data_52394 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52394 _Entry.Title ; 1H, 13C, and 15N Amide Backbone Chemical Shift Assignments for Lcl-CTD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-13 _Entry.Accession_date 2024-04-13 _Entry.Last_release_date 2024-04-15 _Entry.Original_release_date 2024-04-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Theo Portlock . . . . 52394 2 James Garnett . A. . 0000-0001-7621-8223 52394 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52394 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 253 52394 '15N chemical shifts' 92 52394 '1H chemical shifts' 92 52394 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 . . 2024-04-23 . original BMRB . 52394 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52395 'Assignments for Lcl collagen-like repeat (CLR) peptide.' 52394 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52394 _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 ; The Legionella collagen-like protein employs a distinct binding mechanism for the recognition of host glycosaminoglycans ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nature Communications' _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 James Garnett . A. . . 52394 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52394 _Assembly.ID 1 _Assembly.Name 'Lcl C-terminal domain' _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 yes _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 'Lcl C-terminal domain' 1 $entity_1 . . yes native yes no . . . 52394 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52394 _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 ; KSNPASQAYVDGKVSELKNE LTNKINSIPSGPQGPRGDKG EAGPKGDRGEAGPQGLPGPK GDRGEAGPQGLPGPKGDRGE AGPQGLPGPKGDRGEAGPQG LPGPKGDRGEAGPQGLPGPQ GLPGPKGDKGEAGPQGLPGP KGDKGEAGPQGLPGPKGDKG EAGAVGPQGMPGPKGDKGEA GPQGLPGPKGDRGEAGPQGL PGPKGDRGEAGPQGLPGPKG DKGETGAVGPQGMPGPKGEA GDDGQGVPAGGETGQVLAKS NDLDFNTMWVDPANSGIRRQ LGDKALGGTVIYVNALGTHG LVVANSDQVNSNTWWDAQDS ITNPAHFDNEGKLYSDWRLP TRFELNLIYMMRNELGNFLA GNYWSSIEKSSANSWVFNSK TGEIKDIAKSKTAAVRAVRA F ; _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 401 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _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 . LYS . 52394 1 2 . SER . 52394 1 3 . ASN . 52394 1 4 . PRO . 52394 1 5 . ALA . 52394 1 6 . SER . 52394 1 7 . GLN . 52394 1 8 . ALA . 52394 1 9 . TYR . 52394 1 10 . VAL . 52394 1 11 . ASP . 52394 1 12 . GLY . 52394 1 13 . LYS . 52394 1 14 . VAL . 52394 1 15 . SER . 52394 1 16 . GLU . 52394 1 17 . LEU . 52394 1 18 . LYS . 52394 1 19 . ASN . 52394 1 20 . GLU . 52394 1 21 . LEU . 52394 1 22 . THR . 52394 1 23 . ASN . 52394 1 24 . LYS . 52394 1 25 . ILE . 52394 1 26 . ASN . 52394 1 27 . SER . 52394 1 28 . ILE . 52394 1 29 . PRO . 52394 1 30 . SER . 52394 1 31 . GLY . 52394 1 32 . PRO . 52394 1 33 . GLN . 52394 1 34 . GLY . 52394 1 35 . PRO . 52394 1 36 . ARG . 52394 1 37 . GLY . 52394 1 38 . ASP . 52394 1 39 . LYS . 52394 1 40 . GLY . 52394 1 41 . GLU . 52394 1 42 . ALA . 52394 1 43 . GLY . 52394 1 44 . PRO . 52394 1 45 . LYS . 52394 1 46 . GLY . 52394 1 47 . ASP . 52394 1 48 . ARG . 52394 1 49 . GLY . 52394 1 50 . GLU . 52394 1 51 . ALA . 52394 1 52 . GLY . 52394 1 53 . PRO . 52394 1 54 . GLN . 52394 1 55 . GLY . 52394 1 56 . LEU . 52394 1 57 . PRO . 52394 1 58 . GLY . 52394 1 59 . PRO . 52394 1 60 . LYS . 52394 1 61 . GLY . 52394 1 62 . ASP . 52394 1 63 . ARG . 52394 1 64 . GLY . 52394 1 65 . GLU . 52394 1 66 . ALA . 52394 1 67 . GLY . 52394 1 68 . PRO . 52394 1 69 . GLN . 52394 1 70 . GLY . 52394 1 71 . LEU . 52394 1 72 . PRO . 52394 1 73 . GLY . 52394 1 74 . PRO . 52394 1 75 . LYS . 52394 1 76 . GLY . 52394 1 77 . ASP . 52394 1 78 . ARG . 52394 1 79 . GLY . 52394 1 80 . GLU . 52394 1 81 . ALA . 52394 1 82 . GLY . 52394 1 83 . PRO . 52394 1 84 . GLN . 52394 1 85 . GLY . 52394 1 86 . LEU . 52394 1 87 . PRO . 52394 1 88 . GLY . 52394 1 89 . PRO . 52394 1 90 . LYS . 52394 1 91 . GLY . 52394 1 92 . ASP . 52394 1 93 . ARG . 52394 1 94 . GLY . 52394 1 95 . GLU . 52394 1 96 . ALA . 52394 1 97 . GLY . 52394 1 98 . PRO . 52394 1 99 . GLN . 52394 1 100 . GLY . 52394 1 101 . LEU . 52394 1 102 . PRO . 52394 1 103 . GLY . 52394 1 104 . PRO . 52394 1 105 . LYS . 52394 1 106 . GLY . 52394 1 107 . ASP . 52394 1 108 . ARG . 52394 1 109 . GLY . 52394 1 110 . GLU . 52394 1 111 . ALA . 52394 1 112 . GLY . 52394 1 113 . PRO . 52394 1 114 . GLN . 52394 1 115 . GLY . 52394 1 116 . LEU . 52394 1 117 . PRO . 52394 1 118 . GLY . 52394 1 119 . PRO . 52394 1 120 . GLN . 52394 1 121 . GLY . 52394 1 122 . LEU . 52394 1 123 . PRO . 52394 1 124 . GLY . 52394 1 125 . PRO . 52394 1 126 . LYS . 52394 1 127 . GLY . 52394 1 128 . ASP . 52394 1 129 . LYS . 52394 1 130 . GLY . 52394 1 131 . GLU . 52394 1 132 . ALA . 52394 1 133 . GLY . 52394 1 134 . PRO . 52394 1 135 . GLN . 52394 1 136 . GLY . 52394 1 137 . LEU . 52394 1 138 . PRO . 52394 1 139 . GLY . 52394 1 140 . PRO . 52394 1 141 . LYS . 52394 1 142 . GLY . 52394 1 143 . ASP . 52394 1 144 . LYS . 52394 1 145 . GLY . 52394 1 146 . GLU . 52394 1 147 . ALA . 52394 1 148 . GLY . 52394 1 149 . PRO . 52394 1 150 . GLN . 52394 1 151 . GLY . 52394 1 152 . LEU . 52394 1 153 . PRO . 52394 1 154 . GLY . 52394 1 155 . PRO . 52394 1 156 . LYS . 52394 1 157 . GLY . 52394 1 158 . ASP . 52394 1 159 . LYS . 52394 1 160 . GLY . 52394 1 161 . GLU . 52394 1 162 . ALA . 52394 1 163 . GLY . 52394 1 164 . ALA . 52394 1 165 . VAL . 52394 1 166 . GLY . 52394 1 167 . PRO . 52394 1 168 . GLN . 52394 1 169 . GLY . 52394 1 170 . MET . 52394 1 171 . PRO . 52394 1 172 . GLY . 52394 1 173 . PRO . 52394 1 174 . LYS . 52394 1 175 . GLY . 52394 1 176 . ASP . 52394 1 177 . LYS . 52394 1 178 . GLY . 52394 1 179 . GLU . 52394 1 180 . ALA . 52394 1 181 . GLY . 52394 1 182 . PRO . 52394 1 183 . GLN . 52394 1 184 . GLY . 52394 1 185 . LEU . 52394 1 186 . PRO . 52394 1 187 . GLY . 52394 1 188 . PRO . 52394 1 189 . LYS . 52394 1 190 . GLY . 52394 1 191 . ASP . 52394 1 192 . ARG . 52394 1 193 . GLY . 52394 1 194 . GLU . 52394 1 195 . ALA . 52394 1 196 . GLY . 52394 1 197 . PRO . 52394 1 198 . GLN . 52394 1 199 . GLY . 52394 1 200 . LEU . 52394 1 201 . PRO . 52394 1 202 . GLY . 52394 1 203 . PRO . 52394 1 204 . LYS . 52394 1 205 . GLY . 52394 1 206 . ASP . 52394 1 207 . ARG . 52394 1 208 . GLY . 52394 1 209 . GLU . 52394 1 210 . ALA . 52394 1 211 . GLY . 52394 1 212 . PRO . 52394 1 213 . GLN . 52394 1 214 . GLY . 52394 1 215 . LEU . 52394 1 216 . PRO . 52394 1 217 . GLY . 52394 1 218 . PRO . 52394 1 219 . LYS . 52394 1 220 . GLY . 52394 1 221 . ASP . 52394 1 222 . LYS . 52394 1 223 . GLY . 52394 1 224 . GLU . 52394 1 225 . THR . 52394 1 226 . GLY . 52394 1 227 . ALA . 