data_15366 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15366 _Entry.Title ; Human eRF1 C-domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-05 _Entry.Accession_date 2007-07-05 _Entry.Last_release_date 2015-09-03 _Entry.Original_release_date 2015-09-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Alexey Mantsyzov . B. . 15366 2 Vladimir Polshakov . I. . 15366 3 Berry Birdsall . . . 15366 4 Lev Kisselev . L. . 15366 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Magnetic Tomography & Spectroscopy, Moscow State University' . 15366 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15366 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 15366 '15N chemical shifts' 160 15366 '1H chemical shifts' 160 15366 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 . . 2009-08-31 2007-07-05 update BMRB 'correct entry citation' 15366 1 . . 2008-01-28 2007-07-05 original author 'original release' 15366 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6116 'Human eRF1 N-domain' 15366 BMRB 6763 'Human eRF1 middle domain' 15366 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15366 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636860 _Citation.Full_citation . _Citation.Title ; NMR assignments of the C-terminal domain of human polypeptide release factor eRF1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 183 _Citation.Page_last 185 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 Alexey Mantsyzov . B. . 15366 1 2 Elena Ivanova . V. . 15366 1 3 Berry Birdsall . . . 15366 1 4 Petr Kolosov . M. . 15366 1 5 Lev Kisselev . L. . 15366 1 6 Vladimir Polshakov . I. . 15366 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15366 _Assembly.ID 1 _Assembly.Name 'Human eRF1 C-domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Human eRF1 C-domain' 1 $C-domain_of_human_polypeptide_release_factor_eRF1 A . yes native yes no . . . 15366 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-domain_of_human_polypeptide_release_factor_eRF1 _Entity.Sf_category entity _Entity.Sf_framecode C-domain_of_human_polypeptide_release_factor_eRF1 _Entity.Entry_ID 15366 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-domain_of_human_polypeptide_release_factor_eRF1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSNVKFIQEKKLIGRYFDEI SQDTGKYCFGVEDTLKALEM GAVEILIVYENLDIMRYVLH CQGTEEEKILYLTPEQEKDK SHFTDKETGQEHELIESMPL LEWFANNYKKFGATLEIVTD KSQEGSQFVKGFGGIGGILR YRVDFQGMEYQGGDDEFFDL DDYLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; M, 275 S, 276 N, 277 ... H, 444 H, 445 ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 no BMRB 19506 . eRF1 . . . . . 100.00 445 99.42 100.00 5.93e-119 . . . . 15366 1 2 no PDB 1DT9 . "The Crystal Structure Of Human Eukaryotic Release Factor Erf1-Mechanism Of Stop Codon Recognition And Peptidyl-Trna Hydrolysis" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 3 no PDB 2KTU . 'Human Erf1 C-Domain, "closed" Conformer' . . . . . 99.42 170 100.00 100.00 3.05e-119 . . . . 15366 1 4 no PDB 2KTV . 'Human Erf1 C-Domain, "open" Conformer' . . . . . 99.42 170 100.00 100.00 3.05e-119 . . . . 15366 1 5 no PDB 3E1Y . "Crystal Structure Of Human Erf1ERF3 COMPLEX" . . . . . 95.32 451 99.39 100.00 4.40e-111 . . . . 15366 1 6 no PDB 3J5Y . "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" . . . . . 85.38 414 99.32 100.00 7.37e-98 . . . . 15366 1 7 no PDB 4D5N . "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " . . . . . 97.08 436 99.40 100.00 5.21e-114 . . . . 15366 1 8 no PDB 4D61 . "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " . . . . . 97.08 436 99.40 100.00 5.21e-114 . . . . 15366 1 9 no DBJ BAA13439 . "eRF1 [Mus musculus]" . . . . . 95.32 338 98.77 100.00 2.18e-111 . . . . 15366 1 10 no DBJ BAA85489 . "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 11 no DBJ BAC33839 . "unnamed protein product [Mus musculus]" . . . . . 95.32 437 99.39 100.00 1.14e-111 . . . . 15366 1 12 no DBJ BAE31210 . "unnamed protein product [Mus musculus]" . . . . . 95.32 387 99.39 100.00 1.16e-111 . . . . 15366 1 13 no DBJ BAE31619 . "unnamed protein product [Mus musculus]" . . . . . 95.32 387 99.39 100.00 1.16e-111 . . . . 15366 1 14 no EMBL CAA57281 . "C11 protein [Homo sapiens]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 15 no EMBL CAA57282 . "C11 protein [Mesocricetus auratus]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 16 no EMBL CAH93389 . "hypothetical protein [Pongo abelii]" . . . . . 95.32 437 98.77 99.39 2.14e-110 . . . . 15366 1 17 no GB AAB49726 . "eukaryotic release factor 1 [Homo sapiens]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 18 no GB AAD43966 . "eRF1 [Homo sapiens]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 19 no GB AAH13717 . "Eukaryotic translation termination factor 1 [Mus musculus]" . . . . . 95.32 437 99.39 100.00 1.32e-111 . . . . 15366 1 20 no GB AAH14269 . "ETF1 protein [Homo sapiens]" . . . . . 95.32 404 99.39 100.00 1.00e-111 . . . . 15366 1 21 no GB AAH85902 . "Eukaryotic translation termination factor 1 [Rattus norvegicus]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 22 no REF NP_001008345 . "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 23 no REF NP_001069722 . "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 24 no REF NP_001076236 . "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 25 no REF NP_001126989 . "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" . . . . . 95.32 437 98.77 99.39 2.14e-110 . . . . 15366 1 26 no REF NP_001239075 . "eukaryotic peptide chain release factor subunit 1 [Canis lupus familiaris]" . . . . . 95.32 437 98.77 99.39 8.06e-111 . . . . 15366 1 27 no SP P62495 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=P" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 28 no SP P62496 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=Protein Cl1; Short=eR" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 29 no SP P62497 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 30 no SP Q0VCX5 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 1 31 no SP Q5R4C7 . "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" . . . . . 95.32 437 98.77 99.39 2.14e-110 . . . . 15366 1 32 no TPG DAA27419 . "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" . . . . . 95.32 437 99.39 100.00 1.64e-111 . . . . 15366 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 1 275 MET . 15366 1 2 276 SER . 15366 1 3 277 ASN . 15366 1 4 278 VAL . 15366 1 5 279 LYS . 15366 1 6 280 PHE . 15366 1 7 281 ILE . 15366 1 8 282 GLN . 15366 1 9 283 GLU . 15366 1 10 284 LYS . 15366 1 11 285 LYS . 15366 1 12 286 LEU . 15366 1 13 287 ILE . 15366 1 14 288 GLY . 15366 1 15 289 ARG . 15366 1 16 290 TYR . 15366 1 17 291 PHE . 15366 1 18 292 ASP . 15366 1 19 293 GLU . 15366 1 20 294 ILE . 15366 1 21 295 SER . 15366 1 22 296 GLN . 15366 1 23 297 ASP . 15366 1 24 298 THR . 15366 1 25 299 GLY . 15366 1 26 300 LYS . 15366 1 27 301 TYR . 15366 1 28 302 CYS . 15366 1 29 303 PHE . 15366 1 30 304 GLY . 15366 1 31 305 VAL . 15366 1 32 306 GLU . 15366 1 33 307 ASP . 15366 1 34 308 THR . 15366 1 35 309 LEU . 15366 1 36 310 LYS . 15366 1 37 311 ALA . 15366 1 38 312 LEU . 15366 1 39 313 GLU . 15366 1 40 314 MET . 15366 1 41 315 GLY . 15366 1 42 316 ALA . 15366 1 43 317 VAL . 15366 1 44 318 GLU . 15366 1 45 319 ILE . 15366 1 46 320 LEU . 15366 1 47 321 ILE . 15366 1 48 322 VAL . 15366 1 49 323 TYR . 15366 1 50 324 GLU . 15366 1 51 325 ASN . 15366 1 52 326 LEU . 15366 1 53 327 ASP . 15366 1 54 328 ILE . 15366 1 55 329 MET . 15366 1 56 330 ARG . 15366 1 57 331 TYR . 15366 1 58 332 VAL . 15366 1 59 333 LEU . 15366 1 60 334 HIS . 15366 1 61 335 CYS . 15366 1 62 336 GLN . 15366 1 63 337 GLY . 15366 1 64 338 THR . 15366 1 65 339 GLU . 15366 1 66 340 GLU . 15366 1 67 341 GLU . 15366 1 68 342 LYS . 15366 1 69 343 ILE . 15366 1 70 344 LEU . 15366 1 71 345 TYR . 15366 1 72 346 LEU . 15366 1 73 347 THR . 15366 1 74 348 PRO . 15366 1 75 349 GLU . 15366 1 76 350 GLN . 15366 1 77 351 GLU . 