CA . 53286 1 370 . 1 . 1 93 93 LEU CB C 13 42.47149892 0.019984152 . 1 . . . . . 309 LEU CB . 53286 1 371 . 1 . 1 93 93 LEU N N 15 123.3065717 0.007741928 . 1 . . . . . 309 LEU N . 53286 1 372 . 1 . 1 94 94 GLU H H 1 8.36002775 0.000402691 . 1 . . . . . 310 GLU H . 53286 1 373 . 1 . 1 94 94 GLU C C 13 176.8031061 0.009627159 . 1 . . . . . 310 GLU C . 53286 1 374 . 1 . 1 94 94 GLU CA C 13 57.07662026 0.001131678 . 1 . . . . . 310 GLU CA . 53286 1 375 . 1 . 1 94 94 GLU CB C 13 30.19118361 0.000523845 . 1 . . . . . 310 GLU CB . 53286 1 376 . 1 . 1 94 94 GLU N N 15 121.9360404 0.006514639 . 1 . . . . . 310 GLU N . 53286 1 377 . 1 . 1 95 95 LYS H H 1 8.256753916 0.000291189 . 1 . . . . . 311 LYS H . 53286 1 378 . 1 . 1 95 95 LYS C C 13 176.5059799 0.032369285 . 1 . . . . . 311 LYS C . 53286 1 379 . 1 . 1 95 95 LYS CA C 13 57.02253644 0.02254232 . 1 . . . . . 311 LYS CA . 53286 1 380 . 1 . 1 95 95 LYS CB C 13 32.90799231 0.021076853 . 1 . . . . . 311 LYS CB . 53286 1 381 . 1 . 1 95 95 LYS N N 15 121.0133868 0.007856787 . 1 . . . . . 311 LYS N . 53286 1 382 . 1 . 1 96 96 ASP H H 1 8.240441241 0.000519125 . 1 . . . . . 312 ASP H . 53286 1 383 . 1 . 1 96 96 ASP C C 13 176.4904027 0.038003527 . 1 . . . . . 312 ASP C . 53286 1 384 . 1 . 1 96 96 ASP CA C 13 54.68433397 0.027408083 . 1 . . . . . 312 ASP CA . 53286 1 385 . 1 . 1 96 96 ASP CB C 13 41.05940411 0.005674803 . 1 . . . . . 312 ASP CB . 53286 1 386 . 1 . 1 96 96 ASP N N 15 120.5302614 0.012480686 . 1 . . . . . 312 ASP N . 53286 1 387 . 1 . 1 97 97 PHE H H 1 8.084816481 0.000192731 . 1 . . . . . 313 PHE H . 53286 1 388 . 1 . 1 97 97 PHE C C 13 176.1957047 0.035278988 . 1 . . . . . 313 PHE C . 53286 1 389 . 1 . 1 97 97 PHE CA C 13 58.63718434 0.015195668 . 1 . . . . . 313 PHE CA . 53286 1 390 . 1 . 1 97 97 PHE CB C 13 39.30608715 0.012844388 . 1 . . . . . 313 PHE CB . 53286 1 391 . 1 . 1 97 97 PHE N N 15 120.8875945 0.002137011 . 1 . . . . . 313 PHE N . 53286 1 392 . 1 . 1 98 98 LEU H H 1 8.113746938 0.001270167 . 1 . . . . . 314 LEU H . 53286 1 393 . 1 . 1 98 98 LEU C C 13 177.150034 0 . 1 . . . . . 314 LEU C . 53286 1 394 . 1 . 1 98 98 LEU CA C 13 55.34896159 0.021424492 . 1 . . . . . 314 LEU CA . 53286 1 395 . 1 . 1 98 98 LEU CB C 13 42.09204048 0.007723133 . 1 . . . . . 314 LEU CB . 53286 1 396 . 1 . 1 98 98 LEU N N 15 122.6239021 0.005933613 . 1 . . . . . 314 LEU N . 53286 1 397 . 1 . 1 99 99 ALA H H 1 7.993792396 0.001072457 . 1 . . . . . 315 ALA H . 53286 1 398 . 1 . 1 99 99 ALA C C 13 178.2944685 0.007449024 . 1 . . . . . 315 ALA C . 53286 1 399 . 1 . 1 99 99 ALA CA C 13 52.98758381 0.016019378 . 1 . . . . . 315 ALA CA . 53286 1 400 . 1 . 1 99 99 ALA CB C 13 19.0561854 0.009617936 . 1 . . . . . 315 ALA CB . 53286 1 401 . 1 . 1 99 99 ALA N N 15 123.9540066 0.009968641 . 1 . . . . . 315 ALA N . 53286 1 402 . 1 . 1 100 100 GLY H H 1 8.224951188 0.000986065 . 1 . . . . . 316 GLY H . 53286 1 403 . 1 . 1 100 100 GLY C C 13 174.5770905 0.017320919 . 1 . . . . . 316 GLY C . 53286 1 404 . 1 . 1 100 100 GLY CA C 13 45.5114835 0.004739284 . 1 . . . . . 316 GLY CA . 53286 1 405 . 1 . 1 100 100 GLY N N 15 107.5733288 0.017317056 . 1 . . . . . 316 GLY N . 53286 1 406 . 1 . 1 101 101 VAL H H 1 7.875444194 0.000570843 . 1 . . . . . 317 VAL H . 53286 1 407 . 1 . 1 101 101 VAL C C 13 176.5684082 0 . 1 . . . . . 317 VAL C . 53286 1 408 . 1 . 1 101 101 VAL CA C 13 62.63543532 0 . 1 . . . . . 317 VAL CA . 53286 1 409 . 1 . 1 101 101 VAL CB C 13 32.66026566 0 . 1 . . . . . 317 VAL CB . 53286 1 410 . 1 . 1 101 101 VAL N N 15 119.3844131 0.003349783 . 1 . . . . . 317 VAL N . 53286 1 411 . 1 . 1 102 102 THR C C 13 174.7862366 0 . 1 . . . . . 318 THR C . 53286 1 412 . 1 . 1 102 102 THR CA C 13 62.25191784 0 . 1 . . . . . 318 THR CA . 53286 1 413 . 1 . 1 102 102 THR CB C 13 69.85868873 0 . 1 . . . . . 318 THR CB . 53286 1 414 . 1 . 1 103 103 GLN H H 1 8.419744377 0.000689554 . 1 . . . . . 319 GLN H . 53286 1 415 . 1 . 1 103 103 GLN C C 13 176.1175348 0.035084251 . 1 . . . . . 319 GLN C . 53286 1 416 . 1 . 1 103 103 GLN CA C 13 56.31956273 0.011391338 . 1 . . . . . 319 GLN CA . 53286 1 417 . 1 . 1 103 103 GLN CB C 13 29.38094426 0.025234349 . 1 . . . . . 319 GLN CB . 53286 1 418 . 1 . 1 103 103 GLN N N 15 122.5561486 0.006171676 . 1 . . . . . 319 GLN N . 53286 1 419 . 1 . 1 104 104 GLU H H 1 8.427146445 0.001248527 . 1 . . . . . 320 GLU H . 53286 1 420 . 1 . 1 104 104 GLU C C 13 176.5548383 0.030167105 . 1 . . . . . 320 GLU C . 53286 1 421 . 1 . 1 104 104 GLU CA C 13 57.05817441 0.008586796 . 1 . . . . . 320 GLU CA . 53286 1 422 . 1 . 1 104 104 GLU CB C 13 30.22754309 0.007577568 . 1 . . . . . 320 GLU CB . 