data_50626 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50626 _Entry.Title ; Backbone chemical shift assignments for the D3 translational isoform of the human glucocorticoid receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-12-09 _Entry.Accession_date 2020-12-09 _Entry.Last_release_date 2020-12-09 _Entry.Original_release_date 2020-12-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; This construct contains residues 336-525 of the human glucocorticoid receptor, consisting of the disordered NTD for the D3 translational isoform (336-419), the structured DNA-binding domain (420-501), and the disordered hinge (502-525). ; _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 Emily Grasso . M. . 0000-0003-0014-4365 50626 2 Ananya Majumdar . . . . 50626 3 James Wrabl . O. . . 50626 4 Dominique Frueh . P. . . 50626 5 Vincent Hilser . J. . . 50626 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hilser group' . 50626 2 . 'Frueh group' . 50626 3 . 'Biomolecular NMR Center' . 50626 4 . 'Johns Hopkins University' . 50626 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50626 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 495 50626 '15N chemical shifts' 166 50626 '1H chemical shifts' 164 50626 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 . . 2021-06-18 2020-12-09 update BMRB 'update entry citation' 50626 1 . . 2021-05-07 2020-12-09 original author 'original release' 50626 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50603 'assignments for the isolated DBD of GR (420-501)' 50626 BMRB 50627 'assignments for the D2 translational isoform of GR (331-525)' 50626 BMRB 50628 'assignments for the D1 translational isoform of GR (316-525)' 50626 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50626 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33901472 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Conserved allosteric ensembles in a disordered protein using TROSY/Anti-TROSY R 2-filtered spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 120 _Citation.Journal_issue 12 _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 2498 _Citation.Page_last 2510 _Citation.Year 2021 _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 Emily Grasso . M. . . 50626 1 2 Ananya Majumdar . . . . 50626 1 3 James Wrabl . O. . . 50626 1 4 Dominique Frueh . P. . . 50626 1 5 Vincent Hilser . J. . . 50626 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50626 _Assembly.ID 1 _Assembly.Name 'D3DBD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein 1 $entity_1 . . yes native no no . 'polypeptide chain' . 50626 1 2 'zinc 1' 2 $entity_ZN . . no native no no . structural 'first zinc finger spans residues 421-441' 50626 1 3 'zinc 2' 2 $entity_ZN . . no native no no . structural 'second zinc finger spans residues 457-476' 50626 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 89 89 SG . 2 . 2 ZN 1 1 ZN . . . 421 C SG . . . Zn1 . Zn 50626 1 2 coordination single . 1 . 1 CYS 92 92 SG . 2 . 2 ZN 1 1 ZN . . . 424 C SG . . . Zn1 . Zn 50626 1 3 coordination single . 1 . 