data_27209 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27209 _Entry.Title ; 1HN, 13C, and 15N Resonance Assignments of the human DNA Ligase 3 DNA-Binding Domain (residues 257-477) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-08 _Entry.Accession_date 2017-08-08 _Entry.Last_release_date 2017-08-09 _Entry.Original_release_date 2017-08-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Braden Roth . M. . . 27209 2 Kristen Varney . M. . . 27209 3 David Weber . J. . . 27209 4 Alan Tomkinson . E. . . 27209 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27209 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Medical University of South Carolina' . 27209 2 . 'Center for Biomolecular Therapeutics' . 27209 3 . 'University of New Mexico Cancer Research Facility' . 27209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 589 27209 '15N chemical shifts' 186 27209 '1H chemical shifts' 186 27209 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-03-03 2017-08-08 update BMRB 'update entry citation' 27209 1 . . 2019-07-10 2017-08-08 original author 'original release' 27209 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3L2P . 27209 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27209 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31093909 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1HN, 13C, and 15N backbone resonance assignments of the human DNA ligase 3 DNA-binding domain (residues 257-477) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 305 _Citation.Page_last 308 _Citation.Year 2019 _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 Braden Roth B. M. . . 27209 1 2 Kristen Varney K. M. . . 27209 1 3 Hui Yang H. . . . 27209 1 4 David Weber D. J. . . 27209 1 5 Alan Tomkinson A. E. . . 27209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27209 _Assembly.ID 1 _Assembly.Name LIG3DBD _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 . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 25195.8182 _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 LIG3DBD 1 $LIG3DBD A . yes native no no . . . 27209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LIG3DBD _Entity.Sf_category entity _Entity.Sf_framecode LIG3DBD _Entity.Entry_ID 27209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LIG3DBD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SRHKDCLLREFRKLCAMVAD NPSYNTKTQIIQDFLRKGSA GDGFHGDVYLTVKLLLPGVI KTVYNLNDKQIVKLFSRIFN CNPDDMARDLEQGDVSETIR VFFEQSKSFPPAAKSLLTIQ EVDEFLLRLSKLTKEDEQQQ ALQDIASRCTANDLKCIIRL IKHDLKMNSGAKHVLDALDP NAYEAFKASRNLQDVVERVL HNAQEVEKEPGQRRALSVQA SL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residue numbering should begin with -1(S), then 256-477(RHKDC...).' _Entity.Polymer_author_seq_details 'residue 1 represents a non-native amino acid resulting from TEV cleavage of the protein from a fusion partner' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 222 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'DNA-Binding Domain' _Entity.Mutation . _Entity.EC_number 6.5.1.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25195.8182 _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 UniProt P49916 . P49916 . . . . . . . . . . . . . . 27209 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 6.5.1.1 EC 27209 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 -1 SER . 27209 1 2 257 ARG . 27209 1 3 258 HIS . 27209 1 4 259 LYS . 27209 1 5 260 ASP . 27209 1 6 261 CYS . 27209 1 7 262 LEU . 27209 1 8 263 LEU . 27209 1 9 264 ARG . 27209 1 10 265 GLU . 27209 1 11 266 PHE . 27209 1 12 267 ARG . 27209 1 13 268 LYS . 27209 1 14 269 LEU . 27209 1 15 270 CYS . 27209 1 16 271 ALA . 27209 1 17 272 MET . 27209 1 18 273 VAL . 27209 1 19 274 ALA . 27209 1 20 275 ASP . 27209 1 21 276 ASN . 27209 1 22 277 PRO . 27209 1 23 278 SER . 27209 1 24 279 TYR . 27209 1 25 280 ASN . 27209 1 26 281 THR . 27209 1 27 282 LYS . 27209 1 28 283 THR . 27209 1 29 284 GLN . 27209 1 30 285 ILE . 27209 1 31 286 ILE . 27209 1 32 287 GLN . 27209 1 33 288 ASP . 27209 1 34 289 PHE . 27209 1 35 290 LEU . 27209 1 36 291 ARG . 27209 1 37 292 LYS . 27209 1 38 293 GLY . 27209 1 39 294 SER . 27209 1 40 295 ALA . 27209 1 41 296 GLY . 27209 1 42 297 ASP . 27209 1 43 298 GLY . 27209 1 44 299 PHE . 27209 1 45 300 HIS . 27209 1 46 301 GLY . 27209 1 47 302 ASP . 27209 1 48 303 VAL . 27209 1 49 304 TYR . 27209 1 50 305 LEU . 27209 1 51 306 THR . 27209 1 52 307 VAL . 27209 1 53 308 LYS . 27209 1 54 309 LEU . 27209 1 55 310 LEU . 27209 1 56 311 LEU . 27209 1 57 312 PRO . 27209 1 58 313 GLY . 27209 1 59 314 VAL . 27209 1 60 315 ILE . 27209 1 61 316 LYS . 27209 1 62 317 THR . 27209 1 63 318 VAL . 27209 1 64 319 TYR . 27209 1 65 320 ASN . 27209 1 66 321 LEU . 27209 1 67 322 ASN . 27209 1 68 323 ASP . 27209 1 69 324 LYS . 27209 1 70 325 GLN . 27209 1 71 326 ILE . 27209 1 72 327 VAL . 27209 1 73 328 LYS . 27209 1 74 329 LEU . 27209 1 75 330 PHE . 27209 1 76 331 SER . 27209 1 77 332 ARG . 27209 1 78 333 ILE . 27209 1 79 334 PHE . 27209 1 80 335 ASN . 27209 1 81 336 CYS . 27209 1 82 337 ASN . 27209 1 83 338 PRO . 27209 1 84 339 ASP . 27209 1 85 340 ASP . 27209 1 86 341 MET . 27209 1 87 342 ALA . 27209 1 88 343 ARG . 27209 1 89 344 ASP . 27209 1 90 345 LEU . 27209 1 91 346 GLU . 27209 1 92 347 GLN . 27209 1 93 348 GLY . 27209 1 94 349 ASP . 27209 1 95 350 VAL . 27209 1 96 351 SER . 27209 1 97 352 GLU . 27209 1 98 353 THR . 27209 1 99 354 ILE . 27209 1 100 355 ARG . 27209 1 101 356 VAL . 27209 1 102 357 PHE . 27209 1 103 358 PHE . 27209 1 104 359 GLU . 27209 1 105 360 GLN . 27209 1 106 361 SER . 27209 1 107 362 LYS . 27209 1 108 363 SER . 27209 1 109 364 PHE . 27209 1 110 365 PRO . 27209 1 111 366 PRO . 27209 1 112 367 ALA . 27209 1 113 368 ALA . 27209 1 114 369 LYS . 27209 1 115 370 SER . 27209 1 116 371 LEU . 27209 1 117 372 LEU . 27209 1 118 373 THR . 27209 1 119 374 ILE . 27209 1 120 375 GLN . 27209 1 121 376 GLU . 27209 1 122 377 VAL . 27209 1 123 378 ASP . 27209 1 124 379 GLU . 27209 1 125 380 PHE . 27209 1 126 381 LEU . 27209 1 127 382 LEU . 27209 1 128 383 ARG . 27209 1 129 384 LEU . 27209 1 130 385 SER . 27209 1 131 386 LYS . 27209 1 132 387 LEU . 27209 1 133 388 THR . 27209 1 134 389 LYS . 27209 1 135 390 GLU . 27209 1 136 391 ASP . 27209 1 137 392 GLU . 27209 1 138 393 GLN . 27209 1 139 394 GLN . 27209 1 140 395 GLN . 27209 1 141 396 ALA . 27209 1 142 397 LEU . 27209 1 143 398 GLN . 27209 1 144 399 ASP . 27209 1 145 400 ILE . 27209 1 146 401 ALA . 27209 1 147 402 SER . 27209 1 148 403 ARG . 27209 1 149 404 CYS . 27209 1 150 405 THR . 27209 1 151 406 ALA . 27209 1 152 407 ASN . 27209 1 153 408 ASP . 27209 1 154 409 LEU . 27209 1 155 410 LYS . 27209 1 156 411 CYS . 27209 1 157 412 ILE . 27209 1 158 413 ILE . 27209 1 159 414 ARG . 27209 1 160 415 LEU . 27209 1 161 416 ILE . 27209 1 162 417 LYS . 27209 1 163 418 HIS . 27209 1 164 419 ASP . 27209 1 165 420 LEU . 27209 1 166 421 LYS . 27209 1 167 422 MET . 27209 1 168 423 ASN . 27209 1 169 424 SER . 27209 1 170 425 GLY . 27209 1 171 426 ALA . 27209 1 172 427 LYS . 27209 1 173 428 HIS . 27209 1 174 429 VAL . 27209 1 175 430 LEU . 27209 1 176 431 ASP . 27209 1 177 432 ALA . 27209 1 178 433 LEU . 27209 1 179 434 ASP . 27209 1 180 435 PRO . 27209 1 181 436 ASN . 27209 1 182 437 ALA . 27209 1 183 438 TYR . 27209 1 184 439 GLU . 27209 1 185 440 ALA . 27209 1 186 441 PHE . 27209 1 187 442 LYS . 27209 1 188 443 ALA . 27209 1 189 444 SER . 27209 1 190 445 ARG . 27209 1 191 446 ASN . 27209 1 192 447 LEU . 27209 1 193 448 GLN . 27209 1 194 449 ASP . 27209 1 195 450 VAL . 27209 1 196 451 VAL . 27209 1 197 452 GLU . 27209 1 198 453 ARG . 27209 1 199 454 VAL . 27209 1 200 455 LEU . 27209 1 201 456 HIS . 27209 1 202 457 ASN . 27209 1 203 458 ALA . 27209 1 204 459 GLN . 27209 1 205 460 GLU . 27209 1 206 461 VAL . 27209 1 207 462 GLU . 27209 1 208 463 LYS . 27209 1 209 464 GLU . 27209 1 210 465 PRO . 27209 1 211 466 GLY . 27209 1 212 467 GLN . 27209 1 213 468 ARG . 27209 1 214 469 ARG . 27209 1 215 470 ALA . 27209 1 216 471 LEU . 27209 1 217 472 SER . 27209 1 218 473 VAL . 27209 1 219 474 GLN . 27209 1 220 475 ALA . 27209 1 221 476 SER . 27209 1 222 477 LEU . 27209 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 . SER 1 1 27209 1 . ARG 2 2 27209 1 . HIS 3 3 27209 1 . LYS 4 4 27209 1 . ASP 5 5 27209 1 . CYS 6 6 27209 1 . LEU 7 7 27209 1 . LEU 8 8 27209 1 . ARG 9 9 27209 1 . GLU 10 10 27209 1 . PHE 11 11 27209 1 . ARG 12 12 27209 1 . LYS 13 13 27209 1 . LEU 14 14 27209 1 . CYS 15 15 27209 1 . ALA 16 16 27209 1 . MET 17 17 27209 1 . VAL 18 18 27209 1 . ALA 19 19 27209 1 . ASP 20 20 27209 1 . ASN 21 21 27209 1 . PRO 22 22 27209 1 . SER 23 23 27209 1 . TYR 24 24 27209 1 . ASN 25 25 27209 1 . THR 26 26 27209 1 . LYS 27 27 27209 1 . THR 28 28 27209 1 . GLN 29 29 27209 1 . ILE 30 30 27209 1 . ILE 31 31 27209 1 . GLN 32 32 27209 1 . ASP 33 33 27209 1 . PHE 34 34 27209 1 . LEU 35 35 27209 1 . ARG 36 36 27209 1 . LYS 37 37 27209 1 . GLY 38 38 27209 1 . SER 39 39 27209 1 . ALA 40 40 27209 1 . GLY 41 41 27209 1 . ASP 42 42 27209 1 . GLY 43 43 27209 1 . PHE 44 44 27209 1 . HIS 45 45 27209 1 . GLY 46 46 27209 1 . ASP 47 47 27209 1 . VAL 48 48 27209 1 . TYR 49 49 27209 1 . LEU 50 50 27209 1 . THR 51 51 27209 1 . VAL 52 52 27209 1 . LYS 53 53 27209 1 . LEU 54 54 27209 1 . LEU 55 55 27209 1 . LEU 56 56 27209 1 . PRO 57 57 27209 1 . GLY 58 58 27209 1 . VAL 59 59 27209 1 . ILE 60 60 27209 1 . LYS 61 61 27209 1 . THR 62 62 27209 1 . VAL 63 63 27209 1 . TYR 64 64 27209 1 . ASN 65 65 27209 1 . LEU 66 66 27209 1 . ASN 67 67 27209 1 . ASP 68 68 27209 1 . LYS 69 69 27209 1 . GLN 70 70 27209 1 . ILE 71 71 27209 1 . VAL 72 72 27209 1 . LYS 73 73 27209 1 . LEU 74 74 27209 1 . PHE 75 75 27209 1 . SER 76 76 27209 1 . ARG 77 77 27209 1 . ILE 78 78 27209 1 . PHE 79 79 27209 1 . ASN 80 80 27209 1 . CYS 81 81 27209 1 . ASN 82 82 27209 1 . PRO 83 83 27209 1 . ASP 84 84 27209 1 . ASP 85 85 27209 1 . MET 86 86 27209 1 . ALA 87 87 27209 1 . ARG 88 88 27209 1 . ASP 89 89 27209 1 . LEU 90 90 27209 1 . GLU 91 91 27209 1 . GLN 92 92 27209 1 . GLY 93 93 27209 1 . ASP 94 94 27209 1 . VAL 95 95 27209 1 . SER 96 96 27209 1 . GLU 97 97 27209 1 . THR 98 98 27209 1 . ILE 99 99 27209 1 . ARG 100 100 27209 1 . VAL 101 101 27209 1 . PHE 102 102 27209 1 . PHE 103 103 27209 1 . GLU 104 104 27209 1 . GLN 105 105 27209 1 . SER 106 106 27209 1 . LYS 107 107 27209 1 . SER 108 108 27209 1 . PHE 109 109 27209 1 . PRO 110 110 27209 1 . PRO 111 111 27209 1 . ALA 112 112 27209 1 . ALA 113 113 27209 1 . LYS 114 114 27209 1 . SER 115 115 27209 1 . LEU 116 116 27209 1 . LEU 117 117 27209 1 . THR 118 118 27209 1 . ILE 119 119 27209 1 . GLN 120 120 27209 1 . GLU 121 121 27209 1 . VAL 122 122 27209 1 . ASP 123 123 27209 1 . GLU 124 124 27209 1 . PHE 125 125 27209 1 . LEU 126 126 27209 1 . LEU 127 127 27209 1 . ARG 128 128 27209 1 . LEU 129 129 27209 1 . SER 130 130 27209 1 . LYS 131 131 27209 1 . LEU 132 132 27209 1 . THR 133 133 27209 1 . LYS 134 134 27209 1 . GLU 135 135 27209 1 . ASP 136 136 27209 1 . GLU 137 137 27209 1 . GLN 138 138 27209 1 . GLN 139 139 27209 1 . GLN 140 140 27209 1 . ALA 141 141 27209 1 . LEU 142 142 27209 1 . GLN 143 143 27209 1 . ASP 144 144 27209 1 . ILE 145 145 27209 1 . ALA 146 146 27209 1 . SER 147 147 27209 1 . ARG 148 148 27209 1 . CYS 149 149 27209 1 . THR 150 150 27209 1 . ALA 151 151 27209 1 . ASN 152 152 27209 1 . ASP 153 153 27209 1 . LEU 154 154 27209 1 . LYS 155 155 27209 1 . CYS 156 156 27209 1 . ILE 157 157 27209 1 . ILE 158 158 27209 1 . ARG 159 159 27209 1 . LEU 160 160 27209 1 . ILE 161 161 27209 1 . LYS 162 162 27209 1 . HIS 163 163 27209 1 . ASP 164 164 27209 1 . LEU 165 165 27209 1 . LYS 166 166 27209 1 . MET 167 167 27209 1 . ASN 168 168 27209 1 . SER 169 169 27209 1 . GLY 170 170 27209 1 . ALA 171 171 27209 1 . LYS 172 172 27209 1 . HIS 173 173 27209 1 . VAL 174 174 27209 1 . LEU 175 175 27209 1 . ASP 176 176 27209 1 . ALA 177 177 27209 1 . LEU 178 178 27209 1 . ASP 179 179 27209 1 . PRO 180 180 27209 1 . ASN 181 181 27209 1 . ALA 182 182 27209 1 . TYR 183 183 27209 1 . GLU 184 184 27209 1 . ALA 185 185 27209 1 . PHE 186 186 27209 1 . LYS 187 187 27209 1 . ALA 188 188 27209 1 . SER 189 189 27209 1 . ARG 190 190 27209 1 . ASN 191 191 27209 1 . LEU 192 192 27209 1 . GLN 193 193 27209 1 . ASP 194 194 27209 1 . VAL 195 195 27209 1 . VAL 196 196 27209 1 . GLU 197 197 27209 1 . ARG 198 198 27209 1 . VAL 199 199 27209 1 . LEU 200 200 27209 1 . HIS 201 201 27209 1 . ASN 202 202 27209 1 . ALA 203 203 27209 1 . GLN 204 204 27209 1 . GLU 205 205 27209 1 . VAL 206 206 27209 1 . GLU 207 207 27209 1 . LYS 208 208 27209 1 . GLU 209 209 27209 1 . PRO 210 210 27209 1 . GLY 211 211 27209 1 . GLN 212 212 27209 1 . ARG 213 213 27209 1 . ARG 214 214 27209 1 . ALA 215 215 27209 1 . LEU 216 216 27209 1 . SER 217 217 27209 1 . VAL 218 218 27209 1 . GLN 219 219 27209 1 . ALA 220 220 27209 1 . SER 221 221 27209 1 . LEU 222 222 27209 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27209 _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 $LIG3DBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'Ligase III DNA binding domain' 'LIG3 residues 257-477' 27209 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27209 _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 $LIG3DBD . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3)pLysS . . . . . pHGK-LIG3DBD . . 'residues 257-477' 27209 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2H-13C-15N-LIG3DBD _Sample.Sf_category sample _Sample.Sf_framecode 2H-13C-15N-LIG3DBD _Sample.Entry_ID 27209 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LIG3DBD '[U-13C; U-15N; U-2H]' . . 1 $LIG3DBD . . 0.35 . . mM . . . . 27209 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27209 1 stop_ save_ save_15N-LIG3DBD _Sample.Sf_category sample _Sample.Sf_framecode 15N-LIG3DBD _Sample.Entry_ID 27209 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 LIG3DBD '[U-13C; U-15N; U-2H]' . . 1 $LIG3DBD . . 0.69 . . mM . . . . 27209 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27209 2 stop_ save_ ####################### # Sample conditions # ####################### save_LIG3DBD_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode LIG3DBD_1 _Sample_condition_list.Entry_ID 27209 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.008 . M 27209 1 pH 6.000 . pH 27209 1 pressure 1.000 . atm 27209 1 temperature 298.000 . K 27209 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27209 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27209 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . Analysis 27209 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 950 _NMR_spectrometer.Entry_ID 27209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27209 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 950 Bruker AvanceIII . 950 . . . 27209 1 stop_ save_ save_950_1 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 950_1 _NMR_spectrometer_probe.Entry_ID 27209 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Name . _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model CPTCI _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 5.0 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 27209 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27209 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $2H-13C-15N-LIG3DBD isotropic . . 1 $LIG3DBD_1 . . . 1 $950 1 $950_1 . . . . . . . . . . . . . . 27209 1 2 '3D HNCO' no . . . . . . . . . . 1 $2H-13C-15N-LIG3DBD isotropic . . 1 $LIG3DBD_1 . . . 1 $950 1 $950_1 . . . . . . . . . . . . . . 27209 1 3 '3D HNCACB' no . . . . . . . . . . 1 $2H-13C-15N-LIG3DBD isotropic . . 1 $LIG3DBD_1 . . . 1 $950 1 $950_1 . . . . . . . . . . . . . . 27209 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $2H-13C-15N-LIG3DBD isotropic . . 1 $LIG3DBD_1 . . . 1 $950 1 $950_1 . . . . . . . . . . . . . . 27209 1 5 '8 (HNcaCO)' no . . . . . . . . . . 1 $2H-13C-15N-LIG3DBD isotropic . . 1 $LIG3DBD_1 . . . 1 $950 1 $950_1 . . . . . . . . . . . . . . 27209 1 6 '6 (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $2H-13C-15N-LIG3DBD isotropic . . 1 $LIG3DBD_1 . . . 1 $950 1 $950_1 . . . . . . . . . . . . . . 27209 1 7 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 2 $15N-LIG3DBD isotropic . . 1 $LIG3DBD_1 . . . 1 $950 1 $950_1 . . . . . . . . . . . . . . 27209 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27209 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 TMS N . . . . ppm 0.000 na indirect 0.251449530 950 . . . . 27209 1 H 1 TMS H . . . . ppm 4.698 external indirect 1.000000000 950 . . . . 27209 1 N 15 TMS C . . . . ppm 0.000 na indirect 0.101329118 950 . . . . 27209 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27209 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $LIG3DBD_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '3D HNCA' . . . 27209 1 2 '3D HNCO' . . . 27209 1 3 '3D HNCACB' . . . 27209 1 4 '3D HN(CO)CA' . . . 27209 1 5 '8 (HNcaCO)' . . . 27209 1 6 '6 (H[N[co[{CA|ca[C]}]]])' . . . 27209 1 7 '2D 1H-15N HSQC/HMQC' . . . 27209 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 $CcpNmr_Analysis . . 27209 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 8 8 LEU H H 1 9.318 0.002 . 1 . . 207 . . 263 LEU H . 27209 1 2 . 1 . 1 8 8 LEU C C 13 178.272 0.014 . 1 . . 699 . . 263 LEU C . 27209 1 3 . 1 . 1 8 8 LEU CA C 13 56.792 0.004 . 1 . . 698 . . 263 LEU CA . 27209 1 4 . 1 . 1 8 8 LEU CB C 13 40.055 0.041 . 1 . . 697 . . 263 LEU CB . 27209 1 5 . 1 . 1 8 8 LEU N N 15 127.586 0.013 . 1 . . 208 . . 263 LEU N . 27209 1 6 . 1 . 1 9 9 ARG H H 1 9.916 0.003 . 1 . . 323 . . 264 ARG H . 27209 1 7 . 1 . 1 9 9 ARG C C 13 178.033 0.013 . 1 . . 868 . . 264 ARG C . 27209 1 8 . 1 . 1 9 9 ARG CA C 13 58.725 0.007 . 1 . . 870 . . 264 ARG CA . 27209 1 9 . 1 . 1 9 9 ARG CB C 13 27.744 0.01 . 1 . . 869 . . 264 ARG CB . 27209 1 10 . 1 . 1 9 9 ARG N N 15 119.147 0.011 . 1 . . 324 . . 264 ARG N . 27209 1 11 . 1 . 1 10 10 GLU H H 1 6.873 0.003 . 1 . . 103 . . 265 GLU H . 27209 1 12 . 1 . 1 10 10 GLU C C 13 178.070 0.014 . 1 . . 536 . . 265 GLU C . 27209 1 13 . 1 . 1 10 10 GLU CA C 13 57.202 0.026 . 1 . . 538 . . 265 GLU CA . 27209 1 14 . 1 . 1 10 10 GLU CB C 13 27.630 . . 1 . . 537 . . 265 GLU CB . 27209 1 15 . 1 . 1 10 10 GLU N N 15 120.067 0.026 . 1 . . 104 . . 265 GLU N . 27209 1 16 . 1 . 1 11 11 PHE H H 1 7.813 0.001 . 1 . . 243 . . 266 PHE H . 27209 1 17 . 1 . 1 11 11 PHE C C 13 176.860 0.005 . 1 . . 744 . . 266 PHE C . 27209 1 18 . 1 . 1 11 11 PHE CA C 13 60.900 0.008 . 1 . . 746 . . 266 PHE CA . 27209 1 19 . 1 . 1 11 11 PHE CB C 13 38.333 0.014 . 1 . . 745 . . 266 PHE CB . 27209 1 20 . 1 . 1 11 11 PHE N N 15 124.510 0.021 . 1 . . 244 . . 266 PHE N . 27209 1 21 . 1 . 1 12 12 ARG H H 1 9.123 0.003 . 1 . . 141 . . 267 ARG H . 27209 1 22 . 1 . 1 12 12 ARG C C 13 178.858 0.003 . 1 . . 596 . . 267 ARG C . 27209 1 23 . 1 . 1 12 12 ARG CA C 13 59.584 0.005 . 1 . . 598 . . 267 ARG CA . 27209 1 24 . 1 . 1 12 12 ARG CB C 13 29.616 0.01 . 1 . . 597 . . 267 ARG CB . 27209 1 25 . 1 . 1 12 12 ARG N N 15 117.984 0.01 . 1 . . 142 . . 267 ARG N . 27209 1 26 . 1 . 1 13 13 LYS H H 1 7.252 0.003 . 1 . . 219 . . 268 LYS H . 27209 1 27 . 1 . 1 13 13 LYS C C 13 177.410 0.004 . 1 . . 714 . . 268 LYS C . 27209 1 28 . 1 . 1 13 13 LYS CA C 13 58.593 0.004 . 1 . . 716 . . 268 LYS CA . 27209 1 29 . 1 . 1 13 13 LYS CB C 13 30.427 0.013 . 1 . . 715 . . 268 LYS CB . 27209 1 30 . 1 . 1 13 13 LYS N N 15 123.037 0.009 . 1 . . 220 . . 268 LYS N . 27209 1 31 . 1 . 1 14 14 LEU H H 1 7.279 0.002 . 1 . . 319 . . 269 LEU H . 27209 1 32 . 1 . 1 14 14 LEU C C 13 177.423 . . 1 . . 861 . . 269 LEU C . 27209 1 33 . 1 . 1 14 14 LEU CA C 13 57.078 0.01 . 1 . . 864 . . 269 LEU CA . 27209 1 34 . 1 . 1 14 14 LEU CB C 13 38.509 0.014 . 1 . . 863 . . 269 LEU CB . 27209 1 35 . 1 . 1 14 14 LEU N N 15 121.961 0.012 . 1 . . 320 . . 269 LEU N . 27209 1 36 . 1 . 1 15 15 CYS H H 1 7.661 0.003 . 1 . . 837 . . 270 CYS H . 27209 1 37 . 1 . 1 15 15 CYS C C 13 176.700 0.01 . 1 . . 905 . . 270 CYS C . 27209 1 38 . 1 . 1 15 15 CYS CA C 13 62.447 0.001 . 1 . . 839 . . 270 CYS CA . 27209 1 39 . 1 . 1 15 15 CYS CB C 13 26.043 0.003 . 1 . . 841 . . 270 CYS CB . 27209 1 40 . 1 . 1 15 15 CYS N N 15 115.662 0.022 . 1 . . 838 . . 270 CYS N . 27209 1 41 . 1 . 1 16 16 ALA H H 1 7.668 0.002 . 1 . . 303 . . 271 ALA H . 27209 1 42 . 1 . 1 16 16 ALA C C 13 178.965 0.003 . 1 . . 834 . . 271 ALA C . 27209 1 43 . 1 . 1 16 16 ALA CA C 13 53.830 0.006 . 1 . . 836 . . 271 ALA CA . 27209 1 44 . 1 . 1 16 16 ALA CB C 13 16.630 0.001 . 1 . . 835 . . 271 ALA CB . 27209 1 45 . 1 . 1 16 16 ALA N N 15 121.996 0.033 . 1 . . 304 . . 271 ALA N . 27209 1 46 . 1 . 1 17 17 MET H H 1 7.818 0.002 . 1 . . 5 . . 272 MET H . 27209 1 47 . 1 . 1 17 17 MET C C 13 178.877 0.017 . 1 . . 344 . . 272 MET C . 27209 1 48 . 1 . 1 17 17 MET CA C 13 58.166 0.002 . 1 . . 346 . . 272 MET CA . 27209 1 49 . 1 . 1 17 17 MET CB C 13 32.167 . . 1 . . 345 . . 272 MET CB . 27209 1 50 . 1 . 1 17 17 MET N N 15 118.164 0.016 . 1 . . 6 . . 272 MET N . 27209 1 51 . 1 . 1 18 18 VAL H H 1 8.151 0.002 . 1 . . 117 . . 273 VAL H . 27209 1 52 . 1 . 1 18 18 VAL C C 13 178.047 0.008 . 1 . . 557 . . 273 VAL C . 27209 1 53 . 1 . 1 18 18 VAL CA C 13 66.142 0.002 . 1 . . 559 . . 273 VAL CA . 27209 1 54 . 1 . 1 18 18 VAL CB C 13 30.381 0.103 . 1 . . 558 . . 273 VAL CB . 27209 1 55 . 1 . 1 18 18 VAL N N 15 119.931 0.033 . 1 . . 118 . . 273 VAL N . 27209 1 56 . 1 . 1 19 19 ALA H H 1 8.191 0.003 . 1 . . 407 . . 274 ALA H . 27209 1 57 . 1 . 1 19 19 ALA C C 13 178.413 0.002 . 1 . . 411 . . 274 ALA C . 27209 1 58 . 1 . 1 19 19 ALA CA C 13 53.705 0.008 . 1 . . 409 . . 274 ALA CA . 27209 1 59 . 1 . 1 19 19 ALA CB C 13 17.601 0.005 . 1 . . 410 . . 274 ALA CB . 27209 1 60 . 1 . 1 19 19 ALA N N 15 121.273 0.025 . 1 . . 408 . . 274 ALA N . 27209 1 61 . 1 . 1 20 20 ASP H H 1 7.501 0.002 . 1 . . 165 . . 275 ASP H . 27209 1 62 . 1 . 1 20 20 ASP C C 13 174.916 0.002 . 1 . . 633 . . 275 ASP C . 27209 1 63 . 1 . 1 20 20 ASP CA C 13 54.170 0.007 . 1 . . 635 . . 275 ASP CA . 27209 1 64 . 1 . 1 20 20 ASP CB C 13 40.454 0.007 . 1 . . 634 . . 275 ASP CB . 27209 1 65 . 1 . 1 20 20 ASP N N 15 115.393 0.015 . 1 . . 166 . . 275 ASP N . 27209 1 66 . 1 . 1 21 21 ASN H H 1 7.138 0.002 . 1 . . 235 . . 276 ASN H . 27209 1 67 . 1 . 1 21 21 ASN C C 13 172.747 . . 1 . . 355 . . 276 ASN C . 27209 1 68 . 1 . 1 21 21 ASN CA C 13 50.028 . . 1 . . 357 . . 276 ASN CA . 27209 1 69 . 1 . 1 21 21 ASN CB C 13 40.365 . . 1 . . 356 . . 276 ASN CB . 27209 1 70 . 1 . 1 21 21 ASN N N 15 120.850 0.012 . 1 . . 236 . . 276 ASN N . 27209 1 71 . 1 . 1 22 22 PRO CA C 13 62.710 . . 1 . . 956 . . 277 PRO CA . 27209 1 72 . 1 . 1 22 22 PRO CB C 13 31.022 . . 1 . . 955 . . 277 PRO CB . 27209 1 73 . 1 . 1 23 23 SER H H 1 7.849 0.002 . 1 . . 119 . . 278 SER H . 27209 1 74 . 1 . 1 23 23 SER C C 13 175.427 . . 1 . . 560 . . 278 SER C . 27209 1 75 . 1 . 1 23 23 SER CA C 13 56.182 . . 1 . . 562 . . 278 SER CA . 27209 1 76 . 1 . 1 23 23 SER CB C 13 62.626 . . 1 . . 561 . . 278 SER CB . 27209 1 77 . 1 . 1 23 23 SER N N 15 114.347 0.013 . 1 . . 120 . . 278 SER N . 27209 1 78 . 1 . 1 27 27 LYS C C 13 177.455 . . 1 . . 954 . . 282 LYS C . 27209 1 79 . 1 . 1 27 27 LYS CA C 13 60.764 . . 1 . . 952 . . 282 LYS CA . 27209 1 80 . 1 . 1 27 27 LYS CB C 13 32.006 . . 1 . . 953 . . 282 LYS CB . 27209 1 81 . 1 . 1 28 28 THR H H 1 7.694 0.002 . 1 . . 63 . . 283 THR H . 27209 1 82 . 1 . 1 28 28 THR C C 13 174.859 0.004 . 1 . . 460 . . 