53286 1 423 . 1 . 1 104 104 GLU N N 15 121.8148292 0.011439436 . 1 . . . . . 320 GLU N . 53286 1 424 . 1 . 1 105 105 LEU H H 1 8.200059042 0.000600287 . 1 . . . . . 321 LEU H . 53286 1 425 . 1 . 1 105 105 LEU C C 13 177.3660947 0.030710527 . 1 . . . . . 321 LEU C . 53286 1 426 . 1 . 1 105 105 LEU CA C 13 55.61097632 0.007819703 . 1 . . . . . 321 LEU CA . 53286 1 427 . 1 . 1 105 105 LEU CB C 13 42.26023762 0.029253301 . 1 . . . . . 321 LEU CB . 53286 1 428 . 1 . 1 105 105 LEU N N 15 123.1886614 0.009573965 . 1 . . . . . 321 LEU N . 53286 1 429 . 1 . 1 106 106 ILE H H 1 8.085697367 0.001165638 . 1 . . . . . 322 ILE H . 53286 1 430 . 1 . 1 106 106 ILE C C 13 176.3521904 0.006767976 . 1 . . . . . 322 ILE C . 53286 1 431 . 1 . 1 106 106 ILE CA C 13 61.59959068 0.022114476 . 1 . . . . . 322 ILE CA . 53286 1 432 . 1 . 1 106 106 ILE CB C 13 38.35392098 0.008191005 . 1 . . . . . 322 ILE CB . 53286 1 433 . 1 . 1 106 106 ILE N N 15 121.9945521 0.006941326 . 1 . . . . . 322 ILE N . 53286 1 434 . 1 . 1 107 107 LYS H H 1 8.301621675 0.000401245 . 1 . . . . . 323 LYS H . 53286 1 435 . 1 . 1 107 107 LYS C C 13 176.7999437 0.017043723 . 1 . . . . . 323 LYS C . 53286 1 436 . 1 . 1 107 107 LYS CA C 13 56.59732087 0.012116578 . 1 . . . . . 323 LYS CA . 53286 1 437 . 1 . 1 107 107 LYS CB C 13 33.05813769 0.07522996 . 1 . . . . . 323 LYS CB . 53286 1 438 . 1 . 1 107 107 LYS N N 15 125.2015583 0.014853806 . 1 . . . . . 323 LYS N . 53286 1 439 . 1 . 1 108 108 THR H H 1 8.17980339 0.001880419 . 1 . . . . . 324 THR H . 53286 1 440 . 1 . 1 108 108 THR C C 13 174.815515 0.025762419 . 1 . . . . . 324 THR C . 53286 1 441 . 1 . 1 108 108 THR CA C 13 62.25250813 0.045116632 . 1 . . . . . 324 THR CA . 53286 1 442 . 1 . 1 108 108 THR CB C 13 69.85751322 0.003526995 . 1 . . . . . 324 THR CB . 53286 1 443 . 1 . 1 108 108 THR N N 15 115.7812109 0.013307239 . 1 . . . . . 324 THR N . 53286 1 444 . 1 . 1 109 109 LEU H H 1 8.239746855 0.000531946 . 1 . . . . . 325 LEU H . 53286 1 445 . 1 . 1 109 109 LEU C C 13 177.4495296 0.041788994 . 1 . . . . . 325 LEU C . 53286 1 446 . 1 . 1 109 109 LEU CA C 13 55.54032089 0.010542558 . 1 . . . . . 325 LEU CA . 53286 1 447 . 1 . 1 109 109 LEU CB C 13 42.29178122 0.015436834 . 1 . . . . . 325 LEU CB . 53286 1 448 . 1 . 1 109 109 LEU N N 15 124.0773309 0.007979472 . 1 . . . . . 325 LEU N . 53286 1 449 . 1 . 1 110 110 GLU H H 1 8.345718973 0.00111872 . 1 . . . . . 326 GLU H . 53286 1 450 . 1 . 1 110 110 GLU C C 13 176.3027608 0.050763386 . 1 . . . . . 326 GLU C . 53286 1 451 . 1 . 1 110 110 GLU CA C 13 56.84543573 0.001276796 . 1 . . . . . 326 GLU CA . 53286 1 452 . 1 . 1 110 110 GLU CB C 13 30.34596095 0.011678275 . 1 . . . . . 326 GLU CB . 53286 1 453 . 1 . 1 110 110 GLU N N 15 121.456032 0.002406907 . 1 . . . . . 326 GLU N . 53286 1 454 . 1 . 1 111 111 ASP H H 1 8.33216943 0.00045582 . 1 . . . . . 327 ASP H . 53286 1 455 . 1 . 1 111 111 ASP C C 13 176.2298005 0.032437254 . 1 . . . . . 327 ASP C . 53286 1 456 . 1 . 1 111 111 ASP CA C 13 54.37273655 0.009300656 . 1 . . . . . 327 ASP CA . 53286 1 457 . 1 . 1 111 111 ASP CB C 13 41.23645901 0.005267021 . 1 . . . . . 327 ASP CB . 53286 1 458 . 1 . 1 111 111 ASP N N 15 121.4504995 0.004573728 . 1 . . . . . 327 ASP N . 53286 1 459 . 1 . 1 112 112 ASN H H 1 8.415561503 0.001584698 . 1 . . . . . 328 ASN H . 53286 1 460 . 1 . 1 112 112 ASN C C 13 175.7485661 0.01434948 . 1 . . . . . 328 ASN C . 53286 1 461 . 1 . 1 112 112 ASN CA C 13 53.36051804 0.024111422 . 1 . . . . . 328 ASN CA . 53286 1 462 . 1 . 1 112 112 ASN CB C 13 38.84711492 0.015738632 . 1 . . . . . 328 ASN CB . 53286 1 463 . 1 . 1 112 112 ASN N N 15 120.1452657 0.005855385 . 1 . . . . . 328 ASN N . 53286 1 464 . 1 . 1 113 113 SER H H 1 8.301488802 0.001160274 . 1 . . . . . 329 SER H . 53286 1 465 . 1 . 1 113 113 SER C C 13 175.1642367 0.031827887 . 1 . . . . . 329 SER C . 53286 1 466 . 1 . 1 113 113 SER CA C 13 59.6523613 0.006532209 . 1 . . . . . 329 SER CA . 53286 1 467 . 1 . 1 113 113 SER CB C 13 63.61864557 0.012119809 . 1 . . . . . 329 SER CB . 53286 1 468 . 1 . 1 113 113 SER N N 15 116.3465667 0.007016625 . 1 . . . . . 329 SER N . 53286 1 469 . 1 . 1 114 114 GLU H H 1 8.413094248 0.000837718 . 1 . . . . . 330 GLU H . 53286 1 470 . 1 . 1 114 114 GLU C C 13 176.7788996 0.016002235 . 1 . . . . . 330 GLU C . 53286 1 471 . 1 . 1 114 114 GLU CA C 13 57.01751629 0.004179601 . 1 . . . . . 330 GLU CA . 53286 1 472 . 1 . 1 114 114 GLU CB C 13 29.76147014 0.044760443 . 1 . . . . . 330 GLU CB . 53286 1 473 . 1 . 1 114 114 GLU N N 15 122.1811695 0.006420088 . 1 . . . . . 330 GLU N . 53286 1 474 . 1 . 1 115 115 LYS H H 1 8.031325448 0.000711997 . 