data_53339 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53339 _Entry.Title ; 1H 13C 15N assignment of IDR3-domain (362-419) of nucleocapsid protein of SARS-CoV 2 in the full-length protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-02 _Entry.Accession_date 2025-09-02 _Entry.Last_release_date 2025-09-02 _Entry.Original_release_date 2025-09-02 _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 '1H 13C 15N assignment of IDR3-domain (362-419) of nucleocapsid protein of SARS-CoV 2 in the full-length protein (1-419)' _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 Tessa Bolognesi . . . 0000-0002-6529-9360 53339 2 Marco Schiavina . . . 0000-0001-8825-8900 53339 3 Cristina Ciabini . . . 0009-0009-2345-5597 53339 4 Roberta Pierattelli . . . 0000-0001-7755-0885 53339 5 Isabella Felli . C. . 0000-0002-6018-9090 53339 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53339 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 141 53339 '15N chemical shifts' 49 53339 '1H chemical shifts' 44 53339 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 . . 2025-11-11 . original BMRB . 53339 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50618 '1H 13C 15N assignment of IDR2-domain (176-248) of Nucleocapsid Protein of SARS-CoV 2 in the 1-248 construct' 53339 BMRB 50619 '1H 13C 15N assignment of IDR1-domain (1-47) of Nucleocapsid Protein of SARS-CoV 2 in the 1-248 construct' 53339 BMRB 51620 'NMR assignment of NTD (44 - 180) of Nucleocapsid Protein of SARS-CoV-2' 53339 PDB 9QWI 'The N-terminal domain (44-180) of the SARS-CoV-2 nucleocapsid phosphoprotein using an automatic assignment/modeling software' 53339 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53339 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40945576 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Exploring the Role of Structural and Dynamic Complexity in SARS-CoV-2 Nucleocapsid Protein-Heparin Interactions by NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 437 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 169437 _Citation.Page_last 169437 _Citation.Year 2025 _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 Tessa Bolognesi . . . . 53339 1 2 Marco Schiavina . . . . 53339 1 3 Cristina Ciabini . . . . 53339 1 4 Michela Parafioriti . . . . 53339 1 5 Cristina Gardini . . . . 53339 1 6 Stefano Elli . . . . 53339 1 7 Marco Guerrini . . . . 53339 1 8 Roberta Pierattelli . . . . 53339 1 9 Isabella Felli . C. . . 53339 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Heparin 53339 1 'Molecular dynamics simulation' 53339 1 'Multidomain protein' 53339 1 SARS-CoV-2 53339 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53339 _Assembly.ID 1 _Assembly.Name 'Nucleocapsid protein of SARS-CoV 2' _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 'Nucleocapsid protein of SARS-CoV 2' 1 $entity_1 . . yes native no no . . . 53339 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP P0DTC9 . . . . . . 53339 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53339 _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 ; MSDNGPQNQRNAPRITFGGP SDSTGSNQNGERSGARSKQR RPQGLPNNTASWFTALTQHG KEDLKFPRGQGVPINTNSSP DDQIGYYRRATRRIRGGDGK MKDLSPRWYFYYLGTGPEAG LPYGANKDGIIWVATEGALN TPKDHIGTRNPANNAAIVLQ LPQGTTLPKGFYAEGSRGGS QASSRSSSRSRNSSRNSTPG SSRGTSPARMAGNGGDAALA LLLLDRLNQLESKMSGKGQQ QQGQTVTKKSAAEASKKPRQ KRTATKAYNVTQAFGRRGPE QTQGNFGDQELIRQGTDYKH WPQIAQFAPSASAFFGMSRI GMEVTPSGTWLTYTGAIKLD DKDPNFKDQVILLNKHIDAY KTFPPTEPKKDKKKKADETQ ALPQRQKKQQTVTLLPAADL DDFSKQLQQSMSSADSTQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 419 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Full Length' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 45620 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P0DTC9 . NCAP_SARS2 . . . . . . . . . . . . . . 53339 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53339 1 2 . SER . 53339 1 3 . ASP . 53339 1 4 . ASN . 53339 1 5 . GLY . 53339 1 6 . PRO . 53339 1 7 . GLN . 53339 1 8 . ASN . 53339 1 9 . GLN . 53339 1 10 . ARG . 53339 1 11 . ASN . 53339 1 12 . ALA . 53339 1 13 . PRO . 53339 1 14 . ARG . 53339 1 15 . ILE . 53339 1 16 . THR . 53339 1 17 . PHE . 53339 1 18 . GLY . 53339 1 19 . GLY . 53339 1 20 . PRO . 53339 1 21 . SER . 53339 1 22 . ASP . 53339 1 23 . SER . 53339 1 24 . THR . 53339 1 25 . GLY . 53339 1 26 . SER . 53339 1 27 . ASN . 53339 1 28 . GLN . 53339 1 29 . ASN . 53339 1 30 . GLY . 53339 1 31 . GLU . 53339 1 32 . ARG . 53339 1 33 . SER . 53339 1 34 . GLY . 53339 1 35 . ALA . 53339 1 36 . ARG . 53339 1 37 . SER . 53339 1 38 . LYS . 53339 1 39 . GLN . 53339 1 40 . ARG . 53339 1 41 . ARG . 53339 1 42 . PRO . 53339 1 43 . GLN . 53339 1 44 . GLY . 53339 1 45 . LEU . 53339 1 46 . PRO . 53339 1 47 . ASN . 53339 1 48 . ASN . 53339 1 49 . THR . 53339 1 50 . ALA . 53339 1 51 . SER . 53339 1 52 . TRP . 53339 1 53 . PHE . 53339 1 54 . THR . 53339 1 55 . ALA . 53339 1 56 . LEU . 53339 1 57 . THR . 53339 1 58 . GLN . 53339 1 59 . HIS . 53339 1 60 . GLY . 53339 1 61 . LYS . 53339 1 62 . GLU . 53339 1 63 . ASP . 53339 1 64 . LEU . 53339 1 65 . LYS . 53339 1 66 . PHE . 53339 1 67 . PRO . 53339 1 68 . ARG . 53339 1 69 . GLY . 53339 1 70 . GLN . 53339 1 71 . GLY . 53339 1 72 . VAL . 53339 1 73 . PRO . 53339 1 74 . ILE . 53339 1 75 . ASN . 53339 1 76 . THR . 53339 1 77 . ASN . 53339 1 78 . SER . 53339 1 79 . SER . 53339 1 80 . PRO . 53339 1 81 . ASP . 53339 1 82 . ASP . 53339 1 83 . GLN . 53339 1 84 . ILE . 53339 1 85 . GLY . 53339 1 86 . TYR . 