283 THR C . 27209 1 83 . 1 . 1 28 28 THR CA C 13 66.812 0.003 . 1 . . 462 . . 283 THR CA . 27209 1 84 . 1 . 1 28 28 THR CB C 13 68.420 0.01 . 1 . . 461 . . 283 THR CB . 27209 1 85 . 1 . 1 28 28 THR N N 15 113.533 0.033 . 1 . . 64 . . 283 THR N . 27209 1 86 . 1 . 1 29 29 GLN H H 1 7.622 0.003 . 1 . . 57 . . 284 GLN H . 27209 1 87 . 1 . 1 29 29 GLN C C 13 177.120 0.0 . 1 . . 446 . . 284 GLN C . 27209 1 88 . 1 . 1 29 29 GLN CA C 13 57.959 0.002 . 1 . . 448 . . 284 GLN CA . 27209 1 89 . 1 . 1 29 29 GLN CB C 13 27.349 0.019 . 1 . . 447 . . 284 GLN CB . 27209 1 90 . 1 . 1 29 29 GLN N N 15 122.436 0.024 . 1 . . 58 . . 284 GLN N . 27209 1 91 . 1 . 1 30 30 ILE H H 1 8.397 0.003 . 1 . . 378 . . 285 ILE H . 27209 1 92 . 1 . 1 30 30 ILE C C 13 179.048 0.001 . 1 . . 916 . . 285 ILE C . 27209 1 93 . 1 . 1 30 30 ILE CA C 13 64.191 0.003 . 1 . . 380 . . 285 ILE CA . 27209 1 94 . 1 . 1 30 30 ILE CB C 13 36.999 0.009 . 1 . . 381 . . 285 ILE CB . 27209 1 95 . 1 . 1 30 30 ILE N N 15 121.149 0.019 . 1 . . 379 . . 285 ILE N . 27209 1 96 . 1 . 1 31 31 ILE H H 1 7.567 0.003 . 1 . . 7 . . 286 ILE H . 27209 1 97 . 1 . 1 31 31 ILE C C 13 176.490 0.01 . 1 . . 347 . . 286 ILE C . 27209 1 98 . 1 . 1 31 31 ILE CA C 13 64.971 0.0 . 1 . . 349 . . 286 ILE CA . 27209 1 99 . 1 . 1 31 31 ILE CB C 13 36.735 0.042 . 1 . . 348 . . 286 ILE CB . 27209 1 100 . 1 . 1 31 31 ILE N N 15 121.275 0.017 . 1 . . 8 . . 286 ILE N . 27209 1 101 . 1 . 1 32 32 GLN H H 1 8.833 0.003 . 1 . . 11 . . 287 GLN H . 27209 1 102 . 1 . 1 32 32 GLN C C 13 177.156 0.002 . 1 . . 361 . . 287 GLN C . 27209 1 103 . 1 . 1 32 32 GLN CA C 13 59.228 0.009 . 1 . . 363 . . 287 GLN CA . 27209 1 104 . 1 . 1 32 32 GLN CB C 13 29.013 0.0 . 1 . . 362 . . 287 GLN CB . 27209 1 105 . 1 . 1 32 32 GLN N N 15 121.806 0.015 . 1 . . 12 . . 287 GLN N . 27209 1 106 . 1 . 1 33 33 ASP H H 1 8.693 0.003 . 1 . . 500 . . 288 ASP H . 27209 1 107 . 1 . 1 33 33 ASP C C 13 178.151 0.005 . 1 . . 502 . . 288 ASP C . 27209 1 108 . 1 . 1 33 33 ASP CA C 13 56.512 0.008 . 1 . . 504 . . 288 ASP CA . 27209 1 109 . 1 . 1 33 33 ASP CB C 13 39.231 0.005 . 1 . . 503 . . 288 ASP CB . 27209 1 110 . 1 . 1 33 33 ASP N N 15 119.099 0.022 . 1 . . 501 . . 288 ASP N . 27209 1 111 . 1 . 1 34 34 PHE H H 1 7.690 0.003 . 1 . . 809 . . 289 PHE H . 27209 1 112 . 1 . 1 34 34 PHE CA C 13 61.220 . . 1 . . 811 . . 289 PHE CA . 27209 1 113 . 1 . 1 34 34 PHE CB C 13 39.010 . . 1 . . 815 . . 289 PHE CB . 27209 1 114 . 1 . 1 34 34 PHE N N 15 122.596 0.02 . 1 . . 810 . . 289 PHE N . 27209 1 115 . 1 . 1 37 37 LYS C C 13 176.915 . . 1 . . 959 . . 292 LYS C . 27209 1 116 . 1 . 1 37 37 LYS CA C 13 56.180 . . 1 . . 957 . . 292 LYS CA . 27209 1 117 . 1 . 1 37 37 LYS CB C 13 32.141 . . 1 . . 958 . . 292 LYS CB . 27209 1 118 . 1 . 1 38 38 GLY H H 1 7.927 0.002 . 1 . . 33 . . 293 GLY H . 27209 1 119 . 1 . 1 38 38 GLY C C 13 173.355 . . 1 . . 402 . . 293 GLY C . 27209 1 120 . 1 . 1 38 38 GLY CA C 13 44.236 . . 1 . . 403 . . 293 GLY CA . 27209 1 121 . 1 . 1 38 38 GLY N N 15 108.362 0.042 . 1 . . 34 . . 293 GLY N . 27209 1 122 . 1 . 1 41 41 GLY C C 13 173.351 . . 1 . . 967 . . 296 GLY C . 27209 1 123 . 1 . 1 41 41 GLY CA C 13 45.240 . . 1 . . 966 . . 296 GLY CA . 27209 1 124 . 1 . 1 42 42 ASP H H 1 8.114 0.002 . 1 . . 225 . . 297 ASP H . 27209 1 125 . 1 . 1 42 42 ASP C C 13 175.688 0.006 . 1 . . 725 . . 297 ASP C . 27209 1 126 . 1 . 1 42 42 ASP CA C 13 52.501 0.001 . 1 . . 723 . . 297 ASP CA . 27209 1 127 . 1 . 1 42 42 ASP CB C 13 39.703 . . 1 . . 724 . . 297 ASP CB . 27209 1 128 . 1 . 1 42 42 ASP N N 15 118.949 0.069 . 1 . . 226 . . 297 ASP N . 27209 1 129 . 1 . 1 43 43 GLY H H 1 8.088 0.001 . 1 . . 151 . . 298 GLY H . 27209 1 130 . 1 . 1 43 43 GLY CA C 13 43.406 . . 1 . . 611 . . 298 GLY CA . 27209 1 131 . 1 . 1 43 43 GLY N N 15 110.462 0.021 . 1 . . 152 . . 298 GLY N . 27209 1 132 . 1 . 1 48 48 VAL C C 13 178.558 . . 1 . . 962 . . 303 VAL C . 27209 1 133 . 1 . 1 48 48 VAL CA C 13 63.921 . . 1 . . 960 . . 303 VAL CA . 27209 1 134 . 1 . 1 48 48 VAL CB C 13 29.826 . . 1 . . 961 . . 303 VAL CB . 27209 1 135 . 1 . 1 49 49 TYR H H 1 8.022 0.003 . 1 . . 97 . . 304 TYR H . 27209 1 136 . 1 . 1 49 49 TYR C C 13 178.602 . . 1 . . 523 . . 304 TYR C . 27209 1 137 . 1 . 1 49 49 TYR CA C 13 56.285 . . 1 . . 525 . . 304 TYR CA . 27209 1 138 . 1 . 1 49 49 TYR CB C 13 38.770 . . 1 . . 524 . . 304 TYR CB . 27209 1 139 . 1 . 1 49 49 TYR N N 15 121.027 0.009 . 1 . . 98 . . 304 TYR N . 27209 1 140 . 1 . 1 51 51 THR C C 13 174.529 . . 1 . . 951 . . 306 THR C . 27209 1 141 . 1 . 1 51 51 THR CA C 13 67.537 . . 1 . . 950 . . 306 THR CA . 27209 1 142 . 1 . 1 52 52 VAL H H 1 7.834 0.003 . 1 . . 944 . . 307 VAL H . 27209 1 143 . 1 . 1 52 52 VAL C C 13 175.559 0.013 . 1 . . 949 . . 307 VAL C . 27209 1 144 . 1 . 1 52 52 VAL CA C 13 66.014 0.002 . 1 . . 947 . . 307 VAL CA . 27209 1 145 . 1 . 1 52 52 VAL CB C 13 29.794 0.029 . 1 . . 948 . . 307 VAL CB . 27209 1 146 . 1 . 1 52 52 VAL N N 15 118.633 0.021 . 1 . . 945 . . 307 VAL N . 27209 1 147 . 1 . 1 53 53 LYS H H 1 8.345 0.002 . 1 . . 101 . . 308 LYS H . 27209 1 148 . 1 . 1 53 53 LYS C C 13 179.785 0.01 . 1 . . 533 . . 308 LYS C . 27209 1 149 . 1 . 1 53 53 LYS CA C 13 59.039 0.007 . 1 . . 535 . . 308 LYS CA . 27209 1 150 . 1 . 1 53 53 LYS CB C 13 31.151 0.025 . 1 . . 534 . . 308 LYS CB . 27209 1 151 . 1 . 1 53 53 LYS N N 15 118.250 0.02 . 1 . . 102 . . 308 LYS N . 27209 1 152 . 1 . 1 54 54 LEU H H 1 7.862 0.002 . 1 . . 161 . . 309 LEU H . 27209 1 153 . 1 . 1 54 54 LEU C C 13 176.431 0.008 . 1 . . 624 . . 309 LEU C . 27209 1 154 . 1 . 1 54 54 LEU CA C 13 56.303 0.004 . 1 . . 622 . . 309 LEU CA . 27209 1 155 . 1 . 1 54 54 LEU CB C 13 40.028 0.033 . 1 . . 623 . . 309 LEU CB . 27209 1 156 . 1 . 1 54 54 LEU N N 15 119.575 0.016 . 1 . . 162 . . 309 LEU N . 27209 1 157 . 1 . 1 55 55 LEU H H 1 7.332 0.002 . 1 . . 145 . . 310 LEU H . 27209 1 158 . 1 . 1 55 55 LEU C C 13 176.163 0.004 . 1 . . 602 . . 310 LEU C . 27209 1 159 . 1 . 1 55 55 LEU CA C 13 54.923 0.004 . 1 . . 604 . . 310 LEU CA . 27209 1 160 . 1 . 1 55 55 LEU CB C 13 42.109 0.006 . 1 . . 603 . . 310 LEU CB . 27209 1 161 . 1 . 1 55 55 LEU N N 15 114.852 0.022 . 1 . . 146 . . 310 LEU N . 27209 1 162 . 1 . 1 56 56 LEU H H 1 7.122 0.002 . 1 . . 147 . . 311 LEU H . 27209 1 163 . 1 . 1 56 56 LEU C C 13 175.020 . . 1 . . 605 . . 311 LEU C . 27209 1 164 . 1 . 1 56 56 LEU CA C 13 51.153 . . 1 . . 607 . . 311 LEU CA . 27209 1 165 . 1 . 1 56 56 LEU CB C 13 41.062 . . 1 . . 606 . . 311 LEU CB . 27209 1 166 . 1 . 1 56 56 LEU N N 15 118.447 0.01 . 1 . . 148 . . 311 LEU N . 27209 1 167 . 1 . 1 57 57 PRO C C 13 177.510 . . 1 . . 882 . . 312 PRO C . 27209 1 168 . 1 . 1 57 57 PRO CA C 13 64.406 . . 1 . . 880 . . 312 PRO CA . 27209 1 169 . 1 . 1 57 57 PRO CB C 13 30.400 . . 1 . . 881 . . 312 PRO CB . 27209 1 170 . 1 . 1 58 58 GLY H H 1 8.640 0.002 . 1 . . 125 . . 313 GLY H . 27209 1 171 . 1 . 1 58 58 GLY C C 13 173.793 0.007 . 1 . . 569 . . 313 GLY C . 27209 1 172 . 1 . 1 58 58 GLY CA C 13 44.464 0.003 . 1 . . 570 . . 313 GLY CA . 27209 1 173 . 1 . 1 58 58 GLY N N 15 108.099 0.008 . 1 . . 126 . . 313 GLY N . 27209 1 174 . 1 . 1 59 59 VAL H H 1 7.442 0.002 . 1 . . 73 . . 314 VAL H . 27209 1 175 . 1 . 1 59 59 VAL C C 13 175.696 0.004 . 1 . . 476 . . 314 VAL C . 27209 1 176 . 1 . 1 59 59 VAL CA C 13 62.627 0.003 . 1 . . 478 . . 314 VAL CA . 27209 1 177 . 1 . 1 59 59 VAL CB C 13 31.516 0.01 . 1 . . 477 . . 314 VAL CB . 27209 1 178 . 1 . 1 59 59 VAL N N 15 120.136 0.007 . 1 . . 74 . . 314 VAL N . 27209 1 179 . 1 . 1 60 60 ILE H H 1 7.611 0.002 . 1 . . 449 . . 315 ILE H . 27209 1 180 . 1 . 1 60 60 ILE C C 13 175.297 0.007 . 1 . . 451 . . 315 ILE C . 27209 1 181 . 1 . 1 60 60 ILE CA C 13 59.775 0.003 . 1 . . 453 . . 315 ILE CA . 27209 1 182 . 1 . 1 60 60 ILE CB C 13 35.024 0.019 . 1 . . 452 . . 315 ILE CB . 27209 1 183 . 1 . 1 60 60 ILE N N 15 122.279 0.012 . 1 . . 450 . . 315 ILE N . 27209 1 184 . 1 . 1 61 61 LYS H H 1 7.939 0.002 . 1 . . 205 . . 316 LYS H . 27209 1 185 . 1 . 1 61 61 LYS C C 13 175.400 0.02 . 1 . . 694 . . 316 LYS C . 27209 1 186 . 1 . 1 61 61 LYS CA C 13 55.656 0.008 . 1 . . 696 . . 316 LYS CA . 27209 1 187 . 1 . 1 61 61 LYS CB C 13 31.065 0.005 . 1 . . 695 . . 316 LYS CB . 27209 1 188 . 1 . 1 61 61 LYS N N 15 123.136 0.033 . 1 . . 206 . . 316 LYS N . 27209 1 189 . 1 . 1 62 62 THR H H 1 8.180 0.002 . 1 . . 29 . . 317 THR H . 27209 1 190 . 1 . 1 62 62 THR C C 13 172.317 0.009 . 1 . . 391 . . 317 THR C . 27209 1 191 . 1 . 1 62 62 THR CA C 13 61.844 0.0 . 1 . . 393 . . 317 THR CA . 27209 1 192 . 1 . 1 62 62 THR CB C 13 68.988 0.0 . 1 . . 392 . . 317 THR CB . 27209 1 193 . 1 . 1 62 62 THR N N 15 121.765 0.037 . 1 . . 30 . . 317 THR N . 27209 1 194 . 1 . 1 63 63 VAL H H 1 8.270 0.002 . 1 . . 223 . . 318 VAL H . 27209 1 195 . 1 . 1 63 63 VAL C C 13 174.670 . . 1 . . 720 . . 318 VAL C . 27209 1 196 . 1 . 1 63 63 VAL CA C 13 61.781 . . 1 . . 722 . . 318 VAL CA . 27209 1 197 . 1 . 1 63 63 VAL CB C 13 31.128 . . 1 . . 721 . . 318 VAL CB . 27209 1 198 . 1 . 1 63 63 VAL N N 15 126.718 0.013 . 1 . . 224 . . 318 VAL N . 27209 1 199 . 1 . 1 66 66 LEU C C 13 174.890 . . 1 . . 904 . . 321 LEU C . 27209 1 200 . 1 . 1 66 66 LEU CA C 13 52.871 . . 1 . . 903 . . 321 LEU CA . 27209 1 201 . 1 . 1 66 66 LEU CB C 13 44.825 . . 1 . . 398 . . 321 LEU CB . 27209 1 202 . 1 . 1 67 67 ASN H H 1 8.169 0.003 . 1 . . 394 . . 322 ASN H . 27209 1 203 . 1 . 1 67 67 ASN C C 13 174.915 0.008 . 1 . . 396 . . 322 ASN C . 27209 1 204 . 1 . 1 67 67 ASN CA C 13 49.935 0.004 . 1 . . 399 . . 322 ASN CA . 27209 1 205 . 1 . 1 67 67 ASN CB C 13 38.367 0.039 . 1 . . 397 . . 322 ASN CB . 27209 1 206 . 1 . 1 67 67 ASN N N 15 121.527 0.05 . 1 . . 395 . . 322 ASN N . 27209 1 207 . 1 . 1 68 68 ASP H H 1 8.528 0.002 . 1 . . 331 . . 323 ASP H . 27209 1 208 . 1 . 1 68 68 ASP C C 13 177.351 0.003 . 1 . . 584 . . 323 ASP C . 27209 1 209 . 1 . 1 68 68 ASP CA C 13 57.984 0.001 . 1 . . 586 . . 323 ASP CA . 27209 1 210 . 1 . 1 68 68 ASP CB C 13 38.905 0.028 . 1 . . 585 . . 323 ASP CB . 27209 1 211 . 1 . 1 68 68 ASP N N 15 119.960 0.012 . 1 . . 332 . . 323 ASP N . 27209 1 212 . 1 . 1 69 69 LYS H H 1 7.838 0.003 . 1 . . 129 . . 324 LYS H . 27209 1 213 . 1 . 1 69 69 LYS C C 13 179.372 0.001 . 1 . . 574 . . 324 LYS C . 27209 1 214 . 1 . 1 69 69 LYS CA C 13 58.789 . . 1 . . 576 . . 324 LYS CA . 27209 1 215 . 1 . 1 69 69 LYS CB C 13 30.282 0.036 . 1 . . 575 . . 324 LYS CB . 27209 1 216 . 1 . 1 69 69 LYS N N 15 118.420 0.013 . 1 . . 130 . . 324 LYS N . 27209 1 217 . 1 . 1 70 70 GLN H H 1 8.184 0.002 . 1 . . 35 . . 325 GLN H . 27209 1 218 . 1 . 1 70 70 GLN C C 13 177.597 . . 1 . . 901 . . 325 GLN C . 27209 1 219 . 1 . 1 70 70 GLN CA C 13 57.666 0.003 . 1 . . 406 . . 325 GLN CA . 27209 1 220 . 1 . 1 70 70 GLN CB C 13 28.597 . . 1 . . 405 . . 325 GLN CB . 27209 1 221 . 1 . 1 70 70 GLN N N 15 121.206 0.016 . 1 . . 36 . . 325 GLN N . 27209 1 222 . 1 . 1 71 71 ILE H H 1 8.386 0.002 . 1 . . 167 . . 326 ILE H . 27209 1 223 . 1 . 1 71 71 ILE C C 13 177.455 0.014 . 1 . . 636 . . 326 ILE C . 27209 1 224 . 1 . 1 71 71 ILE CA C 13 65.974 0.001 . 1 . . 638 . . 326 ILE CA . 27209 1 225 . 1 . 1 71 71 ILE CB C 13 36.595 0.029 . 1 . . 637 . . 326 ILE CB . 27209 1 226 . 1 . 1 71 71 ILE N N 15 120.457 0.038 . 1 . . 168 . . 326 ILE N . 27209 1 227 . 1 . 1 72 72 VAL H H 1 7.945 0.002 . 1 . . 131 . . 327 VAL H . 27209 1 228 . 1 . 1 72 72 VAL C C 13 176.700 0.007 . 1 . . 578 . . 327 VAL C . 27209 1 229 . 1 . 1 72 72 VAL CA C 13 65.636 0.005 . 1 . . 580 . . 327 VAL CA . 27209 1 230 . 1 . 1 72 72 VAL CB C 13 29.785 0.023 . 1 . . 579 . . 327 VAL CB . 27209 1 231 . 1 . 1 72 72 VAL N N 15 116.887 0.024 . 1 . . 132 . . 327 VAL N . 27209 1 232 . 1 . 1 73 73 LYS H H 1 7.925 0.002 . 1 . . 259 . . 328 LYS H . 27209 1 233 . 