15366 1 78 352 LYS . 15366 1 79 353 ASP . 15366 1 80 354 LYS . 15366 1 81 355 SER . 15366 1 82 356 HIS . 15366 1 83 357 PHE . 15366 1 84 358 THR . 15366 1 85 359 ASP . 15366 1 86 360 LYS . 15366 1 87 361 GLU . 15366 1 88 362 THR . 15366 1 89 363 GLY . 15366 1 90 364 GLN . 15366 1 91 365 GLU . 15366 1 92 366 HIS . 15366 1 93 367 GLU . 15366 1 94 368 LEU . 15366 1 95 369 ILE . 15366 1 96 370 GLU . 15366 1 97 371 SER . 15366 1 98 372 MET . 15366 1 99 373 PRO . 15366 1 100 374 LEU . 15366 1 101 375 LEU . 15366 1 102 376 GLU . 15366 1 103 377 TRP . 15366 1 104 378 PHE . 15366 1 105 379 ALA . 15366 1 106 380 ASN . 15366 1 107 381 ASN . 15366 1 108 382 TYR . 15366 1 109 383 LYS . 15366 1 110 384 LYS . 15366 1 111 385 PHE . 15366 1 112 386 GLY . 15366 1 113 387 ALA . 15366 1 114 388 THR . 15366 1 115 389 LEU . 15366 1 116 390 GLU . 15366 1 117 391 ILE . 15366 1 118 392 VAL . 15366 1 119 393 THR . 15366 1 120 394 ASP . 15366 1 121 395 LYS . 15366 1 122 396 SER . 15366 1 123 397 GLN . 15366 1 124 398 GLU . 15366 1 125 399 GLY . 15366 1 126 400 SER . 15366 1 127 401 GLN . 15366 1 128 402 PHE . 15366 1 129 403 VAL . 15366 1 130 404 LYS . 15366 1 131 405 GLY . 15366 1 132 406 PHE . 15366 1 133 407 GLY . 15366 1 134 408 GLY . 15366 1 135 409 ILE . 15366 1 136 410 GLY . 15366 1 137 411 GLY . 15366 1 138 412 ILE . 15366 1 139 413 LEU . 15366 1 140 414 ARG . 15366 1 141 415 TYR . 15366 1 142 416 ARG . 15366 1 143 417 VAL . 15366 1 144 418 ASP . 15366 1 145 419 PHE . 15366 1 146 420 GLN . 15366 1 147 421 GLY . 15366 1 148 422 MET . 15366 1 149 423 GLU . 15366 1 150 424 TYR . 15366 1 151 425 GLN . 15366 1 152 426 GLY . 15366 1 153 427 GLY . 15366 1 154 428 ASP . 15366 1 155 429 ASP . 15366 1 156 430 GLU . 15366 1 157 431 PHE . 15366 1 158 432 PHE . 15366 1 159 433 ASP . 15366 1 160 434 LEU . 15366 1 161 435 ASP . 15366 1 162 436 ASP . 15366 1 163 437 TYR . 15366 1 164 438 LEU . 15366 1 165 439 GLU . 15366 1 166 440 HIS . 15366 1 167 441 HIS . 15366 1 168 442 HIS . 15366 1 169 443 HIS . 15366 1 170 444 HIS . 15366 1 171 445 HIS . 15366 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15366 1 . SER 2 2 15366 1 . ASN 3 3 15366 1 . VAL 4 4 15366 1 . LYS 5 5 15366 1 . PHE 6 6 15366 1 . ILE 7 7 15366 1 . GLN 8 8 15366 1 . GLU 9 9 15366 1 . LYS 10 10 15366 1 . LYS 11 11 15366 1 . LEU 12 12 15366 1 . ILE 13 13 15366 1 . GLY 14 14 15366 1 . ARG 15 15 15366 1 . TYR 16 16 15366 1 . PHE 17 17 15366 1 . ASP 18 18 15366 1 . GLU 19 19 15366 1 . ILE 20 20 15366 1 . SER 21 21 15366 1 . GLN 22 22 15366 1 . ASP 23 23 15366 1 . THR 24 24 15366 1 . GLY 25 25 15366 1 . LYS 26 26 15366 1 . TYR 27 27 15366 1 . CYS 28 28 15366 1 . PHE 29 29 15366 1 . GLY 30 30 15366 1 . VAL 31 31 15366 1 . GLU 32 32 15366 1 . ASP 33 33 15366 1 . THR 34 34 15366 1 . LEU 35 35 15366 1 . LYS 36 36 15366 1 . ALA 37 37 15366 1 . LEU 38 38 15366 1 . GLU 39 39 15366 1 . MET 40 40 15366 1 . GLY 41 41 15366 1 . ALA 42 42 15366 1 . VAL 43 43 15366 1 . GLU 44 44 15366 1 . ILE 45 45 15366 1 . LEU 46 46 15366 1 . ILE 47 47 15366 1 . VAL 48 48 15366 1 . TYR 49 49 15366 1 . GLU 50 50 15366 1 . ASN 51 51 15366 1 . LEU 52 52 15366 1 . ASP 53 53 15366 1 . ILE 54 54 15366 1 . MET 55 55 15366 1 . ARG 56 56 15366 1 . TYR 57 57 15366 1 . VAL 58 58 15366 1 . LEU 59 59 15366 1 . HIS 60 60 15366 1 . CYS 61 61 15366 1 . GLN 62 62 15366 1 . GLY 63 63 15366 1 . THR 64 64 15366 1 . GLU 65 65 15366 1 . GLU 66 66 15366 1 . GLU 67 67 15366 1 . LYS 68 68 15366 1 . ILE 69 69 15366 1 . LEU 70 70 15366 1 . TYR 71 71 15366 1 . LEU 72 72 15366 1 . THR 73 73 15366 1 . PRO 74 74 15366 1 . GLU 75 75 15366 1 . GLN 76 76 15366 1 . GLU 77 77 15366 1 . LYS 78 78 15366 1 . ASP 79 79 15366 1 . LYS 80 80 15366 1 . SER 81 81 15366 1 . HIS 82 82 15366 1 . PHE 83 83 15366 1 . THR 84 84 15366 1 . ASP 85 85 15366 1 . LYS 86 86 15366 1 . GLU 87 87 15366 1 . THR 88 88 15366 1 . GLY 89 89 15366 1 . GLN 90 90 15366 1 . GLU 91 91 15366 1 . HIS 92 92 15366 1 . GLU 93 93 15366 1 . LEU 94 94 15366 1 . ILE 95 95 15366 1 . GLU 96 96 15366 1 . SER 97 97 15366 1 . MET 98 98 15366 1 . PRO 99 99 15366 1 . LEU 100 100 15366 1 . LEU 101 101 15366 1 . GLU 102 102 15366 1 . TRP 103 103 15366 1 . PHE 104 104 15366 1 . ALA 105 105 15366 1 . ASN 106 106 15366 1 . ASN 107 107 15366 1 . TYR 108 108 15366 1 . LYS 109 109 15366 1 . LYS 110 110 15366 1 . PHE 111 111 15366 1 . GLY 112 112 15366 1 . ALA 113 113 15366 1 . THR 114 114 15366 1 . LEU 115 115 15366 1 . GLU 116 116 15366 1 . ILE 117 117 15366 1 . VAL 118 118 15366 1 . THR 119 119 15366 1 . ASP 120 120 15366 1 . LYS 121 121 15366 1 . SER 122 122 15366 1 . GLN 123 123 15366 1 . GLU 124 124 15366 1 . GLY 125 125 15366 1 . SER 126 126 15366 1 . GLN 127 127 15366 1 . PHE 128 128 15366 1 . VAL 129 129 15366 1 . LYS 130 130 15366 1 . GLY 131 131 15366 1 . PHE 132 132 15366 1 . GLY 133 133 15366 1 . GLY 134 134 15366 1 . ILE 135 135 15366 1 . GLY 136 136 15366 1 . GLY 137 137 15366 1 . ILE 138 138 15366 1 . LEU 139 139 15366 1 . ARG 140 140 15366 1 . TYR 141 141 15366 1 . ARG 142 142 15366 1 . VAL 143 143 15366 1 . ASP 144 144 15366 1 . PHE 145 145 15366 1 . GLN 146 146 15366 1 . GLY 147 147 15366 1 . MET 148 148 15366 1 . GLU 149 149 15366 1 . TYR 150 150 15366 1 . GLN 151 151 15366 1 . GLY 152 152 15366 1 . GLY 153 153 15366 1 . ASP 154 154 15366 1 . ASP 155 155 15366 1 . GLU 156 156 15366 1 . PHE 157 157 15366 1 . PHE 158 158 15366 1 . ASP 159 159 15366 1 . LEU 160 160 15366 1 . ASP 161 161 15366 1 . ASP 162 162 15366 1 . TYR 163 163 15366 1 . LEU 164 164 15366 1 . GLU 165 165 15366 1 . HIS 166 166 15366 1 . HIS 167 167 15366 1 . HIS 168 168 15366 1 . HIS 169 169 15366 1 . HIS 170 170 15366 1 . HIS 171 171 15366 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 15366 _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 $C-domain_of_human_polypeptide_release_factor_eRF1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 15366 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 15366 _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 $C-domain_of_human_polypeptide_release_factor_eRF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET23b(+) . . . 15366 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15366 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'C-domain of human polypeptide release factor eRF1' 'natural abundance' . . 1 $C-domain_of_human_polypeptide_release_factor_eRF1 . . 1 . . mM . . . . 15366 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15366 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15366 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15366 _Sample.ID 2 _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 'C-domain of human polypeptide release factor eRF1' '[U-99% 15N]' . . 1 $C-domain_of_human_polypeptide_release_factor_eRF1 . . 1.1 . . mM . . . . 15366 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15366 2 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15366 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15366 _Sample.ID 3 _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 'C-domain of human polypeptide release factor eRF1' '[U-99% 13C; U-99% 15N]' . . 1 $C-domain_of_human_polypeptide_release_factor_eRF1 . . 0.8 . . mM . . . . 15366 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15366 3 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 15366 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15366 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.08 . M 15366 1 pH 7.0 . pH 15366 1 pressure 1 . atm 15366 1 temperature 298 . K 15366 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15366 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15366 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15366 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15366 _Software.ID 2 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15366 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15366 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15366 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15366 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15366 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15366 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15366 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15366 4 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15366 _Software.ID 5 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 15366 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15366 5 stop_ save_ save_Pence _Software.Sf_category software _Software.Sf_framecode Pence _Software.Entry_ID 15366 _Software.ID 6 _Software.Name Pence _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart and Sykes' . . 