1 CYS 106 106 SG . 2 . 2 ZN 1 1 ZN . . . 438 C SG . . . Zn1 . Zn 50626 1 4 coordination single . 1 . 1 CYS 109 109 SG . 2 . 2 ZN 1 1 ZN . . . 441 C SG . . . Zn1 . Zn 50626 1 5 coordination single . 1 . 1 CYS 125 125 SG . 3 . 2 ZN 1 1 ZN . . . 457 C SG . . . Zn2 . Zn 50626 1 6 coordination single . 1 . 1 CYS 131 131 SG . 3 . 2 ZN 1 1 ZN . . . 463 C SG . . . Zn2 . Zn 50626 1 7 coordination single . 1 . 1 CYS 141 141 SG . 3 . 2 ZN 1 1 ZN . . . 473 C SG . . . Zn2 . Zn 50626 1 8 coordination single . 1 . 1 CYS 144 144 SG . 3 . 2 ZN 1 1 ZN . . . 476 C SG . . . Zn2 . Zn 50626 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding' 50626 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50626 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMNTASLSQQQDQKPIFN VIPPIPVGSENWNRCQGSGD DNLTSLGTLNFPGRTVFSNG YSSPSMRPDVSSPPSSSSTA TTGPPPKLCLVCSDEASGCH YGVLTCGSCKVFFKRAVEGQ HNYLCAGRNDCIIDKIRRKN CPACRYRKCLQAGMNLEARK TKKKIKGIQQATTGVSQETS ENPGNKTIVPATL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The initial 3 amino acids remain after cleavage of N-terminal his tag; residue 336 is the initial M in the sequence. ; _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 193 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding, transcription factor, stress response, zinc binding' 50626 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 1 333 GLY . 50626 1 2 334 SER . 50626 1 3 335 HIS . 50626 1 4 336 MET . 50626 1 5 337 ASN . 50626 1 6 338 THR . 50626 1 7 339 ALA . 50626 1 8 340 SER . 50626 1 9 341 LEU . 50626 1 10 342 SER . 50626 1 11 343 GLN . 50626 1 12 344 GLN . 50626 1 13 345 GLN . 50626 1 14 346 ASP . 50626 1 15 347 GLN . 50626 1 16 348 LYS . 50626 1 17 349 PRO . 50626 1 18 350 ILE . 50626 1 19 351 PHE . 50626 1 20 352 ASN . 50626 1 21 353 VAL . 50626 1 22 354 ILE . 50626 1 23 355 PRO . 50626 1 24 356 PRO . 50626 1 25 357 ILE . 50626 1 26 358 PRO . 50626 1 27 359 VAL . 50626 1 28 360 GLY . 50626 1 29 361 SER . 50626 1 30 362 GLU . 50626 1 31 363 ASN . 50626 1 32 364 TRP . 50626 1 33 365 ASN . 50626 1 34 366 ARG . 50626 1 35 367 CYS . 50626 1 36 368 GLN . 50626 1 37 369 GLY . 50626 1 38 370 SER . 50626 1 39 371 GLY . 50626 1 40 372 ASP . 50626 1 41 373 ASP . 50626 1 42 374 ASN . 50626 1 43 375 LEU . 50626 1 44 376 THR . 50626 1 45 377 SER . 50626 1 46 378 LEU . 50626 1 47 379 GLY . 50626 1 48 380 THR . 50626 1 49 381 LEU . 50626 1 50 382 ASN . 50626 1 51 383 PHE . 50626 1 52 384 PRO . 50626 1 53 385 GLY . 50626 1 54 386 ARG . 50626 1 55 387 THR . 50626 1 56 388 VAL . 50626 1 57 389 PHE . 50626 1 58 390 SER . 50626 1 59 391 ASN . 50626 1 60 392 GLY . 50626 1 61 393 TYR . 50626 1 62 394 SER . 50626 1 63 395 SER . 50626 1 64 396 PRO . 50626 1 65 397 SER . 50626 1 66 398 MET . 50626 1 67 399 ARG . 50626 1 68 400 PRO . 50626 1 69 401 ASP . 50626 1 70 402 VAL . 50626 1 71 403 SER . 50626 1 72 404 SER . 50626 1 73 405 PRO . 50626 1 74 406 PRO . 50626 1 75 407 SER . 50626 1 76 408 SER . 50626 1 77 409 SER . 50626 1 78 410 SER . 50626 1 79 411 THR . 50626 1 80 412 ALA . 50626 1 81 413 THR . 50626 1 82 414 THR . 50626 1 83 415 GLY . 