52394 1 228 . VAL . 52394 1 229 . GLY . 52394 1 230 . PRO . 52394 1 231 . GLN . 52394 1 232 . GLY . 52394 1 233 . MET . 52394 1 234 . PRO . 52394 1 235 . GLY . 52394 1 236 . PRO . 52394 1 237 . LYS . 52394 1 238 . GLY . 52394 1 239 . GLU . 52394 1 240 . ALA . 52394 1 241 . GLY . 52394 1 242 . ASP . 52394 1 243 . ASP . 52394 1 244 . GLY . 52394 1 245 . GLN . 52394 1 246 . GLY . 52394 1 247 . VAL . 52394 1 248 . PRO . 52394 1 249 . ALA . 52394 1 250 . GLY . 52394 1 251 . GLY . 52394 1 252 . GLU . 52394 1 253 . THR . 52394 1 254 . GLY . 52394 1 255 . GLN . 52394 1 256 . VAL . 52394 1 257 . LEU . 52394 1 258 . ALA . 52394 1 259 . LYS . 52394 1 260 . SER . 52394 1 261 . ASN . 52394 1 262 . ASP . 52394 1 263 . LEU . 52394 1 264 . ASP . 52394 1 265 . PHE . 52394 1 266 . ASN . 52394 1 267 . THR . 52394 1 268 . MET . 52394 1 269 . TRP . 52394 1 270 . VAL . 52394 1 271 . ASP . 52394 1 272 . PRO . 52394 1 273 . ALA . 52394 1 274 . ASN . 52394 1 275 . SER . 52394 1 276 . GLY . 52394 1 277 . ILE . 52394 1 278 . ARG . 52394 1 279 . ARG . 52394 1 280 . GLN . 52394 1 281 . LEU . 52394 1 282 . GLY . 52394 1 283 . ASP . 52394 1 284 . LYS . 52394 1 285 . ALA . 52394 1 286 . LEU . 52394 1 287 . GLY . 52394 1 288 . GLY . 52394 1 289 . THR . 52394 1 290 . VAL . 52394 1 291 . ILE . 52394 1 292 . TYR . 52394 1 293 . VAL . 52394 1 294 . ASN . 52394 1 295 . ALA . 52394 1 296 . LEU . 52394 1 297 . GLY . 52394 1 298 . THR . 52394 1 299 . HIS . 52394 1 300 . GLY . 52394 1 301 . LEU . 52394 1 302 . VAL . 52394 1 303 . VAL . 52394 1 304 . ALA . 52394 1 305 . ASN . 52394 1 306 . SER . 52394 1 307 . ASP . 52394 1 308 . GLN . 52394 1 309 . VAL . 52394 1 310 . ASN . 52394 1 311 . SER . 52394 1 312 . ASN . 52394 1 313 . THR . 52394 1 314 . TRP . 52394 1 315 . TRP . 52394 1 316 . ASP . 52394 1 317 . ALA . 52394 1 318 . GLN . 52394 1 319 . ASP . 52394 1 320 . SER . 52394 1 321 . ILE . 52394 1 322 . THR . 52394 1 323 . ASN . 52394 1 324 . PRO . 52394 1 325 . ALA . 52394 1 326 . HIS . 52394 1 327 . PHE . 52394 1 328 . ASP . 52394 1 329 . ASN . 52394 1 330 . GLU . 52394 1 331 . GLY . 52394 1 332 . LYS . 52394 1 333 . LEU . 52394 1 334 . TYR . 52394 1 335 . SER . 52394 1 336 . ASP . 52394 1 337 . TRP . 52394 1 338 . ARG . 52394 1 339 . LEU . 52394 1 340 . PRO . 52394 1 341 . THR . 52394 1 342 . ARG . 52394 1 343 . PHE . 52394 1 344 . GLU . 52394 1 345 . LEU . 52394 1 346 . ASN . 52394 1 347 . LEU . 52394 1 348 . ILE . 52394 1 349 . TYR . 52394 1 350 . MET . 52394 1 351 . MET . 52394 1 352 . ARG . 52394 1 353 . ASN . 52394 1 354 . GLU . 52394 1 355 . LEU . 52394 1 356 . GLY . 52394 1 357 . ASN . 52394 1 358 . PHE . 52394 1 359 . LEU . 52394 1 360 . ALA . 52394 1 361 . GLY . 52394 1 362 . ASN . 52394 1 363 . TYR . 52394 1 364 . TRP . 52394 1 365 . SER . 52394 1 366 . SER . 52394 1 367 . ILE . 52394 1 368 . GLU . 52394 1 369 . LYS . 52394 1 370 . SER . 52394 1 371 . SER . 52394 1 372 . ALA . 52394 1 373 . ASN . 52394 1 374 . SER . 52394 1 375 . TRP . 52394 1 376 . VAL . 52394 1 377 . PHE . 52394 1 378 . ASN . 52394 1 379 . SER . 52394 1 380 . LYS . 52394 1 381 . THR . 52394 1 382 . GLY . 52394 1 383 . GLU . 52394 1 384 . ILE . 52394 1 385 . LYS . 52394 1 386 . ASP . 52394 1 387 . ILE . 52394 1 388 . ALA . 52394 1 389 . LYS . 52394 1 390 . SER . 52394 1 391 . LYS . 52394 1 392 . THR . 52394 1 393 . ALA . 52394 1 394 . ALA . 52394 1 395 . VAL . 52394 1 396 . ARG . 52394 1 397 . ALA . 52394 1 398 . VAL . 52394 1 399 . ARG . 52394 1 400 . ALA . 52394 1 401 . PHE . 52394 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LYS 1 1 52394 1 . SER 2 2 52394 1 . ASN 3 3 52394 1 . PRO 4 4 52394 1 . ALA 5 5 52394 1 . SER 6 6 52394 1 . GLN 7 7 52394 1 . ALA 8 8 52394 1 . TYR 9 9 52394 1 . VAL 10 10 52394 1 . ASP 11 11 52394 1 . GLY 12 12 52394 1 . LYS 13 13 52394 1 . VAL 14 14 52394 1 . SER 15 15 52394 1 . GLU 16 16 52394 1 . LEU 17 17 52394 1 . LYS 18 18 52394 1 . ASN 19 19 52394 1 . GLU 20 20 52394 1 . LEU 21 21 52394 1 . THR 22 22 52394 1 . ASN 23 23 52394 1 . LYS 24 24 52394 1 . ILE 25 25 52394 1 . ASN 26 26 52394 1 . SER 27 27 52394 1 . ILE 28 28 52394 1 . PRO 29 29 52394 1 . SER 30 30 52394 1 . GLY 31 31 52394 1 . PRO 32 32 52394 1 . GLN 33 33 52394 1 . GLY 34 34 52394 1 . PRO 35 35 52394 1 . ARG 36 36 52394 1 . GLY 37 37 52394 1 . ASP 38 38 52394 1 . LYS 39 39 52394 1 . GLY 40 40 52394 1 . GLU 41 41 52394 1 . ALA 42 42 52394 1 . GLY 43 43 52394 1 . PRO 44 44 52394 1 . LYS 45 45 52394 1 . GLY 46 46 52394 1 . ASP 47 47 52394 1 . ARG 48 48 52394 1 . GLY 49 49 52394 1 . GLU 50 50 52394 1 . ALA 51 51 52394 1 . GLY 52 52 52394 1 . PRO 53 53 52394 1 . GLN 54 54 52394 1 . GLY 55 55 52394 1 . LEU 56 56 52394 1 . PRO 57 57 52394 1 . GLY 58 58 52394 1 . PRO 59 59 52394 1 . LYS 60 60 52394 1 . GLY 61 61 52394 1 . ASP 62 62 52394 1 . ARG 63 63 52394 1 . GLY 64 64 52394 1 . GLU 65 65 52394 1 . ALA 66 66 52394 1 . GLY 67 67 52394 1 . PRO 68 68 52394 1 . GLN 69 69 52394 1 . GLY 70 70 52394 1 . LEU 71 71 52394 1 . PRO 72 72 52394 1 . GLY 73 73 52394 1 . PRO 74 74 52394 1 . LYS 75 75 52394 1 . GLY 76 76 52394 1 . ASP 77 77 52394 1 . ARG 78 78 52394 1 . GLY 79 79 52394 1 . GLU 80 80 52394 1 . ALA 81 81 52394 1 . GLY 82 82 52394 1 . PRO 83 83 52394 1 . GLN 84 84 52394 1 . GLY 85 85 52394 1 . LEU 86 86 52394 1 . PRO 87 87 52394 1 . GLY 88 88 52394 1 . PRO 89 89 52394 1 . LYS 90 90 52394 1 . GLY 91 91 52394 1 . ASP 92 92 52394 1 . ARG 93 93 52394 1 . GLY 94 94 52394 1 . GLU 95 95 52394 1 . ALA 96 96 52394 1 . GLY 97 97 52394 1 . PRO 98 98 52394 1 . GLN 99 99 52394 1 . GLY 100 100 52394 1 . LEU 101 101 52394 1 . PRO 102 102 52394 1 . GLY 103 103 52394 1 . PRO 104 104 52394 1 . LYS 105 105 52394 1 . GLY 106 106 52394 1 . ASP 107 107 52394 1 . ARG 108 108 52394 1 . GLY 109 109 52394 1 . GLU 110 110 52394 1 . ALA 111 111 52394 1 . GLY 112 112 52394 1 . PRO 113 113 52394 1 . GLN 114 114 52394 1 . GLY 115 115 52394 1 . LEU 116 116 52394 1 . PRO 117 117 52394 1 . GLY 118 118 52394 1 . PRO 119 119 52394 1 . GLN 120 120 52394 1 . GLY 121 121 52394 1 . LEU 122 122 52394 1 . PRO 123 123 52394 1 . GLY 124 124 52394 1 . PRO 125 125 52394 1 . LYS 126 126 52394 1 . GLY 127 127 52394 1 . ASP 128 128 52394 1 . LYS 129 129 52394 1 . GLY 130 130 52394 1 . GLU 131 131 52394 1 . ALA 132 132 52394 1 . GLY 133 133 52394 1 . PRO 134 134 52394 1 . GLN 135 135 52394 1 . GLY 136 136 52394 1 . LEU 137 137 52394 1 . PRO 138 138 52394 1 . GLY 139 139 52394 1 . PRO 140 140 52394 1 . LYS 141 141 52394 1 . GLY 142 142 52394 1 . ASP 143 143 52394 1 . LYS 144 144 52394 1 . GLY 145 145 52394 1 . GLU 146 146 52394 1 . ALA 147 147 52394 1 . GLY 148 148 52394 1 . PRO 149 149 52394 1 . GLN 150 150 52394 1 . GLY 151 151 52394 1 . LEU 152 152 52394 1 . PRO 153 153 