15366 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15366 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15366 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15366 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15366 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 15366 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker Avance . 600 . . . 15366 1 2 spectrometer_2 Varian INOVA . 600 . . . 15366 1 3 spectrometer_3 Varian INOVA . 800 . . . 15366 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 15366 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15366 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15366 1 3 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15366 1 4 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15366 1 5 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15366 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15366 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15366 1 8 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15366 1 9 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15366 1 10 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15366 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15366 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15366 1 13 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15366 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 15366 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15366 1 H 1 water 'methyl protons' . . . . ppm 4.76 internal direct 1.000000000 . . . . . . . . . 15366 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15366 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15366 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15366 1 2 '2D 1H-13C HSQC' . . . 15366 1 9 '3D HNCO' . . . 15366 1 11 '3D 1H-15N NOESY' . . . 15366 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 3 3 ASN C C 13 175.643 0.05 . 1 . . . . 277 N C . 15366 1 2 . 1 1 3 3 ASN CA C 13 53.743 0.070 . 1 . . . . 277 N CA . 15366 1 3 . 1 1 4 4 VAL H H 1 8.179 0.008 . 1 . . . . 278 V H . 15366 1 4 . 1 1 4 4 VAL C C 13 176.673 0.05 . 1 . . . . 278 V C . 15366 1 5 . 1 1 4 4 VAL CA C 13 64.769 0.045 . 1 . . . . 278 V CA . 15366 1 6 . 1 1 4 4 VAL N N 15 120.268 0.102 . 1 . . . . 278 V N . 15366 1 7 . 1 1 5 5 LYS H H 1 8.196 0.005 . 1 . . . . 279 K H . 15366 1 8 . 1 1 5 5 LYS C C 13 177.629 0.05 . 1 . . . . 279 K C . 15366 1 9 . 1 1 5 5 LYS CA C 13 58.629 0.024 . 1 . . . . 279 K CA . 15366 1 10 . 1 1 5 5 LYS N N 15 122.592 0.048 . 1 . . . . 279 K N . 15366 1 11 . 1 1 6 6 PHE H H 1 7.896 0.004 . 1 . . . . 280 F H . 15366 1 12 . 1 1 6 6 PHE C C 13 176.690 0.05 . 1 . . . . 280 F C . 15366 1 13 . 1 1 6 6 PHE CA C 13 59.896 0.113 . 1 . . . . 280 F CA . 15366 1 14 . 1 1 6 6 PHE N N 15 119.116 0.067 . 1 . . . . 280 F N . 15366 1 15 . 1 1 7 7 ILE H H 1 7.792 0.005 . 1 . . . . 281 I H . 15366 1 16 . 1 1 7 7 ILE C C 13 177.751 0.05 . 1 . . . . 281 I C . 15366 1 17 . 1 1 7 7 ILE CA C 13 64.363 0.064 . 1 . . . . 281 I CA . 15366 1 18 . 1 1 7 7 ILE N N 15 119.475 0.076 . 1 . . . . 281 I N . 15366 1 19 . 1 1 8 8 GLN H H 1 8.126 0.005 . 1 . . . . 282 Q H . 15366 1 20 . 1 1 8 8 GLN C C 13 178.105 0.05 . 1 . . . . 282 Q C . 15366 1 21 . 1 1 8 8 GLN CA C 13 59.113 0.048 . 1 . . . . 282 Q CA . 15366 1 22 . 1 1 8 8 GLN N N 15 119.854 0.073 . 1 . . . . 282 Q N . 15366 1 23 . 1 1 9 9 GLU H H 1 8.238 0.005 . 1 . . . . 283 E H . 15366 1 24 . 1 1 9 9 GLU C C 13 177.072 0.05 . 1 . . . . 283 E C . 15366 1 25 . 1 1 9 9 GLU CA C 13 60.003 0.038 . 1 . . . . 283 E CA . 15366 1 26 . 1 1 9 9 GLU N N 15 121.267 0.101 . 1 . . . . 283 E N . 15366 1 27 . 1 1 10 10 LYS H H 1 7.847 0.008 . 1 . . . . 284 K H . 15366 1 28 . 1 1 10 10 LYS C C 13 179.463 0.05 . 1 . . . . 284 K C . 15366 1 29 . 1 1 10 10 LYS CA C 13 60.535 0.095 . 1 . . . . 284 K CA . 15366 1 30 . 1 1 10 10 LYS N N 15 118.413 0.084 . 1 . . . . 284 K N . 15366 1 31 . 1 1 11 11 LYS H H 1 7.945 0.006 . 1 . . . . 285 K H . 15366 1 32 . 1 1 11 11 LYS C C 13 178.738 0.05 . 1 . . . . 285 K C . 15366 1 33 . 1 1 11 11 LYS CA C 13 59.211 0.029 . 1 . . . . 285 K CA . 15366 1 34 . 1 1 11 11 LYS N N 15 119.685 0.058 . 1 . . . . 285 K N . 15366 1 35 . 1 1 12 12 LEU H H 1 8.085 0.005 . 1 . . . . 286 L H . 15366 1 36 . 1 1 12 12 LEU C C 13 177.451 0.05 . 1 . . . . 286 L C . 15366 1 37 . 1 1 12 12 LEU CA C 13 58.082 0.091 . 1 . . . . 286 L CA . 15366 1 38 . 1 1 12 12 LEU N N 15 122.192 0.057 . 1 . . . . 286 L N . 15366 1 39 . 1 1 13 13 ILE H H 1 8.223 0.006 . 1 . . . . 287 I H . 15366 1 40 . 1 1 13 13 ILE C C 13 177.250 0.05 . 1 . . . . 287 I C . 15366 1 41 . 1 1 13 13 ILE CA C 13 64.208 0.046 . 1 . . . . 287 I CA . 15366 1 42 . 1 1 13 13 ILE N N 15 117.423 0.058 . 1 . . . . 287 I N . 15366 1 43 . 1 1 14 14 GLY H H 1 8.003 0.006 . 1 . . . . 288 G H . 15366 1 44 . 1 1 14 14 GLY C C 13 175.405 0.05 . 1 . . . . 288 G C . 15366 1 45 . 1 1 14 14 GLY CA C 13 47.791 0.05 . 1 . . . . 288 G CA . 15366 1 46 . 1 1 14 14 GLY N N 15 107.036 0.089 . 1 . . . . 288 G N . 15366 1 47 . 1 1 15 15 ARG H H 1 7.622 0.005 . 1 . . . . 289 R H . 15366 1 48 . 1 1 15 15 ARG C C 13 178.033 0.05 . 1 . . . . 289 R C . 15366 1 49 . 1 1 15 15 ARG CA C 13 59.675 0.108 . 1 . . . . 289 R CA . 15366 1 50 . 1 1 15 15 ARG N N 15 122.102 0.072 . 1 . . . . 289 R N . 15366 1 51 . 1 1 16 16 TYR H H 1 7.640 0.011 . 1 . . . . 290 Y H . 15366 1 52 . 1 1 16 16 TYR C C 13 175.996 0.05 . 1 . . . . 290 Y C . 15366 1 53 . 1 1 16 16 TYR CA C 13 62.547 0.095 . 1 . . . . 290 Y CA . 15366 1 54 . 1 1 16 16 TYR N N 15 122.075 0.067 . 1 . . . . 290 Y N . 15366 1 55 . 1 1 17 17 PHE H H 1 8.627 0.007 . 1 . . . . 291 F H . 15366 1 56 . 1 1 17 17 PHE C C 13 178.803 0.05 . 1 . . . . 291 F C . 15366 1 57 . 1 1 17 17 PHE CA C 13 58.279 0.121 . 1 . . . . 291 F CA . 15366 1 58 . 1 1 17 17 PHE N N 15 115.689 0.104 . 1 . . . . 291 F N . 15366 1 59 . 1 1 18 18 ASP H H 1 8.447 0.004 . 1 . . . . 292 D H . 15366 1 60 . 1 1 18 18 ASP CA C 13 57.734 0.081 . 1 . . . . 292 D CA . 15366 1 61 . 1 1 18 18 ASP N N 15 122.535 0.074 . 1 . . . . 292 D N . 15366 1 62 . 1 1 19 19 GLU H H 1 7.741 0.005 . 1 . . . . 293 E H . 15366 1 63 . 1 1 19 19 GLU C C 13 178.355 0.05 . 1 . . . . 293 E C . 15366 1 64 . 1 1 19 19 GLU CA C 13 58.772 0.038 . 1 . . . . 293 E CA . 15366 1 65 . 1 1 19 19 GLU N N 15 119.495 0.014 . 1 . . . . 293 E N . 15366 1 66 . 1 1 20 20 ILE H H 1 6.913 0.008 . 1 . . . . 294 I H . 15366 1 67 . 1 1 20 20 ILE C C 13 180.271 0.05 . 1 . . . . 294 I C . 15366 1 68 . 1 1 20 20 ILE CA C 13 65.383 0.058 . 1 . . . . 294 I CA . 15366 1 69 . 1 1 20 20 ILE N N 15 117.096 0.076 . 1 . . . . 294 I N . 15366 1 70 . 1 1 21 21 SER H H 1 8.583 0.005 . 1 . . . . 295 S H . 15366 1 71 . 1 1 21 21 SER C C 13 175.921 0.05 . 1 . . . . 295 S C . 15366 1 72 . 1 1 21 21 SER CA C 13 61.683 0.058 . 1 . . . . 295 S CA . 15366 1 73 . 1 1 21 21 SER N N 15 116.672 0.062 . 1 . . . . 295 S N . 15366 1 74 . 1 1 22 22 GLN H H 1 7.911 0.006 . 1 . . . . 296 Q H . 15366 1 75 . 1 1 22 22 GLN CA C 13 56.561 0.277 . 1 . . . . 296 Q CA . 15366 1 76 . 1 1 22 22 GLN N N 15 117.620 0.104 . 1 . . . . 296 Q N . 15366 1 77 . 1 1 23 23 ASP C C 13 175.997 0.05 . 1 . . . . 297 D C . 15366 1 78 . 1 1 23 23 ASP CA C 13 55.400 0.080 . 1 . . . . 297 D CA . 15366 1 79 . 1 1 24 24 THR H H 1 8.154 0.005 . 1 . . . . 298 T H . 