53339 1 87 . TYR . 53339 1 88 . ARG . 53339 1 89 . ARG . 53339 1 90 . ALA . 53339 1 91 . THR . 53339 1 92 . ARG . 53339 1 93 . ARG . 53339 1 94 . ILE . 53339 1 95 . ARG . 53339 1 96 . GLY . 53339 1 97 . GLY . 53339 1 98 . ASP . 53339 1 99 . GLY . 53339 1 100 . LYS . 53339 1 101 . MET . 53339 1 102 . LYS . 53339 1 103 . ASP . 53339 1 104 . LEU . 53339 1 105 . SER . 53339 1 106 . PRO . 53339 1 107 . ARG . 53339 1 108 . TRP . 53339 1 109 . TYR . 53339 1 110 . PHE . 53339 1 111 . TYR . 53339 1 112 . TYR . 53339 1 113 . LEU . 53339 1 114 . GLY . 53339 1 115 . THR . 53339 1 116 . GLY . 53339 1 117 . PRO . 53339 1 118 . GLU . 53339 1 119 . ALA . 53339 1 120 . GLY . 53339 1 121 . LEU . 53339 1 122 . PRO . 53339 1 123 . TYR . 53339 1 124 . GLY . 53339 1 125 . ALA . 53339 1 126 . ASN . 53339 1 127 . LYS . 53339 1 128 . ASP . 53339 1 129 . GLY . 53339 1 130 . ILE . 53339 1 131 . ILE . 53339 1 132 . TRP . 53339 1 133 . VAL . 53339 1 134 . ALA . 53339 1 135 . THR . 53339 1 136 . GLU . 53339 1 137 . GLY . 53339 1 138 . ALA . 53339 1 139 . LEU . 53339 1 140 . ASN . 53339 1 141 . THR . 53339 1 142 . PRO . 53339 1 143 . LYS . 53339 1 144 . ASP . 53339 1 145 . HIS . 53339 1 146 . ILE . 53339 1 147 . GLY . 53339 1 148 . THR . 53339 1 149 . ARG . 53339 1 150 . ASN . 53339 1 151 . PRO . 53339 1 152 . ALA . 53339 1 153 . ASN . 53339 1 154 . ASN . 53339 1 155 . ALA . 53339 1 156 . ALA . 53339 1 157 . ILE . 53339 1 158 . VAL . 53339 1 159 . LEU . 53339 1 160 . GLN . 53339 1 161 . LEU . 53339 1 162 . PRO . 53339 1 163 . GLN . 53339 1 164 . GLY . 53339 1 165 . THR . 53339 1 166 . THR . 53339 1 167 . LEU . 53339 1 168 . PRO . 53339 1 169 . LYS . 53339 1 170 . GLY . 53339 1 171 . PHE . 53339 1 172 . TYR . 53339 1 173 . ALA . 53339 1 174 . GLU . 53339 1 175 . GLY . 53339 1 176 . SER . 53339 1 177 . ARG . 53339 1 178 . GLY . 53339 1 179 . GLY . 53339 1 180 . SER . 53339 1 181 . GLN . 53339 1 182 . ALA . 53339 1 183 . SER . 53339 1 184 . SER . 53339 1 185 . ARG . 53339 1 186 . SER . 53339 1 187 . SER . 53339 1 188 . SER . 53339 1 189 . ARG . 53339 1 190 . SER . 53339 1 191 . ARG . 53339 1 192 . ASN . 53339 1 193 . SER . 53339 1 194 . SER . 53339 1 195 . ARG . 53339 1 196 . ASN . 53339 1 197 . SER . 53339 1 198 . THR . 53339 1 199 . PRO . 53339 1 200 . GLY . 53339 1 201 . SER . 53339 1 202 . SER . 53339 1 203 . ARG . 53339 1 204 . GLY . 53339 1 205 . THR . 53339 1 206 . SER . 53339 1 207 . PRO . 53339 1 208 . ALA . 53339 1 209 . ARG . 53339 1 210 . MET . 53339 1 211 . ALA . 53339 1 212 . GLY . 53339 1 213 . ASN . 53339 1 214 . GLY . 53339 1 215 . GLY . 53339 1 216 . ASP . 53339 1 217 . ALA . 53339 1 218 . ALA . 53339 1 219 . LEU . 53339 1 220 . ALA . 53339 1 221 . LEU . 53339 1 222 . LEU . 53339 1 223 . LEU . 53339 1 224 . LEU . 53339 1 225 . ASP . 53339 1 226 . ARG . 53339 1 227 . LEU . 53339 1 228 . ASN . 53339 1 229 . GLN . 53339 1 230 . LEU . 53339 1 231 . GLU . 53339 1 232 . SER . 53339 1 233 . LYS . 53339 1 234 . MET . 53339 1 235 . SER . 53339 1 236 . GLY . 53339 1 237 . LYS . 53339 1 238 . GLY . 53339 1 239 . GLN . 53339 1 240 . GLN . 53339 1 241 . GLN . 53339 1 242 . GLN . 53339 1 243 . GLY . 53339 1 244 . GLN . 53339 1 245 . THR . 53339 1 246 . VAL . 53339 1 247 . THR . 53339 1 248 . LYS . 53339 1 249 . LYS . 53339 1 250 . SER . 53339 1 251 . ALA . 53339 1 252 . ALA . 53339 1 253 . GLU . 53339 1 254 . ALA . 53339 1 255 . SER . 53339 1 256 . LYS . 53339 1 257 . LYS . 53339 1 258 . PRO . 53339 1 259 . ARG . 53339 1 260 . GLN . 53339 1 261 . LYS . 53339 1 262 . ARG . 53339 1 263 . THR . 53339 1 264 . ALA . 53339 1 265 . THR . 53339 1 266 . LYS . 53339 1 267 . ALA . 53339 1 268 . TYR . 53339 1 269 . ASN . 53339 1 270 . VAL . 53339 1 271 . THR . 53339 1 272 . GLN . 53339 1 273 . ALA . 53339 1 274 . PHE . 53339 1 275 . GLY . 53339 1 276 . ARG . 53339 1 277 . ARG . 53339 1 278 . GLY . 53339 1 279 . PRO . 53339 1 280 . GLU . 53339 1 281 . GLN . 53339 1 282 . THR . 53339 1 283 . GLN . 53339 1 284 . GLY . 53339 1 285 . ASN . 53339 1 286 . PHE . 53339 1 287 . GLY . 53339 1 288 . ASP . 53339 1 289 . GLN . 53339 1 290 . GLU . 53339 1 291 . LEU . 53339 1 292 . ILE . 53339 1 293 . ARG . 53339 1 294 . GLN . 53339 1 295 . GLY . 53339 1 296 . THR . 53339 1 297 . ASP . 53339 1 298 . TYR . 53339 1 299 . LYS . 53339 1 300 . HIS . 53339 1 301 . TRP . 53339 1 302 . PRO . 53339 1 303 . GLN . 53339 1 304 . ILE . 53339 1 305 . ALA . 53339 1 306 . GLN . 53339 1 307 . PHE . 53339 1 308 . ALA . 53339 1 309 . PRO . 53339 1 310 . SER . 53339 1 311 . ALA . 53339 1 312 . SER . 53339 1 313 . ALA . 53339 1 314 . PHE . 53339 1 315 . PHE . 53339 1 316 . GLY . 53339 1 317 . MET . 53339 1 318 . SER . 53339 1 319 . ARG . 53339 1 320 . ILE . 53339 1 321 . GLY . 53339 1 322 . MET . 53339 1 323 . GLU . 53339 1 324 . VAL . 53339 1 325 . THR . 53339 1 326 . PRO . 53339 1 327 . SER . 53339 1 328 . GLY . 53339 1 329 . THR . 53339 1 330 . TRP . 53339 1 331 . LEU . 53339 1 332 . THR . 53339 1 333 . TYR . 53339 1 334 . THR . 53339 1 335 . GLY . 53339 1 336 . ALA . 53339 1 337 . ILE . 53339 1 338 . LYS . 53339 1 339 . LEU . 53339 1 340 . ASP . 53339 1 341 . ASP . 53339 1 342 . LYS . 53339 1 343 . ASP . 53339 1 344 . PRO . 53339 1 345 . ASN . 53339 1 346 . PHE . 53339 1 347 . LYS . 53339 1 348 . ASP . 53339 1 349 . GLN . 53339 1 350 . VAL . 53339 1 351 . ILE . 53339 1 352 . LEU . 53339 1 353 . LEU . 53339 1 354 . ASN . 53339 1 355 . LYS . 53339 1 356 . HIS . 53339 1 357 . ILE . 53339 1 358 . ASP . 53339 1 359 . ALA . 53339 1 360 . TYR . 53339 1 361 . LYS . 