50626 1 84 416 PRO . 50626 1 85 417 PRO . 50626 1 86 418 PRO . 50626 1 87 419 LYS . 50626 1 88 420 LEU . 50626 1 89 421 CYS . 50626 1 90 422 LEU . 50626 1 91 423 VAL . 50626 1 92 424 CYS . 50626 1 93 425 SER . 50626 1 94 426 ASP . 50626 1 95 427 GLU . 50626 1 96 428 ALA . 50626 1 97 429 SER . 50626 1 98 430 GLY . 50626 1 99 431 CYS . 50626 1 100 432 HIS . 50626 1 101 433 TYR . 50626 1 102 434 GLY . 50626 1 103 435 VAL . 50626 1 104 436 LEU . 50626 1 105 437 THR . 50626 1 106 438 CYS . 50626 1 107 439 GLY . 50626 1 108 440 SER . 50626 1 109 441 CYS . 50626 1 110 442 LYS . 50626 1 111 443 VAL . 50626 1 112 444 PHE . 50626 1 113 445 PHE . 50626 1 114 446 LYS . 50626 1 115 447 ARG . 50626 1 116 448 ALA . 50626 1 117 449 VAL . 50626 1 118 450 GLU . 50626 1 119 451 GLY . 50626 1 120 452 GLN . 50626 1 121 453 HIS . 50626 1 122 454 ASN . 50626 1 123 455 TYR . 50626 1 124 456 LEU . 50626 1 125 457 CYS . 50626 1 126 458 ALA . 50626 1 127 459 GLY . 50626 1 128 460 ARG . 50626 1 129 461 ASN . 50626 1 130 462 ASP . 50626 1 131 463 CYS . 50626 1 132 464 ILE . 50626 1 133 465 ILE . 50626 1 134 466 ASP . 50626 1 135 467 LYS . 50626 1 136 468 ILE . 50626 1 137 469 ARG . 50626 1 138 470 ARG . 50626 1 139 471 LYS . 50626 1 140 472 ASN . 50626 1 141 473 CYS . 50626 1 142 474 PRO . 50626 1 143 475 ALA . 50626 1 144 476 CYS . 50626 1 145 477 ARG . 50626 1 146 478 TYR . 50626 1 147 479 ARG . 50626 1 148 480 LYS . 50626 1 149 481 CYS . 50626 1 150 482 LEU . 50626 1 151 483 GLN . 50626 1 152 484 ALA . 50626 1 153 485 GLY . 50626 1 154 486 MET . 50626 1 155 487 ASN . 50626 1 156 488 LEU . 50626 1 157 489 GLU . 50626 1 158 490 ALA . 50626 1 159 491 ARG . 50626 1 160 492 LYS . 50626 1 161 493 THR . 50626 1 162 494 LYS . 50626 1 163 495 LYS . 50626 1 164 496 LYS . 50626 1 165 497 ILE . 50626 1 166 498 LYS . 50626 1 167 499 GLY . 50626 1 168 500 ILE . 50626 1 169 501 GLN . 50626 1 170 502 GLN . 50626 1 171 503 ALA . 50626 1 172 504 THR . 50626 1 173 505 THR . 50626 1 174 506 GLY . 50626 1 175 507 VAL . 50626 1 176 508 SER . 50626 1 177 509 GLN . 50626 1 178 510 GLU . 50626 1 179 511 THR . 50626 1 180 512 SER . 50626 1 181 513 GLU . 50626 1 182 514 ASN . 50626 1 183 515 PRO . 50626 1 184 516 GLY . 50626 1 185 517 ASN . 50626 1 186 518 LYS . 50626 1 187 519 THR . 50626 1 188 520 ILE . 50626 1 189 521 VAL . 50626 1 190 522 PRO . 50626 1 191 523 ALA . 50626 1 192 524 THR . 50626 1 193 525 LEU . 50626 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 . GLY 1 1 50626 1 . SER 2 2 50626 1 . HIS 3 3 50626 1 . MET 4 4 50626 1 . ASN 5 5 50626 1 . THR 6 6 50626 1 . ALA 7 7 50626 1 . SER 8 8 50626 1 . LEU 9 9 50626 1 . SER 10 10 50626 1 . GLN 11 11 50626 1 . GLN 12 12 50626 1 . GLN 13 13 50626 1 . ASP 14 14 50626 1 . GLN 15 15 50626 1 . LYS 16 16 50626 1 . PRO 17 17 50626 1 . ILE 18 18 50626 1 . PHE 19 19 50626 1 . ASN 20 20 50626 1 . VAL 21 21 50626 1 . ILE 22 22 50626 1 . PRO 23 23 50626 1 . PRO 24 24 50626 1 . ILE 25 25 50626 1 . PRO 26 26 50626 1 . VAL 27 27 50626 1 . GLY 28 28 50626 1 . SER 29 29 50626 1 . GLU 30 30 50626 1 . ASN 31 