15366 1 80 . 1 1 24 24 THR C C 13 176.618 0.05 . 1 . . . . 298 T C . 15366 1 81 . 1 1 24 24 THR CA C 13 62.954 0.080 . 1 . . . . 298 T CA . 15366 1 82 . 1 1 24 24 THR N N 15 107.009 0.093 . 1 . . . . 298 T N . 15366 1 83 . 1 1 25 25 GLY H H 1 8.434 0.005 . 1 . . . . 299 G H . 15366 1 84 . 1 1 25 25 GLY C C 13 174.021 0.05 . 1 . . . . 299 G C . 15366 1 85 . 1 1 25 25 GLY N N 15 107.892 0.119 . 1 . . . . 299 G N . 15366 1 86 . 1 1 26 26 LYS H H 1 8.154 0.006 . 1 . . . . 300 K H . 15366 1 87 . 1 1 26 26 LYS C C 13 174.206 0.05 . 1 . . . . 300 K C . 15366 1 88 . 1 1 26 26 LYS CA C 13 55.905 0.091 . 1 . . . . 300 K CA . 15366 1 89 . 1 1 26 26 LYS N N 15 121.435 0.067 . 1 . . . . 300 K N . 15366 1 90 . 1 1 27 27 TYR H H 1 7.148 0.005 . 1 . . . . 301 Y H . 15366 1 91 . 1 1 27 27 TYR C C 13 171.917 0.05 . 1 . . . . 301 Y C . 15366 1 92 . 1 1 27 27 TYR CA C 13 55.676 0.069 . 1 . . . . 301 Y CA . 15366 1 93 . 1 1 27 27 TYR N N 15 115.569 0.076 . 1 . . . . 301 Y N . 15366 1 94 . 1 1 28 28 CYS H H 1 8.797 0.006 . 1 . . . . 302 C H . 15366 1 95 . 1 1 28 28 CYS C C 13 173.866 0.05 . 1 . . . . 302 C C . 15366 1 96 . 1 1 28 28 CYS CA C 13 55.508 0.097 . 1 . . . . 302 C CA . 15366 1 97 . 1 1 28 28 CYS N N 15 112.306 0.071 . 1 . . . . 302 C N . 15366 1 98 . 1 1 29 29 PHE H H 1 9.295 0.004 . 1 . . . . 303 F H . 15366 1 99 . 1 1 29 29 PHE C C 13 174.441 0.05 . 1 . . . . 303 F C . 15366 1 100 . 1 1 29 29 PHE CA C 13 57.411 0.061 . 1 . . . . 303 F CA . 15366 1 101 . 1 1 29 29 PHE N N 15 121.483 0.063 . 1 . . . . 303 F N . 15366 1 102 . 1 1 30 30 GLY H H 1 8.353 0.007 . 1 . . . . 304 G H . 15366 1 103 . 1 1 30 30 GLY C C 13 174.305 0.05 . 1 . . . . 304 G C . 15366 1 104 . 1 1 30 30 GLY CA C 13 44.562 0.020 . 1 . . . . 304 G CA . 15366 1 105 . 1 1 30 30 GLY N N 15 105.278 0.069 . 1 . . . . 304 G N . 15366 1 106 . 1 1 31 31 VAL H H 1 8.864 0.004 . 1 . . . . 305 V H . 15366 1 107 . 1 1 31 31 VAL C C 13 175.518 0.05 . 1 . . . . 305 V C . 15366 1 108 . 1 1 31 31 VAL CA C 13 68.247 0.076 . 1 . . . . 305 V CA . 15366 1 109 . 1 1 31 31 VAL N N 15 122.000 0.043 . 1 . . . . 305 V N . 15366 1 110 . 1 1 32 32 GLU H H 1 8.429 0.003 . 1 . . . . 306 E H . 15366 1 111 . 1 1 32 32 GLU C C 13 179.593 0.05 . 1 . . . . 306 E C . 15366 1 112 . 1 1 32 32 GLU CA C 13 61.242 0.049 . 1 . . . . 306 E CA . 15366 1 113 . 1 1 32 32 GLU N N 15 118.227 0.083 . 1 . . . . 306 E N . 15366 1 114 . 1 1 33 33 ASP H H 1 9.174 0.004 . 1 . . . . 307 D H . 15366 1 115 . 1 1 33 33 ASP C C 13 177.686 0.05 . 1 . . . . 307 D C . 15366 1 116 . 1 1 33 33 ASP CA C 13 57.328 0.088 . 1 . . . . 307 D CA . 15366 1 117 . 1 1 33 33 ASP N N 15 119.840 0.042 . 1 . . . . 307 D N . 15366 1 118 . 1 1 34 34 THR H H 1 7.187 0.003 . 1 . . . . 308 T H . 15366 1 119 . 1 1 34 34 THR C C 13 175.915 0.05 . 1 . . . . 308 T C . 15366 1 120 . 1 1 34 34 THR CA C 13 67.246 0.181 . 1 . . . . 308 T CA . 15366 1 121 . 1 1 34 34 THR N N 15 115.077 0.047 . 1 . . . . 308 T N . 15366 1 122 . 1 1 35 35 LEU H H 1 8.196 0.005 . 1 . . . . 309 L H . 15366 1 123 . 1 1 35 35 LEU C C 13 178.983 0.05 . 1 . . . . 309 L C . 15366 1 124 . 1 1 35 35 LEU CA C 13 57.708 0.064 . 1 . . . . 309 L CA . 15366 1 125 . 1 1 35 35 LEU N N 15 122.220 0.030 . 1 . . . . 309 L N . 15366 1 126 . 1 1 36 36 LYS H H 1 7.592 0.005 . 1 . . . . 310 K H . 15366 1 127 . 1 1 36 36 LYS C C 13 178.652 0.05 . 1 . . . . 310 K C . 15366 1 128 . 1 1 36 36 LYS CA C 13 59.713 0.083 . 1 . . . . 310 K CA . 15366 1 129 . 1 1 36 36 LYS N N 15 119.027 0.046 . 1 . . . . 310 K N . 15366 1 130 . 1 1 37 37 ALA H H 1 8.411 0.007 . 1 . . . . 311 A H . 15366 1 131 . 1 1 37 37 ALA C C 13 179.220 0.05 . 1 . . . . 311 A C . 15366 1 132 . 1 1 37 37 ALA CA C 13 55.395 0.036 . 1 . . . . 311 A CA . 15366 1 133 . 1 1 37 37 ALA N N 15 120.898 0.052 . 1 . . . . 311 A N . 15366 1 134 . 1 1 38 38 LEU H H 1 8.653 0.004 . 1 . . . . 312 L H . 15366 1 135 . 1 1 38 38 LEU C C 13 179.896 0.05 . 1 . . . . 312 L C . 15366 1 136 . 1 1 38 38 LEU CA C 13 57.581 0.025 . 1 . . . . 312 L CA . 15366 1 137 . 1 1 38 38 LEU N N 15 120.361 0.071 . 1 . . . . 312 L N . 15366 1 138 . 1 1 39 39 GLU H H 1 8.035 0.006 . 1 . . . . 313 E H . 15366 1 139 . 1 1 39 39 GLU C C 13 178.015 0.05 . 1 . . . . 313 E C . 15366 1 140 . 1 1 39 39 GLU CA C 13 59.622 0.066 . 1 . . . . 313 E CA . 15366 1 141 . 1 1 39 39 GLU CB C 13 29.638 0.008 . 1 . . . . 313 E CB . 15366 1 142 . 1 1 39 39 GLU N N 15 118.772 0.055 . 1 . . . . 313 E N . 15366 1 143 . 1 1 40 40 MET H H 1 7.664 0.005 . 1 . . . . 314 M H . 15366 1 144 . 1 1 40 40 MET C C 13 176.268 0.05 . 1 . . . . 314 M C . 15366 1 145 . 1 1 40 40 MET CA C 13 57.067 0.072 . 1 . . . . 314 M CA . 15366 1 146 . 1 1 40 40 MET N N 15 114.924 0.081 . 1 . . . . 314 M N . 15366 1 147 . 1 1 41 41 GLY H H 1 8.196 0.005 . 1 . . . . 315 G H . 15366 1 148 . 1 1 41 41 GLY C C 13 175.290 0.05 . 1 . . . . 315 G C . 15366 1 149 . 1 1 41 41 GLY CA C 13 46.390 0.047 . 1 . . . . 315 G CA . 15366 1 150 . 1 1 41 41 GLY N N 15 108.073 0.105 . 1 . . . . 315 G N . 15366 1 151 . 1 1 42 42 ALA H H 1 7.992 0.006 . 1 . . . . 316 A H . 15366 1 152 . 1 1 42 42 ALA C C 13 176.413 0.05 . 1 . . . . 316 A C . 15366 1 153 . 1 1 42 42 ALA CA C 13 52.979 0.095 . 1 . . . . 316 A CA . 15366 1 154 . 1 1 42 42 ALA N N 15 119.240 0.069 . 1 . . . . 316 A N . 15366 1 155 . 1 1 43 43 VAL H H 1 8.313 0.005 . 1 . . . . 317 V H . 15366 1 156 . 1 1 43 43 VAL C C 13 174.159 0.05 . 1 . . . . 317 V C . 15366 1 157 . 1 1 43 43 VAL CA C 13 64.232 0.109 . 1 . . . . 317 V CA . 15366 1 158 . 1 1 43 43 VAL N N 15 119.589 0.043 . 1 . . . . 317 V N . 15366 1 159 . 1 1 44 44 GLU H H 1 9.120 0.007 . 1 . . . . 318 E H . 15366 1 160 . 1 1 44 44 GLU C C 13 176.442 0.05 . 1 . . . . 318 E C . 15366 1 161 . 1 1 44 44 GLU CA C 13 58.410 0.113 . 1 . . . . 318 E CA . 15366 1 162 . 1 1 44 44 GLU N N 15 128.844 0.098 . 1 . . . . 318 E N . 15366 1 163 . 1 1 45 45 ILE H H 1 7.538 0.006 . 1 . . . . 319 I H . 15366 1 164 . 1 1 45 45 ILE C C 13 172.876 0.05 . 1 . . . . 319 I C . 15366 1 165 . 1 1 45 45 ILE CA C 13 60.315 0.112 . 1 . . . . 319 I CA . 15366 1 166 . 1 1 45 45 ILE N N 15 116.643 0.095 . 1 . . . . 319 I N . 15366 1 167 . 1 1 46 46 LEU H H 1 8.998 0.004 . 1 . . . . 320 L H . 15366 1 168 . 1 1 46 46 LEU C C 13 172.052 0.05 . 1 . . . . 320 L C . 15366 1 169 . 1 1 46 46 LEU CA C 13 53.944 0.076 . 1 . . . . 320 L CA . 15366 1 170 . 1 1 46 46 LEU N N 15 131.132 0.134 . 1 . . . . 320 L N . 15366 1 171 . 1 1 47 47 ILE H H 1 8.828 0.003 . 1 . . . . 321 I H . 15366 1 172 . 1 1 47 47 ILE C C 13 174.303 0.05 . 1 . . . . 321 I C . 15366 1 173 . 1 1 47 47 ILE CA C 13 60.977 0.046 . 1 . . . . 321 I CA . 15366 1 174 . 1 1 47 47 ILE N N 15 127.620 0.088 . 1 . . . . 321 I N . 15366 1 175 . 1 1 48 48 VAL H H 1 8.394 0.007 . 1 . . . . 322 V H . 15366 1 176 . 1 1 48 48 VAL C C 13 174.500 0.05 . 1 . . . . 322 V C . 15366 1 177 . 1 1 48 48 VAL CA C 13 60.001 0.174 . 1 . . . . 322 V CA . 15366 1 178 . 1 1 48 48 VAL N N 15 122.219 0.046 . 1 . . . . 322 V N . 15366 1 179 . 1 1 49 49 TYR H H 1 9.095 0.005 . 1 . . . . 323 Y H . 15366 1 180 . 1 1 49 49 TYR C C 13 175.980 0.05 . 1 . . . . 323 Y C . 15366 1 181 . 1 1 49 49 TYR CA C 13 55.311 0.094 . 1 . . . . 323 Y CA . 15366 1 182 . 1 1 49 49 TYR N N 15 127.013 0.078 . 1 . . . . 323 Y N . 15366 1 183 . 1 1 50 50 GLU H H 1 9.022 0.006 . 1 . . . . 324 E H . 15366 1 184 . 1 1 50 50 GLU CA C 13 58.611 0.05 . 1 . . . . 324 E CA . 15366 1 185 . 1 1 50 50 GLU N N 15 126.546 0.072 . 1 . . . . 324 E N . 15366 1 186 . 1 1 53 53 ASP C C 13 175.006 0.05 . 1 . . . . 327 D C . 15366 1 187 . 1 1 53 53 ASP CA C 13 53.709 0.103 . 1 . . . . 327 D CA . 15366 1 188 . 1 1 54 54 ILE H H 1 6.613 0.004 . 1 . . . . 328 I H . 15366 1 189 . 1 1 54 54 ILE C C 13 175.197 0.05 . 1 . . . . 328 I C . 15366 1 190 . 1 1 54 54 ILE CA C 13 60.644 0.151 . 1 . . . . 328 I CA . 15366 1 191 . 1 1 54 54 ILE N N 15 116.986 0.050 . 1 . . . . 328 I N . 15366 1 192 . 1 1 55 55 MET H H 1 9.401 0.010 . 1 . . . . 329 M H . 15366 1 193 . 1 1 55 55 MET C C 13 173.249 0.05 . 