53339 1 362 . THR . 53339 1 363 . PHE . 53339 1 364 . PRO . 53339 1 365 . PRO . 53339 1 366 . THR . 53339 1 367 . GLU . 53339 1 368 . PRO . 53339 1 369 . LYS . 53339 1 370 . LYS . 53339 1 371 . ASP . 53339 1 372 . LYS . 53339 1 373 . LYS . 53339 1 374 . LYS . 53339 1 375 . LYS . 53339 1 376 . ALA . 53339 1 377 . ASP . 53339 1 378 . GLU . 53339 1 379 . THR . 53339 1 380 . GLN . 53339 1 381 . ALA . 53339 1 382 . LEU . 53339 1 383 . PRO . 53339 1 384 . GLN . 53339 1 385 . ARG . 53339 1 386 . GLN . 53339 1 387 . LYS . 53339 1 388 . LYS . 53339 1 389 . GLN . 53339 1 390 . GLN . 53339 1 391 . THR . 53339 1 392 . VAL . 53339 1 393 . THR . 53339 1 394 . LEU . 53339 1 395 . LEU . 53339 1 396 . PRO . 53339 1 397 . ALA . 53339 1 398 . ALA . 53339 1 399 . ASP . 53339 1 400 . LEU . 53339 1 401 . ASP . 53339 1 402 . ASP . 53339 1 403 . PHE . 53339 1 404 . SER . 53339 1 405 . LYS . 53339 1 406 . GLN . 53339 1 407 . LEU . 53339 1 408 . GLN . 53339 1 409 . GLN . 53339 1 410 . SER . 53339 1 411 . MET . 53339 1 412 . SER . 53339 1 413 . SER . 53339 1 414 . ALA . 53339 1 415 . ASP . 53339 1 416 . SER . 53339 1 417 . THR . 53339 1 418 . GLN . 53339 1 419 . ALA . 53339 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53339 1 . SER 2 2 53339 1 . ASP 3 3 53339 1 . ASN 4 4 53339 1 . GLY 5 5 53339 1 . PRO 6 6 53339 1 . GLN 7 7 53339 1 . ASN 8 8 53339 1 . GLN 9 9 53339 1 . ARG 10 10 53339 1 . ASN 11 11 53339 1 . ALA 12 12 53339 1 . PRO 13 13 53339 1 . ARG 14 14 53339 1 . ILE 15 15 53339 1 . THR 16 16 53339 1 . PHE 17 17 53339 1 . GLY 18 18 53339 1 . GLY 19 19 53339 1 . PRO 20 20 53339 1 . SER 21 21 53339 1 . ASP 22 22 53339 1 . SER 23 23 53339 1 . THR 24 24 53339 1 . GLY 25 25 53339 1 . SER 26 26 53339 1 . ASN 27 27 53339 1 . GLN 28 28 53339 1 . ASN 29 29 53339 1 . GLY 30 30 53339 1 . GLU 31 31 53339 1 . ARG 32 32 53339 1 . SER 33 33 53339 1 . GLY 34 34 53339 1 . ALA 35 35 53339 1 . ARG 36 36 53339 1 . SER 37 37 53339 1 . LYS 38 38 53339 1 . GLN 39 39 53339 1 . ARG 40 40 53339 1 . ARG 41 41 53339 1 . PRO 42 42 53339 1 . GLN 43 43 53339 1 . GLY 44 44 53339 1 . LEU 45 45 53339 1 . PRO 46 46 53339 1 . ASN 47 47 53339 1 . ASN 48 48 53339 1 . THR 49 49 53339 1 . ALA 50 50 53339 1 . SER 51 51 53339 1 . TRP 52 52 53339 1 . PHE 53 53 53339 1 . THR 54 54 53339 1 . ALA 55 55 53339 1 . LEU 56 56 53339 1 . THR 57 57 53339 1 . GLN 58 58 53339 1 . HIS 59 59 53339 1 . GLY 60 60 53339 1 . LYS 61 61 53339 1 . GLU 62 62 53339 1 . ASP 63 63 53339 1 . LEU 64 64 53339 1 . LYS 65 65 53339 1 . PHE 66 66 53339 1 . PRO 67 67 53339 1 . ARG 68 68 53339 1 . GLY 69 69 53339 1 . GLN 70 70 53339 1 . GLY 71 71 53339 1 . VAL 72 72 53339 1 . PRO 73 73 53339 1 . ILE 74 74 53339 1 . ASN 75 75 53339 1 . THR 76 76 53339 1 . ASN 77 77 53339 1 . SER 78 78 53339 1 . SER 79 79 53339 1 . PRO 80 80 53339 1 . ASP 81 81 53339 1 . ASP 82 82 53339 1 . GLN 83 83 53339 1 . ILE 84 84 53339 1 . GLY 85 85 53339 1 . TYR 86 86 53339 1 . TYR 87 87 53339 1 . ARG 88 88 53339 1 . ARG 89 89 53339 1 . ALA 90 90 53339 1 . THR 91 91 53339 1 . ARG 92 92 53339 1 . ARG 93 93 53339 1 . ILE 94 94 53339 1 . ARG 95 95 53339 1 . GLY 96 96 53339 1 . GLY 97 97 53339 1 . ASP 98 98 53339 1 . GLY 99 99 53339 1 . LYS 100 100 53339 1 . MET 101 101 53339 1 . LYS 102 102 53339 1 . ASP 103 103 53339 1 . LEU 104 104 53339 1 . SER 105 105 53339 1 . PRO 106 106 53339 1 . ARG 107 107 53339 1 . TRP 108 108 53339 1 . TYR 109 109 53339 1 . PHE 110 110 53339 1 . TYR 111 111 53339 1 . TYR 112 112 53339 1 . LEU 113 113 53339 1 . GLY 114 114 53339 1 . THR 115 115 53339 1 . GLY 116 116 53339 1 . PRO 117 117 53339 1 . GLU 118 118 53339 1 . ALA 119 119 53339 1 . GLY 120 120 53339 1 . LEU 121 121 53339 1 . PRO 122 122 53339 1 . TYR 123 123 53339 1 . GLY 124 124 53339 1 . ALA 125 125 53339 1 . ASN 126 126 53339 1 . LYS 127 127 53339 1 . ASP 128 128 53339 1 . GLY 129 129 53339 1 . ILE 130 130 53339 1 . ILE 131 131 53339 1 . TRP 132 132 53339 1 . VAL 133 133 53339 1 . ALA 134 134 53339 1 . THR 135 135 53339 1 . GLU 136 136 53339 1 . GLY 137 137 53339 1 . ALA 138 138 53339 1 . LEU 139 139 53339 1 . ASN 140 140 53339 1 . THR 141 141 53339 1 . PRO 142 142 53339 1 . LYS 143 143 53339 1 . ASP 144 144 53339 1 . HIS 145 145 53339 1 . ILE 146 146 53339 1 . GLY 147 147 53339 1 . THR 148 148 53339 1 . ARG 149 149 53339 1 . ASN 150 150 53339 1 . PRO 151 151 53339 1 . ALA 152 152 53339 1 . ASN 153 153 53339 1 . ASN 154 154 53339 1 . ALA 155 155 53339 1 . ALA 156 156 53339 1 . ILE 157 157 53339 1 . VAL 158 158 53339 1 . LEU 159 159 53339 1 . GLN 160 160 53339 1 . LEU 161 161 53339 1 . PRO 162 162 53339 1 . GLN 163 163 53339 1 . GLY 164 164 53339 1 . THR 165 165 53339 1 . THR 166 166 53339 1 . LEU 167 167 53339 1 . PRO 168 168 53339 1 . LYS 169 169 53339 1 . GLY 170 170 53339 1 . PHE 171 171 53339 1 . TYR 172 172 53339 1 . ALA 173 173 53339 1 . GLU 174 174 53339 1 . GLY 175 175 53339 1 . SER 176 176 53339 1 . ARG 177 177 53339 1 . GLY 178 178 53339 1 . GLY 179 179 53339 1 . SER 180 180 53339 1 . GLN 181 181 53339 1 . ALA 182 182 53339 1 . SER 183 183 53339 1 . SER 184 184 53339 1 . ARG 185 185 53339 1 . SER 186 186 53339 1 . SER 187 187 53339 1 . SER 188 188 53339 1 . ARG 189 189 53339 1 . SER 190 190 53339 1 . ARG 191 191 53339 1 . ASN 192 192 53339 1 . SER 193 193 53339 1 . SER 194 194 53339 1 . ARG 195 195 53339 1 . ASN 196 196 53339 1 . SER 197 197 53339 1 . THR 198 198 53339 1 . PRO 199 199 53339 1 . GLY 200 200 53339 1 . SER 201 201 53339 1 . SER 202 202 53339 1 . ARG 203 203 53339 1 . GLY 204 