1 . 1 73 73 LYS C C 13 179.317 0.005 . 1 . . 766 . . 328 LYS C . 27209 1 234 . 1 . 1 73 73 LYS CA C 13 59.122 0.006 . 1 . . 764 . . 328 LYS CA . 27209 1 235 . 1 . 1 73 73 LYS CB C 13 30.995 0.003 . 1 . . 765 . . 328 LYS CB . 27209 1 236 . 1 . 1 73 73 LYS N N 15 122.824 0.026 . 1 . . 260 . . 328 LYS N . 27209 1 237 . 1 . 1 74 74 LEU H H 1 8.303 0.003 . 1 . . 245 . . 329 LEU H . 27209 1 238 . 1 . 1 74 74 LEU C C 13 178.901 0.011 . 1 . . 747 . . 329 LEU C . 27209 1 239 . 1 . 1 74 74 LEU CA C 13 57.187 0.009 . 1 . . 749 . . 329 LEU CA . 27209 1 240 . 1 . 1 74 74 LEU CB C 13 39.608 0.015 . 1 . . 748 . . 329 LEU CB . 27209 1 241 . 1 . 1 74 74 LEU N N 15 117.772 0.035 . 1 . . 246 . . 329 LEU N . 27209 1 242 . 1 . 1 75 75 PHE H H 1 8.062 0.002 . 1 . . 27 . . 330 PHE H . 27209 1 243 . 1 . 1 75 75 PHE C C 13 176.962 0.004 . 1 . . 388 . . 330 PHE C . 27209 1 244 . 1 . 1 75 75 PHE CA C 13 62.200 0.003 . 1 . . 390 . . 330 PHE CA . 27209 1 245 . 1 . 1 75 75 PHE CB C 13 35.953 0.012 . 1 . . 389 . . 330 PHE CB . 27209 1 246 . 1 . 1 75 75 PHE N N 15 114.597 0.024 . 1 . . 28 . . 330 PHE N . 27209 1 247 . 1 . 1 76 76 SER H H 1 8.538 0.003 . 1 . . 99 . . 331 SER H . 27209 1 248 . 1 . 1 76 76 SER C C 13 176.210 . . 1 . . 902 . . 331 SER C . 27209 1 249 . 1 . 1 76 76 SER CA C 13 61.646 0.0 . 1 . . 532 . . 331 SER CA . 27209 1 250 . 1 . 1 76 76 SER CB C 13 61.237 0.055 . 1 . . 531 . . 331 SER CB . 27209 1 251 . 1 . 1 76 76 SER N N 15 118.468 0.021 . 1 . . 100 . . 331 SER N . 27209 1 252 . 1 . 1 77 77 ARG H H 1 6.641 0.003 . 1 . . 121 . . 332 ARG H . 27209 1 253 . 1 . 1 77 77 ARG C C 13 178.396 0.0 . 1 . . 563 . . 332 ARG C . 27209 1 254 . 1 . 1 77 77 ARG CA C 13 57.572 0.006 . 1 . . 565 . . 332 ARG CA . 27209 1 255 . 1 . 1 77 77 ARG CB C 13 28.751 0.013 . 1 . . 564 . . 332 ARG CB . 27209 1 256 . 1 . 1 77 77 ARG N N 15 121.479 0.013 . 1 . . 122 . . 332 ARG N . 27209 1 257 . 1 . 1 78 78 ILE H H 1 7.252 0.003 . 1 . . 15 . . 333 ILE H . 27209 1 258 . 1 . 1 78 78 ILE C C 13 176.749 0.001 . 1 . . 367 . . 333 ILE C . 27209 1 259 . 1 . 1 78 78 ILE CA C 13 63.819 0.003 . 1 . . 369 . . 333 ILE CA . 27209 1 260 . 1 . 1 78 78 ILE CB C 13 36.802 0.015 . 1 . . 368 . . 333 ILE CB . 27209 1 261 . 1 . 1 78 78 ILE N N 15 121.752 0.011 . 1 . . 16 . . 333 ILE N . 27209 1 262 . 1 . 1 79 79 PHE H H 1 8.496 0.002 . 1 . . 19 . . 334 PHE H . 27209 1 263 . 1 . 1 79 79 PHE C C 13 176.486 0.004 . 1 . . 373 . . 334 PHE C . 27209 1 264 . 1 . 1 79 79 PHE CA C 13 53.235 0.003 . 1 . . 375 . . 334 PHE CA . 27209 1 265 . 1 . 1 79 79 PHE CB C 13 37.158 0.02 . 1 . . 374 . . 334 PHE CB . 27209 1 266 . 1 . 1 79 79 PHE N N 15 113.908 0.017 . 1 . . 20 . . 334 PHE N . 27209 1 267 . 1 . 1 80 80 ASN H H 1 7.685 0.003 . 1 . . 920 . . 335 ASN H . 27209 1 268 . 1 . 1 80 80 ASN C C 13 173.175 0.005 . 1 . . 932 . . 335 ASN C . 27209 1 269 . 1 . 1 80 80 ASN CA C 13 53.222 0.006 . 1 . . 930 . . 335 ASN CA . 27209 1 270 . 1 . 1 80 80 ASN CB C 13 35.951 0.034 . 1 . . 931 . . 335 ASN CB . 27209 1 271 . 1 . 1 80 80 ASN N N 15 119.238 0.023 . 1 . . 921 . . 335 ASN N . 27209 1 272 . 1 . 1 81 81 CYS H H 1 8.465 0.002 . 1 . . 333 . . 336 CYS H . 27209 1 273 . 1 . 1 81 81 CYS C C 13 172.074 0.009 . 1 . . 965 . . 336 CYS C . 27209 1 274 . 1 . 1 81 81 CYS CA C 13 54.814 0.016 . 1 . . 963 . . 336 CYS CA . 27209 1 275 . 1 . 1 81 81 CYS CB C 13 30.859 0.037 . 1 . . 964 . . 336 CYS CB . 27209 1 276 . 1 . 1 81 81 CYS N N 15 116.269 0.025 . 1 . . 334 . . 336 CYS N . 27209 1 277 . 1 . 1 82 82 ASN H H 1 8.656 0.002 . 1 . . 137 . . 337 ASN H . 27209 1 278 . 1 . 1 82 82 ASN C C 13 174.745 . . 1 . . 590 . . 337 ASN C . 27209 1 279 . 1 . 1 82 82 ASN CA C 13 50.516 . . 1 . . 592 . . 337 ASN CA . 27209 1 280 . 1 . 1 82 82 ASN CB C 13 38.001 . . 1 . . 591 . . 337 ASN CB . 27209 1 281 . 1 . 1 82 82 ASN N N 15 121.366 0.023 . 1 . . 138 . . 337 ASN N . 27209 1 282 . 1 . 1 83 83 PRO C C 13 174.698 . . 1 . . 928 . . 338 PRO C . 27209 1 283 . 1 . 1 83 83 PRO CA C 13 61.745 . . 1 . . 926 . . 338 PRO CA . 27209 1 284 . 1 . 1 83 83 PRO CB C 13 31.108 . . 1 . . 927 . . 338 PRO CB . 27209 1 285 . 1 . 1 84 84 ASP H H 1 8.299 0.002 . 1 . . 249 . . 339 ASP H . 27209 1 286 . 1 . 1 84 84 ASP C C 13 178.633 . . 1 . . 929 . . 339 ASP C . 27209 1 287 . 1 . 1 84 84 ASP CA C 13 56.250 0.01 . 1 . . 750 . . 339 ASP CA . 27209 1 288 . 1 . 1 84 84 ASP CB C 13 38.741 0.012 . 1 . . 751 . . 339 ASP CB . 27209 1 289 . 1 . 1 84 84 ASP N N 15 122.914 0.015 . 1 . . 250 . . 339 ASP N . 27209 1 290 . 1 . 1 85 85 ASP H H 1 7.474 0.002 . 1 . . 59 . . 340 ASP H . 27209 1 291 . 1 . 1 85 85 ASP C C 13 178.857 0.006 . 1 . . 454 . . 340 ASP C . 27209 1 292 . 1 . 1 85 85 ASP CA C 13 56.198 0.012 . 1 . . 456 . . 340 ASP CA . 27209 1 293 . 1 . 1 85 85 ASP CB C 13 38.811 0.018 . 1 . . 455 . . 340 ASP CB . 27209 1 294 . 1 . 1 85 85 ASP N N 15 121.733 0.012 . 1 . . 60 . . 340 ASP N . 27209 1 295 . 1 . 1 86 86 MET H H 1 6.923 0.003 . 1 . . 61 . . 341 MET H . 27209 1 296 . 1 . 1 86 86 MET C C 13 176.614 0.011 . 1 . . 457 . . 341 MET C . 27209 1 297 . 1 . 1 86 86 MET CA C 13 58.487 0.008 . 1 . . 459 . . 341 MET CA . 27209 1 298 . 1 . 1 86 86 MET CB C 13 32.256 0.013 . 1 . . 458 . . 341 MET CB . 27209 1 299 . 1 . 1 86 86 MET N N 15 119.594 0.011 . 1 . . 62 . . 341 MET N . 27209 1 300 . 1 . 1 87 87 ALA H H 1 8.031 0.003 . 1 . . 526 . . 342 ALA H . 27209 1 301 . 1 . 1 87 87 ALA C C 13 180.093 0.012 . 1 . . 528 . . 342 ALA C . 27209 1 302 . 1 . 1 87 87 ALA CA C 13 54.117 0.005 . 1 . . 530 . . 342 ALA CA . 27209 1 303 . 1 . 1 87 87 ALA CB C 13 16.492 0.02 . 1 . . 529 . . 342 ALA CB . 27209 1 304 . 1 . 1 87 87 ALA N N 15 120.817 0.015 . 1 . . 527 . . 342 ALA N . 27209 1 305 . 1 . 1 88 88 ARG H H 1 7.672 0.002 . 1 . . 918 . . 343 ARG H . 27209 1 306 . 1 . 1 88 88 ARG C C 13 178.969 0.004 . 1 . . 924 . . 343 ARG C . 27209 1 307 . 1 . 1 88 88 ARG CA C 13 58.200 0.012 . 1 . . 922 . . 343 ARG CA . 27209 1 308 . 1 . 1 88 88 ARG CB C 13 28.417 0.041 . 1 . . 923 . . 343 ARG CB . 27209 1 309 . 1 . 1 88 88 ARG N N 15 119.338 0.021 . 1 . . 919 . . 343 ARG N . 27209 1 310 . 1 . 1 89 89 ASP H H 1 7.435 0.002 . 1 . . 75 . . 344 ASP H . 27209 1 311 . 1 . 1 89 89 ASP C C 13 178.549 0.001 . 1 . . 479 . . 344 ASP C . 27209 1 312 . 1 . 1 89 89 ASP CA C 13 56.473 0.004 . 1 . . 481 . . 344 ASP CA . 27209 1 313 . 1 . 1 89 89 ASP CB C 13 41.826 0.035 . 1 . . 480 . . 344 ASP CB . 27209 1 314 . 1 . 1 89 89 ASP N N 15 121.689 0.012 . 1 . . 76 . . 344 ASP N . 27209 1 315 . 1 . 1 90 90 LEU H H 1 8.001 0.003 . 1 . . 3 . . 345 LEU H . 27209 1 316 . 1 . 1 90 90 LEU C C 13 178.444 0.017 . 1 . . 342 . . 345 LEU C . 27209 1 317 . 1 . 1 90 90 LEU CA C 13 55.919 0.005 . 1 . . 340 . . 345 LEU CA . 27209 1 318 . 1 . 1 90 90 LEU CB C 13 40.005 0.022 . 1 . . 341 . . 345 LEU CB . 27209 1 319 . 1 . 1 90 90 LEU N N 15 121.283 0.018 . 1 . . 4 . . 345 LEU N . 27209 1 320 . 1 . 1 91 91 GLU H H 1 7.507 0.002 . 1 . . 41 . . 346 GLU H . 27209 1 321 . 1 . 1 91 91 GLU C C 13 177.409 0.012 . 1 . . 418 . . 346 GLU C . 27209 1 322 . 1 . 1 91 91 GLU CA C 13 57.702 0.009 . 1 . . 420 . . 346 GLU CA . 27209 1 323 . 1 . 1 91 91 GLU CB C 13 27.748 0.001 . 1 . . 419 . . 346 GLU CB . 27209 1 324 . 1 . 1 91 91 GLU N N 15 120.187 0.012 . 1 . . 42 . . 346 GLU N . 27209 1 325 . 1 . 1 92 92 GLN H H 1 7.662 0.002 . 1 . . 305 . . 347 GLN H . 27209 1 326 . 1 . 1 92 92 GLN C C 13 177.919 0.003 . 1 . . 906 . . 347 GLN C . 27209 1 327 . 1 . 1 92 92 GLN CA C 13 56.266 0.004 . 1 . . 840 . . 347 GLN CA . 27209 1 328 . 1 . 1 92 92 GLN CB C 13 27.293 0.032 . 1 . . 842 . . 347 GLN CB . 27209 1 329 . 1 . 1 92 92 GLN N N 15 115.603 0.011 . 1 . . 306 . . 347 GLN N . 27209 1 330 . 1 . 1 93 93 GLY H H 1 7.743 0.002 . 1 . . 195 . . 348 GLY H . 27209 1 331 . 1 . 1 93 93 GLY C C 13 173.741 0.009 . 1 . . 679 . . 348 GLY C . 27209 1 332 . 1 . 1 93 93 GLY CA C 13 45.237 0.001 . 1 . . 678 . . 348 GLY CA . 27209 1 333 . 1 . 1 93 93 GLY N N 15 104.825 0.015 . 1 . . 196 . . 348 GLY N . 27209 1 334 . 1 . 1 94 94 ASP H H 1 8.527 0.002 . 1 . . 133 . . 349 ASP H . 27209 1 335 . 1 . 1 94 94 ASP C C 13 175.789 0.001 . 1 . . 581 . . 349 ASP C . 27209 1 336 . 1 . 1 94 94 ASP CA C 13 51.994 0.0 . 1 . . 583 . . 349 ASP CA . 27209 1 337 . 1 . 1 94 94 ASP CB C 13 39.937 0.018 . 1 . . 582 . . 349 ASP CB . 27209 1 338 . 1 . 1 94 94 ASP N N 15 119.806 0.025 . 1 . . 134 . . 349 ASP N . 27209 1 339 . 1 . 1 95 95 VAL H H 1 9.135 0.003 . 1 . . 309 . . 350 VAL H . 27209 1 340 . 1 . 1 95 95 VAL C C 13 174.104 0.002 . 1 . . 846 . . 350 VAL C . 27209 1 341 . 1 . 1 95 95 VAL CA C 13 63.416 0.004 . 1 . . 848 . . 350 VAL CA . 27209 1 342 . 1 . 1 95 95 VAL CB C 13 29.782 0.021 . 1 . . 847 . . 350 VAL CB . 27209 1 343 . 1 . 1 95 95 VAL N N 15 128.627 0.01 . 1 . . 310 . . 350 VAL N . 27209 1 344 . 1 . 1 96 96 SER H H 1 7.935 0.002 . 1 . . 315 . . 351 SER H . 27209 1 345 . 1 . 1 96 96 SER C C 13 173.775 . . 1 . . 857 . . 351 SER C . 27209 1 346 . 1 . 1 96 96 SER CA C 13 60.783 0.109 . 1 . . 856 . . 351 SER CA . 27209 1 347 . 1 . 1 96 96 SER CB C 13 61.408 0.001 . 1 . . 855 . . 351 SER CB . 27209 1 348 . 1 . 1 96 96 SER N N 15 120.121 0.016 . 1 . . 316 . . 351 SER N . 27209 1 349 . 1 . 1 97 97 GLU H H 1 6.681 0.003 . 1 . . 183 . . 352 GLU H . 27209 1 350 . 1 . 1 97 97 GLU C C 13 177.229 0.001 . 1 . . 659 . . 352 GLU C . 27209 1 351 . 1 . 1 97 97 GLU CA C 13 55.450 0.005 . 1 . . 661 . . 352 GLU CA . 27209 1 352 . 1 . 1 97 97 GLU CB C 13 27.775 0.019 . 1 . . 660 . . 352 GLU CB . 27209 1 353 . 1 . 1 97 97 GLU N N 15 127.278 0.015 . 1 . . 184 . . 352 GLU N . 27209 1 354 . 1 . 1 98 98 THR H H 1 7.861 0.003 . 1 . . 625 . . 353 THR H . 27209 1 355 . 1 . 1 98 98 THR C C 13 176.005 0.005 . 1 . . 627 . . 353 THR C . 27209 1 356 . 1 . 1 98 98 THR CA C 13 66.081 0.003 . 1 . . 629 . . 353 THR CA . 27209 1 357 . 1 . 1 98 98 THR CB C 13 68.360 0.007 . 1 . . 628 . . 353 THR CB . 27209 1 358 . 1 . 1 98 98 THR N N 15 119.746 0.038 . 1 . . 626 . . 353 THR N . 27209 1 359 . 1 . 1 99 99 ILE H H 1 8.066 0.002 . 1 . . 191 . . 354 ILE H . 27209 1 360 . 1 . 1 99 99 ILE C C 13 176.157 0.005 . 1 . . 674 . . 354 ILE C . 27209 1 361 . 1 . 1 99 99 ILE CA C 13 61.539 0.001 . 1 . . 672 . . 354 ILE CA . 27209 1 362 . 1 . 1 99 99 ILE CB C 13 32.643 0.017 . 1 . . 673 . . 354 ILE CB . 27209 1 363 . 1 . 1 99 99 ILE N N 15 117.944 0.004 . 1 . . 192 . . 354 ILE N . 27209 1 364 . 1 . 1 100 100 ARG H H 1 7.387 0.002 . 1 . . 49 . . 355 ARG H . 27209 1 365 . 1 . 1 100 100 ARG C C 13 177.238 0.0 . 1 . . 429 . . 355 ARG C . 27209 1 366 . 1 . 1 100 100 ARG CA C 13 60.357 0.001 . 1 . . 431 . . 355 ARG CA . 27209 1 367 . 1 . 1 100 100 ARG CB C 13 28.512 0.022 . 1 . . 430 . . 355 ARG CB . 27209 1 368 . 1 . 1 100 100 ARG N N 15 121.164 0.015 . 1 . . 50 . . 355 ARG N . 27209 1 369 . 1 . 1 101 101 VAL H H 1 8.466 0.003 . 1 . . 105 . . 356 VAL H . 27209 1 370 . 1 . 1 101 101 VAL C C 13 178.933 0.001 . 1 . . 539 . . 356 VAL C . 27209 1 371 . 1 . 1 101 101 VAL CA C 13 65.325 0.005 . 1 . . 541 . . 356 VAL CA . 27209 1 372 . 1 . 1 101 101 VAL CB C 13 30.709 0.061 . 1 . . 540 . . 356 VAL CB . 27209 1 373 . 1 . 1 101 101 VAL N N 15 117.100 0.025 . 1 . . 106 . . 356 VAL N . 27209 1 374 . 1 . 1 102 102 PHE H H 1 8.008 0.002 . 1 . . 203 . . 357 PHE H . 27209 1 375 . 1 . 1 102 102 PHE C C 13 176.733 0.009 . 1 . . 691 . . 357 PHE C . 27209 1 376 . 1 . 1 102 102 PHE CA C 13 61.719 0.009 . 1 . . 693 . . 357 PHE CA . 27209 1 377 . 1 . 1 102 102 PHE CB C 13 37.024 0.015 . 1 . . 692 . . 357 PHE CB . 27209 1 378 . 1 . 1 102 102 PHE N N 15 117.938 0.011 . 1 . . 204 . . 357 PHE N . 27209 1 379 . 1 . 1 103 103 PHE H H 1 8.262 0.002 . 1 . . 269 . . 358 PHE H . 27209 1 380 . 1 . 1 103 103 PHE C C 13 177.767 0.001 . 1 . . 779 . . 358 PHE C . 27209 1 381 . 1 . 1 103 103 PHE CA C 13 54.784 0.009 . 