1 . . . . 329 M C . 15366 1 194 . 1 1 55 55 MET CA C 13 53.448 0.067 . 1 . . . . 329 M CA . 15366 1 195 . 1 1 55 55 MET N N 15 129.245 0.097 . 1 . . . . 329 M N . 15366 1 196 . 1 1 56 56 ARG H H 1 8.952 0.005 . 1 . . . . 330 R H . 15366 1 197 . 1 1 56 56 ARG C C 13 174.275 0.05 . 1 . . . . 330 R C . 15366 1 198 . 1 1 56 56 ARG CA C 13 54.773 0.151 . 1 . . . . 330 R CA . 15366 1 199 . 1 1 56 56 ARG N N 15 124.843 0.081 . 1 . . . . 330 R N . 15366 1 200 . 1 1 57 57 TYR H H 1 9.180 0.007 . 1 . . . . 331 Y H . 15366 1 201 . 1 1 57 57 TYR C C 13 173.756 0.05 . 1 . . . . 331 Y C . 15366 1 202 . 1 1 57 57 TYR CA C 13 57.654 0.045 . 1 . . . . 331 Y CA . 15366 1 203 . 1 1 57 57 TYR N N 15 127.490 0.049 . 1 . . . . 331 Y N . 15366 1 204 . 1 1 58 58 VAL H H 1 8.707 0.005 . 1 . . . . 332 V H . 15366 1 205 . 1 1 58 58 VAL C C 13 174.526 0.05 . 1 . . . . 332 V C . 15366 1 206 . 1 1 58 58 VAL CA C 13 62.044 0.117 . 1 . . . . 332 V CA . 15366 1 207 . 1 1 58 58 VAL N N 15 120.016 0.074 . 1 . . . . 332 V N . 15366 1 208 . 1 1 59 59 LEU H H 1 9.332 0.007 . 9 . . . . 333 L H . 15366 1 209 . 1 1 59 59 LEU C C 13 176.160 0.05 . 9 . . . . 333 L C . 15366 1 210 . 1 1 59 59 LEU CA C 13 53.277 0.067 . 9 . . . . 333 L CA . 15366 1 211 . 1 1 59 59 LEU N N 15 126.621 0.067 . 9 . . . . 333 L N . 15366 1 212 . 1 1 60 60 HIS H H 1 9.233 0.005 . 1 . . . . 334 H H . 15366 1 213 . 1 1 60 60 HIS C C 13 174.385 0.05 . 1 . . . . 334 H C . 15366 1 214 . 1 1 60 60 HIS CA C 13 53.791 0.174 . 1 . . . . 334 H CA . 15366 1 215 . 1 1 60 60 HIS N N 15 118.941 0.066 . 1 . . . . 334 H N . 15366 1 216 . 1 1 61 61 CYS H H 1 8.652 0.004 . 1 . . . . 335 C H . 15366 1 217 . 1 1 61 61 CYS CA C 13 55.387 0.038 . 1 . . . . 335 C CA . 15366 1 218 . 1 1 61 61 CYS N N 15 124.961 0.050 . 1 . . . . 335 C N . 15366 1 219 . 1 1 62 62 GLN C C 13 177.325 0.05 . 1 . . . . 336 Q C . 15366 1 220 . 1 1 62 62 GLN CA C 13 57.940 0.086 . 1 . . . . 336 Q CA . 15366 1 221 . 1 1 63 63 GLY H H 1 9.058 0.008 . 9 . . . . 337 G H . 15366 1 222 . 1 1 63 63 GLY C C 13 174.318 0.05 . 9 . . . . 337 G C . 15366 1 223 . 1 1 63 63 GLY CA C 13 46.452 0.053 . 9 . . . . 337 G CA . 15366 1 224 . 1 1 63 63 GLY N N 15 112.997 0.092 . 9 . . . . 337 G N . 15366 1 225 . 1 1 64 64 THR H H 1 7.810 0.005 . 9 . . . . 338 T H . 15366 1 226 . 1 1 64 64 THR C C 13 174.222 0.05 . 9 . . . . 338 T C . 15366 1 227 . 1 1 64 64 THR CA C 13 61.191 0.037 . 9 . . . . 338 T CA . 15366 1 228 . 1 1 64 64 THR N N 15 111.333 0.070 . 9 . . . . 338 T N . 15366 1 229 . 1 1 65 65 GLU H H 1 8.364 0.006 . 9 . . . . 339 E H . 15366 1 230 . 1 1 65 65 GLU C C 13 175.132 0.05 . 9 . . . . 339 E C . 15366 1 231 . 1 1 65 65 GLU CA C 13 56.840 0.061 . 9 . . . . 339 E CA . 15366 1 232 . 1 1 65 65 GLU N N 15 117.565 0.052 . 9 . . . . 339 E N . 15366 1 233 . 1 1 66 66 GLU H H 1 7.903 0.004 . 9 . . . . 340 E H . 15366 1 234 . 1 1 66 66 GLU CA C 13 56.830 0.063 . 9 . . . . 340 E CA . 15366 1 235 . 1 1 66 66 GLU N N 15 120.127 0.067 . 9 . . . . 340 E N . 15366 1 236 . 1 1 67 67 GLU H H 1 8.373 0.003 . 9 . . . . 341 E H . 15366 1 237 . 1 1 67 67 GLU C C 13 175.253 0.05 . 9 . . . . 341 E C . 15366 1 238 . 1 1 67 67 GLU CA C 13 55.584 0.085 . 9 . . . . 341 E CA . 15366 1 239 . 1 1 67 67 GLU N N 15 122.832 0.077 . 9 . . . . 341 E N . 15366 1 240 . 1 1 68 68 LYS H H 1 8.817 0.005 . 9 . . . . 342 K H . 15366 1 241 . 1 1 68 68 LYS C C 13 173.245 0.05 . 9 . . . . 342 K C . 15366 1 242 . 1 1 68 68 LYS CA C 13 55.035 0.083 . 9 . . . . 342 K CA . 15366 1 243 . 1 1 68 68 LYS N N 15 126.133 0.018 . 9 . . . . 342 K N . 15366 1 244 . 1 1 69 69 ILE H H 1 8.323 0.016 . 1 . . . . 343 I H . 15366 1 245 . 1 1 69 69 ILE C C 13 175.228 0.05 . 1 . . . . 343 I C . 15366 1 246 . 1 1 69 69 ILE CA C 13 59.761 0.075 . 1 . . . . 343 I CA . 15366 1 247 . 1 1 69 69 ILE N N 15 125.104 0.064 . 1 . . . . 343 I N . 15366 1 248 . 1 1 70 70 LEU H H 1 8.950 0.004 . 9 . . . . 344 L H . 15366 1 249 . 1 1 70 70 LEU C C 13 173.996 0.05 . 9 . . . . 344 L C . 15366 1 250 . 1 1 70 70 LEU CA C 13 53.050 0.079 . 9 . . . . 344 L CA . 15366 1 251 . 1 1 70 70 LEU N N 15 126.626 0.070 . 9 . . . . 344 L N . 15366 1 252 . 1 1 71 71 TYR H H 1 8.405 0.004 . 1 . . . . 345 Y H . 15366 1 253 . 1 1 71 71 TYR C C 13 174.921 0.05 . 1 . . . . 345 Y C . 15366 1 254 . 1 1 71 71 TYR CA C 13 56.475 0.093 . 1 . . . . 345 Y CA . 15366 1 255 . 1 1 71 71 TYR N N 15 120.500 0.050 . 1 . . . . 345 Y N . 15366 1 256 . 1 1 72 72 LEU H H 1 8.835 0.006 . 1 . . . . 346 L H . 15366 1 257 . 1 1 72 72 LEU C C 13 176.976 0.05 . 1 . . . . 346 L C . 15366 1 258 . 1 1 72 72 LEU CA C 13 53.393 0.068 . 1 . . . . 346 L CA . 15366 1 259 . 1 1 72 72 LEU N N 15 121.535 0.055 . 1 . . . . 346 L N . 15366 1 260 . 1 1 73 73 THR H H 1 8.907 0.007 . 1 . . . . 347 T H . 15366 1 261 . 1 1 73 73 THR CA C 13 60.671 0.185 . 1 . . . . 347 T CA . 15366 1 262 . 1 1 73 73 THR N N 15 114.842 0.067 . 1 . . . . 347 T N . 15366 1 263 . 1 1 74 74 PRO C C 13 179.261 0.05 . 1 . . . . 348 P C . 15366 1 264 . 1 1 74 74 PRO CA C 13 65.914 0.128 . 1 . . . . 348 P CA . 15366 1 265 . 1 1 75 75 GLU H H 1 8.092 0.004 . 1 . . . . 349 E H . 15366 1 266 . 1 1 75 75 GLU CA C 13 59.560 0.034 . 1 . . . . 349 E CA . 15366 1 267 . 1 1 75 75 GLU N N 15 115.220 0.076 . 1 . . . . 349 E N . 15366 1 268 . 1 1 76 76 GLN H H 1 7.740 0.006 . 1 . . . . 350 Q H . 15366 1 269 . 1 1 76 76 GLN C C 13 178.096 0.05 . 1 . . . . 350 Q C . 15366 1 270 . 1 1 76 76 GLN CA C 13 58.625 0.135 . 1 . . . . 350 Q CA . 15366 1 271 . 1 1 76 76 GLN N N 15 119.478 0.082 . 1 . . . . 350 Q N . 15366 1 272 . 1 1 77 77 GLU H H 1 8.213 0.010 . 1 . . . . 351 E H . 15366 1 273 . 1 1 77 77 GLU C C 13 175.707 0.05 . 1 . . . . 351 E C . 15366 1 274 . 1 1 77 77 GLU CA C 13 59.269 0.038 . 1 . . . . 351 E CA . 15366 1 275 . 1 1 77 77 GLU N N 15 116.674 0.066 . 1 . . . . 351 E N . 15366 1 276 . 1 1 78 78 LYS H H 1 6.997 0.006 . 1 . . . . 352 K H . 15366 1 277 . 1 1 78 78 LYS C C 13 175.852 0.05 . 1 . . . . 352 K C . 15366 1 278 . 1 1 78 78 LYS CA C 13 57.240 0.065 . 1 . . . . 352 K CA . 15366 1 279 . 1 1 78 78 LYS N N 15 114.106 0.063 . 1 . . . . 352 K N . 15366 1 280 . 1 1 79 79 ASP H H 1 7.789 0.005 . 1 . . . . 353 D H . 15366 1 281 . 1 1 79 79 ASP C C 13 175.371 0.05 . 1 . . . . 353 D C . 15366 1 282 . 1 1 79 79 ASP CA C 13 53.214 0.082 . 1 . . . . 353 D CA . 15366 1 283 . 1 1 79 79 ASP N N 15 119.936 0.068 . 1 . . . . 353 D N . 15366 1 284 . 1 1 80 80 LYS H H 1 8.449 0.005 . 1 . . . . 354 K H . 15366 1 285 . 1 1 80 80 LYS C C 13 178.745 0.05 . 1 . . . . 354 K C . 15366 1 286 . 1 1 80 80 LYS CA C 13 57.709 0.040 . 1 . . . . 354 K CA . 15366 1 287 . 1 1 80 80 LYS N N 15 122.309 0.092 . 1 . . . . 354 K N . 15366 1 288 . 1 1 81 81 SER H H 1 8.691 0.008 . 1 . . . . 355 S H . 15366 1 289 . 1 1 81 81 SER C C 13 176.082 0.05 . 1 . . . . 355 S C . 15366 1 290 . 1 1 81 81 SER CA C 13 61.882 0.036 . 1 . . . . 355 S CA . 15366 1 291 . 1 1 81 81 SER N N 15 118.397 0.059 . 1 . . . . 355 S N . 15366 1 292 . 1 1 82 82 HIS H H 1 6.932 0.007 . 1 . . . . 356 H H . 15366 1 293 . 1 1 82 82 HIS C C 13 175.005 0.05 . 1 . . . . 356 H C . 15366 1 294 . 1 1 82 82 HIS CA C 13 58.759 0.090 . 1 . . . . 356 H CA . 15366 1 295 . 1 1 82 82 HIS N N 15 117.489 0.118 . 1 . . . . 356 H N . 15366 1 296 . 1 1 83 83 PHE H H 1 7.386 0.014 . 1 . . . . 357 F H . 15366 1 297 . 1 1 83 83 PHE C C 13 173.938 0.05 . 1 . . . . 357 F C . 15366 1 298 . 1 1 83 83 PHE CA C 13 57.688 0.126 . 1 . . . . 357 F CA . 15366 1 299 . 1 1 83 83 PHE N N 15 112.492 0.194 . 1 . . . . 357 F N . 15366 1 300 . 1 1 84 84 THR H H 1 7.205 0.004 . 9 . . . . 358 T H . 15366 1 301 . 1 1 84 84 THR C C 13 172.179 0.05 . 9 . . . . 358 T C . 15366 1 302 . 1 1 84 84 THR CA C 13 61.036 0.040 . 9 . . . . 358 T CA . 15366 1 303 . 1 1 84 84 THR N N 15 113.136 0.041 . 9 . . . . 358 T N . 15366 1 304 . 1 1 85 85 ASP H H 1 8.368 0.010 . 1 . . . . 359 D H . 15366 1 305 . 1 1 85 85 ASP C C 13 176.741 0.05 . 1 . . . . 359 D C . 15366 1 306 . 1 1 85 85 ASP CA C 13 54.372 0.086 . 1 . . . . 