204 53339 1 . THR 205 205 53339 1 . SER 206 206 53339 1 . PRO 207 207 53339 1 . ALA 208 208 53339 1 . ARG 209 209 53339 1 . MET 210 210 53339 1 . ALA 211 211 53339 1 . GLY 212 212 53339 1 . ASN 213 213 53339 1 . GLY 214 214 53339 1 . GLY 215 215 53339 1 . ASP 216 216 53339 1 . ALA 217 217 53339 1 . ALA 218 218 53339 1 . LEU 219 219 53339 1 . ALA 220 220 53339 1 . LEU 221 221 53339 1 . LEU 222 222 53339 1 . LEU 223 223 53339 1 . LEU 224 224 53339 1 . ASP 225 225 53339 1 . ARG 226 226 53339 1 . LEU 227 227 53339 1 . ASN 228 228 53339 1 . GLN 229 229 53339 1 . LEU 230 230 53339 1 . GLU 231 231 53339 1 . SER 232 232 53339 1 . LYS 233 233 53339 1 . MET 234 234 53339 1 . SER 235 235 53339 1 . GLY 236 236 53339 1 . LYS 237 237 53339 1 . GLY 238 238 53339 1 . GLN 239 239 53339 1 . GLN 240 240 53339 1 . GLN 241 241 53339 1 . GLN 242 242 53339 1 . GLY 243 243 53339 1 . GLN 244 244 53339 1 . THR 245 245 53339 1 . VAL 246 246 53339 1 . THR 247 247 53339 1 . LYS 248 248 53339 1 . LYS 249 249 53339 1 . SER 250 250 53339 1 . ALA 251 251 53339 1 . ALA 252 252 53339 1 . GLU 253 253 53339 1 . ALA 254 254 53339 1 . SER 255 255 53339 1 . LYS 256 256 53339 1 . LYS 257 257 53339 1 . PRO 258 258 53339 1 . ARG 259 259 53339 1 . GLN 260 260 53339 1 . LYS 261 261 53339 1 . ARG 262 262 53339 1 . THR 263 263 53339 1 . ALA 264 264 53339 1 . THR 265 265 53339 1 . LYS 266 266 53339 1 . ALA 267 267 53339 1 . TYR 268 268 53339 1 . ASN 269 269 53339 1 . VAL 270 270 53339 1 . THR 271 271 53339 1 . GLN 272 272 53339 1 . ALA 273 273 53339 1 . PHE 274 274 53339 1 . GLY 275 275 53339 1 . ARG 276 276 53339 1 . ARG 277 277 53339 1 . GLY 278 278 53339 1 . PRO 279 279 53339 1 . GLU 280 280 53339 1 . GLN 281 281 53339 1 . THR 282 282 53339 1 . GLN 283 283 53339 1 . GLY 284 284 53339 1 . ASN 285 285 53339 1 . PHE 286 286 53339 1 . GLY 287 287 53339 1 . ASP 288 288 53339 1 . GLN 289 289 53339 1 . GLU 290 290 53339 1 . LEU 291 291 53339 1 . ILE 292 292 53339 1 . ARG 293 293 53339 1 . GLN 294 294 53339 1 . GLY 295 295 53339 1 . THR 296 296 53339 1 . ASP 297 297 53339 1 . TYR 298 298 53339 1 . LYS 299 299 53339 1 . HIS 300 300 53339 1 . TRP 301 301 53339 1 . PRO 302 302 53339 1 . GLN 303 303 53339 1 . ILE 304 304 53339 1 . ALA 305 305 53339 1 . GLN 306 306 53339 1 . PHE 307 307 53339 1 . ALA 308 308 53339 1 . PRO 309 309 53339 1 . SER 310 310 53339 1 . ALA 311 311 53339 1 . SER 312 312 53339 1 . ALA 313 313 53339 1 . PHE 314 314 53339 1 . PHE 315 315 53339 1 . GLY 316 316 53339 1 . MET 317 317 53339 1 . SER 318 318 53339 1 . ARG 319 319 53339 1 . ILE 320 320 53339 1 . GLY 321 321 53339 1 . MET 322 322 53339 1 . GLU 323 323 53339 1 . VAL 324 324 53339 1 . THR 325 325 53339 1 . PRO 326 326 53339 1 . SER 327 327 53339 1 . GLY 328 328 53339 1 . THR 329 329 53339 1 . TRP 330 330 53339 1 . LEU 331 331 53339 1 . THR 332 332 53339 1 . TYR 333 333 53339 1 . THR 334 334 53339 1 . GLY 335 335 53339 1 . ALA 336 336 53339 1 . ILE 337 337 53339 1 . LYS 338 338 53339 1 . LEU 339 339 53339 1 . ASP 340 340 53339 1 . ASP 341 341 53339 1 . LYS 342 342 53339 1 . ASP 343 343 53339 1 . PRO 344 344 53339 1 . ASN 345 345 53339 1 . PHE 346 346 53339 1 . LYS 347 347 53339 1 . ASP 348 348 53339 1 . GLN 349 349 53339 1 . VAL 350 350 53339 1 . ILE 351 351 53339 1 . LEU 352 352 53339 1 . LEU 353 353 53339 1 . ASN 354 354 53339 1 . LYS 355 355 53339 1 . HIS 356 356 53339 1 . ILE 357 357 53339 1 . ASP 358 358 53339 1 . ALA 359 359 53339 1 . TYR 360 360 53339 1 . LYS 361 361 53339 1 . THR 362 362 53339 1 . PHE 363 363 53339 1 . PRO 364 364 53339 1 . PRO 365 365 53339 1 . THR 366 366 53339 1 . GLU 367 367 53339 1 . PRO 368 368 53339 1 . LYS 369 369 53339 1 . LYS 370 370 53339 1 . ASP 371 371 53339 1 . LYS 372 372 53339 1 . LYS 373 373 53339 1 . LYS 374 374 53339 1 . LYS 375 375 53339 1 . ALA 376 376 53339 1 . ASP 377 377 53339 1 . GLU 378 378 53339 1 . THR 379 379 53339 1 . GLN 380 380 53339 1 . ALA 381 381 53339 1 . LEU 382 382 53339 1 . PRO 383 383 53339 1 . GLN 384 384 53339 1 . ARG 385 385 53339 1 . GLN 386 386 53339 1 . LYS 387 387 53339 1 . LYS 388 388 53339 1 . GLN 389 389 53339 1 . GLN 390 390 53339 1 . THR 391 391 53339 1 . VAL 392 392 53339 1 . THR 393 393 53339 1 . LEU 394 394 53339 1 . LEU 395 395 53339 1 . PRO 396 396 53339 1 . ALA 397 397 53339 1 . ALA 398 398 53339 1 . ASP 399 399 53339 1 . LEU 400 400 53339 1 . ASP 401 401 53339 1 . ASP 402 402 53339 1 . PHE 403 403 53339 1 . SER 404 404 53339 1 . LYS 405 405 53339 1 . GLN 406 406 53339 1 . LEU 407 407 53339 1 . GLN 408 408 53339 1 . GLN 409 409 53339 1 . SER 410 410 53339 1 . MET 411 411 53339 1 . SER 412 412 53339 1 . SER 413 413 53339 1 . ALA 414 414 53339 1 . ASP 415 415 53339 1 . SER 416 416 53339 1 . THR 417 417 53339 1 . GLN 418 418 53339 1 . ALA 419 419 53339 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 53339 _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 . 2697049 organism . 'Severe acute respiratory syndrome coronavirus 2' SARS-CoV-2 . . Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 . . . . . . . . . . N . 53339 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 53339 _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 . . pet29b+ . . . 53339 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53339 _Sample.ID 1 _Sample.Name 'SARS-CoV 2 Nucleocapsid protein:1-419' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 13C-15N labelled sample. 