1 . . 781 . . 358 PHE CA . 27209 1 382 . 1 . 1 103 103 PHE CB C 13 37.755 0.018 . 1 . . 780 . . 358 PHE CB . 27209 1 383 . 1 . 1 103 103 PHE N N 15 124.117 0.065 . 1 . . 270 . . 358 PHE N . 27209 1 384 . 1 . 1 104 104 GLU H H 1 7.559 0.002 . 1 . . 273 . . 359 GLU H . 27209 1 385 . 1 . 1 104 104 GLU C C 13 177.877 0.014 . 1 . . 785 . . 359 GLU C . 27209 1 386 . 1 . 1 104 104 GLU CA C 13 57.878 0.003 . 1 . . 787 . . 359 GLU CA . 27209 1 387 . 1 . 1 104 104 GLU CB C 13 28.320 0.09 . 1 . . 786 . . 359 GLU CB . 27209 1 388 . 1 . 1 104 104 GLU N N 15 114.201 0.028 . 1 . . 274 . . 359 GLU N . 27209 1 389 . 1 . 1 105 105 GLN H H 1 6.879 0.003 . 1 . . 47 . . 360 GLN H . 27209 1 390 . 1 . 1 105 105 GLN C C 13 175.457 0.009 . 1 . . 427 . . 360 GLN C . 27209 1 391 . 1 . 1 105 105 GLN CA C 13 54.441 0.011 . 1 . . 428 . . 360 GLN CA . 27209 1 392 . 1 . 1 105 105 GLN CB C 13 28.465 0.012 . 1 . . 886 . . 360 GLN CB . 27209 1 393 . 1 . 1 105 105 GLN N N 15 113.810 0.029 . 1 . . 48 . . 360 GLN N . 27209 1 394 . 1 . 1 106 106 SER H H 1 7.209 0.002 . 1 . . 17 . . 361 SER H . 27209 1 395 . 1 . 1 106 106 SER C C 13 175.838 0.006 . 1 . . 370 . . 361 SER C . 27209 1 396 . 1 . 1 106 106 SER CA C 13 58.493 0.004 . 1 . . 372 . . 361 SER CA . 27209 1 397 . 1 . 1 106 106 SER CB C 13 62.591 0.008 . 1 . . 371 . . 361 SER CB . 27209 1 398 . 1 . 1 106 106 SER N N 15 116.542 0.008 . 1 . . 18 . . 361 SER N . 27209 1 399 . 1 . 1 107 107 LYS H H 1 8.718 0.002 . 1 . . 69 . . 362 LYS H . 27209 1 400 . 1 . 1 107 107 LYS C C 13 177.611 0.006 . 1 . . 469 . . 362 LYS C . 27209 1 401 . 1 . 1 107 107 LYS CA C 13 55.961 0.005 . 1 . . 470 . . 362 LYS CA . 27209 1 402 . 1 . 1 107 107 LYS CB C 13 31.108 0.022 . 1 . . 471 . . 362 LYS CB . 27209 1 403 . 1 . 1 107 107 LYS N N 15 128.960 0.008 . 1 . . 70 . . 362 LYS N . 27209 1 404 . 1 . 1 108 108 SER H H 1 7.980 0.002 . 1 . . 91 . . 363 SER H . 27209 1 405 . 1 . 1 108 108 SER C C 13 173.828 0.006 . 1 . . 513 . . 363 SER C . 27209 1 406 . 1 . 1 108 108 SER CA C 13 58.429 0.005 . 1 . . 515 . . 363 SER CA . 27209 1 407 . 1 . 1 108 108 SER CB C 13 63.007 0.0 . 1 . . 514 . . 363 SER CB . 27209 1 408 . 1 . 1 108 108 SER N N 15 113.361 0.015 . 1 . . 92 . . 363 SER N . 27209 1 409 . 1 . 1 109 109 PHE H H 1 8.088 0.002 . 1 . . 135 . . 364 PHE H . 27209 1 410 . 1 . 1 109 109 PHE C C 13 168.199 . . 1 . . 587 . . 364 PHE C . 27209 1 411 . 1 . 1 109 109 PHE CA C 13 55.401 . . 1 . . 589 . . 364 PHE CA . 27209 1 412 . 1 . 1 109 109 PHE CB C 13 39.822 . . 1 . . 588 . . 364 PHE CB . 27209 1 413 . 1 . 1 109 109 PHE N N 15 128.499 0.012 . 1 . . 136 . . 364 PHE N . 27209 1 414 . 1 . 1 111 111 PRO C C 13 176.305 . . 1 . . 889 . . 366 PRO C . 27209 1 415 . 1 . 1 111 111 PRO CA C 13 60.999 . . 1 . . 887 . . 366 PRO CA . 27209 1 416 . 1 . 1 111 111 PRO CB C 13 30.417 . . 1 . . 888 . . 366 PRO CB . 27209 1 417 . 1 . 1 112 112 ALA H H 1 7.689 0.002 . 1 . . 201 . . 367 ALA H . 27209 1 418 . 1 . 1 112 112 ALA C C 13 176.889 0.004 . 1 . . 688 . . 367 ALA C . 27209 1 419 . 1 . 1 112 112 ALA CA C 13 51.193 0.002 . 1 . . 686 . . 367 ALA CA . 27209 1 420 . 1 . 1 112 112 ALA CB C 13 16.581 0.014 . 1 . . 687 . . 367 ALA CB . 27209 1 421 . 1 . 1 112 112 ALA N N 15 125.080 0.018 . 1 . . 202 . . 367 ALA N . 27209 1 422 . 1 . 1 113 113 ALA H H 1 8.293 0.003 . 1 . . 253 . . 368 ALA H . 27209 1 423 . 1 . 1 113 113 ALA C C 13 177.285 0.005 . 1 . . 755 . . 368 ALA C . 27209 1 424 . 1 . 1 113 113 ALA CA C 13 52.884 0.001 . 1 . . 757 . . 368 ALA CA . 27209 1 425 . 1 . 1 113 113 ALA CB C 13 18.122 0.003 . 1 . . 756 . . 368 ALA CB . 27209 1 426 . 1 . 1 113 113 ALA N N 15 122.159 0.015 . 1 . . 254 . . 368 ALA N . 27209 1 427 . 1 . 1 114 114 LYS H H 1 7.381 0.003 . 1 . . 193 . . 369 LYS H . 27209 1 428 . 1 . 1 114 114 LYS C C 13 173.474 0.014 . 1 . . 675 . . 369 LYS C . 27209 1 429 . 1 . 1 114 114 LYS CA C 13 53.061 0.003 . 1 . . 677 . . 369 LYS CA . 27209 1 430 . 1 . 1 114 114 LYS CB C 13 34.369 . . 1 . . 676 . . 369 LYS CB . 27209 1 431 . 1 . 1 114 114 LYS N N 15 114.386 0.011 . 1 . . 194 . . 369 LYS N . 27209 1 432 . 1 . 1 115 115 SER H H 1 8.420 0.002 . 1 . . 271 . . 370 SER H . 27209 1 433 . 1 . 1 115 115 SER C C 13 173.534 0.03 . 1 . . 782 . . 370 SER C . 27209 1 434 . 1 . 1 115 115 SER CA C 13 56.408 0.004 . 1 . . 784 . . 370 SER CA . 27209 1 435 . 1 . 1 115 115 SER CB C 13 61.460 0.001 . 1 . . 783 . . 370 SER CB . 27209 1 436 . 1 . 1 115 115 SER N N 15 117.574 0.017 . 1 . . 272 . . 370 SER N . 27209 1 437 . 1 . 1 116 116 LEU H H 1 8.479 0.002 . 1 . . 107 . . 371 LEU H . 27209 1 438 . 1 . 1 116 116 LEU C C 13 177.760 0.001 . 1 . . 542 . . 371 LEU C . 27209 1 439 . 1 . 1 116 116 LEU CA C 13 53.634 0.001 . 1 . . 544 . . 371 LEU CA . 27209 1 440 . 1 . 1 116 116 LEU CB C 13 43.905 0.004 . 1 . . 543 . . 371 LEU CB . 27209 1 441 . 1 . 1 116 116 LEU N N 15 128.934 0.013 . 1 . . 108 . . 371 LEU N . 27209 1 442 . 1 . 1 117 117 LEU H H 1 8.796 0.003 . 1 . . 197 . . 372 LEU H . 27209 1 443 . 1 . 1 117 117 LEU C C 13 177.853 0.003 . 1 . . 680 . . 372 LEU C . 27209 1 444 . 1 . 1 117 117 LEU CA C 13 55.432 0.009 . 1 . . 682 . . 372 LEU CA . 27209 1 445 . 1 . 1 117 117 LEU CB C 13 42.720 0.022 . 1 . . 681 . . 372 LEU CB . 27209 1 446 . 1 . 1 117 117 LEU N N 15 122.271 0.015 . 1 . . 198 . . 372 LEU N . 27209 1 447 . 1 . 1 118 118 THR H H 1 8.954 0.003 . 1 . . 79 . . 373 THR H . 27209 1 448 . 1 . 1 118 118 THR C C 13 175.966 . . 1 . . 485 . . 373 THR C . 27209 1 449 . 1 . 1 118 118 THR CA C 13 59.041 . . 1 . . 487 . . 373 THR CA . 27209 1 450 . 1 . 1 118 118 THR CB C 13 70.659 . . 1 . . 486 . . 373 THR CB . 27209 1 451 . 1 . 1 118 118 THR N N 15 113.361 0.009 . 1 . . 80 . . 373 THR N . 27209 1 452 . 1 . 1 119 119 ILE C C 13 177.160 . . 1 . . 915 . . 374 ILE C . 27209 1 453 . 1 . 1 119 119 ILE CA C 13 64.593 . . 1 . . 913 . . 374 ILE CA . 27209 1 454 . 1 . 1 119 119 ILE CB C 13 35.609 . . 1 . . 914 . . 374 ILE CB . 27209 1 455 . 1 . 1 120 120 GLN H H 1 8.685 0.002 . 1 . . 293 . . 375 GLN H . 27209 1 456 . 1 . 1 120 120 GLN C C 13 178.244 0.003 . 1 . . 819 . . 375 GLN C . 27209 1 457 . 1 . 1 120 120 GLN CA C 13 59.712 0.002 . 1 . . 821 . . 375 GLN CA . 27209 1 458 . 1 . 1 120 120 GLN CB C 13 25.643 0.006 . 1 . . 820 . . 375 GLN CB . 27209 1 459 . 1 . 1 120 120 GLN N N 15 123.937 0.016 . 1 . . 294 . . 375 GLN N . 27209 1 460 . 1 . 1 121 121 GLU H H 1 7.651 0.002 . 1 . . 149 . . 376 GLU H . 27209 1 461 . 1 . 1 121 121 GLU C C 13 180.008 0.012 . 1 . . 608 . . 376 GLU C . 27209 1 462 . 1 . 1 121 121 GLU CA C 13 58.234 0.001 . 1 . . 610 . . 376 GLU CA . 27209 1 463 . 1 . 1 121 121 GLU CB C 13 29.251 0.013 . 1 . . 609 . . 376 GLU CB . 27209 1 464 . 1 . 1 121 121 GLU N N 15 119.788 0.046 . 1 . . 150 . . 376 GLU N . 27209 1 465 . 1 . 1 122 122 VAL H H 1 7.743 0.003 . 1 . . 89 . . 377 VAL H . 27209 1 466 . 1 . 1 122 122 VAL C C 13 175.871 0.003 . 1 . . 510 . . 377 VAL C . 27209 1 467 . 1 . 1 122 122 VAL CA C 13 66.528 0.005 . 1 . . 512 . . 377 VAL CA . 27209 1 468 . 1 . 1 122 122 VAL CB C 13 29.860 0.013 . 1 . . 511 . . 377 VAL CB . 27209 1 469 . 1 . 1 122 122 VAL N N 15 121.651 0.01 . 1 . . 90 . . 377 VAL N . 27209 1 470 . 1 . 1 123 123 ASP H H 1 8.392 0.002 . 1 . . 21 . . 378 ASP H . 27209 1 471 . 1 . 1 123 123 ASP C C 13 177.430 0.029 . 1 . . 917 . . 378 ASP C . 27209 1 472 . 1 . 1 123 123 ASP CA C 13 57.573 0.005 . 1 . . 377 . . 378 ASP CA . 27209 1 473 . 1 . 1 123 123 ASP CB C 13 42.584 0.024 . 1 . . 376 . . 378 ASP CB . 27209 1 474 . 1 . 1 123 123 ASP N N 15 121.174 0.017 . 1 . . 22 . . 378 ASP N . 27209 1 475 . 1 . 1 124 124 GLU H H 1 8.117 0.003 . 1 . . 233 . . 379 GLU H . 27209 1 476 . 1 . 1 124 124 GLU C C 13 178.864 0.002 . 1 . . 899 . . 379 GLU C . 27209 1 477 . 1 . 1 124 124 GLU CA C 13 58.651 0.005 . 1 . . 519 . . 379 GLU CA . 27209 1 478 . 1 . 1 124 124 GLU CB C 13 28.149 0.006 . 1 . . 516 . . 379 GLU CB . 27209 1 479 . 1 . 1 124 124 GLU N N 15 117.844 0.018 . 1 . . 234 . . 379 GLU N . 27209 1 480 . 1 . 1 125 125 PHE H H 1 7.943 0.003 . 1 . . 291 . . 380 PHE H . 27209 1 481 . 1 . 1 125 125 PHE C C 13 175.476 0.001 . 1 . . 816 . . 380 PHE C . 27209 1 482 . 1 . 1 125 125 PHE CA C 13 60.037 0.001 . 1 . . 818 . . 380 PHE CA . 27209 1 483 . 1 . 1 125 125 PHE CB C 13 37.352 0.01 . 1 . . 817 . . 380 PHE CB . 27209 1 484 . 1 . 1 125 125 PHE N N 15 121.921 0.009 . 1 . . 292 . . 380 PHE N . 27209 1 485 . 1 . 1 126 126 LEU H H 1 8.470 0.003 . 1 . . 239 . . 381 LEU H . 27209 1 486 . 1 . 1 126 126 LEU C C 13 179.057 0.005 . 1 . . 738 . . 381 LEU C . 27209 1 487 . 1 . 1 126 126 LEU CA C 13 56.900 0.004 . 1 . . 740 . . 381 LEU CA . 27209 1 488 . 1 . 1 126 126 LEU CB C 13 38.017 0.003 . 1 . . 739 . . 381 LEU CB . 27209 1 489 . 1 . 1 126 126 LEU N N 15 122.185 0.012 . 1 . . 240 . . 381 LEU N . 27209 1 490 . 1 . 1 127 127 LEU H H 1 7.860 0.003 . 1 . . 157 . . 382 LEU H . 27209 1 491 . 1 . 1 127 127 LEU C C 13 180.326 0.005 . 1 . . 616 . . 382 LEU C . 27209 1 492 . 1 . 1 127 127 LEU CA C 13 56.931 0.0 . 1 . . 618 . . 382 LEU CA . 27209 1 493 . 1 . 1 127 127 LEU CB C 13 39.474 0.025 . 1 . . 617 . . 382 LEU CB . 27209 1 494 . 1 . 1 127 127 LEU N N 15 120.555 0.011 . 1 . . 158 . . 382 LEU N . 27209 1 495 . 1 . 1 128 128 ARG H H 1 7.722 0.002 . 1 . . 227 . . 383 ARG H . 27209 1 496 . 1 . 1 128 128 ARG C C 13 178.972 0.009 . 1 . . 726 . . 383 ARG C . 27209 1 497 . 1 . 1 128 128 ARG CA C 13 58.748 0.008 . 1 . . 728 . . 383 ARG CA . 27209 1 498 . 1 . 1 128 128 ARG CB C 13 28.335 0.024 . 1 . . 727 . . 383 ARG CB . 27209 1 499 . 1 . 1 128 128 ARG N N 15 122.265 0.012 . 1 . . 228 . . 383 ARG N . 27209 1 500 . 1 . 1 129 129 LEU H H 1 8.659 0.003 . 1 . . 71 . . 384 LEU H . 27209 1 501 . 1 . 1 129 129 LEU C C 13 179.220 . . 1 . . 472 . . 384 LEU C . 27209 1 502 . 1 . 1 129 129 LEU CA C 13 56.668 0.011 . 1 . . 475 . . 384 LEU CA . 27209 1 503 . 1 . 1 129 129 LEU CB C 13 40.058 0.006 . 1 . . 474 . . 384 LEU CB . 27209 1 504 . 1 . 1 129 129 LEU N N 15 121.113 0.01 . 1 . . 72 . . 384 LEU N . 27209 1 505 . 1 . 1 130 130 SER H H 1 8.049 0.002 . 1 . . 31 . . 385 SER H . 27209 1 506 . 1 . 1 130 130 SER C C 13 173.943 . . 1 . . 912 . . 385 SER C . 27209 1 507 . 1 . 1 130 130 SER CA C 13 60.342 0.002 . 1 . . 401 . . 385 SER CA . 27209 1 508 . 1 . 1 130 130 SER CB C 13 62.928 0.012 . 1 . . 400 . . 385 SER CB . 27209 1 509 . 1 . 1 130 130 SER N N 15 113.856 0.027 . 1 . . 32 . . 385 SER N . 27209 1 510 . 1 . 1 131 131 LYS H H 1 7.139 0.003 . 1 . . 350 . . 386 LYS H . 27209 1 511 . 1 . 1 131 131 LYS C C 13 176.287 0.008 . 1 . . 353 . . 386 LYS C . 27209 1 512 . 1 . 1 131 131 LYS CA C 13 55.005 0.005 . 1 . . 354 . . 386 LYS CA . 27209 1 513 . 1 . 1 131 131 LYS CB C 13 31.607 0.014 . 1 . . 352 . . 386 LYS CB . 27209 1 514 . 1 . 1 131 131 LYS N N 15 120.348 0.015 . 1 . . 351 . . 386 LYS N . 27209 1 515 . 1 . 1 132 132 LEU H H 1 7.518 0.002 . 1 . . 111 . . 387 LEU H . 27209 1 516 . 1 . 1 132 132 LEU C C 13 176.151 0.002 . 1 . . 548 . . 387 LEU C . 27209 1 517 . 1 . 1 132 132 LEU CA C 13 53.758 0.005 . 1 . . 550 . . 387 LEU CA . 27209 1 518 . 1 . 1 132 132 LEU CB C 13 41.482 0.01 . 1 . . 549 . . 387 LEU CB . 27209 1 519 . 1 . 1 132 132 LEU N N 15 120.833 0.014 . 1 . . 112 . . 387 LEU N . 27209 1 520 . 1 . 1 133 133 THR H H 1 8.515 0.003 . 1 . . 221 . . 388 THR H . 27209 1 521 . 1 . 1 133 133 THR C C 13 174.233 0.006 . 1 . . 717 . . 388 THR C . 27209 1 522 . 1 . 1 133 133 THR CA C 13 60.850 0.012 . 1 . . 719 . . 388 THR CA . 27209 1 523 . 1 . 1 133 133 THR CB C 13 69.624 0.007 . 1 . . 718 . . 388 THR CB . 27209 1 524 . 1 . 1 133 133 THR N N 15 110.778 0.014 . 1 . . 222 . . 388 THR N . 27209 1 525 . 1 . 1 134 134 LYS H H 1 7.928 0.002 . 1 . . 307 . . 389 LYS H . 27209 1 526 . 1 . 1 134 134 LYS C C 13 177.138 0.001 . 1 . . 843 . . 