359 D CA . 15366 1 307 . 1 1 85 85 ASP N N 15 124.534 0.049 . 1 . . . . 359 D N . 15366 1 308 . 1 1 86 86 LYS H H 1 8.924 0.007 . 1 . . . . 360 K H . 15366 1 309 . 1 1 86 86 LYS C C 13 177.392 0.05 . 1 . . . . 360 K C . 15366 1 310 . 1 1 86 86 LYS CA C 13 59.209 0.018 . 1 . . . . 360 K CA . 15366 1 311 . 1 1 86 86 LYS N N 15 128.502 0.093 . 1 . . . . 360 K N . 15366 1 312 . 1 1 87 87 GLU H H 1 8.444 0.020 . 1 . . . . 361 E H . 15366 1 313 . 1 1 87 87 GLU C C 13 178.095 0.05 . 1 . . . . 361 E C . 15366 1 314 . 1 1 87 87 GLU CA C 13 58.935 0.074 . 1 . . . . 361 E CA . 15366 1 315 . 1 1 87 87 GLU N N 15 117.241 0.077 . 1 . . . . 361 E N . 15366 1 316 . 1 1 88 88 THR H H 1 8.033 0.016 . 9 . . . . 362 T H . 15366 1 317 . 1 1 88 88 THR C C 13 176.512 0.05 . 9 . . . . 362 T C . 15366 1 318 . 1 1 88 88 THR CA C 13 62.332 0.125 . 9 . . . . 362 T CA . 15366 1 319 . 1 1 88 88 THR N N 15 106.387 0.060 . 9 . . . . 362 T N . 15366 1 320 . 1 1 89 89 GLY H H 1 8.275 0.006 . 1 . . . . 363 G H . 15366 1 321 . 1 1 89 89 GLY C C 13 174.019 0.05 . 1 . . . . 363 G C . 15366 1 322 . 1 1 89 89 GLY CA C 13 46.013 0.070 . 1 . . . . 363 G CA . 15366 1 323 . 1 1 89 89 GLY N N 15 111.262 0.082 . 1 . . . . 363 G N . 15366 1 324 . 1 1 90 90 GLN H H 1 8.165 0.134 . 1 . . . . 364 Q H . 15366 1 325 . 1 1 90 90 GLN C C 13 175.882 0.05 . 1 . . . . 364 Q C . 15366 1 326 . 1 1 90 90 GLN CA C 13 56.140 0.074 . 1 . . . . 364 Q CA . 15366 1 327 . 1 1 90 90 GLN N N 15 119.624 0.249 . 1 . . . . 364 Q N . 15366 1 328 . 1 1 91 91 GLU H H 1 8.494 0.005 . 1 . . . . 365 E H . 15366 1 329 . 1 1 91 91 GLU CA C 13 56.864 0.075 . 1 . . . . 365 E CA . 15366 1 330 . 1 1 91 91 GLU N N 15 121.578 0.068 . 1 . . . . 365 E N . 15366 1 331 . 1 1 96 96 GLU C C 13 173.153 0.05 . 1 . . . . 370 E C . 15366 1 332 . 1 1 96 96 GLU CA C 13 55.770 0.016 . 1 . . . . 370 E CA . 15366 1 333 . 1 1 97 97 SER H H 1 8.344 0.005 . 1 . . . . 371 S H . 15366 1 334 . 1 1 97 97 SER C C 13 172.407 0.05 . 1 . . . . 371 S C . 15366 1 335 . 1 1 97 97 SER CA C 13 56.931 0.084 . 1 . . . . 371 S CA . 15366 1 336 . 1 1 97 97 SER N N 15 115.247 0.090 . 1 . . . . 371 S N . 15366 1 337 . 1 1 98 98 MET H H 1 8.413 0.006 . 1 . . . . 372 M H . 15366 1 338 . 1 1 98 98 MET CA C 13 54.707 0.111 . 1 . . . . 372 M CA . 15366 1 339 . 1 1 98 98 MET N N 15 119.486 0.105 . 1 . . . . 372 M N . 15366 1 340 . 1 1 99 99 PRO C C 13 177.743 0.05 . 1 . . . . 373 P C . 15366 1 341 . 1 1 99 99 PRO CA C 13 64.243 0.109 . 1 . . . . 373 P CA . 15366 1 342 . 1 1 100 100 LEU H H 1 9.248 0.005 . 1 . . . . 374 L H . 15366 1 343 . 1 1 100 100 LEU C C 13 177.152 0.05 . 1 . . . . 374 L C . 15366 1 344 . 1 1 100 100 LEU CA C 13 57.962 0.063 . 1 . . . . 374 L CA . 15366 1 345 . 1 1 100 100 LEU N N 15 128.094 0.060 . 1 . . . . 374 L N . 15366 1 346 . 1 1 101 101 LEU H H 1 9.229 0.009 . 1 . . . . 375 L H . 15366 1 347 . 1 1 101 101 LEU C C 13 177.860 0.05 . 1 . . . . 375 L C . 15366 1 348 . 1 1 101 101 LEU CA C 13 59.669 0.099 . 1 . . . . 375 L CA . 15366 1 349 . 1 1 101 101 LEU N N 15 117.927 0.055 . 1 . . . . 375 L N . 15366 1 350 . 1 1 102 102 GLU H H 1 6.753 0.004 . 1 . . . . 376 E H . 15366 1 351 . 1 1 102 102 GLU CA C 13 59.239 0.100 . 1 . . . . 376 E CA . 15366 1 352 . 1 1 102 102 GLU N N 15 117.869 0.079 . 1 . . . . 376 E N . 15366 1 353 . 1 1 103 103 TRP H H 1 8.182 0.008 . 1 . . . . 377 W H . 15366 1 354 . 1 1 103 103 TRP C C 13 180.847 0.05 . 1 . . . . 377 W C . 15366 1 355 . 1 1 103 103 TRP CA C 13 64.080 0.057 . 1 . . . . 377 W CA . 15366 1 356 . 1 1 103 103 TRP N N 15 121.300 0.082 . 1 . . . . 377 W N . 15366 1 357 . 1 1 104 104 PHE H H 1 9.487 0.004 . 1 . . . . 378 F H . 15366 1 358 . 1 1 104 104 PHE C C 13 178.065 0.05 . 1 . . . . 378 F C . 15366 1 359 . 1 1 104 104 PHE CA C 13 59.869 0.073 . 1 . . . . 378 F CA . 15366 1 360 . 1 1 104 104 PHE N N 15 118.960 0.051 . 1 . . . . 378 F N . 15366 1 361 . 1 1 105 105 ALA H H 1 8.487 0.005 . 1 . . . . 379 A H . 15366 1 362 . 1 1 105 105 ALA C C 13 178.586 0.05 . 1 . . . . 379 A C . 15366 1 363 . 1 1 105 105 ALA CA C 13 56.145 0.082 . 1 . . . . 379 A CA . 15366 1 364 . 1 1 105 105 ALA N N 15 121.732 0.103 . 1 . . . . 379 A N . 15366 1 365 . 1 1 106 106 ASN H H 1 7.705 0.004 . 1 . . . . 380 N H . 15366 1 366 . 1 1 106 106 ASN C C 13 176.172 0.05 . 1 . . . . 380 N C . 15366 1 367 . 1 1 106 106 ASN CA C 13 54.350 0.072 . 1 . . . . 380 N CA . 15366 1 368 . 1 1 106 106 ASN N N 15 112.529 0.066 . 1 . . . . 380 N N . 15366 1 369 . 1 1 107 107 ASN H H 1 7.504 0.004 . 1 . . . . 381 N H . 15366 1 370 . 1 1 107 107 ASN C C 13 175.241 0.05 . 1 . . . . 381 N C . 15366 1 371 . 1 1 107 107 ASN CA C 13 55.073 0.124 . 1 . . . . 381 N CA . 15366 1 372 . 1 1 107 107 ASN N N 15 115.133 0.077 . 1 . . . . 381 N N . 15366 1 373 . 1 1 108 108 TYR H H 1 8.463 0.005 . 1 . . . . 382 Y H . 15366 1 374 . 1 1 108 108 TYR C C 13 175.842 0.05 . 1 . . . . 382 Y C . 15366 1 375 . 1 1 108 108 TYR CA C 13 62.715 0.077 . 1 . . . . 382 Y CA . 15366 1 376 . 1 1 108 108 TYR N N 15 118.059 0.125 . 1 . . . . 382 Y N . 15366 1 377 . 1 1 109 109 LYS H H 1 7.213 0.008 . 1 . . . . 383 K H . 15366 1 378 . 1 1 109 109 LYS C C 13 179.922 0.05 . 1 . . . . 383 K C . 15366 1 379 . 1 1 109 109 LYS CA C 13 59.155 0.054 . 1 . . . . 383 K CA . 15366 1 380 . 1 1 109 109 LYS N N 15 120.250 0.089 . 1 . . . . 383 K N . 15366 1 381 . 1 1 110 110 LYS H H 1 7.516 0.005 . 1 . . . . 384 K H . 15366 1 382 . 1 1 110 110 LYS C C 13 176.813 0.05 . 1 . . . . 384 K C . 15366 1 383 . 1 1 110 110 LYS CA C 13 58.573 0.086 . 1 . . . . 384 K CA . 15366 1 384 . 1 1 110 110 LYS N N 15 119.601 0.036 . 1 . . . . 384 K N . 15366 1 385 . 1 1 111 111 PHE H H 1 7.097 0.005 . 1 . . . . 385 F H . 15366 1 386 . 1 1 111 111 PHE C C 13 176.393 0.05 . 1 . . . . 385 F C . 15366 1 387 . 1 1 111 111 PHE CA C 13 57.135 0.078 . 1 . . . . 385 F CA . 15366 1 388 . 1 1 111 111 PHE N N 15 115.345 0.071 . 1 . . . . 385 F N . 15366 1 389 . 1 1 112 112 GLY H H 1 7.812 0.004 . 1 . . . . 386 G H . 15366 1 390 . 1 1 112 112 GLY C C 13 172.623 0.05 . 1 . . . . 386 G C . 15366 1 391 . 1 1 112 112 GLY CA C 13 46.702 0.026 . 1 . . . . 386 G CA . 15366 1 392 . 1 1 112 112 GLY N N 15 107.189 0.050 . 1 . . . . 386 G N . 15366 1 393 . 1 1 113 113 ALA H H 1 6.901 0.004 . 1 . . . . 387 A H . 15366 1 394 . 1 1 113 113 ALA C C 13 176.438 0.05 . 1 . . . . 387 A C . 15366 1 395 . 1 1 113 113 ALA CA C 13 50.946 0.066 . 1 . . . . 387 A CA . 15366 1 396 . 1 1 113 113 ALA N N 15 119.620 0.062 . 1 . . . . 387 A N . 15366 1 397 . 1 1 114 114 THR H H 1 7.579 0.004 . 1 . . . . 388 T H . 15366 1 398 . 1 1 114 114 THR C C 13 171.809 0.05 . 1 . . . . 388 T C . 15366 1 399 . 1 1 114 114 THR CA C 13 62.596 0.116 . 1 . . . . 388 T CA . 15366 1 400 . 1 1 114 114 THR N N 15 113.578 0.072 . 1 . . . . 388 T N . 15366 1 401 . 1 1 115 115 LEU H H 1 7.363 0.012 . 1 . . . . 389 L H . 15366 1 402 . 1 1 115 115 LEU C C 13 174.129 0.05 . 1 . . . . 389 L C . 15366 1 403 . 1 1 115 115 LEU CA C 13 54.229 0.044 . 1 . . . . 389 L CA . 15366 1 404 . 1 1 115 115 LEU N N 15 127.407 0.070 . 1 . . . . 389 L N . 15366 1 405 . 1 1 116 116 GLU H H 1 9.079 0.006 . 1 . . . . 390 E H . 15366 1 406 . 1 1 116 116 GLU C C 13 173.063 0.05 . 1 . . . . 390 E C . 15366 1 407 . 1 1 116 116 GLU CA C 13 54.724 0.141 . 1 . . . . 390 E CA . 15366 1 408 . 1 1 116 116 GLU N N 15 128.926 0.077 . 1 . . . . 390 E N . 15366 1 409 . 1 1 117 117 ILE H H 1 8.231 0.005 . 1 . . . . 391 I H . 15366 1 410 . 1 1 117 117 ILE C C 13 177.394 0.05 . 1 . . . . 391 I C . 15366 1 411 . 1 1 117 117 ILE CA C 13 59.416 0.034 . 1 . . . . 391 I CA . 15366 1 412 . 1 1 117 117 ILE N N 15 124.243 0.102 . 1 . . . . 391 I N . 15366 1 413 . 1 1 118 118 VAL H H 1 8.600 0.004 . 1 . . . . 392 V H . 15366 1 414 . 1 1 118 118 VAL C C 13 174.227 0.05 . 1 . . . . 392 V C . 15366 1 415 . 1 1 118 118 VAL CA C 13 59.190 0.124 . 1 . . . . 392 V CA . 15366 1 416 . 1 1 118 118 VAL N N 15 119.663 0.058 . 1 . . . . 392 V N . 15366 1 417 . 1 1 119 119 THR H H 1 8.944 0.003 . 1 . . . . 393 T H . 