100 mM protein in 25 mM TRIS and 450 mM NaCl, 0,05% NaN3, 20 mM EDTA and Protease Inhibitor Cocktail, pH 7.3 at 283K. ; _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 'Nucleocapsid protein of SARS-CoV 2' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 53339 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 53339 1 3 'sodium chloride' 'natural abundance' . . . . . . 450 . . mM . . . . 53339 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 53339 1 5 EDTA 'natural abundance' . . . . . . 20 . . uM . . . . 53339 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 53339 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'SARS-CoV 2 Nucleocapsid protein:1-419' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.45 . M 53339 1 pH 7.3 . pH 53339 1 pressure 1 . atm 53339 1 temperature 283 . K 53339 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53339 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53339 1 processing . 53339 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53339 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53339 2 'peak picking' . 53339 2 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 53339 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 1200-TXO _NMR_spectrometer.Details ; 28.4 T Bruker AVANCE NEO spectrometer operating at 1200.73 MHz 1H, 301.92 MHz 13C, and 121.67 MHz 15N equipped with a 5 mm cryogenically cooled probehead optimized for 13C-direct detection (CP-TXO). ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1200 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53339 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 700-TCI _NMR_spectrometer.Details ; 16.4 T Bruker AVANCE NEO spectrometer operating at 700.13 MHz 1H, 176.05 MHz 13C, and 70.94 MHz 15N frequencies, equipped with a 5 mm cryogenically cooled probehead optimized for 1H direct detection (TCI). ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 53339 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 700-TXO _NMR_spectrometer.Details ; 16.4 T Bruker AVANCE NEO spectrometer operating at 700.13 MHz 1H, 176.05 MHz 13C, and 70.94 MHz 15N frequencies, equipped with a 5 mm cooled probehead optimized for 13C-direct detection (CP-TXO). ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 53339 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53339 1 2 '2D 1H-15N BEST TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53339 1 3 '2D 13C-15N CON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53339 1 4 '2D 13C-13C hCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53339 1 5 '2D 13C-13C hCBCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53339 1 6 '3D BEST TROSY HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53339 1 7 '3D BEST TROSY HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53339 1 8 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53339 1 9 '3D CBCANH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53339 1 10 '3D HCBCACON' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53339 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 53339 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'SARS-CoV 2 Nucleocapsid protein:1-419' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . 53339 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 53339 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53339 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 53339 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H 13C 15N assignment of IDR3-domain (362-419) of nucleocapsid protein of SARS-CoV 2 Nucleocapsid protein:1-419' _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' . . . 53339 1 2 '2D 1H-15N BEST TROSY' . . . 53339 1 3 '2D 13C-15N CON' . . . 53339 1 4 '2D 13C-13C hCACO' . . . 53339 1 5 '2D 13C-13C hCBCACO' . . . 53339 1 6 '3D BEST TROSY HNCO' . . . 53339 1 7 '3D BEST TROSY HNCACO' . . . 53339 1 8 '3D CBCA(CO)NH' . . . 53339 1 9 '3D CBCANH' . . . 53339 1 10 '3D HCBCACON' . . . 53339 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 2 $software_2 . . 53339 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 . 1 366 366 THR H H 1 8.145 0.001 . . . . . . . 366 T HN . 53339 1 2 . 1 . 1 366 366 THR C C 13 174.628 0.000 . . . . . . . 366 T C . 53339 1 3 . 1 . 1 366 366 THR CA C 13 62.016 0.000 . . . . . . . 366 T CA . 53339 1 4 . 1 . 1 366 366 THR CB C 13 69.579 0.000 . . . . . . . 366 T CB . 53339 1 5 . 1 . 1 366 366 THR N N 15 115.000 0.001 . . . . . . . 366 T N . 53339 1 6 . 1 . 1 367 367 GLU H H 1 8.104 0.003 . . . . . . . 367 E HN . 53339 1 7 . 1 . 1 367 367 GLU C C 13 177.498 0.000 . . . . . . . 367 E C . 53339 1 8 . 1 . 1 367 367 GLU CA C 13 55.409 0.000 . . . . . . . 367 E CA . 53339 1 9 . 1 . 1 367 367 GLU CB C 13 29.224 0.000 . . . . . . . 367 E CB . 53339 1 10 . 1 . 1 367 367 GLU N N 15 123.117 0.005 . . . . . . . 367 E N . 53339 1 11 . 1 . 1 368 368 PRO C C 13 176.402 0.000 . . . . . . . 368 P C . 53339 1 12 . 1 . 1 368 368 PRO CA C 13 63.097 0.000 . . . . . . . 368 P CA . 53339 1 13 . 1 . 1 368 368 PRO CB C 13 31.904 0.000 . . . . . . . 368 P CB . 53339 1 14 . 1 . 1 369 369 LYS H H 1 8.298 0.002 . . . . . . . 369 K HN . 53339 1 15 . 1 . 1 369 369 LYS N N 15 121.695 0.000 . . . . . . . 369 K N . 53339 1 16 . 1 . 1 371 371 ASP C C 13 176.291 0.000 . . . . . . . 371 D C . 53339 1 17 . 1 . 1 371 371 ASP CA C 13 53.896 0.000 . . . . . . . 371 D CA . 53339 1 18 . 1 . 1 371 371 ASP CB C 13 40.814 0.000 . . . . . . . 371 D CB . 53339 1 19 . 1 . 1 371 371 ASP N N 15 121.263 0.000 . . . . . . . 371 D N . 53339 1 20 . 1 . 1 372 372 LYS H H 1 8.157 0.002 . . . . . . . 372 K HN . 