52394 1 . GLY 154 154 52394 1 . PRO 155 155 52394 1 . LYS 156 156 52394 1 . GLY 157 157 52394 1 . ASP 158 158 52394 1 . LYS 159 159 52394 1 . GLY 160 160 52394 1 . GLU 161 161 52394 1 . ALA 162 162 52394 1 . GLY 163 163 52394 1 . ALA 164 164 52394 1 . VAL 165 165 52394 1 . GLY 166 166 52394 1 . PRO 167 167 52394 1 . GLN 168 168 52394 1 . GLY 169 169 52394 1 . MET 170 170 52394 1 . PRO 171 171 52394 1 . GLY 172 172 52394 1 . PRO 173 173 52394 1 . LYS 174 174 52394 1 . GLY 175 175 52394 1 . ASP 176 176 52394 1 . LYS 177 177 52394 1 . GLY 178 178 52394 1 . GLU 179 179 52394 1 . ALA 180 180 52394 1 . GLY 181 181 52394 1 . PRO 182 182 52394 1 . GLN 183 183 52394 1 . GLY 184 184 52394 1 . LEU 185 185 52394 1 . PRO 186 186 52394 1 . GLY 187 187 52394 1 . PRO 188 188 52394 1 . LYS 189 189 52394 1 . GLY 190 190 52394 1 . ASP 191 191 52394 1 . ARG 192 192 52394 1 . GLY 193 193 52394 1 . GLU 194 194 52394 1 . ALA 195 195 52394 1 . GLY 196 196 52394 1 . PRO 197 197 52394 1 . GLN 198 198 52394 1 . GLY 199 199 52394 1 . LEU 200 200 52394 1 . PRO 201 201 52394 1 . GLY 202 202 52394 1 . PRO 203 203 52394 1 . LYS 204 204 52394 1 . GLY 205 205 52394 1 . ASP 206 206 52394 1 . ARG 207 207 52394 1 . GLY 208 208 52394 1 . GLU 209 209 52394 1 . ALA 210 210 52394 1 . GLY 211 211 52394 1 . PRO 212 212 52394 1 . GLN 213 213 52394 1 . GLY 214 214 52394 1 . LEU 215 215 52394 1 . PRO 216 216 52394 1 . GLY 217 217 52394 1 . PRO 218 218 52394 1 . LYS 219 219 52394 1 . GLY 220 220 52394 1 . ASP 221 221 52394 1 . LYS 222 222 52394 1 . GLY 223 223 52394 1 . GLU 224 224 52394 1 . THR 225 225 52394 1 . GLY 226 226 52394 1 . ALA 227 227 52394 1 . VAL 228 228 52394 1 . GLY 229 229 52394 1 . PRO 230 230 52394 1 . GLN 231 231 52394 1 . GLY 232 232 52394 1 . MET 233 233 52394 1 . PRO 234 234 52394 1 . GLY 235 235 52394 1 . PRO 236 236 52394 1 . LYS 237 237 52394 1 . GLY 238 238 52394 1 . GLU 239 239 52394 1 . ALA 240 240 52394 1 . GLY 241 241 52394 1 . ASP 242 242 52394 1 . ASP 243 243 52394 1 . GLY 244 244 52394 1 . GLN 245 245 52394 1 . GLY 246 246 52394 1 . VAL 247 247 52394 1 . PRO 248 248 52394 1 . ALA 249 249 52394 1 . GLY 250 250 52394 1 . GLY 251 251 52394 1 . GLU 252 252 52394 1 . THR 253 253 52394 1 . GLY 254 254 52394 1 . GLN 255 255 52394 1 . VAL 256 256 52394 1 . LEU 257 257 52394 1 . ALA 258 258 52394 1 . LYS 259 259 52394 1 . SER 260 260 52394 1 . ASN 261 261 52394 1 . ASP 262 262 52394 1 . LEU 263 263 52394 1 . ASP 264 264 52394 1 . PHE 265 265 52394 1 . ASN 266 266 52394 1 . THR 267 267 52394 1 . MET 268 268 52394 1 . TRP 269 269 52394 1 . VAL 270 270 52394 1 . ASP 271 271 52394 1 . PRO 272 272 52394 1 . ALA 273 273 52394 1 . ASN 274 274 52394 1 . SER 275 275 52394 1 . GLY 276 276 52394 1 . ILE 277 277 52394 1 . ARG 278 278 52394 1 . ARG 279 279 52394 1 . GLN 280 280 52394 1 . LEU 281 281 52394 1 . GLY 282 282 52394 1 . ASP 283 283 52394 1 . LYS 284 284 52394 1 . ALA 285 285 52394 1 . LEU 286 286 52394 1 . GLY 287 287 52394 1 . GLY 288 288 52394 1 . THR 289 289 52394 1 . VAL 290 290 52394 1 . ILE 291 291 52394 1 . TYR 292 292 52394 1 . VAL 293 293 52394 1 . ASN 294 294 52394 1 . ALA 295 295 52394 1 . LEU 296 296 52394 1 . GLY 297 297 52394 1 . THR 298 298 52394 1 . HIS 299 299 52394 1 . GLY 300 300 52394 1 . LEU 301 301 52394 1 . VAL 302 302 52394 1 . VAL 303 303 52394 1 . ALA 304 304 52394 1 . ASN 305 305 52394 1 . SER 306 306 52394 1 . ASP 307 307 52394 1 . GLN 308 308 52394 1 . VAL 309 309 52394 1 . ASN 310 310 52394 1 . SER 311 311 52394 1 . ASN 312 312 52394 1 . THR 313 313 52394 1 . TRP 314 314 52394 1 . TRP 315 315 52394 1 . ASP 316 316 52394 1 . ALA 317 317 52394 1 . GLN 318 318 52394 1 . ASP 319 319 52394 1 . SER 320 320 52394 1 . ILE 321 321 52394 1 . THR 322 322 52394 1 . ASN 323 323 52394 1 . PRO 324 324 52394 1 . ALA 325 325 52394 1 . HIS 326 326 52394 1 . PHE 327 327 52394 1 . ASP 328 328 52394 1 . ASN 329 329 52394 1 . GLU 330 330 52394 1 . GLY 331 331 52394 1 . LYS 332 332 52394 1 . LEU 333 333 52394 1 . TYR 334 334 52394 1 . SER 335 335 52394 1 . ASP 336 336 52394 1 . TRP 337 337 52394 1 . ARG 338 338 52394 1 . LEU 339 339 52394 1 . PRO 340 340 52394 1 . THR 341 341 52394 1 . ARG 342 342 52394 1 . PHE 343 343 52394 1 . GLU 344 344 52394 1 . LEU 345 345 52394 1 . ASN 346 346 52394 1 . LEU 347 347 52394 1 . ILE 348 348 52394 1 . TYR 349 349 52394 1 . MET 350 350 52394 1 . MET 351 351 52394 1 . ARG 352 352 52394 1 . ASN 353 353 52394 1 . GLU 354 354 52394 1 . LEU 355 355 52394 1 . GLY 356 356 52394 1 . ASN 357 357 52394 1 . PHE 358 358 52394 1 . LEU 359 359 52394 1 . ALA 360 360 52394 1 . GLY 361 361 52394 1 . ASN 362 362 52394 1 . TYR 363 363 52394 1 . TRP 364 364 52394 1 . SER 365 365 52394 1 . SER 366 366 52394 1 . ILE 367 367 52394 1 . GLU 368 368 52394 1 . LYS 369 369 52394 1 . SER 370 370 52394 1 . SER 371 371 52394 1 . ALA 372 372 52394 1 . ASN 373 373 52394 1 . SER 374 374 52394 1 . TRP 375 375 52394 1 . VAL 376 376 52394 1 . PHE 377 377 52394 1 . ASN 378 378 52394 1 . SER 379 379 52394 1 . LYS 380 380 52394 1 . THR 381 381 52394 1 . GLY 382 382 52394 1 . GLU 383 383 52394 1 . ILE 384 384 52394 1 . LYS 385 385 52394 1 . ASP 386 386 52394 1 . ILE 387 387 52394 1 . ALA 388 388 52394 1 . LYS 389 389 52394 1 . SER 390 390 52394 1 . LYS 391 391 52394 1 . THR 392 392 52394 1 . ALA 393 393 52394 1 . ALA 394 394 52394 1 . VAL 395 395 52394 1 . ARG 396 396 52394 1 . ALA 397 397 52394 1 . VAL 398 398 52394 1 . ARG 399 399 52394 1 . ALA 400 400 52394 1 . PHE 401 401 52394 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 52394 _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 . . organism . 'Legionella pneumoniae' 'Legionella pneumoniae' . . . . Legionella pneumoniae 130b . . . . . . . . . . . . 52394 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 52394 _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 . . plasmid . . 'pET46 Ek/LIC' . . . 52394 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52394 _Sample.ID 1 _Sample.Name Lcl-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 'Lcl C-terminal domain' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52394 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 52394 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 52394 1 4 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 52394 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 52394 _Sample_condition_list.ID 1 _Sample_condition_list.Name Lcl-CTD _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' 50 . mM 52394 1 pH 7 . pH 52394 1 pressure 1 . atm 52394 1 temperature 310 . K 52394 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52394 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52394 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52394 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD spectrometer with 900 MHz Oxford Instruments magnet' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Bruker, Oxford Instruments' _NMR_spectrometer.Model 'Avance III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '900 MHz' 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 52394 _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 . . . . . . . . . . . . . . . . . 