15366 1 418 . 1 1 119 119 THR C C 13 172.743 0.05 . 1 . . . . 393 T C . 15366 1 419 . 1 1 119 119 THR CA C 13 60.847 0.065 . 1 . . . . 393 T CA . 15366 1 420 . 1 1 119 119 THR N N 15 114.502 0.067 . 1 . . . . 393 T N . 15366 1 421 . 1 1 120 120 ASP H H 1 8.621 0.004 . 1 . . . . 394 D H . 15366 1 422 . 1 1 120 120 ASP C C 13 176.805 0.05 . 1 . . . . 394 D C . 15366 1 423 . 1 1 120 120 ASP CA C 13 52.568 0.023 . 1 . . . . 394 D CA . 15366 1 424 . 1 1 120 120 ASP N N 15 114.977 0.097 . 1 . . . . 394 D N . 15366 1 425 . 1 1 121 121 LYS H H 1 8.457 0.007 . 1 . . . . 395 K H . 15366 1 426 . 1 1 121 121 LYS C C 13 177.874 0.05 . 1 . . . . 395 K C . 15366 1 427 . 1 1 121 121 LYS CA C 13 58.132 0.118 . 1 . . . . 395 K CA . 15366 1 428 . 1 1 121 121 LYS N N 15 117.005 0.051 . 1 . . . . 395 K N . 15366 1 429 . 1 1 122 122 SER H H 1 7.532 0.009 . 1 . . . . 396 S H . 15366 1 430 . 1 1 122 122 SER CA C 13 57.368 0.049 . 1 . . . . 396 S CA . 15366 1 431 . 1 1 122 122 SER N N 15 111.565 0.070 . 1 . . . . 396 S N . 15366 1 432 . 1 1 123 123 GLN C C 13 178.421 0.05 . 1 . . . . 397 Q C . 15366 1 433 . 1 1 123 123 GLN CA C 13 59.918 0.154 . 1 . . . . 397 Q CA . 15366 1 434 . 1 1 124 124 GLU H H 1 10.120 0.009 . 1 . . . . 398 E H . 15366 1 435 . 1 1 124 124 GLU C C 13 177.911 0.05 . 1 . . . . 398 E C . 15366 1 436 . 1 1 124 124 GLU CA C 13 61.809 0.136 . 1 . . . . 398 E CA . 15366 1 437 . 1 1 124 124 GLU N N 15 120.774 0.048 . 1 . . . . 398 E N . 15366 1 438 . 1 1 125 125 GLY H H 1 8.726 0.006 . 1 . . . . 399 G H . 15366 1 439 . 1 1 125 125 GLY C C 13 175.528 0.05 . 1 . . . . 399 G C . 15366 1 440 . 1 1 125 125 GLY CA C 13 47.570 0.112 . 1 . . . . 399 G CA . 15366 1 441 . 1 1 125 125 GLY N N 15 109.884 0.057 . 1 . . . . 399 G N . 15366 1 442 . 1 1 126 126 SER H H 1 8.485 0.008 . 1 . . . . 400 S H . 15366 1 443 . 1 1 126 126 SER C C 13 176.855 0.05 . 1 . . . . 400 S C . 15366 1 444 . 1 1 126 126 SER CA C 13 62.637 0.246 . 1 . . . . 400 S CA . 15366 1 445 . 1 1 126 126 SER N N 15 116.093 0.078 . 1 . . . . 400 S N . 15366 1 446 . 1 1 127 127 GLN H H 1 8.230 0.006 . 1 . . . . 401 Q H . 15366 1 447 . 1 1 127 127 GLN C C 13 179.008 0.05 . 1 . . . . 401 Q C . 15366 1 448 . 1 1 127 127 GLN CA C 13 59.140 0.059 . 1 . . . . 401 Q CA . 15366 1 449 . 1 1 127 127 GLN N N 15 120.075 0.065 . 1 . . . . 401 Q N . 15366 1 450 . 1 1 128 128 PHE H H 1 8.944 0.005 . 1 . . . . 402 F H . 15366 1 451 . 1 1 128 128 PHE C C 13 177.223 0.05 . 1 . . . . 402 F C . 15366 1 452 . 1 1 128 128 PHE CA C 13 61.695 0.127 . 1 . . . . 402 F CA . 15366 1 453 . 1 1 128 128 PHE N N 15 122.533 0.048 . 1 . . . . 402 F N . 15366 1 454 . 1 1 129 129 VAL H H 1 8.305 0.006 . 1 . . . . 403 V H . 15366 1 455 . 1 1 129 129 VAL C C 13 177.342 0.05 . 1 . . . . 403 V C . 15366 1 456 . 1 1 129 129 VAL CA C 13 67.705 0.095 . 1 . . . . 403 V CA . 15366 1 457 . 1 1 129 129 VAL N N 15 120.024 0.088 . 1 . . . . 403 V N . 15366 1 458 . 1 1 130 130 LYS H H 1 8.305 0.004 . 1 . . . . 404 K H . 15366 1 459 . 1 1 130 130 LYS C C 13 178.589 0.05 . 1 . . . . 404 K C . 15366 1 460 . 1 1 130 130 LYS CA C 13 59.320 0.043 . 1 . . . . 404 K CA . 15366 1 461 . 1 1 130 130 LYS N N 15 117.471 0.068 . 1 . . . . 404 K N . 15366 1 462 . 1 1 131 131 GLY H H 1 8.584 0.004 . 1 . . . . 405 G H . 15366 1 463 . 1 1 131 131 GLY C C 13 174.236 0.05 . 1 . . . . 405 G C . 15366 1 464 . 1 1 131 131 GLY CA C 13 45.925 0.081 . 1 . . . . 405 G CA . 15366 1 465 . 1 1 131 131 GLY N N 15 104.885 0.078 . 1 . . . . 405 G N . 15366 1 466 . 1 1 132 132 PHE H H 1 6.967 0.006 . 1 . . . . 406 F H . 15366 1 467 . 1 1 132 132 PHE C C 13 174.771 0.05 . 1 . . . . 406 F C . 15366 1 468 . 1 1 132 132 PHE CA C 13 58.389 0.136 . 1 . . . . 406 F CA . 15366 1 469 . 1 1 132 132 PHE N N 15 116.027 0.098 . 1 . . . . 406 F N . 15366 1 470 . 1 1 133 133 GLY H H 1 7.219 0.003 . 1 . . . . 407 G H . 15366 1 471 . 1 1 133 133 GLY C C 13 175.189 0.05 . 1 . . . . 407 G C . 15366 1 472 . 1 1 133 133 GLY CA C 13 46.234 0.011 . 1 . . . . 407 G CA . 15366 1 473 . 1 1 133 133 GLY N N 15 105.107 0.063 . 1 . . . . 407 G N . 15366 1 474 . 1 1 134 134 GLY H H 1 7.123 0.004 . 1 . . . . 408 G H . 15366 1 475 . 1 1 134 134 GLY C C 13 170.332 0.05 . 1 . . . . 408 G C . 15366 1 476 . 1 1 134 134 GLY CA C 13 46.601 0.078 . 1 . . . . 408 G CA . 15366 1 477 . 1 1 134 134 GLY N N 15 103.265 0.101 . 1 . . . . 408 G N . 15366 1 478 . 1 1 135 135 ILE H H 1 6.859 0.004 . 1 . . . . 409 I H . 15366 1 479 . 1 1 135 135 ILE C C 13 172.300 0.05 . 1 . . . . 409 I C . 15366 1 480 . 1 1 135 135 ILE CA C 13 59.463 0.090 . 1 . . . . 409 I CA . 15366 1 481 . 1 1 135 135 ILE N N 15 115.376 0.079 . 1 . . . . 409 I N . 15366 1 482 . 1 1 136 136 GLY H H 1 8.948 0.006 . 1 . . . . 410 G H . 15366 1 483 . 1 1 136 136 GLY C C 13 169.980 0.05 . 1 . . . . 410 G C . 15366 1 484 . 1 1 136 136 GLY CA C 13 46.595 0.053 . 1 . . . . 410 G CA . 15366 1 485 . 1 1 136 136 GLY N N 15 113.425 0.073 . 1 . . . . 410 G N . 15366 1 486 . 1 1 137 137 GLY H H 1 8.294 0.006 . 1 . . . . 411 G H . 15366 1 487 . 1 1 137 137 GLY C C 13 171.805 0.05 . 1 . . . . 411 G C . 15366 1 488 . 1 1 137 137 GLY CA C 13 45.499 0.092 . 1 . . . . 411 G CA . 15366 1 489 . 1 1 137 137 GLY N N 15 106.307 0.105 . 1 . . . . 411 G N . 15366 1 490 . 1 1 138 138 ILE H H 1 8.821 0.008 . 1 . . . . 412 I H . 15366 1 491 . 1 1 138 138 ILE C C 13 176.057 0.05 . 1 . . . . 412 I C . 15366 1 492 . 1 1 138 138 ILE CA C 13 61.622 0.052 . 1 . . . . 412 I CA . 15366 1 493 . 1 1 138 138 ILE N N 15 120.713 0.076 . 1 . . . . 412 I N . 15366 1 494 . 1 1 139 139 LEU H H 1 8.306 0.005 . 1 . . . . 413 L H . 15366 1 495 . 1 1 139 139 LEU C C 13 176.175 0.05 . 1 . . . . 413 L C . 15366 1 496 . 1 1 139 139 LEU CA C 13 53.555 0.071 . 1 . . . . 413 L CA . 15366 1 497 . 1 1 139 139 LEU N N 15 126.364 0.076 . 1 . . . . 413 L N . 15366 1 498 . 1 1 140 140 ARG H H 1 8.811 0.005 . 1 . . . . 414 R H . 15366 1 499 . 1 1 140 140 ARG C C 13 175.155 0.05 . 1 . . . . 414 R C . 15366 1 500 . 1 1 140 140 ARG CA C 13 57.471 0.106 . 1 . . . . 414 R CA . 15366 1 501 . 1 1 140 140 ARG N N 15 116.650 0.090 . 1 . . . . 414 R N . 15366 1 502 . 1 1 141 141 TYR H H 1 7.022 0.004 . 1 . . . . 415 Y H . 15366 1 503 . 1 1 141 141 TYR C C 13 171.993 0.05 . 1 . . . . 415 Y C . 15366 1 504 . 1 1 141 141 TYR CA C 13 54.814 0.114 . 1 . . . . 415 Y CA . 15366 1 505 . 1 1 141 141 TYR N N 15 111.894 0.101 . 1 . . . . 415 Y N . 15366 1 506 . 1 1 142 142 ARG H H 1 8.458 0.004 . 1 . . . . 416 R H . 15366 1 507 . 1 1 142 142 ARG C C 13 175.598 0.05 . 1 . . . . 416 R C . 15366 1 508 . 1 1 142 142 ARG CA C 13 57.446 0.030 . 1 . . . . 416 R CA . 15366 1 509 . 1 1 142 142 ARG N N 15 117.614 0.099 . 1 . . . . 416 R N . 15366 1 510 . 1 1 143 143 VAL H H 1 7.692 0.005 . 1 . . . . 417 V H . 15366 1 511 . 1 1 143 143 VAL C C 13 173.449 0.05 . 1 . . . . 417 V C . 15366 1 512 . 1 1 143 143 VAL CA C 13 61.836 0.078 . 1 . . . . 417 V CA . 15366 1 513 . 1 1 143 143 VAL N N 15 124.334 0.065 . 1 . . . . 417 V N . 15366 1 514 . 1 1 144 144 ASP H H 1 8.237 0.004 . 1 . . . . 418 D H . 15366 1 515 . 1 1 144 144 ASP CA C 13 53.179 0.079 . 1 . . . . 418 D CA . 15366 1 516 . 1 1 144 144 ASP N N 15 124.148 0.052 . 1 . . . . 418 D N . 15366 1 517 . 1 1 145 145 PHE H H 1 8.363 0.004 . 1 . . . . 419 F H . 15366 1 518 . 1 1 145 145 PHE C C 13 176.215 0.05 . 1 . . . . 419 F C . 15366 1 519 . 1 1 145 145 PHE CA C 13 59.787 0.091 . 1 . . . . 419 F CA . 15366 1 520 . 1 1 145 145 PHE N N 15 122.943 0.033 . 1 . . . . 419 F N . 15366 1 521 . 1 1 146 146 GLN H H 1 8.484 0.005 . 1 . . . . 420 Q H . 15366 1 522 . 1 1 146 146 GLN C C 13 176.384 0.05 . 1 . . . . 420 Q C . 15366 1 523 . 1 1 146 146 GLN CA C 13 57.016 0.070 . 1 . . . . 420 Q CA . 15366 1 524 . 1 1 146 146 GLN N N 15 119.500 0.057 . 1 . . . . 420 Q N . 15366 1 525 . 1 1 147 147 GLY H H 1 8.303 0.006 . 1 . . . . 421 G H . 15366 1 526 . 1 1 147 147 GLY C C 13 173.319 0.05 . 1 . . . . 421 G C . 15366 1 527 . 1 1 147 147 GLY CA C 13 46.036 0.041 . 1 . . . . 421 G CA . 