389 LYS C . 27209 1 527 . 1 . 1 134 134 LYS CA C 13 54.621 0.008 . 1 . . 845 . . 389 LYS CA . 27209 1 528 . 1 . 1 134 134 LYS CB C 13 32.525 0.004 . 1 . . 844 . . 389 LYS CB . 27209 1 529 . 1 . 1 134 134 LYS N N 15 123.882 0.011 . 1 . . 308 . . 389 LYS N . 27209 1 530 . 1 . 1 135 135 GLU H H 1 8.841 0.003 . 1 . . 317 . . 390 GLU H . 27209 1 531 . 1 . 1 135 135 GLU C C 13 177.486 0.012 . 1 . . 858 . . 390 GLU C . 27209 1 532 . 1 . 1 135 135 GLU CA C 13 58.907 0.005 . 1 . . 860 . . 390 GLU CA . 27209 1 533 . 1 . 1 135 135 GLU CB C 13 28.764 0.017 . 1 . . 859 . . 390 GLU CB . 27209 1 534 . 1 . 1 135 135 GLU N N 15 125.940 0.006 . 1 . . 318 . . 390 GLU N . 27209 1 535 . 1 . 1 136 136 ASP H H 1 8.737 0.003 . 1 . . 287 . . 391 ASP H . 27209 1 536 . 1 . 1 136 136 ASP C C 13 178.749 0.002 . 1 . . 806 . . 391 ASP C . 27209 1 537 . 1 . 1 136 136 ASP CA C 13 56.080 0.005 . 1 . . 808 . . 391 ASP CA . 27209 1 538 . 1 . 1 136 136 ASP CB C 13 37.986 0.026 . 1 . . 807 . . 391 ASP CB . 27209 1 539 . 1 . 1 136 136 ASP N N 15 117.387 0.017 . 1 . . 288 . . 391 ASP N . 27209 1 540 . 1 . 1 137 137 GLU H H 1 7.135 0.003 . 1 . . 9 . . 392 GLU H . 27209 1 541 . 1 . 1 137 137 GLU C C 13 179.636 0.0 . 1 . . 358 . . 392 GLU C . 27209 1 542 . 1 . 1 137 137 GLU CA C 13 57.615 0.006 . 1 . . 360 . . 392 GLU CA . 27209 1 543 . 1 . 1 137 137 GLU CB C 13 28.398 0.014 . 1 . . 359 . . 392 GLU CB . 27209 1 544 . 1 . 1 137 137 GLU N N 15 120.553 0.034 . 1 . . 10 . . 392 GLU N . 27209 1 545 . 1 . 1 138 138 GLN H H 1 8.222 0.003 . 1 . . 163 . . 393 GLN H . 27209 1 546 . 1 . 1 138 138 GLN C C 13 177.006 0.001 . 1 . . 630 . . 393 GLN C . 27209 1 547 . 1 . 1 138 138 GLN CA C 13 58.767 0.007 . 1 . . 632 . . 393 GLN CA . 27209 1 548 . 1 . 1 138 138 GLN CB C 13 27.558 0.0 . 1 . . 631 . . 393 GLN CB . 27209 1 549 . 1 . 1 138 138 GLN N N 15 121.229 0.014 . 1 . . 164 . . 393 GLN N . 27209 1 550 . 1 . 1 139 139 GLN H H 1 8.646 0.003 . 1 . . 505 . . 394 GLN H . 27209 1 551 . 1 . 1 139 139 GLN C C 13 176.597 0.009 . 1 . . 507 . . 394 GLN C . 27209 1 552 . 1 . 1 139 139 GLN CA C 13 59.155 0.003 . 1 . . 509 . . 394 GLN CA . 27209 1 553 . 1 . 1 139 139 GLN CB C 13 27.157 0.057 . 1 . . 508 . . 394 GLN CB . 27209 1 554 . 1 . 1 139 139 GLN N N 15 119.227 0.009 . 1 . . 506 . . 394 GLN N . 27209 1 555 . 1 . 1 140 140 GLN H H 1 7.415 0.002 . 1 . . 907 . . 395 GLN H . 27209 1 556 . 1 . 1 140 140 GLN C C 13 177.281 0.0 . 1 . . 911 . . 395 GLN C . 27209 1 557 . 1 . 1 140 140 GLN CA C 13 57.607 0.012 . 1 . . 909 . . 395 GLN CA . 27209 1 558 . 1 . 1 140 140 GLN CB C 13 27.063 0.013 . 1 . . 910 . . 395 GLN CB . 27209 1 559 . 1 . 1 140 140 GLN N N 15 117.392 0.01 . 1 . . 908 . . 395 GLN N . 27209 1 560 . 1 . 1 141 141 ALA H H 1 7.660 0.002 . 1 . . 43 . . 396 ALA H . 27209 1 561 . 1 . 1 141 141 ALA C C 13 179.570 0.005 . 1 . . 421 . . 396 ALA C . 27209 1 562 . 1 . 1 141 141 ALA CA C 13 54.279 0.006 . 1 . . 423 . . 396 ALA CA . 27209 1 563 . 1 . 1 141 141 ALA CB C 13 16.566 0.01 . 1 . . 422 . . 396 ALA CB . 27209 1 564 . 1 . 1 141 141 ALA N N 15 121.698 0.015 . 1 . . 44 . . 396 ALA N . 27209 1 565 . 1 . 1 142 142 LEU H H 1 8.174 0.003 . 1 . . 115 . . 397 LEU H . 27209 1 566 . 1 . 1 142 142 LEU C C 13 177.375 0.008 . 1 . . 554 . . 397 LEU C . 27209 1 567 . 1 . 1 142 142 LEU CA C 13 56.461 0.0 . 1 . . 556 . . 397 LEU CA . 27209 1 568 . 1 . 1 142 142 LEU CB C 13 38.955 0.001 . 1 . . 555 . . 397 LEU CB . 27209 1 569 . 1 . 1 142 142 LEU N N 15 118.420 0.029 . 1 . . 116 . . 397 LEU N . 27209 1 570 . 1 . 1 143 143 GLN H H 1 8.265 0.003 . 1 . . 127 . . 398 GLN H . 27209 1 571 . 1 . 1 143 143 GLN C C 13 177.097 0.003 . 1 . . 571 . . 398 GLN C . 27209 1 572 . 1 . 1 143 143 GLN CA C 13 58.885 0.005 . 1 . . 573 . . 398 GLN CA . 27209 1 573 . 1 . 1 143 143 GLN CB C 13 27.086 0.022 . 1 . . 572 . . 398 GLN CB . 27209 1 574 . 1 . 1 143 143 GLN N N 15 120.767 0.018 . 1 . . 128 . . 398 GLN N . 27209 1 575 . 1 . 1 144 144 ASP H H 1 8.052 0.003 . 1 . . 53 . . 399 ASP H . 27209 1 576 . 1 . 1 144 144 ASP C C 13 179.265 0.003 . 1 . . 440 . . 399 ASP C . 27209 1 577 . 1 . 1 144 144 ASP CA C 13 56.574 0.0 . 1 . . 442 . . 399 ASP CA . 27209 1 578 . 1 . 1 144 144 ASP CB C 13 39.835 0.03 . 1 . . 441 . . 399 ASP CB . 27209 1 579 . 1 . 1 144 144 ASP N N 15 119.421 0.031 . 1 . . 54 . . 399 ASP N . 27209 1 580 . 1 . 1 145 145 ILE H H 1 7.566 0.002 . 1 . . 187 . . 400 ILE H . 27209 1 581 . 1 . 1 145 145 ILE C C 13 177.456 0.001 . 1 . . 666 . . 400 ILE C . 27209 1 582 . 1 . 1 145 145 ILE CA C 13 60.173 0.004 . 1 . . 668 . . 400 ILE CA . 27209 1 583 . 1 . 1 145 145 ILE CB C 13 36.684 0.015 . 1 . . 667 . . 400 ILE CB . 27209 1 584 . 1 . 1 145 145 ILE N N 15 119.538 0.012 . 1 . . 188 . . 400 ILE N . 27209 1 585 . 1 . 1 146 146 ALA H H 1 8.445 0.002 . 1 . . 209 . . 401 ALA H . 27209 1 586 . 1 . 1 146 146 ALA C C 13 178.942 0.009 . 1 . . 700 . . 401 ALA C . 27209 1 587 . 1 . 1 146 146 ALA CA C 13 54.673 0.014 . 1 . . 702 . . 401 ALA CA . 27209 1 588 . 1 . 1 146 146 ALA CB C 13 17.403 0.007 . 1 . . 701 . . 401 ALA CB . 27209 1 589 . 1 . 1 146 146 ALA N N 15 126.807 0.016 . 1 . . 210 . . 401 ALA N . 27209 1 590 . 1 . 1 147 147 SER H H 1 8.155 0.002 . 1 . . 153 . . 402 SER H . 27209 1 591 . 1 . 1 147 147 SER C C 13 174.467 . . 1 . . 943 . . 402 SER C . 27209 1 592 . 1 . 1 147 147 SER CA C 13 60.286 0.001 . 1 . . 612 . . 402 SER CA . 27209 1 593 . 1 . 1 147 147 SER CB C 13 62.658 . . 1 . . 613 . . 402 SER CB . 27209 1 594 . 1 . 1 147 147 SER N N 15 111.437 0.017 . 1 . . 154 . . 402 SER N . 27209 1 595 . 1 . 1 148 148 ARG H H 1 7.456 0.002 . 1 . . 335 . . 403 ARG H . 27209 1 596 . 1 . 1 148 148 ARG C C 13 175.568 0.006 . 1 . . 946 . . 403 ARG C . 27209 1 597 . 1 . 1 148 148 ARG CA C 13 54.540 0.008 . 1 . . 942 . . 403 ARG CA . 27209 1 598 . 1 . 1 148 148 ARG CB C 13 29.902 0.019 . 1 . . 577 . . 403 ARG CB . 27209 1 599 . 1 . 1 148 148 ARG N N 15 119.412 0.018 . 1 . . 336 . . 403 ARG N . 27209 1 600 . 1 . 1 149 149 CYS H H 1 7.980 0.002 . 1 . . 67 . . 404 CYS H . 27209 1 601 . 1 . 1 149 149 CYS C C 13 175.902 0.003 . 1 . . 466 . . 404 CYS C . 27209 1 602 . 1 . 1 149 149 CYS CA C 13 60.809 0.005 . 1 . . 468 . . 404 CYS CA . 27209 1 603 . 1 . 1 149 149 CYS CB C 13 29.535 0.031 . 1 . . 467 . . 404 CYS CB . 27209 1 604 . 1 . 1 149 149 CYS N N 15 120.973 0.009 . 1 . . 68 . . 404 CYS N . 27209 1 605 . 1 . 1 150 150 THR H H 1 8.743 0.002 . 1 . . 123 . . 405 THR H . 27209 1 606 . 1 . 1 150 150 THR C C 13 175.406 0.006 . 1 . . 568 . . 405 THR C . 27209 1 607 . 1 . 1 150 150 THR CA C 13 60.816 0.003 . 1 . . 566 . . 405 THR CA . 27209 1 608 . 1 . 1 150 150 THR CB C 13 69.386 0.023 . 1 . . 567 . . 405 THR CB . 27209 1 609 . 1 . 1 150 150 THR N N 15 112.655 0.011 . 1 . . 124 . . 405 THR N . 27209 1 610 . 1 . 1 151 151 ALA H H 1 9.224 0.002 . 1 . . 251 . . 406 ALA H . 27209 1 611 . 1 . 1 151 151 ALA C C 13 179.507 0.001 . 1 . . 752 . . 406 ALA C . 27209 1 612 . 1 . 1 151 151 ALA CA C 13 55.836 0.005 . 1 . . 754 . . 406 ALA CA . 27209 1 613 . 1 . 1 151 151 ALA CB C 13 16.090 0.001 . 1 . . 753 . . 406 ALA CB . 27209 1 614 . 1 . 1 151 151 ALA N N 15 126.126 0.007 . 1 . . 252 . . 406 ALA N . 27209 1 615 . 1 . 1 152 152 ASN H H 1 8.508 0.002 . 1 . . 241 . . 407 ASN H . 27209 1 616 . 1 . 1 152 152 ASN C C 13 178.894 0.005 . 1 . . 741 . . 407 ASN C . 27209 1 617 . 1 . 1 152 152 ASN CA C 13 54.581 0.006 . 1 . . 743 . . 407 ASN CA . 27209 1 618 . 1 . 1 152 152 ASN CB C 13 36.570 0.017 . 1 . . 742 . . 407 ASN CB . 27209 1 619 . 1 . 1 152 152 ASN N N 15 115.855 0.012 . 1 . . 242 . . 407 ASN N . 27209 1 620 . 1 . 1 153 153 ASP H H 1 7.612 0.002 . 1 . . 275 . . 408 ASP H . 27209 1 621 . 1 . 1 153 153 ASP C C 13 176.602 0.006 . 1 . . 788 . . 408 ASP C . 27209 1 622 . 1 . 1 153 153 ASP CA C 13 57.561 0.003 . 1 . . 790 . . 408 ASP CA . 27209 1 623 . 1 . 1 153 153 ASP CB C 13 39.591 0.027 . 1 . . 789 . . 408 ASP CB . 27209 1 624 . 1 . 1 153 153 ASP N N 15 122.840 0.012 . 1 . . 276 . . 408 ASP N . 27209 1 625 . 1 . 1 154 154 LEU H H 1 7.805 0.002 . 1 . . 173 . . 409 LEU H . 27209 1 626 . 1 . 1 154 154 LEU C C 13 177.206 0.001 . 1 . . 645 . . 409 LEU C . 27209 1 627 . 1 . 1 154 154 LEU CA C 13 56.366 0.007 . 1 . . 647 . . 409 LEU CA . 27209 1 628 . 1 . 1 154 154 LEU CB C 13 39.780 0.014 . 1 . . 646 . . 409 LEU CB . 27209 1 629 . 1 . 1 154 154 LEU N N 15 119.693 0.008 . 1 . . 174 . . 409 LEU N . 27209 1 630 . 1 . 1 155 155 LYS H H 1 8.000 0.003 . 1 . . 295 . . 410 LYS H . 27209 1 631 . 1 . 1 155 155 LYS C C 13 176.491 0.004 . 1 . . 822 . . 410 LYS C . 27209 1 632 . 1 . 1 155 155 LYS CA C 13 59.396 0.0 . 1 . . 824 . . 410 LYS CA . 27209 1 633 . 1 . 1 155 155 LYS CB C 13 31.699 0.01 . 1 . . 823 . . 410 LYS CB . 27209 1 634 . 1 . 1 155 155 LYS N N 15 119.983 0.019 . 1 . . 296 . . 410 LYS N . 27209 1 635 . 1 . 1 156 156 CYS H H 1 7.207 0.002 . 1 . . 311 . . 411 CYS H . 27209 1 636 . 1 . 1 156 156 CYS C C 13 174.951 0.002 . 1 . . 849 . . 411 CYS C . 27209 1 637 . 1 . 1 156 156 CYS CA C 13 61.765 0.002 . 1 . . 851 . . 411 CYS CA . 27209 1 638 . 1 . 1 156 156 CYS CB C 13 25.934 0.017 . 1 . . 850 . . 411 CYS CB . 27209 1 639 . 1 . 1 156 156 CYS N N 15 117.385 0.015 . 1 . . 312 . . 411 CYS N . 27209 1 640 . 1 . 1 157 157 ILE H H 1 7.658 0.003 . 1 . . 179 . . 412 ILE H . 27209 1 641 . 1 . 1 157 157 ILE C C 13 177.081 0.0 . 1 . . 925 . . 412 ILE C . 27209 1 642 . 1 . 1 157 157 ILE CA C 13 65.358 0.0 . 1 . . 654 . . 412 ILE CA . 27209 1 643 . 1 . 1 157 157 ILE CB C 13 36.298 0.017 . 1 . . 939 . . 412 ILE CB . 27209 1 644 . 1 . 1 157 157 ILE N N 15 119.125 0.014 . 1 . . 180 . . 412 ILE N . 27209 1 645 . 1 . 1 158 158 ILE H H 1 8.574 0.002 . 1 . . 37 . . 413 ILE H . 27209 1 646 . 1 . 1 158 158 ILE C C 13 177.172 0.011 . 1 . . 412 . . 413 ILE C . 27209 1 647 . 1 . 1 158 158 ILE CA C 13 61.485 0.004 . 1 . . 414 . . 413 ILE CA . 27209 1 648 . 1 . 1 158 158 ILE CB C 13 32.855 0.016 . 1 . . 413 . . 413 ILE CB . 27209 1 649 . 1 . 1 158 158 ILE N N 15 118.611 0.014 . 1 . . 38 . . 413 ILE N . 27209 1 650 . 1 . 1 159 159 ARG H H 1 7.720 0.002 . 1 . . 25 . . 414 ARG H . 27209 1 651 . 1 . 1 159 159 ARG C C 13 177.797 0.003 . 1 . . 385 . . 414 ARG C . 27209 1 652 . 1 . 1 159 159 ARG CA C 13 60.626 0.002 . 1 . . 387 . . 414 ARG CA . 27209 1 653 . 1 . 1 159 159 ARG CB C 13 27.751 0.003 . 1 . . 386 . . 414 ARG CB . 27209 1 654 . 1 . 1 159 159 ARG N N 15 120.250 0.009 . 1 . . 26 . . 414 ARG N . 27209 1 655 . 1 . 1 160 160 LEU H H 1 8.039 0.003 . 1 . . 181 . . 415 LEU H . 27209 1 656 . 1 . 1 160 160 LEU C C 13 181.886 0.015 . 1 . . 656 . . 415 LEU C . 27209 1 657 . 1 . 1 160 160 LEU CA C 13 57.933 0.008 . 1 . . 658 . . 415 LEU CA . 27209 1 658 . 1 . 1 160 160 LEU CB C 13 39.959 0.041 . 1 . . 657 . . 415 LEU CB . 27209 1 659 . 1 . 1 160 160 LEU N N 15 119.623 0.034 . 1 . . 182 . . 415 LEU N . 27209 1 660 . 1 . 1 161 161 ILE H H 1 8.130 0.002 . 1 . . 301 . . 416 ILE H . 27209 1 661 . 1 . 1 161 161 ILE C C 13 176.081 0.001 . 1 . . 831 . . 416 ILE C . 27209 1 662 . 1 . 1 161 161 ILE CA C 13 63.307 0.003 . 1 . . 833 . . 416 ILE CA . 27209 1 663 . 1 . 1 161 161 ILE CB C 13 36.445 0.025 . 1 . . 832 . . 416 ILE CB . 27209 1 664 . 1 . 1 161 161 ILE N N 15 125.966 0.022 . 1 . . 302 . . 416 ILE N . 27209 1 665 . 1 . 1 162 162 LYS H H 1 7.822 0.002 . 1 . . 936 . . 417 LYS H . 27209 1 666 . 1 . 1 162 162 LYS C C 13 175.320 0.009 . 1 . . 941 . . 417 LYS C . 27209 1 667 . 1 . 1 162 162 LYS CA C 13 52.848 0.005 . 1 . . 938 . . 417 LYS CA . 27209 1 668 . 1 . 1 162 162 LYS CB C 13 27.249 0.022 . 1 . . 940 . . 417 LYS CB . 27209 1 669 . 1 . 1 162 162 LYS N N 15 116.964 0.013 . 1 . . 937 . . 417 LYS N . 27209 1 670 . 1 . 1 163 163 HIS H H 1 7.711 0.002 . 1 . . 109 . . 418 HIS H . 27209 1 671 . 1 . 1 163 163 HIS C C 13 173.547 0.014 . 1 . . 