52394 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52394 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52394 1 4 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52394 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52394 1 6 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52394 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 52394 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Lcl-CTD _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 'methyl carbon' . . . . ppm 4.698 internal direct 1 . . . . . 52394 1 H 1 water protons . . . . ppm 4.698 internal direct 1 . . . . . 52394 1 N 15 water nitrogen . . . . ppm 4.698 internal direct 1 . . . . . 52394 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 52394 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Lcl-CTD _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' . . . 52394 1 2 '3D HNCACB' . . . 52394 1 3 '3D HNCACB' . . . 52394 1 4 '3D HN(CO)CACB' . . . 52394 1 6 '3D HN(CO)CA' . . . 52394 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 . . 52394 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 . 1 276 276 GLY H H 1 8.096 . . 1 . . . . . 276 G HN . 52394 1 2 . 1 . 1 276 276 GLY CA C 13 44.739 . . 1 . . . . . 276 G CA . 52394 1 3 . 1 . 1 276 276 GLY N N 15 110.444 . . 1 . . . . . 276 G N . 52394 1 4 . 1 . 1 277 277 ILE H H 1 7.649 . . 1 . . . . . 277 I HN . 52394 1 5 . 1 . 1 277 277 ILE C C 13 175.566 . . 1 . . . . . 277 I C . 52394 1 6 . 1 . 1 277 277 ILE CA C 13 60.396 . . 1 . . . . . 277 I CA . 52394 1 7 . 1 . 1 277 277 ILE CB C 13 38.100 . . 1 . . . . . 277 I CB . 52394 1 8 . 1 . 1 277 277 ILE N N 15 120.427 . . 1 . . . . . 277 I N . 52394 1 9 . 1 . 1 278 278 ARG H H 1 8.144 . . 1 . . . . . 278 R HN . 52394 1 10 . 1 . 1 278 278 ARG C C 13 175.608 . . 1 . . . . . 278 R C . 52394 1 11 . 1 . 1 278 278 ARG CA C 13 55.309 . . 1 . . . . . 278 R CA . 52394 1 12 . 1 . 1 278 278 ARG CB C 13 30.007 . . 1 . . . . . 278 R CB . 52394 1 13 . 1 . 1 278 278 ARG N N 15 126.142 . . 1 . . . . . 278 R N . 52394 1 14 . 1 . 1 279 279 ARG H H 1 8.926 . . 1 . . . . . 279 R HN . 52394 1 15 . 1 . 1 279 279 ARG C C 13 174.493 . . 1 . . . . . 279 R C . 52394 1 16 . 1 . 1 279 279 ARG CA C 13 53.360 . . 1 . . . . . 279 R CA . 52394 1 17 . 1 . 1 279 279 ARG CB C 13 30.668 . . 1 . . . . . 279 R CB . 52394 1 18 . 1 . 1 279 279 ARG N N 15 123.733 . . 1 . . . . . 279 R N . 52394 1 19 . 1 . 1 280 280 GLN H H 1 8.426 . . 1 . . . . . 280 Q HN . 52394 1 20 . 1 . 1 280 280 GLN C C 13 175.015 . . 1 . . . . . 280 Q C . 52394 1 21 . 1 . 1 280 280 GLN CA C 13 53.459 . . 1 . . . . . 280 Q CA . 52394 1 22 . 1 . 1 280 280 GLN CB C 13 31.362 . . 1 . . . . . 280 Q CB . 52394 1 23 . 1 . 1 280 280 GLN N N 15 118.809 . . 1 . . . . . 280 Q N . 52394 1 24 . 1 . 1 281 281 LEU H H 1 8.278 . . 1 . . . . . 281 L HN . 52394 1 25 . 1 . 1 281 281 LEU C C 13 178.367 . . 1 . . . . . 281 L C . 52394 1 26 . 1 . 1 281 281 LEU CA C 13 56.400 . . 1 . . . . . 281 L CA . 52394 1 27 . 1 . 1 281 281 LEU CB C 13 40.894 . . 1 . . . . . 281 L CB . 52394 1 28 . 1 . 1 281 281 LEU N N 15 120.754 . . 1 . . . . . 281 L N . 52394 1 29 . 1 . 1 282 282 GLY H H 1 8.975 . . 1 . . . . . 282 G HN . 52394 1 30 . 1 . 1 282 282 GLY C C 13 173.884 . . 1 . . . . . 282 G C . 52394 1 31 . 1 . 1 282 282 GLY CA C 13 44.244 . . 1 . . . . . 282 G CA . 52394 1 32 . 1 . 1 282 282 GLY N N 15 112.975 . . 1 . . . . . 282 G N . 52394 1 33 . 1 . 1 283 283 ASP H H 1 7.853 . . 1 . . . . . 283 D HN . 52394 1 34 . 1 . 1 283 283 ASP C C 13 175.681 . . 1 . . . . . 283 D C . 52394 1 35 . 1 . 1 283 283 ASP CA C 13 55.342 . . 1 . . . . . 283 D CA . 52394 1 36 . 1 . 1 283 283 ASP CB C 13 40.524 . . 1 . . . . . 283 D CB . 52394 1 37 . 1 . 1 283 283 ASP N N 15 121.467 . . 1 . . . . . 283 D N . 52394 1 38 . 1 . 1 284 284 LYS H H 1 8.349 . . 1 . . . . . 284 K HN . 52394 1 39 . 1 . 1 284 284 LYS C C 13 175.173 . . 1 . . . . . 284 K C . 52394 1 40 . 1 . 1 284 284 LYS CA C 13 53.920 . . 1 . . . . . 284 K CA . 52394 1 41 . 1 . 1 284 284 LYS CB C 13 29.014 . . 1 . . . . . 284 K CB . 52394 1 42 . 1 . 1 284 284 LYS N N 15 122.460 . . 1 . . . . . 284 K N . 52394 1 43 . 1 . 1 285 285 ALA H H 1 8.053 . . 1 . . . . . 285 A HN . 52394 1 44 . 1 . 1 285 285 ALA C C 13 174.870 . . 1 . . . . . 285 A C . 52394 1 45 . 1 . 1 285 285 ALA CA C 13 50.685 . . 1 . . . . . 285 A CA . 52394 1 46 . 1 . 1 285 285 ALA CB C 13 21.155 . . 1 . . . . . 285 A CB . 52394 1 47 . 1 . 1 285 285 ALA N N 15 127.096 . . 1 . . . . . 285 A N . 52394 1 48 . 1 . 1 287 287 GLY H H 1 8.418 . . 1 . . . . . 287 G HN . 52394 1 49 . 1 . 1 287 287 GLY C C 13 174.186 . . 1 . . . . . 287 G C . 52394 1 50 . 1 . 1 287 287 GLY CA C 13 44.145 . . 1 . . . . . 287 G CA . 52394 1 51 . 1 . 1 287 287 GLY N N 15 102.978 . . 1 . . . . . 287 G N . 52394 1 52 . 1 . 1 288 288 GLY H H 1 7.125 . . 1 . . . . . 288 G HN . 52394 1 53 . 1 . 1 288 288 GLY C C 13 173.594 . . 1 . . . . . 288 G C . 52394 1 54 . 1 . 1 288 288 GLY CA C 13 47.018 . . 1 . . . . . 288 G CA . 52394 1 55 . 1 . 1 288 288 GLY N N 15 108.252 . . 1 . . . . . 288 G N . 52394 1 56 . 1 . 1 289 289 THR H H 1 9.280 . . 1 . . . . . 289 T HN . 52394 1 57 . 1 . 1 289 289 THR C C 13 173.547 . . 1 . . . . . 289 T C . 52394 1 58 . 1 . 1 289 289 THR CA C 13 60.991 . . 1 . . . . . 289 T CA . 52394 1 59 . 1 . 1 289 289 THR CB C 13 71.098 . . 1 . . . . . 289 T CB . 52394 1 60 . 1 . 1 289 289 THR N N 15 124.294 . . 1 . . . . . 289 T N . 52394 1 61 . 1 . 1 290 290 VAL H H 1 9.294 . . 1 . . . . . 290 V HN . 52394 1 62 . 1 . 1 290 290 VAL C C 13 176.609 . . 1 . . . . . 290 V C . 52394 1 63 . 1 . 1 290 290 VAL CA C 13 63.963 . . 1 . . . . . 290 V CA . 52394 1 64 . 1 . 1 290 290 VAL CB C 13 31.065 . . 1 . . . . . 290 V CB . 52394 1 65 . 1 . 1 290 290 VAL N N 15 129.006 . . 1 . . . . . 290 V N . 52394 1 66 . 1 . 1 291 291 ILE H H 1 8.561 . . 1 . . . . . 291 I HN . 52394 1 67 . 1 . 1 291 291 ILE C C 13 173.982 . . 1 . . . . . 291 I C . 52394 1 68 . 1 . 1 291 291 ILE CA C 13 60.369 . . 1 . . . . . 291 I CA . 52394 1 69 . 1 . 1 291 291 ILE CB C 13 38.838 . . 1 . . . . . 291 I CB . 52394 1 70 . 1 . 1 291 291 ILE N N 15 121.377 . . 1 . . . . . 291 I N . 52394 1 71 . 1 . 1 292 292 TYR H H 1 7.706 . . 1 . . . . . 292 Y HN . 