1 . . . . . 331 LYS H . 53286 1 475 . 1 . 1 115 115 LYS C C 13 176.4422926 0.033176732 . 1 . . . . . 331 LYS C . 53286 1 476 . 1 . 1 115 115 LYS CA C 13 56.72647758 0.035097772 . 1 . . . . . 331 LYS CA . 53286 1 477 . 1 . 1 115 115 LYS CB C 13 32.6937417 0.004995873 . 1 . . . . . 331 LYS CB . 53286 1 478 . 1 . 1 115 115 LYS N N 15 121.0836277 0.00286453 . 1 . . . . . 331 LYS N . 53286 1 479 . 1 . 1 116 116 TRP H H 1 7.864902057 0.000378387 . 1 . . . . . 332 TRP H . 53286 1 480 . 1 . 1 116 116 TRP C C 13 175.92747 0.022749721 . 1 . . . . . 332 TRP C . 53286 1 481 . 1 . 1 116 116 TRP CA C 13 56.73954016 0.013815467 . 1 . . . . . 332 TRP CA . 53286 1 482 . 1 . 1 116 116 TRP CB C 13 29.5830016 0.012642141 . 1 . . . . . 332 TRP CB . 53286 1 483 . 1 . 1 116 116 TRP N N 15 120.5913911 0.004681297 . 1 . . . . . 332 TRP N . 53286 1 484 . 1 . 1 117 117 ALA H H 1 7.983627401 0.001090911 . 1 . . . . . 333 ALA H . 53286 1 485 . 1 . 1 117 117 ALA C C 13 177.2074464 0.024511382 . 1 . . . . . 333 ALA C . 53286 1 486 . 1 . 1 117 117 ALA CA C 13 52.41991017 0.020749312 . 1 . . . . . 333 ALA CA . 53286 1 487 . 1 . 1 117 117 ALA CB C 13 19.46018117 0.002610343 . 1 . . . . . 333 ALA CB . 53286 1 488 . 1 . 1 117 117 ALA N N 15 125.0221641 0.009549135 . 1 . . . . . 333 ALA N . 53286 1 489 . 1 . 1 118 118 VAL H H 1 7.992227678 0.001013069 . 1 . . . . . 334 VAL H . 53286 1 490 . 1 . 1 118 118 VAL C C 13 176.1857315 0.029490294 . 1 . . . . . 334 VAL C . 53286 1 491 . 1 . 1 118 118 VAL CA C 13 62.03380632 0.042103337 . 1 . . . . . 334 VAL CA . 53286 1 492 . 1 . 1 118 118 VAL CB C 13 32.93187139 0.001806913 . 1 . . . . . 334 VAL CB . 53286 1 493 . 1 . 1 118 118 VAL N N 15 119.0477261 0.003757955 . 1 . . . . . 334 VAL N . 53286 1 494 . 1 . 1 119 119 THR H H 1 8.271364559 0.000614469 . 1 . . . . . 335 THR H . 53286 1 495 . 1 . 1 119 119 THR C C 13 173.2468563 0 . 1 . . . . . 335 THR C . 53286 1 496 . 1 . 1 119 119 THR CA C 13 59.70534317 0 . 1 . . . . . 335 THR CA . 53286 1 497 . 1 . 1 119 119 THR CB C 13 69.73178986 0 . 1 . . . . . 335 THR CB . 53286 1 498 . 1 . 1 119 119 THR N N 15 120.6345878 0.012091022 . 1 . . . . . 335 THR N . 53286 1 499 . 1 . 1 120 120 PRO C C 13 176.6362875 0 . 1 . . . . . 336 PRO C . 53286 1 500 . 1 . 1 120 120 PRO CA C 13 63.39909737 0 . 1 . . . . . 336 PRO CA . 53286 1 501 . 1 . 1 120 120 PRO CB C 13 32.12494742 0 . 1 . . . . . 336 PRO CB . 53286 1 502 . 1 . 1 121 121 ASP H H 1 8.372623149 0.000368492 . 1 . . . . . 337 ASP H . 53286 1 503 . 1 . 1 121 121 ASP C C 13 176.1767163 0.029179129 . 1 . . . . . 337 ASP C . 53286 1 504 . 1 . 1 121 121 ASP CA C 13 54.31731656 0.00243486 . 1 . . . . . 337 ASP CA . 53286 1 505 . 1 . 1 121 121 ASP CB C 13 41.37641003 0.005165982 . 1 . . . . . 337 ASP CB . 53286 1 506 . 1 . 1 121 121 ASP N N 15 120.4795611 0.005990192 . 1 . . . . . 337 ASP N . 53286 1 507 . 1 . 1 122 122 ALA H H 1 8.303843212 0.000353284 . 1 . . . . . 338 ALA H . 53286 1 508 . 1 . 1 122 122 ALA C C 13 178.2449404 0.015252889 . 1 . . . . . 338 ALA C . 53286 1 509 . 1 . 1 122 122 ALA CA C 13 52.76269416 0.009695608 . 1 . . . . . 338 ALA CA . 53286 1 510 . 1 . 1 122 122 ALA CB C 13 19.36832824 0.016785789 . 1 . . . . . 338 ALA CB . 53286 1 511 . 1 . 1 122 122 ALA N N 15 124.9263259 0.009258962 . 1 . . . . . 338 ALA N . 53286 1 512 . 1 . 1 123 123 GLY H H 1 8.432111872 0.001158581 . 1 . . . . . 339 GLY H . 53286 1 513 . 1 . 1 123 123 GLY C C 13 174.4353783 0.002684754 . 1 . . . . . 339 GLY C . 53286 1 514 . 1 . 1 123 123 GLY CA C 13 45.45834182 0.005330832 . 1 . . . . . 339 GLY CA . 53286 1 515 . 1 . 1 123 123 GLY N N 15 107.8512687 0.02011951 . 1 . . . . . 339 GLY N . 53286 1 516 . 1 . 1 124 124 ASP H H 1 8.245108972 0.000644778 . 1 . . . . . 340 ASP H . 53286 1 517 . 1 . 1 124 124 ASP C C 13 177.0210155 0.007564223 . 1 . . . . . 340 ASP C . 53286 1 518 . 1 . 1 124 124 ASP CA C 13 54.42881813 0.024497913 . 1 . . . . . 340 ASP CA . 53286 1 519 . 1 . 1 124 124 ASP CB C 13 41.17404966 0.015962269 . 1 . . . . . 340 ASP CB . 53286 1 520 . 1 . 1 124 124 ASP N N 15 120.1696242 0.013119005 . 1 . . . . . 340 ASP N . 53286 1 521 . 1 . 1 125 125 GLY H H 1 8.445369136 0.001045498 . 1 . . . . . 341 GLY H . 53286 1 522 . 1 . 1 125 125 GLY C C 13 174.3656299 0.013243117 . 1 . . . . . 341 GLY C . 53286 1 523 . 1 . 1 125 125 GLY CA C 13 45.59286455 0.00308734 . 1 . . . . . 341 GLY CA . 53286 1 524 . 1 . 1 125 125 GLY N N 15 109.1954118 0.020040094 . 1 . . . . . 341 GLY N . 53286 1 525 . 1 . 1 126 126 VAL H H 1 7.890783254 0.000646787 . 1 . . . . . 342 VAL H . 53286 1 526 . 1 . 1 126 126 VAL C C 13 176.2787345 0.045249354 . 1 . . . . . 