53339 1 21 . 1 . 1 372 372 LYS CA C 13 56.372 0.000 . . . . . . . 372 K CA . 53339 1 22 . 1 . 1 372 372 LYS CB C 13 32.762 0.000 . . . . . . . 372 K CB . 53339 1 23 . 1 . 1 372 372 LYS N N 15 122.286 0.026 . . . . . . . 372 K N . 53339 1 24 . 1 . 1 373 373 LYS H H 1 8.368 0.000 . . . . . . . 373 K HN . 53339 1 25 . 1 . 1 373 373 LYS C C 13 176.039 0.000 . . . . . . . 373 K C . 53339 1 26 . 1 . 1 373 373 LYS N N 15 122.439 0.002 . . . . . . . 373 K N . 53339 1 27 . 1 . 1 375 375 LYS C C 13 176.679 0.000 . . . . . . . 375 K C . 53339 1 28 . 1 . 1 375 375 LYS CA C 13 56.328 0.000 . . . . . . . 375 K CA . 53339 1 29 . 1 . 1 375 375 LYS CB C 13 33.283 0.000 . . . . . . . 375 K CB . 53339 1 30 . 1 . 1 375 375 LYS N N 15 123.357 0.003 . . . . . . . 375 K N . 53339 1 31 . 1 . 1 376 376 ALA H H 1 8.293 0.000 . . . . . . . 376 A HN . 53339 1 32 . 1 . 1 376 376 ALA C C 13 177.699 0.000 . . . . . . . 376 A C . 53339 1 33 . 1 . 1 376 376 ALA CA C 13 52.584 0.000 . . . . . . . 376 A CA . 53339 1 34 . 1 . 1 376 376 ALA CB C 13 18.890 0.000 . . . . . . . 376 A CB . 53339 1 35 . 1 . 1 376 376 ALA N N 15 125.688 0.008 . . . . . . . 376 A N . 53339 1 36 . 1 . 1 377 377 ASP H H 1 8.176 0.000 . . . . . . . 377 D HN . 53339 1 37 . 1 . 1 377 377 ASP C C 13 176.687 0.000 . . . . . . . 377 D C . 53339 1 38 . 1 . 1 377 377 ASP CA C 13 54.025 0.000 . . . . . . . 377 D CA . 53339 1 39 . 1 . 1 377 377 ASP CB C 13 40.864 0.000 . . . . . . . 377 D CB . 53339 1 40 . 1 . 1 377 377 ASP N N 15 119.418 0.004 . . . . . . . 377 D N . 53339 1 41 . 1 . 1 378 378 GLU H H 1 8.288 0.000 . . . . . . . 378 E HN . 53339 1 42 . 1 . 1 378 378 GLU C C 13 177.017 0.000 . . . . . . . 378 E C . 53339 1 43 . 1 . 1 378 378 GLU CA C 13 56.280 0.000 . . . . . . . 378 E CA . 53339 1 44 . 1 . 1 378 378 GLU CB C 13 29.824 0.000 . . . . . . . 378 E CB . 53339 1 45 . 1 . 1 378 378 GLU N N 15 121.791 0.004 . . . . . . . 378 E N . 53339 1 46 . 1 . 1 379 379 THR H H 1 8.133 0.000 . . . . . . . 379 T HN . 53339 1 47 . 1 . 1 379 379 THR C C 13 174.818 0.000 . . . . . . . 379 T C . 53339 1 48 . 1 . 1 379 379 THR CA C 13 62.217 0.000 . . . . . . . 379 T CA . 53339 1 49 . 1 . 1 379 379 THR CB C 13 69.597 0.000 . . . . . . . 379 T CB . 53339 1 50 . 1 . 1 379 379 THR N N 15 115.163 0.013 . . . . . . . 379 T N . 53339 1 51 . 1 . 1 380 380 GLN H H 1 8.149 0.001 . . . . . . . 380 Q HN . 53339 1 52 . 1 . 1 380 380 GLN C C 13 175.441 0.000 . . . . . . . 380 Q C . 53339 1 53 . 1 . 1 380 380 GLN CA C 13 55.373 0.000 . . . . . . . 380 Q CA . 53339 1 54 . 1 . 1 380 380 GLN CB C 13 29.393 0.000 . . . . . . . 380 Q CB . 53339 1 55 . 1 . 1 380 380 GLN N N 15 122.454 0.001 . . . . . . . 380 Q N . 53339 1 56 . 1 . 1 381 381 ALA H H 1 8.148 0.001 . . . . . . . 381 A HN . 53339 1 57 . 1 . 1 381 381 ALA C C 13 177.515 0.000 . . . . . . . 381 A C . 53339 1 58 . 1 . 1 381 381 ALA CA C 13 52.334 0.000 . . . . . . . 381 A CA . 53339 1 59 . 1 . 1 381 381 ALA CB C 13 19.095 0.000 . . . . . . . 381 A CB . 53339 1 60 . 1 . 1 381 381 ALA N N 15 125.568 0.000 . . . . . . . 381 A N . 53339 1 61 . 1 . 1 382 382 LEU H H 1 8.136 0.000 . . . . . . . 382 L HN . 53339 1 62 . 1 . 1 382 382 LEU C C 13 175.502 0.000 . . . . . . . 382 L C . 53339 1 63 . 1 . 1 382 382 LEU CA C 13 54.719 0.000 . . . . . . . 382 L CA . 53339 1 64 . 1 . 1 382 382 LEU CB C 13 41.204 0.000 . . . . . . . 382 L CB . 53339 1 65 . 1 . 1 382 382 LEU N N 15 123.073 0.000 . . . . . . . 382 L N . 53339 1 66 . 1 . 1 383 383 PRO C C 13 177.054 0.000 . . . . . . . 383 P C . 53339 1 67 . 1 . 1 383 383 PRO CA C 13 62.990 0.000 . . . . . . . 383 P CA . 53339 1 68 . 1 . 1 383 383 PRO CB C 13 31.933 0.000 . . . . . . . 383 P CB . 53339 1 69 . 1 . 1 384 384 GLN H H 1 8.356 0.001 . . . . . . . 384 Q HN . 53339 1 70 . 1 . 1 384 384 GLN C C 13 176.343 0.000 . . . . . . . 384 Q C . 53339 1 71 . 1 . 1 384 384 GLN CA C 13 55.809 0.000 . . . . . . . 384 Q CA . 53339 1 72 . 1 . 1 384 384 GLN CB C 13 29.447 0.000 . . . . . . . 384 Q CB . 53339 1 73 . 1 . 1 384 384 GLN N N 15 120.579 0.005 . . . . . . . 384 Q N . 53339 1 74 . 1 . 1 385 385 ARG H H 1 8.260 0.000 . . . . . . . 385 R HN . 53339 1 75 . 1 . 1 385 385 ARG C C 13 176.425 0.000 . . . . . . . 385 R C . 53339 1 76 . 1 . 1 385 385 ARG CA C 13 55.972 0.000 . . . . . . . 385 R CA . 53339 1 77 . 1 . 1 385 385 ARG CB C 13 30.466 0.000 . . . . . . . 385 R CB . 53339 1 78 . 1 . 1 385 385 ARG N N 15 122.328 0.004 . . . . . . . 385 R N . 53339 1 79 . 1 . 1 386 386 GLN H H 1 8.290 0.000 . . . . . . . 386 Q HN . 53339 1 80 . 1 . 1 386 386 GLN C C 13 175.914 0.000 . . . . . . . 386 Q C . 53339 1 81 . 1 . 1 386 386 GLN CA C 13 55.630 0.000 . . . . . . . 386 Q CA . 53339 1 82 . 1 . 1 386 386 GLN CB C 13 29.244 0.000 . . . . . . . 386 Q CB . 53339 1 83 . 1 . 1 386 386 GLN N N 15 121.647 0.003 . . . . . . . 386 Q N . 53339 1 84 . 1 . 1 387 387 LYS H H 1 8.397 0.000 . . . . . . . 387 K HN . 53339 1 85 . 1 . 1 387 387 LYS N N 15 122.469 0.002 . . . . . . . 387 K N . 53339 1 86 . 1 . 1 388 388 LYS C C 13 176.646 0.000 . . . . . . . 388 K C . 53339 1 87 . 1 . 1 388 388 LYS CA C 13 56.134 0.000 . . . . . . . 388 K CA . 53339 1 88 . 1 . 1 388 388 LYS CB C 13 32.985 0.000 . . . . . . . 388 K CB . 53339 1 89 . 1 . 1 388 388 LYS N N 15 123.117 0.002 . . . . . . . 388 K N . 53339 1 90 . 1 . 1 389 389 GLN H H 1 8.346 0.002 . . . . . . . 389 Q HN . 53339 1 91 . 1 . 1 389 389 GLN C C 13 176.107 0.000 . . . . . . . 389 Q C . 53339 1 92 . 1 . 1 389 389 GLN CA C 13 55.689 0.000 . . . . . . . 389 Q CA . 