52394 1 72 . 1 . 1 292 292 TYR C C 13 172.956 . . 1 . . . . . 292 Y C . 52394 1 73 . 1 . 1 292 292 TYR CA C 13 59.108 . . 1 . . . . . 292 Y CA . 52394 1 74 . 1 . 1 292 292 TYR CB C 13 41.073 . . 1 . . . . . 292 Y CB . 52394 1 75 . 1 . 1 292 292 TYR N N 15 121.531 . . 1 . . . . . 292 Y N . 52394 1 76 . 1 . 1 293 293 VAL H H 1 7.111 . . 1 . . . . . 293 V HN . 52394 1 77 . 1 . 1 293 293 VAL C C 13 172.927 . . 1 . . . . . 293 V C . 52394 1 78 . 1 . 1 293 293 VAL CA C 13 58.612 . . 1 . . . . . 293 V CA . 52394 1 79 . 1 . 1 293 293 VAL CB C 13 35.127 . . 1 . . . . . 293 V CB . 52394 1 80 . 1 . 1 293 293 VAL N N 15 121.796 . . 1 . . . . . 293 V N . 52394 1 81 . 1 . 1 294 294 ASN H H 1 7.867 . . 1 . . . . . 294 N HN . 52394 1 82 . 1 . 1 294 294 ASN C C 13 176.116 . . 1 . . . . . 294 N C . 52394 1 83 . 1 . 1 294 294 ASN CA C 13 51.279 . . 1 . . . . . 294 N CA . 52394 1 84 . 1 . 1 294 294 ASN CB C 13 36.911 . . 1 . . . . . 294 N CB . 52394 1 85 . 1 . 1 294 294 ASN N N 15 118.820 . . 1 . . . . . 294 N N . 52394 1 86 . 1 . 1 295 295 ALA H H 1 8.539 . . 1 . . . . . 295 A HN . 52394 1 87 . 1 . 1 295 295 ALA C C 13 177.827 . . 1 . . . . . 295 A C . 52394 1 88 . 1 . 1 295 295 ALA CA C 13 54.252 . . 1 . . . . . 295 A CA . 52394 1 89 . 1 . 1 295 295 ALA CB C 13 17.786 . . 1 . . . . . 295 A CB . 52394 1 90 . 1 . 1 295 295 ALA N N 15 117.811 . . 1 . . . . . 295 A N . 52394 1 91 . 1 . 1 296 296 LEU H H 1 6.922 . . 1 . . . . . 296 L HN . 52394 1 92 . 1 . 1 296 296 LEU C C 13 176.957 . . 1 . . . . . 296 L C . 52394 1 93 . 1 . 1 296 296 LEU CA C 13 53.856 . . 1 . . . . . 296 L CA . 52394 1 94 . 1 . 1 296 296 LEU CB C 13 42.757 . . 1 . . . . . 296 L CB . 52394 1 95 . 1 . 1 296 296 LEU N N 15 113.813 . . 1 . . . . . 296 L N . 52394 1 96 . 1 . 1 297 297 GLY H H 1 7.848 . . 1 . . . . . 297 G HN . 52394 1 97 . 1 . 1 297 297 GLY C C 13 175.015 . . 1 . . . . . 297 G C . 52394 1 98 . 1 . 1 297 297 GLY CA C 13 45.631 . . 1 . . . . . 297 G CA . 52394 1 99 . 1 . 1 297 297 GLY N N 15 107.936 . . 1 . . . . . 297 G N . 52394 1 100 . 1 . 1 298 298 THR H H 1 7.993 . . 1 . . . . . 298 T HN . 52394 1 101 . 1 . 1 298 298 THR C C 13 173.536 . . 1 . . . . . 298 T C . 52394 1 102 . 1 . 1 298 298 THR CA C 13 61.486 . . 1 . . . . . 298 T CA . 52394 1 103 . 1 . 1 298 298 THR CB C 13 70.305 . . 1 . . . . . 298 T CB . 52394 1 104 . 1 . 1 298 298 THR N N 15 106.966 . . 1 . . . . . 298 T N . 52394 1 105 . 1 . 1 299 299 HIS H H 1 6.771 . . 1 . . . . . 299 H HN . 52394 1 106 . 1 . 1 299 299 HIS C C 13 171.738 . . 1 . . . . . 299 H C . 52394 1 107 . 1 . 1 299 299 HIS CA C 13 53.955 . . 1 . . . . . 299 H CA . 52394 1 108 . 1 . 1 299 299 HIS CB C 13 31.362 . . 1 . . . . . 299 H CB . 52394 1 109 . 1 . 1 299 299 HIS N N 15 114.953 . . 1 . . . . . 299 H N . 52394 1 110 . 1 . 1 300 300 GLY H H 1 7.302 . . 1 . . . . . 300 G HN . 52394 1 111 . 1 . 1 300 300 GLY C C 13 171.477 . . 1 . . . . . 300 G C . 52394 1 112 . 1 . 1 300 300 GLY CA C 13 46.325 . . 1 . . . . . 300 G CA . 52394 1 113 . 1 . 1 300 300 GLY N N 15 107.200 . . 1 . . . . . 300 G N . 52394 1 114 . 1 . 1 301 301 LEU H H 1 8.767 . . 1 . . . . . 301 L HN . 52394 1 115 . 1 . 1 301 301 LEU C C 13 175.421 . . 1 . . . . . 301 L C . 52394 1 116 . 1 . 1 301 301 LEU CA C 13 53.261 . . 1 . . . . . 301 L CA . 52394 1 117 . 1 . 1 301 301 LEU CB C 13 48.505 . . 1 . . . . . 301 L CB . 52394 1 118 . 1 . 1 301 301 LEU N N 15 121.972 . . 1 . . . . . 301 L N . 52394 1 119 . 1 . 1 302 302 VAL H H 1 9.369 . . 1 . . . . . 302 V HN . 52394 1 120 . 1 . 1 302 302 VAL CA C 13 60.171 . . 1 . . . . . 302 V CA . 52394 1 121 . 1 . 1 302 302 VAL CB C 13 35.226 . . 1 . . . . . 302 V CB . 52394 1 122 . 1 . 1 302 302 VAL N N 15 126.344 . . 1 . . . . . 302 V N . 52394 1 123 . 1 . 1 312 312 ASN H H 1 9.233 . . 1 . . . . . 312 N HN . 52394 1 124 . 1 . 1 312 312 ASN C C 13 176.812 . . 1 . . . . . 312 N C . 52394 1 125 . 1 . 1 312 312 ASN CA C 13 51.379 . . 1 . . . . . 312 N CA . 52394 1 126 . 1 . 1 312 312 ASN N N 15 127.487 . . 1 . . . . . 312 N N . 52394 1 127 . 1 . 1 313 313 THR H H 1 9.380 . . 1 . . . . . 313 T HN . 52394 1 128 . 1 . 1 313 313 THR C C 13 175.247 . . 1 . . . . . 313 T C . 52394 1 129 . 1 . 1 313 313 THR CA C 13 61.288 . . 1 . . . . . 313 T CA . 52394 1 130 . 1 . 1 313 313 THR CB C 13 70.404 . . 1 . . . . . 313 T CB . 52394 1 131 . 1 . 1 313 313 THR N N 15 116.546 . . 1 . . . . . 313 T N . 52394 1 132 . 1 . 1 315 315 TRP H H 1 6.544 . . 1 . . . . . 315 W HN . 52394 1 133 . 1 . 1 315 315 TRP C C 13 175.247 . . 1 . . . . . 315 W C . 52394 1 134 . 1 . 1 315 315 TRP CA C 13 56.845 . . 1 . . . . . 315 W CA . 52394 1 135 . 1 . 1 315 315 TRP CB C 13 29.982 . . 1 . . . . . 315 W CB . 52394 1 136 . 1 . 1 315 315 TRP N N 15 111.652 . . 1 . . . . . 315 W N . 52394 1 137 . 1 . 1 317 317 ALA H H 1 7.726 . . 1 . . . . . 317 A HN . 52394 1 138 . 1 . 1 317 317 ALA C C 13 182.206 . . 1 . . . . . 317 A C . 52394 1 139 . 1 . 1 317 317 ALA CA C 13 53.360 . . 1 . . . . . 317 A CA . 52394 1 140 . 1 . 1 317 317 ALA CB C 13 19.471 . . 1 . . . . . 317 A CB . 52394 1 141 . 1 . 1 317 317 ALA N N 15 130.952 . . 1 . . . . . 317 A N . 52394 1 142 . 1 . 1 321 321 ILE H H 1 9.344 . . 1 . . . . . 321 I HN . 52394 1 143 . 1 . 1 321 321 ILE C C 13 178.628 . . 1 . . . . . 321 I C . 52394 1 144 . 1 . 1 321 321 ILE CA C 13 62.354 . . 1 . . . . . 321 I CA . 52394 1 145 . 1 . 1 321 321 ILE CB C 13 38.838 . . 1 . . . . . 321 I CB . 52394 1 146 . 1 . 1 321 321 ILE N N 15 122.436 . . 1 . . . . . 321 I N . 52394 1 147 . 1 . 1 325 325 ALA H H 1 7.608 . . 1 . . . . . 325 A HN . 52394 1 148 . 1 . 1 325 325 ALA C C 13 179.132 . . 1 . . . . . 325 A C . 52394 1 149 . 1 . 1 325 325 ALA CA C 13 53.559 . . 1 . . . . . 325 A CA . 52394 1 150 . 1 . 1 325 325 ALA CB C 13 17.306 . . 1 . . . . . 325 A CB . 52394 1 151 . 1 . 1 325 325 ALA N N 15 117.614 . . 1 . . . . . 325 A N . 52394 1 152 . 1 . 1 326 326 HIS H H 1 7.735 . . 1 . . . . . 326 H HN . 52394 1 153 . 1 . 1 326 326 HIS C C 13 172.502 . . 1 . . . . . 326 H C . 52394 1 154 . 1 . 1 326 326 HIS CA C 13 54.614 . . 1 . . . . . 326 H CA . 52394 1 155 . 1 . 1 326 326 HIS CB C 13 27.626 . . 1 . . . . . 326 H CB . 52394 1 156 . 1 . 1 326 326 HIS N N 15 115.181 . . 1 . . . . . 326 H N . 52394 1 157 . 1 . 1 327 327 PHE H H 1 7.609 . . 1 . . . . . 327 F HN . 52394 1 158 . 1 . 1 327 327 PHE C C 13 175.231 . . 1 . . . . . 327 F C . 52394 1 159 . 1 . 1 327 327 PHE CA C 13 56.432 . . 1 . . . . . 327 F CA . 52394 1 160 . 1 . 1 327 327 PHE CB C 13 42.262 . . 1 . . . . . 327 F CB . 52394 1 161 . 1 . 1 327 327 PHE N N 15 118.502 . . 1 . . . . . 327 F N . 52394 1 162 . 1 . 1 328 328 ASP H H 1 8.450 . . 1 . . . . . 328 D HN . 52394 1 163 . 1 . 1 328 328 ASP C C 13 175.421 . . 1 . . . . . 