15366 1 528 . 1 1 147 147 GLY N N 15 109.408 0.067 . 1 . . . . 421 G N . 15366 1 529 . 1 1 148 148 MET H H 1 7.675 0.009 . 1 . . . . 422 M H . 15366 1 530 . 1 1 148 148 MET C C 13 174.954 0.05 . 1 . . . . 422 M C . 15366 1 531 . 1 1 148 148 MET CA C 13 55.461 0.072 . 1 . . . . 422 M CA . 15366 1 532 . 1 1 148 148 MET N N 15 118.659 0.075 . 1 . . . . 422 M N . 15366 1 533 . 1 1 149 149 GLU H H 1 8.720 0.004 . 1 . . . . 423 E H . 15366 1 534 . 1 1 149 149 GLU C C 13 175.690 0.05 . 1 . . . . 423 E C . 15366 1 535 . 1 1 149 149 GLU CA C 13 57.001 0.096 . 1 . . . . 423 E CA . 15366 1 536 . 1 1 149 149 GLU N N 15 122.351 0.080 . 1 . . . . 423 E N . 15366 1 537 . 1 1 150 150 TYR H H 1 8.247 0.004 . 1 . . . . 424 Y H . 15366 1 538 . 1 1 150 150 TYR C C 13 175.314 0.05 . 1 . . . . 424 Y C . 15366 1 539 . 1 1 150 150 TYR CA C 13 58.481 0.105 . 1 . . . . 424 Y CA . 15366 1 540 . 1 1 150 150 TYR N N 15 121.720 0.106 . 1 . . . . 424 Y N . 15366 1 541 . 1 1 151 151 GLN H H 1 8.270 0.004 . 1 . . . . 425 Q H . 15366 1 542 . 1 1 151 151 GLN C C 13 175.447 0.05 . 1 . . . . 425 Q C . 15366 1 543 . 1 1 151 151 GLN CA C 13 55.748 0.028 . 1 . . . . 425 Q CA . 15366 1 544 . 1 1 151 151 GLN N N 15 123.575 0.058 . 1 . . . . 425 Q N . 15366 1 545 . 1 1 152 152 GLY H H 1 7.638 0.008 . 1 . . . . 426 G H . 15366 1 546 . 1 1 152 152 GLY C C 13 173.887 0.05 . 1 . . . . 426 G C . 15366 1 547 . 1 1 152 152 GLY CA C 13 45.646 0.064 . 1 . . . . 426 G CA . 15366 1 548 . 1 1 152 152 GLY N N 15 109.054 0.083 . 1 . . . . 426 G N . 15366 1 549 . 1 1 153 153 GLY H H 1 8.271 0.005 . 1 . . . . 427 G H . 15366 1 550 . 1 1 153 153 GLY C C 13 173.688 0.05 . 1 . . . . 427 G C . 15366 1 551 . 1 1 153 153 GLY CA C 13 45.593 0.075 . 1 . . . . 427 G CA . 15366 1 552 . 1 1 153 153 GLY N N 15 108.583 0.068 . 1 . . . . 427 G N . 15366 1 553 . 1 1 154 154 ASP H H 1 8.352 0.004 . 1 . . . . 428 D H . 15366 1 554 . 1 1 154 154 ASP C C 13 175.691 0.05 . 1 . . . . 428 D C . 15366 1 555 . 1 1 154 154 ASP CA C 13 54.874 0.085 . 1 . . . . 428 D CA . 15366 1 556 . 1 1 154 154 ASP N N 15 120.334 0.054 . 1 . . . . 428 D N . 15366 1 557 . 1 1 155 155 ASP H H 1 8.303 0.005 . 1 . . . . 429 D H . 15366 1 558 . 1 1 155 155 ASP C C 13 175.771 0.05 . 1 . . . . 429 D C . 15366 1 559 . 1 1 155 155 ASP CA C 13 54.859 0.076 . 1 . . . . 429 D CA . 15366 1 560 . 1 1 155 155 ASP N N 15 119.937 0.094 . 1 . . . . 429 D N . 15366 1 561 . 1 1 156 156 GLU H H 1 8.201 0.005 . 1 . . . . 430 E H . 15366 1 562 . 1 1 156 156 GLU C C 13 175.488 0.05 . 1 . . . . 430 E C . 15366 1 563 . 1 1 156 156 GLU CA C 13 57.073 0.061 . 1 . . . . 430 E CA . 15366 1 564 . 1 1 156 156 GLU N N 15 120.612 0.056 . 1 . . . . 430 E N . 15366 1 565 . 1 1 157 157 PHE H H 1 8.126 0.004 . 1 . . . . 431 F H . 15366 1 566 . 1 1 157 157 PHE C C 13 174.688 0.05 . 1 . . . . 431 F C . 15366 1 567 . 1 1 157 157 PHE CA C 13 57.712 0.034 . 1 . . . . 431 F CA . 15366 1 568 . 1 1 157 157 PHE N N 15 120.344 0.086 . 1 . . . . 431 F N . 15366 1 569 . 1 1 158 158 PHE H H 1 8.028 0.006 . 1 . . . . 432 F H . 15366 1 570 . 1 1 158 158 PHE C C 13 174.199 0.05 . 1 . . . . 432 F C . 15366 1 571 . 1 1 158 158 PHE CA C 13 58.017 0.091 . 1 . . . . 432 F CA . 15366 1 572 . 1 1 158 158 PHE N N 15 122.279 0.095 . 1 . . . . 432 F N . 15366 1 573 . 1 1 159 159 ASP H H 1 8.196 0.007 . 1 . . . . 433 D H . 15366 1 574 . 1 1 159 159 ASP C C 13 175.452 0.05 . 1 . . . . 433 D C . 15366 1 575 . 1 1 159 159 ASP CA C 13 53.889 0.044 . 1 . . . . 433 D CA . 15366 1 576 . 1 1 159 159 ASP N N 15 122.715 0.062 . 1 . . . . 433 D N . 15366 1 577 . 1 1 160 160 LEU H H 1 8.156 0.006 . 1 . . . . 434 L H . 15366 1 578 . 1 1 160 160 LEU C C 13 177.136 0.05 . 1 . . . . 434 L C . 15366 1 579 . 1 1 160 160 LEU CA C 13 56.571 0.102 . 1 . . . . 434 L CA . 15366 1 580 . 1 1 160 160 LEU N N 15 123.808 0.093 . 1 . . . . 434 L N . 15366 1 581 . 1 1 161 161 ASP H H 1 8.248 0.005 . 1 . . . . 435 D H . 15366 1 582 . 1 1 161 161 ASP C C 13 176.689 0.05 . 1 . . . . 435 D C . 15366 1 583 . 1 1 161 161 ASP CA C 13 56.200 0.045 . 1 . . . . 435 D CA . 15366 1 584 . 1 1 161 161 ASP N N 15 119.686 0.040 . 1 . . . . 435 D N . 15366 1 585 . 1 1 162 162 ASP H H 1 8.089 0.003 . 1 . . . . 436 D H . 15366 1 586 . 1 1 162 162 ASP C C 13 176.568 0.05 . 1 . . . . 436 D C . 15366 1 587 . 1 1 162 162 ASP CA C 13 55.741 0.045 . 1 . . . . 436 D CA . 15366 1 588 . 1 1 162 162 ASP N N 15 120.028 0.059 . 1 . . . . 436 D N . 15366 1 589 . 1 1 163 163 TYR H H 1 8.042 0.003 . 1 . . . . 437 Y H . 15366 1 590 . 1 1 163 163 TYR CA C 13 60.080 0.134 . 1 . . . . 437 Y CA . 15366 1 591 . 1 1 163 163 TYR N N 15 120.180 0.063 . 1 . . . . 437 Y N . 15366 1 592 . 1 1 164 164 LEU H H 1 8.205 0.009 . 1 . . . . 438 L H . 15366 1 593 . 1 1 164 164 LEU C C 13 177.579 0.05 . 1 . . . . 438 L C . 15366 1 594 . 1 1 164 164 LEU CA C 13 56.528 0.181 . 1 . . . . 438 L CA . 15366 1 595 . 1 1 164 164 LEU N N 15 121.117 0.082 . 1 . . . . 438 L N . 15366 1 596 . 1 1 165 165 GLU H H 1 8.026 0.005 . 1 . . . . 439 E H . 15366 1 597 . 1 1 165 165 GLU C C 13 176.496 0.05 . 1 . . . . 439 E C . 15366 1 598 . 1 1 165 165 GLU CA C 13 57.663 0.055 . 1 . . . . 439 E CA . 15366 1 599 . 1 1 165 165 GLU N N 15 119.127 0.056 . 1 . . . . 439 E N . 15366 1 600 . 1 1 166 166 HIS H H 1 7.927 0.007 . 1 . . . . 440 H H . 15366 1 601 . 1 1 166 166 HIS CA C 13 56.776 0.018 . 1 . . . . 440 H CA . 15366 1 602 . 1 1 166 166 HIS N N 15 116.969 0.089 . 1 . . . . 440 H N . 15366 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15366 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15366 2 3 '3D HNCA' . . . 15366 2 9 '3D HNCO' . . . 15366 2 11 '3D 1H-15N NOESY' . . . 15366 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 59 59 LEU H H 1 9.262 0.001 . 9 . . . . 333 L H . 15366 2 2 . 1 1 59 59 LEU CA C 13 53.322 0.007 . 9 . . . . 333 L CA . 15366 2 3 . 1 1 59 59 LEU N N 15 126.597 0.025 . 9 . . . . 333 L N . 15366 2 4 . 1 1 63 63 GLY H H 1 9.000 0.002 . 9 . . . . 337 G H . 15366 2 5 . 1 1 63 63 GLY CA C 13 46.366 0.024 . 9 . . . . 337 G CA . 15366 2 6 . 1 1 63 63 GLY N N 15 111.711 0.018 . 9 . . . . 337 G N . 15366 2 7 . 1 1 64 64 THR H H 1 7.707 0.003 . 9 . . . . 338 T H . 15366 2 8 . 1 1 64 64 THR CA C 13 61.372 0.012 . 9 . . . . 338 T CA . 15366 2 9 . 1 1 64 64 THR N N 15 111.530 0.012 . 9 . . . . 338 T N . 15366 2 10 . 1 1 65 65 GLU H H 1 8.283 0.016 . 9 . . . . 339 E H . 15366 2 11 . 1 1 65 65 GLU C C 13 175.327 0.05 . 9 . . . . 339 E C . 15366 2 12 . 1 1 65 65 GLU CA C 13 57.271 0.014 . 9 . . . . 339 E CA . 15366 2 13 . 1 1 65 65 GLU N N 15 119.147 0.099 . 9 . . . . 339 E N . 15366 2 14 . 1 1 66 66 GLU H H 1 7.781 0.004 . 9 . . . . 340 E H . 15366 2 15 . 1 1 66 66 GLU C C 13 175.370 0.05 . 9 . . . . 340 E C . 15366 2 16 . 1 1 66 66 GLU CA C 13 56.781 0.007 . 9 . . . . 340 E CA . 15366 2 17 . 1 1 66 66 GLU N N 15 119.336 0.080 . 9 . . . . 340 E N . 15366 2 18 . 1 1 67 67 GLU H H 1 8.582 0.006 . 9 . . . . 341 E H . 15366 2 19 . 1 1 67 67 GLU C C 13 175.251 0.05 . 9 . . . . 341 E C . 15366 2 20 . 1 1 67 67 GLU CA C 13 56.398 0.014 . 9 . . . . 341 E CA . 15366 2 21 . 1 1 67 67 GLU N N 15 124.000 0.05 . 9 . . . . 341 E N . 15366 2 22 . 1 1 68 68 LYS H H 1 8.772 0.003 . 9 . . . . 342 K H . 15366 2 23 . 1 1 68 68 LYS CA C 13 54.880 0.033 . 9 . . . . 342 K CA . 15366 2 24 . 1 1 68 68 LYS N N 15 125.517 0.062 . 9 . . . . 342 K N . 15366 2 25 . 1 1 70 70 LEU H H 1 8.866 0.02 . 9 . . . . 344 L H . 15366 2 26 . 1 1 70 70 LEU CA C 13 53.054 0.086 . 9 . . . . 344 L CA . 15366 2 27 . 1 1 70 70 LEU N N 15 126.485 0.036 . 9 . . . . 344 L N . 15366 2 28 . 1 1 84 84 THR H H 1 7.303 0.002 . 9 . . . . 358 T H . 15366 2 29 . 1 1 84 84 THR CA C 13 61.100 0.022 . 9 . . . . 358 T CA . 15366 2 30 . 1 1 84 84 THR N N 15 113.329 0.037 . 9 . . . . 358 T N . 15366 2 31 . 1 1 88 88 THR H H 1 8.057 0.002 . 9 . . . . 362 T H . 15366 2 32 . 1 1 88 88 THR CA C 13 62.404 0.087 . 9 . . . . 362 T CA . 15366 2 33 . 1 1 88 88 THR N N 15 106.361 0.034 . 9 . . . . 362 T N . 15366 2 stop_ save_