342 VAL C . 53286 1 527 . 1 . 1 126 126 VAL CA C 13 62.5803717 0.009068534 . 1 . . . . . 342 VAL CA . 53286 1 528 . 1 . 1 126 126 VAL CB C 13 32.59888548 0.012732975 . 1 . . . . . 342 VAL CB . 53286 1 529 . 1 . 1 126 126 VAL N N 15 119.9775993 0.007110888 . 1 . . . . . 342 VAL N . 53286 1 530 . 1 . 1 127 127 VAL H H 1 8.296404305 0.000357376 . 1 . . . . . 343 VAL H . 53286 1 531 . 1 . 1 127 127 VAL C C 13 175.9140296 0.020040954 . 1 . . . . . 343 VAL C . 53286 1 532 . 1 . 1 127 127 VAL CA C 13 62.33945427 0.013200522 . 1 . . . . . 343 VAL CA . 53286 1 533 . 1 . 1 127 127 VAL CB C 13 32.57247744 0.027122467 . 1 . . . . . 343 VAL CB . 53286 1 534 . 1 . 1 127 127 VAL N N 15 125.1900004 0.011679421 . 1 . . . . . 343 VAL N . 53286 1 535 . 1 . 1 128 128 LYS H H 1 8.47144457 0.000960633 . 1 . . . . . 344 LYS H . 53286 1 536 . 1 . 1 128 128 LYS C C 13 174.6698131 0 . 1 . . . . . 344 LYS C . 53286 1 537 . 1 . 1 128 128 LYS CA C 13 54.03690495 0 . 1 . . . . . 344 LYS CA . 53286 1 538 . 1 . 1 128 128 LYS CB C 13 32.49149023 0 . 1 . . . . . 344 LYS CB . 53286 1 539 . 1 . 1 128 128 LYS N N 15 127.4244903 0.014113847 . 1 . . . . . 344 LYS N . 53286 1 540 . 1 . 1 131 131 SER C C 13 174.5721371 0 . 1 . . . . . 347 SER C . 53286 1 541 . 1 . 1 131 131 SER CA C 13 58.48473702 0 . 1 . . . . . 347 SER CA . 53286 1 542 . 1 . 1 131 131 SER CB C 13 63.88131531 0 . 1 . . . . . 347 SER CB . 53286 1 543 . 1 . 1 132 132 ARG H H 1 8.290214016 0.001630403 . 1 . . . . . 348 ARG H . 53286 1 544 . 1 . 1 132 132 ARG C C 13 175.7988106 0.00697487 . 1 . . . . . 348 ARG C . 53286 1 545 . 1 . 1 132 132 ARG CA C 13 55.94853791 0.020229312 . 1 . . . . . 348 ARG CA . 53286 1 546 . 1 . 1 132 132 ARG CB C 13 30.84739325 0.021036666 . 1 . . . . . 348 ARG CB . 53286 1 547 . 1 . 1 132 132 ARG N N 15 122.7776256 0.013497016 . 1 . . . . . 348 ARG N . 53286 1 548 . 1 . 1 133 133 ALA H H 1 8.286533563 0.000724442 . 1 . . . . . 349 ALA H . 53286 1 549 . 1 . 1 133 133 ALA C C 13 177.0015597 0.011270787 . 1 . . . . . 349 ALA C . 53286 1 550 . 1 . 1 133 133 ALA CA C 13 52.19129933 0.001712502 . 1 . . . . . 349 ALA CA . 53286 1 551 . 1 . 1 133 133 ALA CB C 13 19.38321899 0.023655447 . 1 . . . . . 349 ALA CB . 53286 1 552 . 1 . 1 133 133 ALA N N 15 125.4983133 0.01151584 . 1 . . . . . 349 ALA N . 53286 1 553 . 1 . 1 134 134 ASP H H 1 8.297000181 0.000653295 . 1 . . . . . 350 ASP H . 53286 1 554 . 1 . 1 134 134 ASP C C 13 175.1124941 0 . 1 . . . . . 350 ASP C . 53286 1 555 . 1 . 1 134 134 ASP CA C 13 52.2318269 0 . 1 . . . . . 350 ASP CA . 53286 1 556 . 1 . 1 134 134 ASP CB C 13 41.21665627 0 . 1 . . . . . 350 ASP CB . 53286 1 557 . 1 . 1 134 134 ASP N N 15 121.5905976 0.00474267 . 1 . . . . . 350 ASP N . 53286 1 558 . 1 . 1 135 135 PRO C C 13 176.9560517 0 . 1 . . . . . 351 PRO C . 53286 1 559 . 1 . 1 135 135 PRO CA C 13 63.62442134 0 . 1 . . . . . 351 PRO CA . 53286 1 560 . 1 . 1 135 135 PRO CB C 13 32.07459633 0 . 1 . . . . . 351 PRO CB . 53286 1 561 . 1 . 1 136 136 ALA H H 1 8.389413887 0.000538451 . 1 . . . . . 352 ALA H . 53286 1 562 . 1 . 1 136 136 ALA C C 13 177.9409905 0.014306772 . 1 . . . . . 352 ALA C . 53286 1 563 . 1 . 1 136 136 ALA CA C 13 52.6969935 0.003602509 . 1 . . . . . 352 ALA CA . 53286 1 564 . 1 . 1 136 136 ALA CB C 13 19.06758727 0.001332078 . 1 . . . . . 352 ALA CB . 53286 1 565 . 1 . 1 136 136 ALA N N 15 122.7569205 0.006448706 . 1 . . . . . 352 ALA N . 53286 1 566 . 1 . 1 137 137 GLN H H 1 8.160622684 0.00130579 . 1 . . . . . 353 GLN H . 53286 1 567 . 1 . 1 137 137 GLN C C 13 176.2814161 0.029223987 . 1 . . . . . 353 GLN C . 53286 1 568 . 1 . 1 137 137 GLN CA C 13 55.79200181 0.007196369 . 1 . . . . . 353 GLN CA . 53286 1 569 . 1 . 1 137 137 GLN CB C 13 29.46539973 0.042743157 . 1 . . . . . 353 GLN CB . 53286 1 570 . 1 . 1 137 137 GLN N N 15 118.8519031 0.004652481 . 1 . . . . . 353 GLN N . 53286 1 571 . 1 . 1 138 138 THR H H 1 8.158191065 0.001237571 . 1 . . . . . 354 THR H . 53286 1 572 . 1 . 1 138 138 THR C C 13 174.8957294 0.035795267 . 1 . . . . . 354 THR C . 53286 1 573 . 1 . 1 138 138 THR CA C 13 61.86876747 0.000363279 . 1 . . . . . 354 THR CA . 53286 1 574 . 1 . 1 138 138 THR CB C 13 69.89208006 0.033068684 . 1 . . . . . 354 THR CB . 53286 1 575 . 1 . 1 138 138 THR N N 15 114.9013739 0.008386005 . 1 . . . . . 354 THR N . 53286 1 576 . 1 . 1 139 139 SER H H 1 8.389619861 0.002048371 . 1 . . . . . 355 SER H . 53286 1 577 . 1 . 1 139 139 SER C C 13 174.7531256 0.026185968 . 1 . . . . . 355 SER C . 53286 1 578 . 1 . 1 139 139 SER CA C 13 58.79046084 0.018922124 . 1 . . . . . 355 SER CA . 53286 1 579 . 1 . 1 139 139 SER CB C 13 63.77811916 0.020105845 . 