328 D C . 52394 1 164 . 1 . 1 328 328 ASP CA C 13 52.072 . . 1 . . . . . 328 D CA . 52394 1 165 . 1 . 1 328 328 ASP CB C 13 39.785 . . 1 . . . . . 328 D CB . 52394 1 166 . 1 . 1 328 328 ASP N N 15 119.650 . . 1 . . . . . 328 D N . 52394 1 167 . 1 . 1 331 331 GLY H H 1 8.723 . . 1 . . . . . 331 G HN . 52394 1 168 . 1 . 1 331 331 GLY C C 13 176.609 . . 1 . . . . . 331 G C . 52394 1 169 . 1 . 1 331 331 GLY CA C 13 47.811 . . 1 . . . . . 331 G CA . 52394 1 170 . 1 . 1 331 331 GLY N N 15 109.765 . . 1 . . . . . 331 G N . 52394 1 171 . 1 . 1 332 332 LYS H H 1 8.310 . . 1 . . . . . 332 K HN . 52394 1 172 . 1 . 1 332 332 LYS C C 13 177.624 . . 1 . . . . . 332 K C . 52394 1 173 . 1 . 1 332 332 LYS CA C 13 57.621 . . 1 . . . . . 332 K CA . 52394 1 174 . 1 . 1 332 332 LYS CB C 13 33.046 . . 1 . . . . . 332 K CB . 52394 1 175 . 1 . 1 332 332 LYS N N 15 118.713 . . 1 . . . . . 332 K N . 52394 1 176 . 1 . 1 333 333 LEU H H 1 7.451 . . 1 . . . . . 333 L HN . 52394 1 177 . 1 . 1 333 333 LEU C C 13 175.160 . . 1 . . . . . 333 L C . 52394 1 178 . 1 . 1 333 333 LEU CA C 13 55.838 . . 1 . . . . . 333 L CA . 52394 1 179 . 1 . 1 333 333 LEU CB C 13 41.568 . . 1 . . . . . 333 L CB . 52394 1 180 . 1 . 1 333 333 LEU N N 15 118.555 . . 1 . . . . . 333 L N . 52394 1 181 . 1 . 1 334 334 TYR H H 1 7.300 . . 1 . . . . . 334 Y HN . 52394 1 182 . 1 . 1 334 334 TYR C C 13 175.044 . . 1 . . . . . 334 Y C . 52394 1 183 . 1 . 1 334 334 TYR CA C 13 57.820 . . 1 . . . . . 334 Y CA . 52394 1 184 . 1 . 1 334 334 TYR CB C 13 41.568 . . 1 . . . . . 334 Y CB . 52394 1 185 . 1 . 1 334 334 TYR N N 15 115.137 . . 1 . . . . . 334 Y N . 52394 1 186 . 1 . 1 335 335 SER H H 1 8.563 . . 1 . . . . . 335 S HN . 52394 1 187 . 1 . 1 335 335 SER CA C 13 57.720 . . 1 . . . . . 335 S CA . 52394 1 188 . 1 . 1 335 335 SER CB C 13 65.152 . . 1 . . . . . 335 S CB . 52394 1 189 . 1 . 1 335 335 SER N N 15 115.204 . . 1 . . . . . 335 S N . 52394 1 190 . 1 . 1 336 336 ASP H H 1 7.968 . . 1 . . . . . 336 D HN . 52394 1 191 . 1 . 1 336 336 ASP C C 13 175.463 . . 1 . . . . . 336 D C . 52394 1 192 . 1 . 1 336 336 ASP CA C 13 51.538 . . 1 . . . . . 336 D CA . 52394 1 193 . 1 . 1 336 336 ASP CB C 13 39.036 . . 1 . . . . . 336 D CB . 52394 1 194 . 1 . 1 336 336 ASP N N 15 119.669 . . 1 . . . . . 336 D N . 52394 1 195 . 1 . 1 337 337 TRP H H 1 7.010 . . 1 . . . . . 337 W HN . 52394 1 196 . 1 . 1 337 337 TRP C C 13 175.405 . . 1 . . . . . 337 W C . 52394 1 197 . 1 . 1 337 337 TRP CA C 13 57.126 . . 1 . . . . . 337 W CA . 52394 1 198 . 1 . 1 337 337 TRP CB C 13 30.668 . . 1 . . . . . 337 W CB . 52394 1 199 . 1 . 1 337 337 TRP N N 15 120.879 . . 1 . . . . . 337 W N . 52394 1 200 . 1 . 1 338 338 ARG H H 1 9.807 . . 1 . . . . . 338 R HN . 52394 1 201 . 1 . 1 338 338 ARG C C 13 175.479 . . 1 . . . . . 338 R C . 52394 1 202 . 1 . 1 338 338 ARG CA C 13 54.748 . . 1 . . . . . 338 R CA . 52394 1 203 . 1 . 1 338 338 ARG CB C 13 32.155 . . 1 . . . . . 338 R CB . 52394 1 204 . 1 . 1 338 338 ARG N N 15 116.054 . . 1 . . . . . 338 R N . 52394 1 205 . 1 . 1 339 339 LEU H H 1 8.601 . . 1 . . . . . 339 L HN . 52394 1 206 . 1 . 1 339 339 LEU C C 13 175.536 . . 1 . . . . . 339 L C . 52394 1 207 . 1 . 1 339 339 LEU CA C 13 52.865 . . 1 . . . . . 339 L CA . 52394 1 208 . 1 . 1 339 339 LEU CB C 13 41.370 . . 1 . . . . . 339 L CB . 52394 1 209 . 1 . 1 339 339 LEU N N 15 119.677 . . 1 . . . . . 339 L N . 52394 1 210 . 1 . 1 341 341 THR H H 1 9.608 . . 1 . . . . . 341 T HN . 52394 1 211 . 1 . 1 341 341 THR C C 13 176.116 . . 1 . . . . . 341 T C . 52394 1 212 . 1 . 1 341 341 THR CA C 13 61.387 . . 1 . . . . . 341 T CA . 52394 1 213 . 1 . 1 341 341 THR CB C 13 69.314 . . 1 . . . . . 341 T CB . 52394 1 214 . 1 . 1 341 341 THR N N 15 111.174 . . 1 . . . . . 341 T N . 52394 1 215 . 1 . 1 342 342 ARG H H 1 7.190 . . 1 . . . . . 342 R HN . 52394 1 216 . 1 . 1 342 342 ARG C C 13 178.628 . . 1 . . . . . 342 R C . 52394 1 217 . 1 . 1 342 342 ARG CA C 13 60.766 . . 1 . . . . . 342 R CA . 52394 1 218 . 1 . 1 342 342 ARG CB C 13 29.610 . . 1 . . . . . 342 R CB . 52394 1 219 . 1 . 1 342 342 ARG N N 15 118.916 . . 1 . . . . . 342 R N . 52394 1 220 . 1 . 1 343 343 PHE H H 1 9.243 . . 1 . . . . . 343 F HN . 52394 1 221 . 1 . 1 343 343 PHE C C 13 178.715 . . 1 . . . . . 343 F C . 52394 1 222 . 1 . 1 343 343 PHE CA C 13 62.056 . . 1 . . . . . 343 F CA . 52394 1 223 . 1 . 1 343 343 PHE CB C 13 38.639 . . 1 . . . . . 343 F CB . 52394 1 224 . 1 . 1 343 343 PHE N N 15 122.317 . . 1 . . . . . 343 F N . 52394 1 225 . 1 . 1 344 344 GLU H H 1 7.439 . . 1 . . . . . 344 E HN . 52394 1 226 . 1 . 1 344 344 GLU C C 13 179.248 . . 1 . . . . . 344 E C . 52394 1 227 . 1 . 1 344 344 GLU CA C 13 58.513 . . 1 . . . . . 344 E CA . 52394 1 228 . 1 . 1 344 344 GLU CB C 13 29.479 . . 1 . . . . . 344 E CB . 52394 1 229 . 1 . 1 344 344 GLU N N 15 117.592 . . 1 . . . . . 344 E N . 52394 1 230 . 1 . 1 346 346 ASN H H 1 6.987 . . 1 . . . . . 346 N HN . 52394 1 231 . 1 . 1 346 346 ASN C C 13 177.002 . . 1 . . . . . 346 N C . 52394 1 232 . 1 . 1 346 346 ASN CA C 13 56.202 . . 1 . . . . . 346 N CA . 52394 1 233 . 1 . 1 346 346 ASN CB C 13 38.044 . . 1 . . . . . 346 N CB . 52394 1 234 . 1 . 1 346 346 ASN N N 15 116.108 . . 1 . . . . . 346 N N . 52394 1 235 . 1 . 1 347 347 LEU H H 1 6.932 . . 1 . . . . . 347 L HN . 52394 1 236 . 1 . 1 347 347 LEU CA C 13 57.522 . . 1 . . . . . 347 L CA . 52394 1 237 . 1 . 1 347 347 LEU CB C 13 40.677 . . 1 . . . . . 347 L CB . 52394 1 238 . 1 . 1 347 347 LEU N N 15 118.358 . . 1 . . . . . 347 L N . 52394 1 239 . 1 . 1 348 348 ILE H H 1 7.272 . . 1 . . . . . 348 I HN . 52394 1 240 . 1 . 1 348 348 ILE C C 13 177.421 . . 1 . . . . . 348 I C . 52394 1 241 . 1 . 1 348 348 ILE CA C 13 65.648 . . 1 . . . . . 348 I CA . 52394 1 242 . 1 . 1 348 348 ILE CB C 13 36.515 . . 1 . . . . . 348 I CB . 52394 1 243 . 1 . 1 348 348 ILE N N 15 119.650 . . 1 . . . . . 348 I N . 52394 1 244 . 1 . 1 349 349 TYR H H 1 7.811 . . 1 . . . . . 349 Y HN . 52394 1 245 . 1 . 1 349 349 TYR C C 13 180.254 . . 1 . . . . . 349 Y C . 52394 1 246 . 1 . 1 349 349 TYR CA C 13 61.064 . . 1 . . . . . 349 Y CA . 52394 1 247 . 1 . 1 349 349 TYR CB C 13 39.036 . . 1 . . . . . 349 Y CB . 52394 1 248 . 1 . 1 349 349 TYR N N 15 118.794 . . 1 . . . . . 349 Y N . 52394 1 249 . 1 . 1 350 350 MET H H 1 8.304 . . 1 . . . . . 350 M HN . 52394 1 250 . 1 . 1 350 350 MET C C 13 177.757 . . 1 . . . . . 350 M C . 52394 1 251 . 1 . 1 350 350 MET CA C 13 57.889 . . 1 . . . . . 350 M CA . 52394 1 252 . 1 . 1 350 350 MET CB C 13 31.693 . . 1 . . . . . 350 M CB . 52394 1 253 . 1 . 1 350 350 MET N N 15 119.801 . . 1 . . . . . 350 M N . 52394 1 254 . 1 . 1 351 351 MET H H 1 7.335 . . 1 . . . . . 351 M HN . 52394 1 255 . 1 . 