545 . . 418 HIS C . 27209 1 672 . 1 . 1 163 163 HIS CA C 13 55.255 0.001 . 1 . . 547 . . 418 HIS CA . 27209 1 673 . 1 . 1 163 163 HIS CB C 13 25.851 0.0 . 1 . . 546 . . 418 HIS CB . 27209 1 674 . 1 . 1 163 163 HIS N N 15 112.914 0.02 . 1 . . 110 . . 418 HIS N . 27209 1 675 . 1 . 1 164 164 ASP H H 1 8.178 0.003 . 1 . . 279 . . 419 ASP H . 27209 1 676 . 1 . 1 164 164 ASP C C 13 174.322 . . 1 . . 794 . . 419 ASP C . 27209 1 677 . 1 . 1 164 164 ASP CA C 13 53.914 0.002 . 1 . . 796 . . 419 ASP CA . 27209 1 678 . 1 . 1 164 164 ASP CB C 13 40.618 0.014 . 1 . . 795 . . 419 ASP CB . 27209 1 679 . 1 . 1 164 164 ASP N N 15 116.568 0.031 . 1 . . 280 . . 419 ASP N . 27209 1 680 . 1 . 1 165 165 LEU H H 1 8.693 0.002 . 1 . . 277 . . 420 LEU H . 27209 1 681 . 1 . 1 165 165 LEU C C 13 175.813 0.0 . 1 . . 791 . . 420 LEU C . 27209 1 682 . 1 . 1 165 165 LEU CA C 13 54.897 0.005 . 1 . . 793 . . 420 LEU CA . 27209 1 683 . 1 . 1 165 165 LEU CB C 13 41.652 0.006 . 1 . . 792 . . 420 LEU CB . 27209 1 684 . 1 . 1 165 165 LEU N N 15 125.968 0.013 . 1 . . 278 . . 420 LEU N . 27209 1 685 . 1 . 1 166 166 LYS H H 1 9.028 0.003 . 1 . . 261 . . 421 LYS H . 27209 1 686 . 1 . 1 166 166 LYS C C 13 175.673 0.001 . 1 . . 767 . . 421 LYS C . 27209 1 687 . 1 . 1 166 166 LYS CA C 13 56.334 0.01 . 1 . . 769 . . 421 LYS CA . 27209 1 688 . 1 . 1 166 166 LYS CB C 13 27.365 0.016 . 1 . . 768 . . 421 LYS CB . 27209 1 689 . 1 . 1 166 166 LYS N N 15 116.243 0.019 . 1 . . 262 . . 421 LYS N . 27209 1 690 . 1 . 1 167 167 MET H H 1 7.875 0.003 . 1 . . 95 . . 422 MET H . 27209 1 691 . 1 . 1 167 167 MET C C 13 174.953 0.008 . 1 . . 522 . . 422 MET C . 27209 1 692 . 1 . 1 167 167 MET CA C 13 54.327 0.009 . 1 . . 520 . . 422 MET CA . 27209 1 693 . 1 . 1 167 167 MET CB C 13 32.887 0.004 . 1 . . 521 . . 422 MET CB . 27209 1 694 . 1 . 1 167 167 MET N N 15 114.289 0.01 . 1 . . 96 . . 422 MET N . 27209 1 695 . 1 . 1 168 168 ASN H H 1 8.478 0.003 . 1 . . 83 . . 423 ASN H . 27209 1 696 . 1 . 1 168 168 ASN C C 13 172.014 0.004 . 1 . . 491 . . 423 ASN C . 27209 1 697 . 1 . 1 168 168 ASN CA C 13 53.247 0.006 . 1 . . 493 . . 423 ASN CA . 27209 1 698 . 1 . 1 168 168 ASN CB C 13 36.096 0.016 . 1 . . 492 . . 423 ASN CB . 27209 1 699 . 1 . 1 168 168 ASN N N 15 118.596 0.023 . 1 . . 84 . . 423 ASN N . 27209 1 700 . 1 . 1 169 169 SER H H 1 7.307 0.002 . 1 . . 297 . . 424 SER H . 27209 1 701 . 1 . 1 169 169 SER C C 13 173.932 . . 1 . . 825 . . 424 SER C . 27209 1 702 . 1 . 1 169 169 SER CA C 13 55.964 . . 1 . . 827 . . 424 SER CA . 27209 1 703 . 1 . 1 169 169 SER CB C 13 65.524 . . 1 . . 826 . . 424 SER CB . 27209 1 704 . 1 . 1 169 169 SER N N 15 109.013 0.017 . 1 . . 298 . . 424 SER N . 27209 1 705 . 1 . 1 170 170 GLY C C 13 173.052 . . 1 . . 891 . . 425 GLY C . 27209 1 706 . 1 . 1 170 170 GLY CA C 13 42.642 . . 1 . . 890 . . 425 GLY CA . 27209 1 707 . 1 . 1 171 171 ALA H H 1 8.573 0.002 . 1 . . 265 . . 426 ALA H . 27209 1 708 . 1 . 1 171 171 ALA C C 13 178.226 0.005 . 1 . . 773 . . 426 ALA C . 27209 1 709 . 1 . 1 171 171 ALA CA C 13 54.425 0.0 . 1 . . 775 . . 426 ALA CA . 27209 1 710 . 1 . 1 171 171 ALA CB C 13 16.860 0.009 . 1 . . 774 . . 426 ALA CB . 27209 1 711 . 1 . 1 171 171 ALA N N 15 122.012 0.012 . 1 . . 266 . . 426 ALA N . 27209 1 712 . 1 . 1 172 172 LYS H H 1 8.220 0.002 . 1 . . 13 . . 427 LYS H . 27209 1 713 . 1 . 1 172 172 LYS C C 13 175.821 0.009 . 1 . . 364 . . 427 LYS C . 27209 1 714 . 1 . 1 172 172 LYS CA C 13 58.987 0.001 . 1 . . 366 . . 427 LYS CA . 27209 1 715 . 1 . 1 172 172 LYS CB C 13 30.781 0.0 . 1 . . 365 . . 427 LYS CB . 27209 1 716 . 1 . 1 172 172 LYS N N 15 117.154 0.016 . 1 . . 14 . . 427 LYS N . 27209 1 717 . 1 . 1 173 173 HIS H H 1 6.298 0.003 . 1 . . 213 . . 428 HIS H . 27209 1 718 . 1 . 1 173 173 HIS C C 13 177.508 0.0 . 1 . . 706 . . 428 HIS C . 27209 1 719 . 1 . 1 173 173 HIS CA C 13 58.604 0.002 . 1 . . 708 . . 428 HIS CA . 27209 1 720 . 1 . 1 173 173 HIS CB C 13 29.470 0.03 . 1 . . 707 . . 428 HIS CB . 27209 1 721 . 1 . 1 173 173 HIS N N 15 114.823 0.02 . 1 . . 214 . . 428 HIS N . 27209 1 722 . 1 . 1 174 174 VAL H H 1 7.219 0.003 . 1 . . 432 . . 429 VAL H . 27209 1 723 . 1 . 1 174 174 VAL C C 13 176.438 0.007 . 1 . . 436 . . 429 VAL C . 27209 1 724 . 1 . 1 174 174 VAL CA C 13 64.508 0.005 . 1 . . 434 . . 429 VAL CA . 27209 1 725 . 1 . 1 174 174 VAL CB C 13 31.215 0.039 . 1 . . 435 . . 429 VAL CB . 27209 1 726 . 1 . 1 174 174 VAL N N 15 115.170 0.02 . 1 . . 433 . . 429 VAL N . 27209 1 727 . 1 . 1 175 175 LEU H H 1 8.317 0.002 . 1 . . 171 . . 430 LEU H . 27209 1 728 . 1 . 1 175 175 LEU C C 13 178.702 0.0 . 1 . . 642 . . 430 LEU C . 27209 1 729 . 1 . 1 175 175 LEU CA C 13 57.291 0.006 . 1 . . 644 . . 430 LEU CA . 27209 1 730 . 1 . 1 175 175 LEU CB C 13 38.327 0.018 . 1 . . 643 . . 430 LEU CB . 27209 1 731 . 1 . 1 175 175 LEU N N 15 118.143 0.014 . 1 . . 172 . . 430 LEU N . 27209 1 732 . 1 . 1 176 176 ASP H H 1 8.642 0.003 . 1 . . 175 . . 431 ASP H . 27209 1 733 . 1 . 1 176 176 ASP C C 13 177.303 0.002 . 1 . . 648 . . 431 ASP C . 27209 1 734 . 1 . 1 176 176 ASP CA C 13 55.765 0.002 . 1 . . 650 . . 431 ASP CA . 27209 1 735 . 1 . 1 176 176 ASP CB C 13 39.123 0.014 . 1 . . 649 . . 431 ASP CB . 27209 1 736 . 1 . 1 176 176 ASP N N 15 119.369 0.013 . 1 . . 176 . . 431 ASP N . 27209 1 737 . 1 . 1 177 177 ALA H H 1 7.233 0.002 . 1 . . 143 . . 432 ALA H . 27209 1 738 . 1 . 1 177 177 ALA C C 13 177.266 0.003 . 1 . . 600 . . 432 ALA C . 27209 1 739 . 1 . 1 177 177 ALA CA C 13 52.803 0.001 . 1 . . 601 . . 432 ALA CA . 27209 1 740 . 1 . 1 177 177 ALA CB C 13 17.738 0.01 . 1 . . 599 . . 432 ALA CB . 27209 1 741 . 1 . 1 177 177 ALA N N 15 120.750 0.014 . 1 . . 144 . . 432 ALA N . 27209 1 742 . 1 . 1 178 178 LEU H H 1 7.329 0.002 . 1 . . 257 . . 433 LEU H . 27209 1 743 . 1 . 1 178 178 LEU C C 13 175.629 0.011 . 1 . . 763 . . 433 LEU C . 27209 1 744 . 1 . 1 178 178 LEU CA C 13 55.826 0.001 . 1 . . 761 . . 433 LEU CA . 27209 1 745 . 1 . 1 178 178 LEU CB C 13 41.410 0.013 . 1 . . 762 . . 433 LEU CB . 27209 1 746 . 1 . 1 178 178 LEU N N 15 117.720 0.013 . 1 . . 258 . . 433 LEU N . 27209 1 747 . 1 . 1 179 179 ASP H H 1 7.815 0.002 . 1 . . 689 . . 434 ASP H . 27209 1 748 . 1 . 1 179 179 ASP C C 13 173.866 . . 1 . . 935 . . 434 ASP C . 27209 1 749 . 1 . 1 179 179 ASP CA C 13 52.421 . . 1 . . 934 . . 434 ASP CA . 27209 1 750 . 1 . 1 179 179 ASP CB C 13 44.984 . . 1 . . 933 . . 434 ASP CB . 27209 1 751 . 1 . 1 179 179 ASP N N 15 116.871 0.029 . 1 . . 690 . . 434 ASP N . 27209 1 752 . 1 . 1 180 180 PRO C C 13 175.744 . . 1 . . 894 . . 435 PRO C . 27209 1 753 . 1 . 1 180 180 PRO CA C 13 64.035 . . 1 . . 892 . . 435 PRO CA . 27209 1 754 . 1 . 1 180 180 PRO CB C 13 31.002 . . 1 . . 893 . . 435 PRO CB . 27209 1 755 . 1 . 1 181 181 ASN H H 1 9.042 0.003 . 1 . . 169 . . 436 ASN H . 27209 1 756 . 1 . 1 181 181 ASN C C 13 175.513 0.016 . 1 . . 639 . . 436 ASN C . 27209 1 757 . 1 . 1 181 181 ASN CA C 13 52.219 0.003 . 1 . . 641 . . 436 ASN CA . 27209 1 758 . 1 . 1 181 181 ASN CB C 13 38.974 0.014 . 1 . . 640 . . 436 ASN CB . 27209 1 759 . 1 . 1 181 181 ASN N N 15 115.990 0.021 . 1 . . 170 . . 436 ASN N . 27209 1 760 . 1 . 1 182 182 ALA H H 1 7.555 0.002 . 1 . . 255 . . 437 ALA H . 27209 1 761 . 1 . 1 182 182 ALA C C 13 177.902 0.006 . 1 . . 758 . . 437 ALA C . 27209 1 762 . 1 . 1 182 182 ALA CA C 13 54.585 0.002 . 1 . . 760 . . 437 ALA CA . 27209 1 763 . 1 . 1 182 182 ALA CB C 13 18.001 0.009 . 1 . . 759 . . 437 ALA CB . 27209 1 764 . 1 . 1 182 182 ALA N N 15 124.294 0.018 . 1 . . 256 . . 437 ALA N . 27209 1 765 . 1 . 1 183 183 TYR H H 1 10.001 0.003 . 1 . . 231 . . 438 TYR H . 27209 1 766 . 1 . 1 183 183 TYR C C 13 176.896 0.006 . 1 . . 732 . . 438 TYR C . 27209 1 767 . 1 . 1 183 183 TYR CA C 13 60.917 0.003 . 1 . . 734 . . 438 TYR CA . 27209 1 768 . 1 . 1 183 183 TYR CB C 13 35.610 0.003 . 1 . . 733 . . 438 TYR CB . 27209 1 769 . 1 . 1 183 183 TYR N N 15 121.501 0.015 . 1 . . 232 . . 438 TYR N . 27209 1 770 . 1 . 1 184 184 GLU H H 1 8.585 0.002 . 1 . . 113 . . 439 GLU H . 27209 1 771 . 1 . 1 184 184 GLU C C 13 179.167 0.005 . 1 . . 551 . . 439 GLU C . 27209 1 772 . 1 . 1 184 184 GLU CA C 13 58.246 0.004 . 1 . . 553 . . 439 GLU CA . 27209 1 773 . 1 . 1 184 184 GLU CB C 13 27.407 0.019 . 1 . . 552 . . 439 GLU CB . 27209 1 774 . 1 . 1 184 184 GLU N N 15 119.535 0.008 . 1 . . 114 . . 439 GLU N . 27209 1 775 . 1 . 1 185 185 ALA H H 1 7.705 0.003 . 1 . . 289 . . 440 ALA H . 27209 1 776 . 1 . 1 185 185 ALA C C 13 180.021 0.014 . 1 . . 814 . . 440 ALA C . 27209 1 777 . 1 . 1 185 185 ALA CA C 13 54.176 0.009 . 1 . . 812 . . 440 ALA CA . 27209 1 778 . 1 . 1 185 185 ALA CB C 13 16.930 0.001 . 1 . . 813 . . 440 ALA CB . 27209 1 779 . 1 . 1 185 185 ALA N N 15 122.695 0.014 . 1 . . 290 . . 440 ALA N . 27209 1 780 . 1 . 1 186 186 PHE H H 1 8.599 0.003 . 1 . . 325 . . 441 PHE H . 27209 1 781 . 1 . 1 186 186 PHE C C 13 176.927 0.007 . 1 . . 871 . . 441 PHE C . 27209 1 782 . 1 . 1 186 186 PHE CA C 13 59.676 0.009 . 1 . . 873 . . 441 PHE CA . 27209 1 783 . 1 . 1 186 186 PHE CB C 13 38.402 0.008 . 1 . . 872 . . 441 PHE CB . 27209 1 784 . 1 . 1 186 186 PHE N N 15 121.881 0.014 . 1 . . 326 . . 441 PHE N . 27209 1 785 . 1 . 1 187 187 LYS H H 1 8.375 0.002 . 1 . . 45 . . 442 LYS H . 27209 1 786 . 1 . 1 187 187 LYS C C 13 177.311 0.0 . 1 . . 424 . . 442 LYS C . 27209 1 787 . 1 . 1 187 187 LYS CA C 13 58.316 0.002 . 1 . . 426 . . 442 LYS CA . 27209 1 788 . 1 . 1 187 187 LYS CB C 13 30.161 0.017 . 1 . . 425 . . 442 LYS CB . 27209 1 789 . 1 . 1 187 187 LYS N N 15 121.458 0.014 . 1 . . 46 . . 442 LYS N . 27209 1 790 . 1 . 1 188 188 ALA H H 1 7.030 0.002 . 1 . . 215 . . 443 ALA H . 27209 1 791 . 1 . 1 188 188 ALA C C 13 178.066 0.007 . 1 . . 711 . . 443 ALA C . 27209 1 792 . 1 . 1 188 188 ALA CA C 13 53.045 0.002 . 1 . . 709 . . 443 ALA CA . 27209 1 793 . 1 . 1 188 188 ALA CB C 13 17.604 0.011 . 1 . . 710 . . 443 ALA CB . 27209 1 794 . 1 . 1 188 188 ALA N N 15 117.883 0.015 . 1 . . 216 . . 443 ALA N . 27209 1 795 . 1 . 1 189 189 SER H H 1 7.830 0.002 . 1 . . 139 . . 444 SER H . 27209 1 796 . 1 . 1 189 189 SER C C 13 174.558 0.019 . 1 . . 593 . . 444 SER C . 27209 1 797 . 1 . 1 189 189 SER CA C 13 58.027 0.01 . 1 . . 595 . . 444 SER CA . 27209 1 798 . 1 . 1 189 189 SER CB C 13 64.500 0.025 . 1 . . 594 . . 444 SER CB . 27209 1 799 . 1 . 1 189 189 SER N N 15 112.205 0.012 . 1 . . 140 . . 444 SER N . 27209 1 800 . 1 . 1 190 190 ARG H H 1 8.678 0.003 . 1 . . 87 . . 445 ARG H . 27209 1 801 . 1 . 1 190 190 ARG C C 13 174.443 0.005 . 1 . . 497 . . 445 ARG C . 27209 1 802 . 1 . 1 190 190 ARG CA C 13 55.632 0.01 . 1 . . 499 . . 445 ARG CA . 27209 1 803 . 1 . 1 190 190 ARG CB C 13 25.489 0.033 . 1 . . 498 . . 445 ARG CB . 27209 1 804 . 1 . 1 190 190 ARG N N 15 119.326 0.009 . 1 . . 88 . . 445 ARG N . 27209 1 805 . 1 . 1 191 191 ASN H H 1 7.682 0.002 . 1 . . 159 . . 446 ASN H . 27209 1 806 . 1 . 1 191 191 ASN C C 13 174.136 0.004 . 1 . . 619 . . 446 ASN C . 27209 1 807 . 1 . 1 191 191 ASN CA C 13 50.791 0.002 . 1 . . 621 . . 446 ASN CA . 27209 1 808 . 1 . 1 191 191 ASN CB C 13 37.549 0.012 . 1 . . 620 . . 446 ASN CB . 27209 1 809 . 1 . 1 191 191 ASN N N 15 118.346 0.016 . 1 . . 160 . . 446 ASN N . 27209 1 810 . 1 . 1 192 192 LEU H H 1 8.944 0.003 . 1 . . 189 . . 447 LEU H . 27209 1 811 . 1 . 1 192 192 LEU C C 13 176.932 0.02 . 1 . . 669 . . 447 LEU C . 27209 1 812 . 1 . 1 192 192 LEU CA C 13 57.143 0.002 . 1 . . 671 . . 447 LEU CA . 27209 1 813 . 1 . 1 192 192 LEU CB C 13 40.893 0.012 . 1 . . 670 . . 447 LEU CB . 27209 1 814 . 1 . 1 192 192 LEU N N 15 125.323 0.01 . 1 . . 190 . . 447 LEU N . 27209 1 815 . 1 . 1 193 193 GLN H H 1 8.302 0.003 . 1 . . 155 . . 448 GLN H . 27209 1 816 . 1 . 1 193 193 GLN C C 13 177.163 0.006 . 1 . . 614 . . 448 GLN C . 