1 . . . . . 355 SER CB . 53286 1 580 . 1 . 1 139 139 SER N N 15 117.6236094 0.018162203 . 1 . . . . . 355 SER N . 53286 1 581 . 1 . 1 140 140 ASP H H 1 8.423326361 0.000938382 . 1 . . . . . 356 ASP H . 53286 1 582 . 1 . 1 140 140 ASP C C 13 176.8354746 0.009131327 . 1 . . . . . 356 ASP C . 53286 1 583 . 1 . 1 140 140 ASP CA C 13 54.78524204 0.017560022 . 1 . . . . . 356 ASP CA . 53286 1 584 . 1 . 1 140 140 ASP CB C 13 41.0472268 0.011759585 . 1 . . . . . 356 ASP CB . 53286 1 585 . 1 . 1 140 140 ASP N N 15 122.5538138 0.006248219 . 1 . . . . . 356 ASP N . 53286 1 586 . 1 . 1 141 141 THR H H 1 8.083437017 0.001266999 . 1 . . . . . 357 THR H . 53286 1 587 . 1 . 1 141 141 THR C C 13 175.2430612 0.024567227 . 1 . . . . . 357 THR C . 53286 1 588 . 1 . 1 141 141 THR CA C 13 62.95685104 0.041048679 . 1 . . . . . 357 THR CA . 53286 1 589 . 1 . 1 141 141 THR CB C 13 69.53173867 0.015029753 . 1 . . . . . 357 THR CB . 53286 1 590 . 1 . 1 141 141 THR N N 15 114.5174096 0.009758078 . 1 . . . . . 357 THR N . 53286 1 591 . 1 . 1 142 142 LEU H H 1 8.11957589 0.001034249 . 1 . . . . . 358 LEU H . 53286 1 592 . 1 . 1 142 142 LEU C C 13 177.3966212 0.030717001 . 1 . . . . . 358 LEU C . 53286 1 593 . 1 . 1 142 142 LEU CA C 13 55.81650132 0.014682102 . 1 . . . . . 358 LEU CA . 53286 1 594 . 1 . 1 142 142 LEU CB C 13 42.05796283 0.019747069 . 1 . . . . . 358 LEU CB . 53286 1 595 . 1 . 1 142 142 LEU N N 15 123.8944963 0.00824484 . 1 . . . . . 358 LEU N . 53286 1 596 . 1 . 1 143 143 ALA H H 1 8.084185022 0.001342099 . 1 . . . . . 359 ALA H . 53286 1 597 . 1 . 1 143 143 ALA C C 13 177.9975638 0.022231787 . 1 . . . . . 359 ALA C . 53286 1 598 . 1 . 1 143 143 ALA CA C 13 52.81539552 0.009421351 . 1 . . . . . 359 ALA CA . 53286 1 599 . 1 . 1 143 143 ALA CB C 13 18.9321439 0.016422128 . 1 . . . . . 359 ALA CB . 53286 1 600 . 1 . 1 143 143 ALA N N 15 123.7968394 0.006742332 . 1 . . . . . 359 ALA N . 53286 1 601 . 1 . 1 144 144 LEU H H 1 8.03626359 0.000887367 . 1 . . . . . 360 LEU H . 53286 1 602 . 1 . 1 144 144 LEU C C 13 177.5301875 0.023718194 . 1 . . . . . 360 LEU C . 53286 1 603 . 1 . 1 144 144 LEU CA C 13 55.67000286 0.008669093 . 1 . . . . . 360 LEU CA . 53286 1 604 . 1 . 1 144 144 LEU CB C 13 42.20100006 0.015208481 . 1 . . . . . 360 LEU CB . 53286 1 605 . 1 . 1 144 144 LEU N N 15 120.4253052 0.002111219 . 1 . . . . . 360 LEU N . 53286 1 606 . 1 . 1 145 145 ASN H H 1 8.288275071 0.000625849 . 1 . . . . . 361 ASN H . 53286 1 607 . 1 . 1 145 145 ASN C C 13 175.4953955 0.016810026 . 1 . . . . . 361 ASN C . 53286 1 608 . 1 . 1 145 145 ASN CA C 13 53.66288695 0.010956503 . 1 . . . . . 361 ASN CA . 53286 1 609 . 1 . 1 145 145 ASN CB C 13 38.70903475 0.018875608 . 1 . . . . . 361 ASN CB . 53286 1 610 . 1 . 1 145 145 ASN N N 15 118.3908761 0.003515177 . 1 . . . . . 361 ASN N . 53286 1 611 . 1 . 1 146 146 ASN H H 1 8.301871012 0.001289904 . 1 . . . . . 362 ASN H . 53286 1 612 . 1 . 1 146 146 ASN C C 13 175.6455461 0.02344026 . 1 . . . . . 362 ASN C . 53286 1 613 . 1 . 1 146 146 ASN CA C 13 53.82194544 0.02689425 . 1 . . . . . 362 ASN CA . 53286 1 614 . 1 . 1 146 146 ASN CB C 13 38.67780147 0.00774088 . 1 . . . . . 362 ASN CB . 53286 1 615 . 1 . 1 146 146 ASN N N 15 118.7463041 0.008770604 . 1 . . . . . 362 ASN N . 53286 1 616 . 1 . 1 147 147 GLN H H 1 8.287300273 0.000620672 . 1 . . . . . 363 GLN H . 53286 1 617 . 1 . 1 147 147 GLN C C 13 176.2082269 0.040320961 . 1 . . . . . 363 GLN C . 53286 1 618 . 1 . 1 147 147 GLN CA C 13 56.44774667 0.020936694 . 1 . . . . . 363 GLN CA . 53286 1 619 . 1 . 1 147 147 GLN CB C 13 29.16684392 0.034550022 . 1 . . . . . 363 GLN CB . 53286 1 620 . 1 . 1 147 147 GLN N N 15 119.7386815 0.002532129 . 1 . . . . . 363 GLN N . 53286 1 621 . 1 . 1 148 148 MET H H 1 8.259762027 0.001008284 . 1 . . . . . 364 MET H . 53286 1 622 . 1 . 1 148 148 MET C C 13 176.4834701 0.045417496 . 1 . . . . . 364 MET C . 53286 1 623 . 1 . 1 148 148 MET CA C 13 55.93588723 0.016807333 . 1 . . . . . 364 MET CA . 53286 1 624 . 1 . 1 148 148 MET CB C 13 32.72245895 0.011068283 . 1 . . . . . 364 MET CB . 53286 1 625 . 1 . 1 148 148 MET N N 15 120.406984 0.007347725 . 1 . . . . . 364 MET N . 53286 1 626 . 1 . 1 149 149 VAL H H 1 8.089803518 0.000548078 . 1 . . . . . 365 VAL H . 53286 1 627 . 1 . 1 149 149 VAL C C 13 176.5105082 0 . 1 . . . . . 365 VAL C . 53286 1 628 . 1 . 1 149 149 VAL CA C 13 62.78129071 0 . 1 . . . . . 365 VAL CA . 53286 1 629 . 1 . 1 149 149 VAL CB C 13 32.69405837 0 . 1 . . . . . 365 VAL CB . 53286 1 630 . 1 . 1 149 149 VAL N N 15 120.8424571 0.010466034 . 1 . . . . . 365 VAL N . 53286 1 631 . 1 . 1 150 150 THR C C 13 174.8384917 0 . 