1 351 351 MET C C 13 177.931 . . 1 . . . . . 351 M C . 52394 1 256 . 1 . 1 351 351 MET CA C 13 53.559 . . 1 . . . . . 351 M CA . 52394 1 257 . 1 . 1 351 351 MET CB C 13 30.470 . . 1 . . . . . 351 M CB . 52394 1 258 . 1 . 1 351 351 MET N N 15 118.493 . . 1 . . . . . 351 M N . 52394 1 259 . 1 . 1 352 352 ARG H H 1 7.601 . . 1 . . . . . 352 R HN . 52394 1 260 . 1 . 1 352 352 ARG CA C 13 59.873 . . 1 . . . . . 352 R CA . 52394 1 261 . 1 . 1 352 352 ARG CB C 13 27.625 . . 1 . . . . . 352 R CB . 52394 1 262 . 1 . 1 352 352 ARG N N 15 119.711 . . 1 . . . . . 352 R N . 52394 1 263 . 1 . 1 355 355 LEU H H 1 7.757 . . 1 . . . . . 355 L HN . 52394 1 264 . 1 . 1 355 355 LEU CA C 13 56.432 . . 1 . . . . . 355 L CA . 52394 1 265 . 1 . 1 355 355 LEU CB C 13 41.715 . . 1 . . . . . 355 L CB . 52394 1 266 . 1 . 1 355 355 LEU N N 15 117.347 . . 1 . . . . . 355 L N . 52394 1 267 . 1 . 1 356 356 GLY H H 1 7.782 . . 1 . . . . . 356 G HN . 52394 1 268 . 1 . 1 356 356 GLY C C 13 174.029 . . 1 . . . . . 356 G C . 52394 1 269 . 1 . 1 356 356 GLY CA C 13 46.226 . . 1 . . . . . 356 G CA . 52394 1 270 . 1 . 1 356 356 GLY N N 15 104.435 . . 1 . . . . . 356 G N . 52394 1 271 . 1 . 1 357 357 ASN H H 1 6.867 . . 1 . . . . . 357 N HN . 52394 1 272 . 1 . 1 357 357 ASN C C 13 176.073 . . 1 . . . . . 357 N C . 52394 1 273 . 1 . 1 357 357 ASN CA C 13 51.340 . . 1 . . . . . 357 N CA . 52394 1 274 . 1 . 1 357 357 ASN CB C 13 37.449 . . 1 . . . . . 357 N CB . 52394 1 275 . 1 . 1 357 357 ASN N N 15 117.320 . . 1 . . . . . 357 N N . 52394 1 276 . 1 . 1 358 358 PHE H H 1 9.220 . . 1 . . . . . 358 F HN . 52394 1 277 . 1 . 1 358 358 PHE CA C 13 55.210 . . 1 . . . . . 358 F CA . 52394 1 278 . 1 . 1 358 358 PHE CB C 13 37.250 . . 1 . . . . . 358 F CB . 52394 1 279 . 1 . 1 358 358 PHE N N 15 128.693 . . 1 . . . . . 358 F N . 52394 1 280 . 1 . 1 361 361 GLY H H 1 7.490 . . 1 . . . . . 361 G HN . 52394 1 281 . 1 . 1 361 361 GLY C C 13 172.953 . . 1 . . . . . 361 G C . 52394 1 282 . 1 . 1 361 361 GLY CA C 13 44.186 . . 1 . . . . . 361 G CA . 52394 1 283 . 1 . 1 361 361 GLY N N 15 105.986 . . 1 . . . . . 361 G N . 52394 1 284 . 1 . 1 363 363 TYR H H 1 9.154 . . 1 . . . . . 363 Y HN . 52394 1 285 . 1 . 1 363 363 TYR C C 13 176.522 . . 1 . . . . . 363 Y C . 52394 1 286 . 1 . 1 363 363 TYR CA C 13 57.027 . . 1 . . . . . 363 Y CA . 52394 1 287 . 1 . 1 363 363 TYR CB C 13 41.073 . . 1 . . . . . 363 Y CB . 52394 1 288 . 1 . 1 363 363 TYR N N 15 123.540 . . 1 . . . . . 363 Y N . 52394 1 289 . 1 . 1 364 364 TRP H H 1 8.486 . . 1 . . . . . 364 W HN . 52394 1 290 . 1 . 1 364 364 TRP C C 13 176.015 . . 1 . . . . . 364 W C . 52394 1 291 . 1 . 1 364 364 TRP CA C 13 59.009 . . 1 . . . . . 364 W CA . 52394 1 292 . 1 . 1 364 364 TRP CB C 13 31.956 . . 1 . . . . . 364 W CB . 52394 1 293 . 1 . 1 364 364 TRP N N 15 118.020 . . 1 . . . . . 364 W N . 52394 1 294 . 1 . 1 365 365 SER H H 1 8.246 . . 1 . . . . . 365 S HN . 52394 1 295 . 1 . 1 365 365 SER C C 13 174.099 . . 1 . . . . . 365 S C . 52394 1 296 . 1 . 1 365 365 SER CA C 13 56.301 . . 1 . . . . . 365 S CA . 52394 1 297 . 1 . 1 365 365 SER N N 15 114.690 . . 1 . . . . . 365 S N . 52394 1 298 . 1 . 1 366 366 SER H H 1 9.057 . . 1 . . . . . 366 S HN . 52394 1 299 . 1 . 1 366 366 SER C C 13 173.449 . . 1 . . . . . 366 S C . 52394 1 300 . 1 . 1 366 366 SER CA C 13 58.216 . . 1 . . . . . 366 S CA . 52394 1 301 . 1 . 1 366 366 SER CB C 13 64.261 . . 1 . . . . . 366 S CB . 52394 1 302 . 1 . 1 366 366 SER N N 15 113.280 . . 1 . . . . . 366 S N . 52394 1 303 . 1 . 1 367 367 ILE H H 1 8.629 . . 1 . . . . . 367 I HN . 52394 1 304 . 1 . 1 367 367 ILE CA C 13 58.087 . . 1 . . . . . 367 I CA . 52394 1 305 . 1 . 1 367 367 ILE CB C 13 35.166 . . 1 . . . . . 367 I CB . 52394 1 306 . 1 . 1 367 367 ILE N N 15 122.627 . . 1 . . . . . 367 I N . 52394 1 307 . 1 . 1 368 368 GLU H H 1 9.083 . . 1 . . . . . 368 E HN . 52394 1 308 . 1 . 1 368 368 GLU C C 13 174.418 . . 1 . . . . . 368 E C . 52394 1 309 . 1 . 1 368 368 GLU CA C 13 55.342 . . 1 . . . . . 368 E CA . 52394 1 310 . 1 . 1 368 368 GLU CB C 13 29.776 . . 1 . . . . . 368 E CB . 52394 1 311 . 1 . 1 368 368 GLU N N 15 128.322 . . 1 . . . . . 368 E N . 52394 1 312 . 1 . 1 373 373 ASN H H 1 6.998 . . 1 . . . . . 373 N HN . 52394 1 313 . 1 . 1 373 373 ASN C C 13 174.592 . . 1 . . . . . 373 N C . 52394 1 314 . 1 . 1 373 373 ASN CA C 13 52.332 . . 1 . . . . . 373 N CA . 52394 1 315 . 1 . 1 373 373 ASN CB C 13 39.731 . . 1 . . . . . 373 N CB . 52394 1 316 . 1 . 1 373 373 ASN N N 15 116.139 . . 1 . . . . . 373 N N . 52394 1 317 . 1 . 1 374 374 SER H H 1 8.569 . . 1 . . . . . 374 S HN . 52394 1 318 . 1 . 1 374 374 SER C C 13 171.709 . . 1 . . . . . 374 S C . 52394 1 319 . 1 . 1 374 374 SER CA C 13 56.928 . . 1 . . . . . 374 S CA . 52394 1 320 . 1 . 1 374 374 SER CB C 13 67.332 . . 1 . . . . . 374 S CB . 52394 1 321 . 1 . 1 374 374 SER N N 15 116.438 . . 1 . . . . . 374 S N . 52394 1 322 . 1 . 1 375 375 TRP H H 1 8.417 . . 1 . . . . . 375 W HN . 52394 1 323 . 1 . 1 375 375 TRP C C 13 177.234 . . 1 . . . . . 375 W C . 52394 1 324 . 1 . 1 375 375 TRP CA C 13 57.591 . . 1 . . . . . 375 W CA . 52394 1 325 . 1 . 1 375 375 TRP CB C 13 29.411 . . 1 . . . . . 375 W CB . 52394 1 326 . 1 . 1 375 375 TRP N N 15 120.430 . . 1 . . . . . 375 W N . 52394 1 327 . 1 . 1 376 376 VAL H H 1 9.599 . . 1 . . . . . 376 V HN . 52394 1 328 . 1 . 1 376 376 VAL C C 13 173.507 . . 1 . . . . . 376 V C . 52394 1 329 . 1 . 1 376 376 VAL CA C 13 58.315 . . 1 . . . . . 376 V CA . 52394 1 330 . 1 . 1 376 376 VAL CB C 13 34.929 . . 1 . . . . . 376 V CB . 52394 1 331 . 1 . 1 376 376 VAL N N 15 117.505 . . 1 . . . . . 376 V N . 52394 1 332 . 1 . 1 377 377 PHE H H 1 8.920 . . 1 . . . . . 377 F HN . 52394 1 333 . 1 . 1 377 377 PHE C C 13 174.899 . . 1 . . . . . 377 F C . 52394 1 334 . 1 . 1 377 377 PHE CA C 13 55.640 . . 1 . . . . . 377 F CA . 52394 1 335 . 1 . 1 377 377 PHE CB C 13 46.028 . . 1 . . . . . 377 F CB . 52394 1 336 . 1 . 1 377 377 PHE N N 15 122.161 . . 1 . . . . . 377 F N . 52394 1 337 . 1 . 1 378 378 ASN H H 1 8.401 . . 1 . . . . . 378 N HN . 52394 1 338 . 1 . 1 378 378 ASN C C 13 174.970 . . 1 . . . . . 378 N C . 52394 1 339 . 1 . 1 378 378 ASN CA C 13 52.667 . . 1 . . . . . 378 N CA . 52394 1 340 . 1 . 1 378 378 ASN CB C 13 39.388 . . 1 . . . . . 378 N CB . 52394 1 341 . 1 . 1 378 378 ASN N N 15 127.868 . . 1 . . . . . 378 N N . 52394 1 342 . 1 . 1 379 379 SER H H 1 9.444 . . 1 . . . . . 379 S HN . 52394 1 343 . 1 . 1 379 379 SER C C 13 175.073 . . 1 . . . . . 379 S C . 52394 1 344 . 1 . 1 379 379 SER CA C 13 60.792 . . 1 . . . . . 379 S CA . 52394 1 345 . 1 . 1 379 379 SER CB C 13 63.765 . . 1 . . . . . 379 S CB . 52394 1 346 . 1 . 1 379 379 SER N N 15 124.503 . . 1 . . . . . 