53339 1 93 . 1 . 1 389 389 GLN CB C 13 29.190 0.000 . . . . . . . 389 Q CB . 53339 1 94 . 1 . 1 389 389 GLN N N 15 122.284 0.001 . . . . . . . 389 Q N . 53339 1 95 . 1 . 1 390 390 GLN H H 1 8.390 0.000 . . . . . . . 390 Q HN . 53339 1 96 . 1 . 1 390 390 GLN C C 13 176.343 0.000 . . . . . . . 390 Q C . 53339 1 97 . 1 . 1 390 390 GLN CA C 13 55.489 0.000 . . . . . . . 390 Q CA . 53339 1 98 . 1 . 1 390 390 GLN CB C 13 29.464 0.000 . . . . . . . 390 Q CB . 53339 1 99 . 1 . 1 390 390 GLN N N 15 121.882 0.007 . . . . . . . 390 Q N . 53339 1 100 . 1 . 1 391 391 THR H H 1 8.185 0.000 . . . . . . . 391 T HN . 53339 1 101 . 1 . 1 391 391 THR C C 13 174.562 0.000 . . . . . . . 391 T C . 53339 1 102 . 1 . 1 391 391 THR CA C 13 61.999 0.000 . . . . . . . 391 T CA . 53339 1 103 . 1 . 1 391 391 THR CB C 13 69.698 0.000 . . . . . . . 391 T CB . 53339 1 104 . 1 . 1 391 391 THR N N 15 116.851 0.001 . . . . . . . 391 T N . 53339 1 105 . 1 . 1 392 392 VAL H H 1 8.170 0.001 . . . . . . . 392 V HN . 53339 1 106 . 1 . 1 392 392 VAL C C 13 174.844 0.000 . . . . . . . 392 V C . 53339 1 107 . 1 . 1 392 392 VAL CA C 13 62.058 0.000 . . . . . . . 392 V CA . 53339 1 108 . 1 . 1 392 392 VAL CB C 13 30.462 0.000 . . . . . . . 392 V CB . 53339 1 109 . 1 . 1 392 392 VAL N N 15 123.578 0.001 . . . . . . . 392 V N . 53339 1 110 . 1 . 1 393 393 THR H H 1 8.250 0.001 . . . . . . . 393 T HN . 53339 1 111 . 1 . 1 393 393 THR C C 13 174.007 0.000 . . . . . . . 393 T C . 53339 1 112 . 1 . 1 393 393 THR CA C 13 62.950 0.000 . . . . . . . 393 T CA . 53339 1 113 . 1 . 1 393 393 THR CB C 13 69.604 0.000 . . . . . . . 393 T CB . 53339 1 114 . 1 . 1 393 393 THR N N 15 117.594 0.004 . . . . . . . 393 T N . 53339 1 115 . 1 . 1 394 394 LEU H H 1 8.228 0.001 . . . . . . . 394 L HN . 53339 1 116 . 1 . 1 394 394 LEU C C 13 176.780 0.000 . . . . . . . 394 L C . 53339 1 117 . 1 . 1 394 394 LEU CA C 13 54.600 0.000 . . . . . . . 394 L CA . 53339 1 118 . 1 . 1 394 394 LEU CB C 13 42.241 0.000 . . . . . . . 394 L CB . 53339 1 119 . 1 . 1 394 394 LEU N N 15 126.151 0.010 . . . . . . . 394 L N . 53339 1 120 . 1 . 1 395 395 LEU H H 1 8.140 0.000 . . . . . . . 395 L HN . 53339 1 121 . 1 . 1 395 395 LEU C C 13 175.350 0.000 . . . . . . . 395 L C . 53339 1 122 . 1 . 1 395 395 LEU CA C 13 52.649 0.000 . . . . . . . 395 L CA . 53339 1 123 . 1 . 1 395 395 LEU CB C 13 41.494 0.000 . . . . . . . 395 L CB . 53339 1 124 . 1 . 1 395 395 LEU N N 15 125.072 0.002 . . . . . . . 395 L N . 53339 1 125 . 1 . 1 396 396 PRO C C 13 176.703 0.000 . . . . . . . 396 P C . 53339 1 126 . 1 . 1 396 396 PRO CA C 13 62.527 0.000 . . . . . . . 396 P CA . 53339 1 127 . 1 . 1 396 396 PRO CB C 13 31.769 0.000 . . . . . . . 396 P CB . 53339 1 128 . 1 . 1 397 397 ALA H H 1 8.239 0.001 . . . . . . . 397 A HN . 53339 1 129 . 1 . 1 397 397 ALA C C 13 177.736 0.000 . . . . . . . 397 A C . 53339 1 130 . 1 . 1 397 397 ALA CA C 13 52.390 0.000 . . . . . . . 397 A CA . 53339 1 131 . 1 . 1 397 397 ALA CB C 13 19.029 0.000 . . . . . . . 397 A CB . 53339 1 132 . 1 . 1 397 397 ALA N N 15 124.620 0.006 . . . . . . . 397 A N . 53339 1 133 . 1 . 1 398 398 ALA H H 1 8.179 0.000 . . . . . . . 398 A HN . 53339 1 134 . 1 . 1 398 398 ALA C C 13 177.582 0.000 . . . . . . . 398 A C . 53339 1 135 . 1 . 1 398 398 ALA CA C 13 52.364 0.000 . . . . . . . 398 A CA . 53339 1 136 . 1 . 1 398 398 ALA CB C 13 19.229 0.000 . . . . . . . 398 A CB . 53339 1 137 . 1 . 1 398 398 ALA N N 15 123.145 0.002 . . . . . . . 398 A N . 53339 1 138 . 1 . 1 399 399 ASP H H 1 8.128 0.000 . . . . . . . 399 D HN . 53339 1 139 . 1 . 1 399 399 ASP C C 13 176.375 0.000 . . . . . . . 399 D C . 53339 1 140 . 1 . 1 399 399 ASP CA C 13 53.990 0.000 . . . . . . . 399 D CA . 53339 1 141 . 1 . 1 399 399 ASP CB C 13 41.034 0.000 . . . . . . . 399 D CB . 53339 1 142 . 1 . 1 399 399 ASP N N 15 119.185 0.003 . . . . . . . 399 D N . 53339 1 143 . 1 . 1 400 400 LEU H H 1 7.955 0.000 . . . . . . . 400 L HN . 53339 1 144 . 1 . 1 400 400 LEU C C 13 177.473 0.000 . . . . . . . 400 L C . 53339 1 145 . 1 . 1 400 400 LEU CA C 13 55.391 0.000 . . . . . . . 400 L CA . 53339 1 146 . 1 . 1 400 400 LEU CB C 13 42.220 0.000 . . . . . . . 400 L CB . 53339 1 147 . 1 . 1 400 400 LEU N N 15 122.271 0.011 . . . . . . . 400 L N . 53339 1 148 . 1 . 1 401 401 ASP H H 1 8.131 0.006 . . . . . . . 401 D HN . 53339 1 149 . 1 . 1 401 401 ASP C C 13 176.064 0.000 . . . . . . . 401 D C . 53339 1 150 . 1 . 1 401 401 ASP CA C 13 53.979 0.000 . . . . . . . 401 D CA . 53339 1 151 . 1 . 1 401 401 ASP CB C 13 40.518 0.000 . . . . . . . 401 D CB . 53339 1 152 . 1 . 1 401 401 ASP N N 15 120.735 0.001 . . . . . . . 401 D N . 53339 1 153 . 1 . 1 402 402 ASP H H 1 8.021 0.001 . . . . . . . 402 D HN . 53339 1 154 . 1 . 1 402 402 ASP C C 13 177.034 0.000 . . . . . . . 402 D C . 53339 1 155 . 1 . 1 402 402 ASP CA C 13 54.355 0.000 . . . . . . . 402 D CA . 53339 1 156 . 1 . 1 402 402 ASP CB C 13 40.708 0.000 . . . . . . . 402 D CB . 53339 1 157 . 1 . 1 402 402 ASP N N 15 120.204 0.008 . . . . . . . 402 D N . 53339 1 158 . 1 . 1 403 403 PHE H H 1 8.175 0.001 . . . . . . . 403 F HN . 53339 1 159 . 1 . 1 403 403 PHE N N 15 121.310 0.000 . . . . . . . 403 F N . 53339 1 160 . 1 . 1 404 404 SER C C 13 174.863 0.000 . . . . . . . 404 S C . 53339 1 161 . 1 . 1 404 404 SER N N 15 117.489 0.016 . . . . . . . 404 S N . 53339 1 162 . 1 . 1 405 405 LYS C C 13 177.435 0.000 . . . . . . . 405 K C . 53339 1 163 . 1 . 1 405 405 LYS CA C 13 56.089 0.000 . . . . . . . 405 K CA . 53339 1 164 . 