1 . . . . . 366 THR C . 53286 1 632 . 1 . 1 150 150 THR CA C 13 62.22018091 0 . 1 . . . . . 366 THR CA . 53286 1 633 . 1 . 1 150 150 THR CB C 13 69.78998724 0 . 1 . . . . . 366 THR CB . 53286 1 634 . 1 . 1 151 151 GLN H H 1 8.349740465 0.000554832 . 1 . . . . . 367 GLN H . 53286 1 635 . 1 . 1 151 151 GLN C C 13 175.7286351 0 . 1 . . . . . 367 GLN C . 53286 1 636 . 1 . 1 151 151 GLN CA C 13 56.00196988 0 . 1 . . . . . 367 GLN CA . 53286 1 637 . 1 . 1 151 151 GLN CB C 13 29.34866302 0 . 1 . . . . . 367 GLN CB . 53286 1 638 . 1 . 1 151 151 GLN N N 15 122.280079 0.007161969 . 1 . . . . . 367 GLN N . 53286 1 639 . 1 . 1 157 157 SER C C 13 174.6772416 0 . 1 . . . . . 373 SER C . 53286 1 640 . 1 . 1 157 157 SER CA C 13 58.40286077 0 . 1 . . . . . 373 SER CA . 53286 1 641 . 1 . 1 157 157 SER CB C 13 63.85410209 0 . 1 . . . . . 373 SER CB . 53286 1 642 . 1 . 1 158 158 VAL H H 1 8.187663999 0.00056443 . 1 . . . . . 374 VAL H . 53286 1 643 . 1 . 1 158 158 VAL C C 13 175.9757639 0 . 1 . . . . . 374 VAL C . 53286 1 644 . 1 . 1 158 158 VAL CA C 13 62.33566776 0 . 1 . . . . . 374 VAL CA . 53286 1 645 . 1 . 1 158 158 VAL CB C 13 32.76947449 0 . 1 . . . . . 374 VAL CB . 53286 1 646 . 1 . 1 158 158 VAL N N 15 121.5423608 0.006216232 . 1 . . . . . 374 VAL N . 53286 1 647 . 1 . 1 163 163 PRO C C 13 176.9114418 0 . 1 . . . . . 379 PRO C . 53286 1 648 . 1 . 1 163 163 PRO CA C 13 63.25140438 0 . 1 . . . . . 379 PRO CA . 53286 1 649 . 1 . 1 163 163 PRO CB C 13 32.06369956 0 . 1 . . . . . 379 PRO CB . 53286 1 650 . 1 . 1 164 164 GLN H H 1 8.488036895 0.001379223 . 1 . . . . . 380 GLN H . 53286 1 651 . 1 . 1 164 164 GLN C C 13 175.876682 0.012276779 . 1 . . . . . 380 GLN C . 53286 1 652 . 1 . 1 164 164 GLN CA C 13 55.69608689 0.004452937 . 1 . . . . . 380 GLN CA . 53286 1 653 . 1 . 1 164 164 GLN CB C 13 29.62664464 0.009976986 . 1 . . . . . 380 GLN CB . 53286 1 654 . 1 . 1 164 164 GLN N N 15 120.8861612 0.004433411 . 1 . . . . . 380 GLN N . 53286 1 655 . 1 . 1 165 165 ALA H H 1 8.345962953 0.000646789 . 1 . . . . . 381 ALA H . 53286 1 656 . 1 . 1 165 165 ALA C C 13 177.5929968 0.025402328 . 1 . . . . . 381 ALA C . 53286 1 657 . 1 . 1 165 165 ALA CA C 13 52.49869806 0.026499801 . 1 . . . . . 381 ALA CA . 53286 1 658 . 1 . 1 165 165 ALA CB C 13 19.40139119 0.015175162 . 1 . . . . . 381 ALA CB . 53286 1 659 . 1 . 1 165 165 ALA N N 15 125.7687796 0.010638084 . 1 . . . . . 381 ALA N . 53286 1 660 . 1 . 1 166 166 LYS H H 1 8.351548429 0.001605515 . 1 . . . . . 382 LYS H . 53286 1 661 . 1 . 1 166 166 LYS C C 13 176.6028287 0 . 1 . . . . . 382 LYS C . 53286 1 662 . 1 . 1 166 166 LYS CA C 13 56.3097027 0 . 1 . . . . . 382 LYS CA . 53286 1 663 . 1 . 1 166 166 LYS CB C 13 33.06357735 0 . 1 . . . . . 382 LYS CB . 53286 1 664 . 1 . 1 166 166 LYS N N 15 120.8736082 0.007357299 . 1 . . . . . 382 LYS N . 53286 1 665 . 1 . 1 167 167 SER C C 13 175.0994078 0 . 1 . . . . . 383 SER C . 53286 1 666 . 1 . 1 167 167 SER CA C 13 58.46832065 0 . 1 . . . . . 383 SER CA . 53286 1 667 . 1 . 1 167 167 SER CB C 13 63.80230808 0 . 1 . . . . . 383 SER CB . 53286 1 668 . 1 . 1 168 168 GLY H H 1 8.364798114 0.002007846 . 1 . . . . . 384 GLY H . 53286 1 669 . 1 . 1 168 168 GLY CA C 13 45.27635941 0 . 1 . . . . . 384 GLY CA . 53286 1 670 . 1 . 1 168 168 GLY N N 15 110.8829678 0.029406338 . 1 . . . . . 384 GLY N . 53286 1 671 . 1 . 1 169 169 SER C C 13 174.6774121 0 . 1 . . . . . 385 SER C . 53286 1 672 . 1 . 1 169 169 SER CA C 13 58.45809847 0 . 1 . . . . . 385 SER CA . 53286 1 673 . 1 . 1 169 169 SER CB C 13 63.68330814 0 . 1 . . . . . 385 SER CB . 53286 1 674 . 1 . 1 170 170 TRP H H 1 8.092297756 0.000432204 . 1 . . . . . 386 TRP H . 53286 1 675 . 1 . 1 170 170 TRP C C 13 175.9839932 0.014130054 . 1 . . . . . 386 TRP C . 53286 1 676 . 1 . 1 170 170 TRP CA C 13 57.38417824 0.008365511 . 1 . . . . . 386 TRP CA . 53286 1 677 . 1 . 1 170 170 TRP CB C 13 29.42438839 0.015912457 . 1 . . . . . 386 TRP CB . 53286 1 678 . 1 . 1 170 170 TRP N N 15 122.6765698 0.005555454 . 1 . . . . . 386 TRP N . 53286 1 679 . 1 . 1 171 171 ASP H H 1 8.139219805 0.001389045 . 1 . . . . . 387 ASP H . 53286 1 680 . 1 . 1 171 171 ASP C C 13 176.1383017 0.045861785 . 1 . . . . . 387 ASP C . 53286 1 681 . 1 . 1 171 171 ASP CA C 13 54.28531044 0.00280343 . 1 . . . . . 387 ASP CA . 53286 1 682 . 1 . 1 171 171 ASP CB C 13 40.98163818 0.003653089 . 1 . . . . . 387 ASP CB . 53286 1 683 . 1 . 1 171 171 ASP N N 15 121.3771469 0.007627542 . 1 . . . . . 387 ASP N . 53286 1 684 . 1 . 1 172 172 LEU H H 1 7.974609281 0.001114 . 1 . . . . . 388 LEU H . 53286 1 685 . 1 . 1 172 172 LEU C C 13 177.5404188 0.028906875 . 1 . . . . . 388 LEU C . 