379 S N . 52394 1 347 . 1 . 1 380 380 LYS H H 1 8.195 . . 1 . . . . . 380 K HN . 52394 1 348 . 1 . 1 380 380 LYS CA C 13 57.591 . . 1 . . . . . 380 K CA . 52394 1 349 . 1 . 1 380 380 LYS CB C 13 31.991 . . 1 . . . . . 380 K CB . 52394 1 350 . 1 . 1 380 380 LYS N N 15 121.579 . . 1 . . . . . 380 K N . 52394 1 351 . 1 . 1 381 381 THR H H 1 7.592 . . 1 . . . . . 381 T HN . 52394 1 352 . 1 . 1 381 381 THR C C 13 176.116 . . 1 . . . . . 381 T C . 52394 1 353 . 1 . 1 381 381 THR CA C 13 60.992 . . 1 . . . . . 381 T CA . 52394 1 354 . 1 . 1 381 381 THR CB C 13 70.506 . . 1 . . . . . 381 T CB . 52394 1 355 . 1 . 1 381 381 THR N N 15 107.256 . . 1 . . . . . 381 T N . 52394 1 356 . 1 . 1 382 382 GLY H H 1 8.194 . . 1 . . . . . 382 G HN . 52394 1 357 . 1 . 1 382 382 GLY C C 13 172.434 . . 1 . . . . . 382 G C . 52394 1 358 . 1 . 1 382 382 GLY CA C 13 44.739 . . 1 . . . . . 382 G CA . 52394 1 359 . 1 . 1 382 382 GLY N N 15 112.097 . . 1 . . . . . 382 G N . 52394 1 360 . 1 . 1 383 383 GLU H H 1 6.894 . . 1 . . . . . 383 E HN . 52394 1 361 . 1 . 1 383 383 GLU C C 13 174.999 . . 1 . . . . . 383 E C . 52394 1 362 . 1 . 1 383 383 GLU CA C 13 55.309 . . 1 . . . . . 383 E CA . 52394 1 363 . 1 . 1 383 383 GLU CB C 13 31.396 . . 1 . . . . . 383 E CB . 52394 1 364 . 1 . 1 383 383 GLU N N 15 116.888 . . 1 . . . . . 383 E N . 52394 1 365 . 1 . 1 384 384 ILE H H 1 8.000 . . 1 . . . . . 384 I HN . 52394 1 366 . 1 . 1 384 384 ILE C C 13 175.725 . . 1 . . . . . 384 I C . 52394 1 367 . 1 . 1 384 384 ILE CA C 13 59.576 . . 1 . . . . . 384 I CA . 52394 1 368 . 1 . 1 384 384 ILE CB C 13 39.036 . . 1 . . . . . 384 I CB . 52394 1 369 . 1 . 1 384 384 ILE N N 15 120.898 . . 1 . . . . . 384 I N . 52394 1 370 . 1 . 1 385 385 LYS H H 1 8.566 . . 1 . . . . . 385 K HN . 52394 1 371 . 1 . 1 385 385 LYS C C 13 173.014 . . 1 . . . . . 385 K C . 52394 1 372 . 1 . 1 385 385 LYS CA C 13 54.847 . . 1 . . . . . 385 K CA . 52394 1 373 . 1 . 1 385 385 LYS CB C 13 35.028 . . 1 . . . . . 385 K CB . 52394 1 374 . 1 . 1 385 385 LYS N N 15 124.659 . . 1 . . . . . 385 K N . 52394 1 375 . 1 . 1 386 386 ASP H H 1 8.003 . . 1 . . . . . 386 D HN . 52394 1 376 . 1 . 1 386 386 ASP C C 13 173.982 . . 1 . . . . . 386 D C . 52394 1 377 . 1 . 1 386 386 ASP CA C 13 51.538 . . 1 . . . . . 386 D CA . 52394 1 378 . 1 . 1 386 386 ASP CB C 13 42.311 . . 1 . . . . . 386 D CB . 52394 1 379 . 1 . 1 386 386 ASP N N 15 120.306 . . 1 . . . . . 386 D N . 52394 1 380 . 1 . 1 387 387 ILE H H 1 8.325 . . 1 . . . . . 387 I HN . 52394 1 381 . 1 . 1 387 387 ILE C C 13 174.011 . . 1 . . . . . 387 I C . 52394 1 382 . 1 . 1 387 387 ILE CA C 13 58.683 . . 1 . . . . . 387 I CA . 52394 1 383 . 1 . 1 387 387 ILE CB C 13 42.608 . . 1 . . . . . 387 I CB . 52394 1 384 . 1 . 1 387 387 ILE N N 15 115.003 . . 1 . . . . . 387 I N . 52394 1 385 . 1 . 1 388 388 ALA H H 1 8.106 . . 1 . . . . . 388 A HN . 52394 1 386 . 1 . 1 388 388 ALA C C 13 178.697 . . 1 . . . . . 388 A C . 52394 1 387 . 1 . 1 388 388 ALA CA C 13 52.369 . . 1 . . . . . 388 A CA . 52394 1 388 . 1 . 1 388 388 ALA CB C 13 17.489 . . 1 . . . . . 388 A CB . 52394 1 389 . 1 . 1 388 388 ALA N N 15 124.778 . . 1 . . . . . 388 A N . 52394 1 390 . 1 . 1 389 389 LYS H H 1 8.580 . . 1 . . . . . 389 K HN . 52394 1 391 . 1 . 1 389 389 LYS CA C 13 58.782 . . 1 . . . . . 389 K CA . 52394 1 392 . 1 . 1 389 389 LYS CB C 13 33.976 . . 1 . . . . . 389 K CB . 52394 1 393 . 1 . 1 389 389 LYS N N 15 121.220 . . 1 . . . . . 389 K N . 52394 1 394 . 1 . 1 390 390 SER H H 1 7.008 . . 1 . . . . . 390 S HN . 52394 1 395 . 1 . 1 390 390 SER CA C 13 57.423 . . 1 . . . . . 390 S CA . 52394 1 396 . 1 . 1 390 390 SER CB C 13 63.468 . . 1 . . . . . 390 S CB . 52394 1 397 . 1 . 1 390 390 SER N N 15 102.821 . . 1 . . . . . 390 S N . 52394 1 398 . 1 . 1 391 391 LYS H H 1 7.754 . . 1 . . . . . 391 K HN . 52394 1 399 . 1 . 1 391 391 LYS C C 13 172.898 . . 1 . . . . . 391 K C . 52394 1 400 . 1 . 1 391 391 LYS CA C 13 55.441 . . 1 . . . . . 391 K CA . 52394 1 401 . 1 . 1 391 391 LYS CB C 13 30.866 . . 1 . . . . . 391 K CB . 52394 1 402 . 1 . 1 391 391 LYS N N 15 124.116 . . 1 . . . . . 391 K N . 52394 1 403 . 1 . 1 392 392 THR H H 1 7.124 . . 1 . . . . . 392 T HN . 52394 1 404 . 1 . 1 392 392 THR C C 13 173.971 . . 1 . . . . . 392 T C . 52394 1 405 . 1 . 1 392 392 THR CA C 13 59.009 . . 1 . . . . . 392 T CA . 52394 1 406 . 1 . 1 392 392 THR CB C 13 71.593 . . 1 . . . . . 392 T CB . 52394 1 407 . 1 . 1 392 392 THR N N 15 101.865 . . 1 . . . . . 392 T N . 52394 1 408 . 1 . 1 393 393 ALA H H 1 8.434 . . 1 . . . . . 393 A HN . 52394 1 409 . 1 . 1 393 393 ALA C C 13 173.808 . . 1 . . . . . 393 A C . 52394 1 410 . 1 . 1 393 393 ALA CA C 13 50.289 . . 1 . . . . . 393 A CA . 52394 1 411 . 1 . 1 393 393 ALA CB C 13 16.993 . . 1 . . . . . 393 A CB . 52394 1 412 . 1 . 1 393 393 ALA N N 15 120.961 . . 1 . . . . . 393 A N . 52394 1 413 . 1 . 1 394 394 ALA H H 1 7.484 . . 1 . . . . . 394 A HN . 52394 1 414 . 1 . 1 394 394 ALA C C 13 175.826 . . 1 . . . . . 394 A C . 52394 1 415 . 1 . 1 394 394 ALA CA C 13 50.883 . . 1 . . . . . 394 A CA . 52394 1 416 . 1 . 1 394 394 ALA CB C 13 19.471 . . 1 . . . . . 394 A CB . 52394 1 417 . 1 . 1 394 394 ALA N N 15 119.538 . . 1 . . . . . 394 A N . 52394 1 418 . 1 . 1 398 398 VAL H H 1 9.036 . . 1 . . . . . 398 V HN . 52394 1 419 . 1 . 1 398 398 VAL C C 13 174.522 . . 1 . . . . . 398 V C . 52394 1 420 . 1 . 1 398 398 VAL CA C 13 58.414 . . 1 . . . . . 398 V CA . 52394 1 421 . 1 . 1 398 398 VAL CB C 13 35.920 . . 1 . . . . . 398 V CB . 52394 1 422 . 1 . 1 398 398 VAL N N 15 109.318 . . 1 . . . . . 398 V N . 52394 1 423 . 1 . 1 399 399 ARG H H 1 9.144 . . 1 . . . . . 399 R HN . 52394 1 424 . 1 . 1 399 399 ARG C C 13 173.188 . . 1 . . . . . 399 R C . 52394 1 425 . 1 . 1 399 399 ARG CA C 13 54.450 . . 1 . . . . . 399 R CA . 52394 1 426 . 1 . 1 399 399 ARG CB C 13 31.461 . . 1 . . . . . 399 R CB . 52394 1 427 . 1 . 1 399 399 ARG N N 15 115.919 . . 1 . . . . . 399 R N . 52394 1 428 . 1 . 1 400 400 ALA H H 1 7.943 . . 1 . . . . . 400 A HN . 52394 1 429 . 1 . 1 400 400 ALA C C 13 176.203 . . 1 . . . . . 400 A C . 52394 1 430 . 1 . 1 400 400 ALA CA C 13 49.991 . . 1 . . . . . 400 A CA . 52394 1 431 . 1 . 1 400 400 ALA CB C 13 19.768 . . 1 . . . . . 400 A CB . 52394 1 432 . 1 . 1 400 400 ALA N N 15 123.708 . . 1 . . . . . 400 A N . 52394 1 433 . 1 . 1 401 401 PHE H H 1 8.282 . . 1 . . . . . 401 F HN . 52394 1 434 . 1 . 1 401 401 PHE C C 13 180.814 . . 1 . . . . . 401 F C . 52394 1 435 . 1 . 1 401 401 PHE CA C 13 56.730 . . 1 . . . . . 401 F CA . 52394 1 436 . 1 . 1 401 401 PHE CB C 13 41.271 . . 1 . . . . . 401 F CB . 52394 1 437 . 1 . 1 401 401 PHE N N 15 123.320 . . 1 . . . . . 401 F N . 52394 1 stop_ save_