27209 1 817 . 1 . 1 193 193 GLN CA C 13 58.968 0.016 . 1 . . 895 . . 448 GLN CA . 27209 1 818 . 1 . 1 193 193 GLN CB C 13 26.318 0.03 . 1 . . 615 . . 448 GLN CB . 27209 1 819 . 1 . 1 193 193 GLN N N 15 118.981 0.039 . 1 . . 156 . . 448 GLN N . 27209 1 820 . 1 . 1 194 194 ASP H H 1 7.437 0.003 . 1 . . 199 . . 449 ASP H . 27209 1 821 . 1 . 1 194 194 ASP C C 13 177.703 0.002 . 1 . . 685 . . 449 ASP C . 27209 1 822 . 1 . 1 194 194 ASP CA C 13 56.205 0.003 . 1 . . 683 . . 449 ASP CA . 27209 1 823 . 1 . 1 194 194 ASP CB C 13 40.520 0.004 . 1 . . 684 . . 449 ASP CB . 27209 1 824 . 1 . 1 194 194 ASP N N 15 118.915 0.019 . 1 . . 200 . . 449 ASP N . 27209 1 825 . 1 . 1 195 195 VAL H H 1 7.545 0.002 . 1 . . 283 . . 450 VAL H . 27209 1 826 . 1 . 1 195 195 VAL C C 13 177.636 0.007 . 1 . . 800 . . 450 VAL C . 27209 1 827 . 1 . 1 195 195 VAL CA C 13 65.563 0.007 . 1 . . 802 . . 450 VAL CA . 27209 1 828 . 1 . 1 195 195 VAL CB C 13 30.671 0.012 . 1 . . 801 . . 450 VAL CB . 27209 1 829 . 1 . 1 195 195 VAL N N 15 118.833 0.015 . 1 . . 284 . . 450 VAL N . 27209 1 830 . 1 . 1 196 196 VAL H H 1 8.183 0.003 . 1 . . 177 . . 451 VAL H . 27209 1 831 . 1 . 1 196 196 VAL C C 13 176.870 0.034 . 1 . . 651 . . 451 VAL C . 27209 1 832 . 1 . 1 196 196 VAL CA C 13 66.175 0.003 . 1 . . 653 . . 451 VAL CA . 27209 1 833 . 1 . 1 196 196 VAL CB C 13 30.047 0.013 . 1 . . 652 . . 451 VAL CB . 27209 1 834 . 1 . 1 196 196 VAL N N 15 118.653 0.024 . 1 . . 178 . . 451 VAL N . 27209 1 835 . 1 . 1 197 197 GLU H H 1 8.307 0.002 . 1 . . 329 . . 452 GLU H . 27209 1 836 . 1 . 1 197 197 GLU C C 13 178.849 0.001 . 1 . . 879 . . 452 GLU C . 27209 1 837 . 1 . 1 197 197 GLU CA C 13 58.922 0.03 . 1 . . 877 . . 452 GLU CA . 27209 1 838 . 1 . 1 197 197 GLU CB C 13 27.755 0.025 . 1 . . 878 . . 452 GLU CB . 27209 1 839 . 1 . 1 197 197 GLU N N 15 118.770 0.091 . 1 . . 330 . . 452 GLU N . 27209 1 840 . 1 . 1 198 198 ARG H H 1 7.869 0.002 . 1 . . 65 . . 453 ARG H . 27209 1 841 . 1 . 1 198 198 ARG C C 13 178.719 0.017 . 1 . . 465 . . 453 ARG C . 27209 1 842 . 1 . 1 198 198 ARG CA C 13 58.406 0.002 . 1 . . 463 . . 453 ARG CA . 27209 1 843 . 1 . 1 198 198 ARG CB C 13 28.417 0.014 . 1 . . 464 . . 453 ARG CB . 27209 1 844 . 1 . 1 198 198 ARG N N 15 119.182 0.038 . 1 . . 66 . . 453 ARG N . 27209 1 845 . 1 . 1 199 199 VAL H H 1 7.668 0.003 . 1 . . 247 . . 454 VAL H . 27209 1 846 . 1 . 1 199 199 VAL C C 13 178.372 0.008 . 1 . . 897 . . 454 VAL C . 27209 1 847 . 1 . 1 199 199 VAL CA C 13 64.566 0.008 . 1 . . 655 . . 454 VAL CA . 27209 1 848 . 1 . 1 199 199 VAL CB C 13 30.260 0.05 . 1 . . 896 . . 454 VAL CB . 27209 1 849 . 1 . 1 199 199 VAL N N 15 119.201 0.029 . 1 . . 248 . . 454 VAL N . 27209 1 850 . 1 . 1 200 200 LEU H H 1 8.083 0.002 . 1 . . 85 . . 455 LEU H . 27209 1 851 . 1 . 1 200 200 LEU C C 13 178.613 0.002 . 1 . . 494 . . 455 LEU C . 27209 1 852 . 1 . 1 200 200 LEU CA C 13 56.150 0.001 . 1 . . 496 . . 455 LEU CA . 27209 1 853 . 1 . 1 200 200 LEU CB C 13 39.716 0.009 . 1 . . 495 . . 455 LEU CB . 27209 1 854 . 1 . 1 200 200 LEU N N 15 120.112 0.037 . 1 . . 86 . . 455 LEU N . 27209 1 855 . 1 . 1 201 201 HIS H H 1 8.118 0.003 . 1 . . 93 . . 456 HIS H . 27209 1 856 . 1 . 1 201 201 HIS C C 13 175.314 0.001 . 1 . . 898 . . 456 HIS C . 27209 1 857 . 1 . 1 201 201 HIS CA C 13 56.340 0.0 . 1 . . 518 . . 456 HIS CA . 27209 1 858 . 1 . 1 201 201 HIS CB C 13 27.419 0.05 . 1 . . 517 . . 456 HIS CB . 27209 1 859 . 1 . 1 201 201 HIS N N 15 117.868 0.026 . 1 . . 94 . . 456 HIS N . 27209 1 860 . 1 . 1 202 202 ASN H H 1 8.076 0.003 . 1 . . 267 . . 457 ASN H . 27209 1 861 . 1 . 1 202 202 ASN C C 13 175.366 0.009 . 1 . . 776 . . 457 ASN C . 27209 1 862 . 1 . 1 202 202 ASN CA C 13 53.536 0.001 . 1 . . 778 . . 457 ASN CA . 27209 1 863 . 1 . 1 202 202 ASN CB C 13 37.436 0.011 . 1 . . 777 . . 457 ASN CB . 27209 1 864 . 1 . 1 202 202 ASN N N 15 119.466 0.012 . 1 . . 268 . . 457 ASN N . 27209 1 865 . 1 . 1 203 203 ALA H H 1 7.955 0.003 . 1 . . 327 . . 458 ALA H . 27209 1 866 . 1 . 1 203 203 ALA C C 13 177.727 0.001 . 1 . . 874 . . 458 ALA C . 27209 1 867 . 1 . 1 203 203 ALA CA C 13 52.445 0.001 . 1 . . 876 . . 458 ALA CA . 27209 1 868 . 1 . 1 203 203 ALA CB C 13 17.592 0.009 . 1 . . 875 . . 458 ALA CB . 27209 1 869 . 1 . 1 203 203 ALA N N 15 123.541 0.009 . 1 . . 328 . . 458 ALA N . 27209 1 870 . 1 . 1 204 204 GLN H H 1 7.942 0.003 . 1 . . 51 . . 459 GLN H . 27209 1 871 . 1 . 1 204 204 GLN C C 13 176.055 0.003 . 1 . . 437 . . 459 GLN C . 27209 1 872 . 1 . 1 204 204 GLN CA C 13 55.481 0.003 . 1 . . 439 . . 459 GLN CA . 27209 1 873 . 1 . 1 204 204 GLN CB C 13 27.968 0.011 . 1 . . 438 . . 459 GLN CB . 27209 1 874 . 1 . 1 204 204 GLN N N 15 118.661 0.008 . 1 . . 52 . . 459 GLN N . 27209 1 875 . 1 . 1 205 205 GLU H H 1 8.048 0.002 . 1 . . 281 . . 460 GLU H . 27209 1 876 . 1 . 1 205 205 GLU C C 13 176.429 0.007 . 1 . . 797 . . 460 GLU C . 27209 1 877 . 1 . 1 205 205 GLU CA C 13 55.952 0.004 . 1 . . 799 . . 460 GLU CA . 27209 1 878 . 1 . 1 205 205 GLU CB C 13 28.712 0.008 . 1 . . 798 . . 460 GLU CB . 27209 1 879 . 1 . 1 205 205 GLU N N 15 121.923 0.008 . 1 . . 282 . . 460 GLU N . 27209 1 880 . 1 . 1 206 206 VAL H H 1 7.920 0.002 . 1 . . 81 . . 461 VAL H . 27209 1 881 . 1 . 1 206 206 VAL C C 13 175.949 0.001 . 1 . . 488 . . 461 VAL C . 27209 1 882 . 1 . 1 206 206 VAL CA C 13 61.841 0.002 . 1 . . 490 . . 461 VAL CA . 27209 1 883 . 1 . 1 206 206 VAL CB C 13 31.232 0.02 . 1 . . 489 . . 461 VAL CB . 27209 1 884 . 1 . 1 206 206 VAL N N 15 120.968 0.009 . 1 . . 82 . . 461 VAL N . 27209 1 885 . 1 . 1 207 207 GLU H H 1 8.201 0.002 . 1 . . 285 . . 462 GLU H . 27209 1 886 . 1 . 1 207 207 GLU C C 13 175.978 0.006 . 1 . . 803 . . 462 GLU C . 27209 1 887 . 1 . 1 207 207 GLU CA C 13 55.811 0.002 . 1 . . 805 . . 462 GLU CA . 27209 1 888 . 1 . 1 207 207 GLU CB C 13 28.644 0.019 . 1 . . 804 . . 462 GLU CB . 27209 1 889 . 1 . 1 207 207 GLU N N 15 124.012 0.008 . 1 . . 286 . . 462 GLU N . 27209 1 890 . 1 . 1 208 208 LYS H H 1 8.091 0.002 . 1 . . 313 . . 463 LYS H . 27209 1 891 . 1 . 1 208 208 LYS C C 13 176.014 0.006 . 1 . . 852 . . 463 LYS C . 27209 1 892 . 1 . 1 208 208 LYS CA C 13 55.619 0.033 . 1 . . 854 . . 463 LYS CA . 27209 1 893 . 1 . 1 208 208 LYS CB C 13 31.737 0.005 . 1 . . 853 . . 463 LYS CB . 27209 1 894 . 1 . 1 208 208 LYS N N 15 122.641 0.008 . 1 . . 314 . . 463 LYS N . 27209 1 895 . 1 . 1 209 209 GLU H H 1 8.154 0.002 . 1 . . 211 . . 464 GLU H . 27209 1 896 . 1 . 1 209 209 GLU C C 13 174.097 . . 1 . . 703 . . 464 GLU C . 27209 1 897 . 1 . 1 209 209 GLU CA C 13 53.465 . . 1 . . 705 . . 464 GLU CA . 27209 1 898 . 1 . 1 209 209 GLU CB C 13 28.291 . . 1 . . 704 . . 464 GLU CB . 27209 1 899 . 1 . 1 209 209 GLU N N 15 122.343 0.019 . 1 . . 212 . . 464 GLU N . 27209 1 900 . 1 . 1 210 210 PRO C C 13 177.571 . . 1 . . 885 . . 465 PRO C . 27209 1 901 . 1 . 1 210 210 PRO CA C 13 63.019 . . 1 . . 883 . . 465 PRO CA . 27209 1 902 . 1 . 1 210 210 PRO CB C 13 30.563 . . 1 . . 884 . . 465 PRO CB . 27209 1 903 . 1 . 1 211 211 GLY H H 1 8.469 0.003 . 1 . . 217 . . 466 GLY H . 27209 1 904 . 1 . 1 211 211 GLY C C 13 174.001 0.005 . 1 . . 712 . . 466 GLY C . 27209 1 905 . 1 . 1 211 211 GLY CA C 13 44.564 0.002 . 1 . . 713 . . 466 GLY CA . 27209 1 906 . 1 . 1 211 211 GLY N N 15 109.404 0.009 . 1 . . 218 . . 466 GLY N . 27209 1 907 . 1 . 1 212 212 GLN H H 1 8.009 0.002 . 1 . . 77 . . 467 GLN H . 27209 1 908 . 1 . 1 212 212 GLN C C 13 175.656 0.01 . 1 . . 482 . . 467 GLN C . 27209 1 909 . 1 . 1 212 212 GLN CA C 13 54.962 0.001 . 1 . . 484 . . 467 GLN CA . 27209 1 910 . 1 . 1 212 212 GLN CB C 13 28.047 0.02 . 1 . . 483 . . 467 GLN CB . 27209 1 911 . 1 . 1 212 212 GLN N N 15 120.307 0.012 . 1 . . 78 . . 467 GLN N . 27209 1 912 . 1 . 1 213 213 ARG H H 1 8.192 0.002 . 1 . . 299 . . 468 ARG H . 27209 1 913 . 1 . 1 213 213 ARG C C 13 175.930 0.011 . 1 . . 830 . . 468 ARG C . 27209 1 914 . 1 . 1 213 213 ARG CA C 13 55.460 0.005 . 1 . . 828 . . 468 ARG CA . 27209 1 915 . 1 . 1 213 213 ARG CB C 13 29.106 0.009 . 1 . . 829 . . 468 ARG CB . 27209 1 916 . 1 . 1 213 213 ARG N N 15 122.634 0.012 . 1 . . 300 . . 468 ARG N . 27209 1 917 . 1 . 1 214 214 ARG H H 1 8.261 0.002 . 1 . . 23 . . 469 ARG H . 27209 1 918 . 1 . 1 214 214 ARG C C 13 175.522 0.007 . 1 . . 382 . . 469 ARG C . 27209 1 919 . 1 . 1 214 214 ARG CA C 13 55.157 0.021 . 1 . . 384 . . 469 ARG CA . 27209 1 920 . 1 . 1 214 214 ARG CB C 13 29.376 0.02 . 1 . . 383 . . 469 ARG CB . 27209 1 921 . 1 . 1 214 214 ARG N N 15 123.344 0.015 . 1 . . 24 . . 469 ARG N . 27209 1 922 . 1 . 1 215 215 ALA H H 1 8.226 0.002 . 1 . . 263 . . 470 ALA H . 27209 1 923 . 1 . 1 215 215 ALA C C 13 177.156 0.003 . 1 . . 770 . . 470 ALA C . 27209 1 924 . 1 . 1 215 215 ALA CA C 13 51.491 0.002 . 1 . . 772 . . 470 ALA CA . 27209 1 925 . 1 . 1 215 215 ALA CB C 13 17.869 0.001 . 1 . . 771 . . 470 ALA CB . 27209 1 926 . 1 . 1 215 215 ALA N N 15 126.003 0.021 . 1 . . 264 . . 470 ALA N . 27209 1 927 . 1 . 1 216 216 LEU H H 1 8.145 0.002 . 1 . . 1 . . 471 LEU H . 27209 1 928 . 1 . 1 216 216 LEU C C 13 176.978 0.026 . 1 . . 339 . . 471 LEU C . 27209 1 929 . 1 . 1 216 216 LEU CA C 13 54.299 0.013 . 1 . . 337 . . 471 LEU CA . 27209 1 930 . 1 . 1 216 216 LEU CB C 13 40.889 0.013 . 1 . . 338 . . 471 LEU CB . 27209 1 931 . 1 . 1 216 216 LEU N N 15 122.131 0.016 . 1 . . 2 . . 471 LEU N . 27209 1 932 . 1 . 1 217 217 SER H H 1 8.118 0.002 . 1 . . 321 . . 472 SER H . 27209 1 933 . 1 . 1 217 217 SER C C 13 173.973 0.011 . 1 . . 865 . . 472 SER C . 27209 1 934 . 1 . 1 217 217 SER CA C 13 57.312 0.006 . 1 . . 867 . . 472 SER CA . 27209 1 935 . 1 . 1 217 217 SER CB C 13 63.186 0.01 . 1 . . 866 . . 472 SER CB . 27209 1 936 . 1 . 1 217 217 SER N N 15 117.289 0.008 . 1 . . 322 . . 472 SER N . 27209 1 937 . 1 . 1 218 218 VAL H H 1 8.035 0.002 . 1 . . 39 . . 473 VAL H . 27209 1 938 . 1 . 1 218 218 VAL C C 13 175.606 0.008 . 1 . . 415 . . 473 VAL C . 27209 1 939 . 1 . 1 218 218 VAL CA C 13 61.387 0.005 . 1 . . 417 . . 473 VAL CA . 27209 1 940 . 1 . 1 218 218 VAL CB C 13 31.351 0.022 . 1 . . 416 . . 473 VAL CB . 27209 1 941 . 1 . 1 218 218 VAL N N 15 122.477 0.014 . 1 . . 40 . . 473 VAL N . 27209 1 942 . 1 . 1 219 219 GLN H H 1 8.276 0.002 . 1 . . 229 . . 474 GLN H . 27209 1 943 . 1 . 1 219 219 GLN C C 13 175.016 0.003 . 1 . . 731 . . 474 GLN C . 27209 1 944 . 1 . 1 219 219 GLN CA C 13 54.803 0.001 . 1 . . 729 . . 474 GLN CA . 27209 1 945 . 1 . 1 219 219 GLN CB C 13 28.125 0.017 . 1 . . 730 . . 474 GLN CB . 27209 1 946 . 1 . 1 219 219 GLN N N 15 124.567 0.016 . 1 . . 230 . . 474 GLN N . 27209 1 947 . 1 . 1 220 220 ALA H H 1 8.237 0.003 . 1 . . 237 . . 475 ALA H . 27209 1 948 . 1 . 1 220 220 ALA C C 13 176.972 0.009 . 1 . . 735 . . 475 ALA C . 27209 1 949 . 1 . 1 220 220 ALA CA C 13 51.570 0.009 . 1 . . 737 . . 475 ALA CA . 27209 1 950 . 1 . 1 220 220 ALA CB C 13 18.066 . . 1 . . 736 . . 475 ALA CB . 27209 1 951 . 1 . 1 220 220 ALA N N 15 126.447 0.052 . 1 . . 238 . . 475 ALA N . 27209 1 952 . 1 . 1 221 221 SER H H 1 8.156 0.003 . 1 . . 185 . . 476 SER H . 27209 1 953 . 1 . 1 221 221 SER C C 13 172.978 0.008 . 1 . . 662 . . 476 SER C . 27209 1 954 . 1 . 1 221 221 SER CA C 13 57.346 0.006 . 1 . . 665 . . 476 SER CA . 27209 1 955 . 1 . 1 221 221 SER CB C 13 63.327 0.01 . 1 . . 664 . . 476 SER CB . 27209 1 956 . 1 . 1 221 221 SER N N 15 116.499 0.011 . 1 . . 186 . . 476 SER N . 27209 1 957 . 1 . 1 222 222 LEU H H 1 7.807 0.002 . 1 . . 55 . . 477 LEU H . 27209 1 958 . 1 . 1 222 222 LEU C C 13 182.006 . . 1 . . 443 . . 477 LEU C . 27209 1 959 . 1 . 1 222 222 LEU CA C 13 55.946 . . 1 . . 445 . . 477 LEU CA . 27209 1 960 . 1 . 1 222 222 LEU CB C 13 41.767 . . 1 . . 444 . . 477 LEU CB . 27209 1 961 . 1 . 1 222 222 LEU N N 15 130.430 0.016 . 1 . . 56 . . 477 LEU N . 27209 1 stop_ save_