53286 1 686 . 1 . 1 172 172 LEU CA C 13 55.65868608 0.000847079 . 1 . . . . . 388 LEU CA . 53286 1 687 . 1 . 1 172 172 LEU CB C 13 42.13021934 0.010259367 . 1 . . . . . 388 LEU CB . 53286 1 688 . 1 . 1 172 172 LEU N N 15 122.0286053 0.005095156 . 1 . . . . . 388 LEU N . 53286 1 689 . 1 . 1 173 173 GLN H H 1 8.299871044 0.000563043 . 1 . . . . . 389 GLN H . 53286 1 690 . 1 . 1 173 173 GLN C C 13 176.2719916 0.031397373 . 1 . . . . . 389 GLN C . 53286 1 691 . 1 . 1 173 173 GLN CA C 13 56.2775909 0.010214969 . 1 . . . . . 389 GLN CA . 53286 1 692 . 1 . 1 173 173 GLN CB C 13 29.14926479 0.036338855 . 1 . . . . . 389 GLN CB . 53286 1 693 . 1 . 1 173 173 GLN N N 15 120.0164867 0.003194884 . 1 . . . . . 389 GLN N . 53286 1 694 . 1 . 1 174 174 THR H H 1 7.992760134 0.001287338 . 1 . . . . . 390 THR H . 53286 1 695 . 1 . 1 174 174 THR C C 13 174.4768913 0.022350329 . 1 . . . . . 390 THR C . 53286 1 696 . 1 . 1 174 174 THR CA C 13 62.22821381 0.019183358 . 1 . . . . . 390 THR CA . 53286 1 697 . 1 . 1 174 174 THR CB C 13 69.75066354 0.044771025 . 1 . . . . . 390 THR CB . 53286 1 698 . 1 . 1 174 174 THR N N 15 114.5148871 0.007283292 . 1 . . . . . 390 THR N . 53286 1 699 . 1 . 1 175 175 TYR H H 1 8.140377403 0.001073261 . 1 . . . . . 391 TYR H . 53286 1 700 . 1 . 1 175 175 TYR C C 13 175.8378127 0.01774161 . 1 . . . . . 391 TYR C . 53286 1 701 . 1 . 1 175 175 TYR CA C 13 58.1154872 0.01399831 . 1 . . . . . 391 TYR CA . 53286 1 702 . 1 . 1 175 175 TYR CB C 13 38.9655785 0.041758301 . 1 . . . . . 391 TYR CB . 53286 1 703 . 1 . 1 175 175 TYR N N 15 122.3869624 0.007149619 . 1 . . . . . 391 TYR N . 53286 1 704 . 1 . 1 176 176 SER H H 1 8.118253787 0.000839024 . 1 . . . . . 392 SER H . 53286 1 705 . 1 . 1 176 176 SER C C 13 174.5898504 0.011846197 . 1 . . . . . 392 SER C . 53286 1 706 . 1 . 1 176 176 SER CA C 13 58.12482238 0.003862634 . 1 . . . . . 392 SER CA . 53286 1 707 . 1 . 1 176 176 SER CB C 13 64.01595793 0.01262659 . 1 . . . . . 392 SER CB . 53286 1 708 . 1 . 1 176 176 SER N N 15 117.6892364 0.009754612 . 1 . . . . . 392 SER N . 53286 1 709 . 1 . 1 177 177 ALA H H 1 8.338213833 0.000762478 . 1 . . . . . 393 ALA H . 53286 1 710 . 1 . 1 177 177 ALA C C 13 177.6358516 0.036463317 . 1 . . . . . 393 ALA C . 53286 1 711 . 1 . 1 177 177 ALA CA C 13 53.19061994 0.021065877 . 1 . . . . . 393 ALA CA . 53286 1 712 . 1 . 1 177 177 ALA CB C 13 19.04249145 0.002445405 . 1 . . . . . 393 ALA CB . 53286 1 713 . 1 . 1 177 177 ALA N N 15 126.0688821 0.010093056 . 1 . . . . . 393 ALA N . 53286 1 714 . 1 . 1 178 178 ASP H H 1 8.202827297 0.00087036 . 1 . . . . . 394 ASP H . 53286 1 715 . 1 . 1 178 178 ASP C C 13 176.5501589 0.026302892 . 1 . . . . . 394 ASP C . 53286 1 716 . 1 . 1 178 178 ASP CA C 13 54.50320557 0.015566303 . 1 . . . . . 394 ASP CA . 53286 1 717 . 1 . 1 178 178 ASP CB C 13 41.04952978 0.00459427 . 1 . . . . . 394 ASP CB . 53286 1 718 . 1 . 1 178 178 ASP N N 15 118.3383688 0.00385553 . 1 . . . . . 394 ASP N . 53286 1 719 . 1 . 1 179 179 GLN H H 1 8.178265588 0.001084826 . 1 . . . . . 395 GLN H . 53286 1 720 . 1 . 1 179 179 GLN C C 13 176.3032603 0.024690191 . 1 . . . . . 395 GLN C . 53286 1 721 . 1 . 1 179 179 GLN CA C 13 56.23251586 0.022366633 . 1 . . . . . 395 GLN CA . 53286 1 722 . 1 . 1 179 179 GLN CB C 13 29.07981719 0.076952319 . 1 . . . . . 395 GLN CB . 53286 1 723 . 1 . 1 179 179 GLN N N 15 120.4499804 0.007855123 . 1 . . . . . 395 GLN N . 53286 1 724 . 1 . 1 180 180 ARG H H 1 8.261531313 0.001623608 . 1 . . . . . 396 ARG H . 53286 1 725 . 1 . 1 180 180 ARG C C 13 176.8685765 0.028219846 . 1 . . . . . 396 ARG C . 53286 1 726 . 1 . 1 180 180 ARG CA C 13 56.74807193 0.061285528 . 1 . . . . . 396 ARG CA . 53286 1 727 . 1 . 1 180 180 ARG CB C 13 30.54662565 0.023909282 . 1 . . . . . 396 ARG CB . 53286 1 728 . 1 . 1 180 180 ARG N N 15 120.9621537 0.008361366 . 1 . . . . . 396 ARG N . 53286 1 729 . 1 . 1 181 181 THR H H 1 8.147897704 0.003122102 . 1 . . . . . 397 THR H . 53286 1 730 . 1 . 1 181 181 THR C C 13 175.0761597 0.035759437 . 1 . . . . . 397 THR C . 53286 1 731 . 1 . 1 181 181 THR CA C 13 62.04909598 0.044919977 . 1 . . . . . 397 THR CA . 53286 1 732 . 1 . 1 181 181 THR CB C 13 69.83288491 0.01040477 . 1 . . . . . 397 THR CB . 53286 1 733 . 1 . 1 181 181 THR N N 15 113.966923 0.021181998 . 1 . . . . . 397 THR N . 53286 1 734 . 1 . 1 182 182 THR H H 1 8.073757068 0.002303288 . 1 . . . . . 398 THR H . 53286 1 735 . 1 . 1 182 182 THR C C 13 175.2167652 0.033749137 . 1 . . . . . 398 THR C . 53286 1 736 . 1 . 1 182 182 THR CA C 13 62.10882749 0.043325993 . 1 . . . . . 398 THR CA . 53286 1 737 . 1 . 1 182 182 THR CB C 13 69.87458797 0.0207935 . 