1 . 1 405 405 LYS CB C 13 32.813 0.000 . . . . . . . 405 K CB . 53339 1 165 . 1 . 1 405 405 LYS N N 15 123.078 0.000 . . . . . . . 405 K N . 53339 1 166 . 1 . 1 406 406 GLN H H 1 7.946 0.000 . . . . . . . 406 Q HN . 53339 1 167 . 1 . 1 406 406 GLN C C 13 176.986 0.000 . . . . . . . 406 Q C . 53339 1 168 . 1 . 1 406 406 GLN CA C 13 56.453 0.000 . . . . . . . 406 Q CA . 53339 1 169 . 1 . 1 406 406 GLN CB C 13 28.681 0.000 . . . . . . . 406 Q CB . 53339 1 170 . 1 . 1 406 406 GLN N N 15 119.771 0.000 . . . . . . . 406 Q N . 53339 1 171 . 1 . 1 407 407 LEU H H 1 7.953 0.001 . . . . . . . 407 L HN . 53339 1 172 . 1 . 1 407 407 LEU C C 13 177.435 0.000 . . . . . . . 407 L C . 53339 1 173 . 1 . 1 407 407 LEU CA C 13 55.269 0.000 . . . . . . . 407 L CA . 53339 1 174 . 1 . 1 407 407 LEU CB C 13 42.240 0.000 . . . . . . . 407 L CB . 53339 1 175 . 1 . 1 407 407 LEU N N 15 122.452 0.004 . . . . . . . 407 L N . 53339 1 176 . 1 . 1 408 408 GLN H H 1 8.122 0.000 . . . . . . . 408 Q HN . 53339 1 177 . 1 . 1 408 408 GLN C C 13 174.399 0.000 . . . . . . . 408 Q C . 53339 1 178 . 1 . 1 408 408 GLN CA C 13 56.137 0.000 . . . . . . . 408 Q CA . 53339 1 179 . 1 . 1 408 408 GLN CB C 13 29.464 0.000 . . . . . . . 408 Q CB . 53339 1 180 . 1 . 1 408 408 GLN N N 15 120.663 0.004 . . . . . . . 408 Q N . 53339 1 181 . 1 . 1 409 409 GLN H H 1 8.172 0.002 . . . . . . . 409 Q HN . 53339 1 182 . 1 . 1 409 409 GLN C C 13 176.654 0.000 . . . . . . . 409 Q C . 53339 1 183 . 1 . 1 409 409 GLN CA C 13 55.891 0.000 . . . . . . . 409 Q CA . 53339 1 184 . 1 . 1 409 409 GLN CB C 13 30.400 0.000 . . . . . . . 409 Q CB . 53339 1 185 . 1 . 1 409 409 GLN N N 15 120.649 0.011 . . . . . . . 409 Q N . 53339 1 186 . 1 . 1 410 410 SER H H 1 8.215 0.000 . . . . . . . 410 S HN . 53339 1 187 . 1 . 1 410 410 SER C C 13 174.996 0.000 . . . . . . . 410 S C . 53339 1 188 . 1 . 1 410 410 SER CA C 13 58.561 0.000 . . . . . . . 410 S CA . 53339 1 189 . 1 . 1 410 410 SER CB C 13 63.627 0.000 . . . . . . . 410 S CB . 53339 1 190 . 1 . 1 410 410 SER N N 15 116.853 0.001 . . . . . . . 410 S N . 53339 1 191 . 1 . 1 411 411 MET H H 1 8.179 0.001 . . . . . . . 411 M HN . 53339 1 192 . 1 . 1 411 411 MET C C 13 176.600 0.000 . . . . . . . 411 M C . 53339 1 193 . 1 . 1 411 411 MET CA C 13 55.892 0.000 . . . . . . . 411 M CA . 53339 1 194 . 1 . 1 411 411 MET CB C 13 32.567 0.000 . . . . . . . 411 M CB . 53339 1 195 . 1 . 1 411 411 MET N N 15 121.994 0.004 . . . . . . . 411 M N . 53339 1 196 . 1 . 1 412 412 SER H H 1 8.165 0.000 . . . . . . . 412 S HN . 53339 1 197 . 1 . 1 412 412 SER C C 13 174.797 0.000 . . . . . . . 412 S C . 53339 1 198 . 1 . 1 412 412 SER CA C 13 58.270 0.000 . . . . . . . 412 S CA . 53339 1 199 . 1 . 1 412 412 SER CB C 13 63.474 0.000 . . . . . . . 412 S CB . 53339 1 200 . 1 . 1 412 412 SER N N 15 116.610 0.008 . . . . . . . 412 S N . 53339 1 201 . 1 . 1 413 413 SER H H 1 8.341 0.000 . . . . . . . 413 S HN . 53339 1 202 . 1 . 1 413 413 SER C C 13 174.649 0.000 . . . . . . . 413 S C . 53339 1 203 . 1 . 1 413 413 SER CA C 13 58.379 0.000 . . . . . . . 413 S CA . 53339 1 204 . 1 . 1 413 413 SER CB C 13 63.676 0.000 . . . . . . . 413 S CB . 53339 1 205 . 1 . 1 413 413 SER N N 15 118.081 0.003 . . . . . . . 413 S N . 53339 1 206 . 1 . 1 414 414 ALA H H 1 8.184 0.001 . . . . . . . 414 A HN . 53339 1 207 . 1 . 1 414 414 ALA C C 13 177.684 0.000 . . . . . . . 414 A C . 53339 1 208 . 1 . 1 414 414 ALA CA C 13 52.475 0.000 . . . . . . . 414 A CA . 53339 1 209 . 1 . 1 414 414 ALA CB C 13 19.129 0.000 . . . . . . . 414 A CB . 53339 1 210 . 1 . 1 414 414 ALA N N 15 125.808 0.001 . . . . . . . 414 A N . 53339 1 211 . 1 . 1 415 415 ASP H H 1 8.078 0.000 . . . . . . . 415 D HN . 53339 1 212 . 1 . 1 415 415 ASP C C 13 176.669 0.000 . . . . . . . 415 D C . 53339 1 213 . 1 . 1 415 415 ASP CA C 13 54.071 0.000 . . . . . . . 415 D CA . 53339 1 214 . 1 . 1 415 415 ASP CB C 13 40.905 0.000 . . . . . . . 415 D CB . 53339 1 215 . 1 . 1 415 415 ASP N N 15 119.058 0.001 . . . . . . . 415 D N . 53339 1 216 . 1 . 1 416 416 SER H H 1 8.124 0.000 . . . . . . . 416 S HN . 53339 1 217 . 1 . 1 416 416 SER C C 13 175.059 0.000 . . . . . . . 416 S C . 53339 1 218 . 1 . 1 416 416 SER CA C 13 58.406 0.000 . . . . . . . 416 S CA . 53339 1 219 . 1 . 1 416 416 SER CB C 13 63.504 0.000 . . . . . . . 416 S CB . 53339 1 220 . 1 . 1 416 416 SER N N 15 116.643 0.003 . . . . . . . 416 S N . 53339 1 221 . 1 . 1 417 417 THR H H 1 8.124 0.000 . . . . . . . 417 T HN . 53339 1 222 . 1 . 1 417 417 THR C C 13 174.603 0.000 . . . . . . . 417 T C . 53339 1 223 . 1 . 1 417 417 THR CA C 13 62.031 0.000 . . . . . . . 417 T CA . 53339 1 224 . 1 . 1 417 417 THR CB C 13 69.547 0.000 . . . . . . . 417 T CB . 53339 1 225 . 1 . 1 417 417 THR N N 15 115.819 0.002 . . . . . . . 417 T N . 53339 1 226 . 1 . 1 418 418 GLN H H 1 8.108 0.002 . . . . . . . 418 Q HN . 53339 1 227 . 1 . 1 418 418 GLN C C 13 174.713 0.000 . . . . . . . 418 Q C . 53339 1 228 . 1 . 1 418 418 GLN CA C 13 55.578 0.000 . . . . . . . 418 Q CA . 53339 1 229 . 1 . 1 418 418 GLN CB C 13 29.319 0.075 . . . . . . . 418 Q CB . 53339 1 230 . 1 . 1 418 418 GLN N N 15 123.026 0.005 . . . . . . . 418 Q N . 53339 1 231 . 1 . 1 419 419 ALA H H 1 7.954 0.080 . . . . . . . 419 A HN . 53339 1 232 . 1 . 1 419 419 ALA CA C 13 52.669 0.000 . . . . . . . 419 A CA . 53339 1 233 . 1 . 1 419 419 ALA CB C 13 19.620 0.000 . . . . . . . 419 A CB . 53339 1 234 . 1 . 1 419 419 ALA N N 15 131.738 0.019 . . . . . . . 419 A N . 53339 1 stop_ save_