1 . . . . . 398 THR CB . 53286 1 738 . 1 . 1 182 182 THR N N 15 115.16796 0.004386555 . 1 . . . . . 398 THR N . 53286 1 739 . 1 . 1 183 183 GLY H H 1 8.302763806 0.000549682 . 1 . . . . . 399 GLY H . 53286 1 740 . 1 . 1 183 183 GLY CA C 13 45.38103081 0 . 1 . . . . . 399 GLY CA . 53286 1 741 . 1 . 1 183 183 GLY N N 15 110.5880539 0.015051841 . 1 . . . . . 399 GLY N . 53286 1 742 . 1 . 1 184 184 ASN C C 13 175.5193208 0 . 1 . . . . . 400 ASN C . 53286 1 743 . 1 . 1 184 184 ASN CA C 13 53.16328274 0 . 1 . . . . . 400 ASN CA . 53286 1 744 . 1 . 1 184 184 ASN CB C 13 38.66027897 0 . 1 . . . . . 400 ASN CB . 53286 1 745 . 1 . 1 185 185 TRP H H 1 8.153718587 0.001491583 . 1 . . . . . 401 TRP H . 53286 1 746 . 1 . 1 185 185 TRP C C 13 176.7611447 0.008334384 . 1 . . . . . 401 TRP C . 53286 1 747 . 1 . 1 185 185 TRP CA C 13 58.20269062 0.001757688 . 1 . . . . . 401 TRP CA . 53286 1 748 . 1 . 1 185 185 TRP CB C 13 29.3187724 0.000345147 . 1 . . . . . 401 TRP CB . 53286 1 749 . 1 . 1 185 185 TRP N N 15 121.7237463 0.005694747 . 1 . . . . . 401 TRP N . 53286 1 750 . 1 . 1 186 186 GLU H H 1 8.269189671 0.000565444 . 1 . . . . . 402 GLU H . 53286 1 751 . 1 . 1 186 186 GLU C C 13 177.0643316 0.014560392 . 1 . . . . . 402 GLU C . 53286 1 752 . 1 . 1 186 186 GLU CA C 13 57.45273241 0.00222316 . 1 . . . . . 402 GLU CA . 53286 1 753 . 1 . 1 186 186 GLU CB C 13 29.96277773 0.036159899 . 1 . . . . . 402 GLU CB . 53286 1 754 . 1 . 1 186 186 GLU N N 15 121.5138043 0.00817767 . 1 . . . . . 402 GLU N . 53286 1 755 . 1 . 1 187 187 SER H H 1 8.129432348 0.001357986 . 1 . . . . . 403 SER H . 53286 1 756 . 1 . 1 187 187 SER C C 13 177.0366764 0 . 1 . . . . . 403 SER C . 53286 1 757 . 1 . 1 187 187 SER CA C 13 59.38821003 0 . 1 . . . . . 403 SER CA . 53286 1 758 . 1 . 1 187 187 SER CB C 13 63.41093013 0 . 1 . . . . . 403 SER CB . 53286 1 759 . 1 . 1 187 187 SER N N 15 115.6222483 0.007869491 . 1 . . . . . 403 SER N . 53286 1 760 . 1 . 1 194 194 MET C C 13 176.7916628 0 . 1 . . . . . 410 MET C . 53286 1 761 . 1 . 1 194 194 MET CA C 13 56.00122726 0 . 1 . . . . . 410 MET CA . 53286 1 762 . 1 . 1 194 194 MET CB C 13 32.41749616 0 . 1 . . . . . 410 MET CB . 53286 1 763 . 1 . 1 195 195 LYS H H 1 8.1860923 0.001516423 . 1 . . . . . 411 LYS H . 53286 1 764 . 1 . 1 195 195 LYS C C 13 176.8010421 0.023585758 . 1 . . . . . 411 LYS C . 53286 1 765 . 1 . 1 195 195 LYS CA C 13 56.94114275 0.007471984 . 1 . . . . . 411 LYS CA . 53286 1 766 . 1 . 1 195 195 LYS CB C 13 32.66030406 0.032064943 . 1 . . . . . 411 LYS CB . 53286 1 767 . 1 . 1 195 195 LYS N N 15 121.1961285 0.00809294 . 1 . . . . . 411 LYS N . 53286 1 768 . 1 . 1 196 196 LYS H H 1 8.078036198 0.000664877 . 1 . . . . . 412 LYS H . 53286 1 769 . 1 . 1 196 196 LYS C C 13 176.5785447 0.006684009 . 1 . . . . . 412 LYS C . 53286 1 770 . 1 . 1 196 196 LYS CA C 13 56.51505361 0.057430857 . 1 . . . . . 412 LYS CA . 53286 1 771 . 1 . 1 196 196 LYS CB C 13 32.99383515 0.006550428 . 1 . . . . . 412 LYS CB . 53286 1 772 . 1 . 1 196 196 LYS N N 15 121.3683749 0.004095269 . 1 . . . . . 412 LYS N . 53286 1 773 . 1 . 1 197 197 ARG H H 1 8.224329874 0.000927618 . 1 . . . . . 413 ARG H . 53286 1 774 . 1 . 1 197 197 ARG C C 13 176.058862 0 . 1 . . . . . 413 ARG C . 53286 1 775 . 1 . 1 197 197 ARG CA C 13 56.05388437 0 . 1 . . . . . 413 ARG CA . 53286 1 776 . 1 . 1 197 197 ARG CB C 13 30.83538681 0 . 1 . . . . . 413 ARG CB . 53286 1 777 . 1 . 1 197 197 ARG N N 15 122.1606556 0.008489142 . 1 . . . . . 413 ARG N . 53286 1 778 . 1 . 1 198 198 LYS C C 13 176.0461351 0 . 1 . . . . . 414 LYS C . 53286 1 779 . 1 . 1 198 198 LYS CA C 13 56.67028728 0 . 1 . . . . . 414 LYS CA . 53286 1 780 . 1 . 1 198 198 LYS CB C 13 33.21175491 0 . 1 . . . . . 414 LYS CB . 53286 1 781 . 1 . 1 199 199 TYR H H 1 8.166472112 0.000934343 . 1 . . . . . 415 TYR H . 53286 1 782 . 1 . 1 199 199 TYR C C 13 175.0784765 0.035501759 . 1 . . . . . 415 TYR C . 53286 1 783 . 1 . 1 199 199 TYR CA C 13 57.45618302 0.002719688 . 1 . . . . . 415 TYR CA . 53286 1 784 . 1 . 1 199 199 TYR CB C 13 38.86091241 0.009555521 . 1 . . . . . 415 TYR CB . 53286 1 785 . 1 . 1 199 199 TYR N N 15 120.9624425 0.003975467 . 1 . . . . . 415 TYR N . 53286 1 786 . 1 . 1 200 200 ASP H H 1 8.176761774 0.000874553 . 1 . . . . . 416 ASP H . 53286 1 787 . 1 . 1 200 200 ASP C C 13 174.2517299 0 . 1 . . . . . 416 ASP C . 53286 1 788 . 1 . 1 200 200 ASP CA C 13 52.26046521 0 . 1 . . . . . 416 ASP CA . 53286 1 789 . 1 . 1 200 200 ASP CB C 13 41.15170901 0 . 1 . . . . . 416 ASP CB . 53286 1 790 . 1 . 1 200 200 ASP N N 15 124.0816376 0.008081587 . 1 . . . . . 416 ASP N . 53286 1 stop_ save_