31 50626 1 . TRP 32 32 50626 1 . ASN 33 33 50626 1 . ARG 34 34 50626 1 . CYS 35 35 50626 1 . GLN 36 36 50626 1 . GLY 37 37 50626 1 . SER 38 38 50626 1 . GLY 39 39 50626 1 . ASP 40 40 50626 1 . ASP 41 41 50626 1 . ASN 42 42 50626 1 . LEU 43 43 50626 1 . THR 44 44 50626 1 . SER 45 45 50626 1 . LEU 46 46 50626 1 . GLY 47 47 50626 1 . THR 48 48 50626 1 . LEU 49 49 50626 1 . ASN 50 50 50626 1 . PHE 51 51 50626 1 . PRO 52 52 50626 1 . GLY 53 53 50626 1 . ARG 54 54 50626 1 . THR 55 55 50626 1 . VAL 56 56 50626 1 . PHE 57 57 50626 1 . SER 58 58 50626 1 . ASN 59 59 50626 1 . GLY 60 60 50626 1 . TYR 61 61 50626 1 . SER 62 62 50626 1 . SER 63 63 50626 1 . PRO 64 64 50626 1 . SER 65 65 50626 1 . MET 66 66 50626 1 . ARG 67 67 50626 1 . PRO 68 68 50626 1 . ASP 69 69 50626 1 . VAL 70 70 50626 1 . SER 71 71 50626 1 . SER 72 72 50626 1 . PRO 73 73 50626 1 . PRO 74 74 50626 1 . SER 75 75 50626 1 . SER 76 76 50626 1 . SER 77 77 50626 1 . SER 78 78 50626 1 . THR 79 79 50626 1 . ALA 80 80 50626 1 . THR 81 81 50626 1 . THR 82 82 50626 1 . GLY 83 83 50626 1 . PRO 84 84 50626 1 . PRO 85 85 50626 1 . PRO 86 86 50626 1 . LYS 87 87 50626 1 . LEU 88 88 50626 1 . CYS 89 89 50626 1 . LEU 90 90 50626 1 . VAL 91 91 50626 1 . CYS 92 92 50626 1 . SER 93 93 50626 1 . ASP 94 94 50626 1 . GLU 95 95 50626 1 . ALA 96 96 50626 1 . SER 97 97 50626 1 . GLY 98 98 50626 1 . CYS 99 99 50626 1 . HIS 100 100 50626 1 . TYR 101 101 50626 1 . GLY 102 102 50626 1 . VAL 103 103 50626 1 . LEU 104 104 50626 1 . THR 105 105 50626 1 . CYS 106 106 50626 1 . GLY 107 107 50626 1 . SER 108 108 50626 1 . CYS 109 109 50626 1 . LYS 110 110 50626 1 . VAL 111 111 50626 1 . PHE 112 112 50626 1 . PHE 113 113 50626 1 . LYS 114 114 50626 1 . ARG 115 115 50626 1 . ALA 116 116 50626 1 . VAL 117 117 50626 1 . GLU 118 118 50626 1 . GLY 119 119 50626 1 . GLN 120 120 50626 1 . HIS 121 121 50626 1 . ASN 122 122 50626 1 . TYR 123 123 50626 1 . LEU 124 124 50626 1 . CYS 125 125 50626 1 . ALA 126 126 50626 1 . GLY 127 127 50626 1 . ARG 128 128 50626 1 . ASN 129 129 50626 1 . ASP 130 130 50626 1 . CYS 131 131 50626 1 . ILE 132 132 50626 1 . ILE 133 133 50626 1 . ASP 134 134 50626 1 . LYS 135 135 50626 1 . ILE 136 136 50626 1 . ARG 137 137 50626 1 . ARG 138 138 50626 1 . LYS 139 139 50626 1 . ASN 140 140 50626 1 . CYS 141 141 50626 1 . PRO 142 142 50626 1 . ALA 143 143 50626 1 . CYS 144 144 50626 1 . ARG 145 145 50626 1 . TYR 146 146 50626 1 . ARG 147 147 50626 1 . LYS 148 148 50626 1 . CYS 149 149 50626 1 . LEU 150 150 50626 1 . GLN 151 151 50626 1 . ALA 152 152 50626 1 . GLY 153 153 50626 1 . MET 154 154 50626 1 . ASN 155 155 50626 1 . LEU 156 156 50626 1 . GLU 157 157 50626 1 . ALA 158 158 50626 1 . ARG 159 159 50626 1 . LYS 160 160 50626 1 . THR 161 161 50626 1 . LYS 162 162 50626 1 . LYS 163 163 50626 1 . LYS 164 164 50626 1 . ILE 165 165 50626 1 . LYS 166 166 50626 1 . GLY 167 167 50626 1 . ILE 168 168 50626 1 . GLN 169 169 50626 1 . GLN 170 170 50626 1 . ALA 171 171 50626 1 . THR 172 172 50626 1 . THR 173 173 50626 1 . GLY 174 174 50626 1 . VAL 175 175 50626 1 . SER 176 176 50626 1 . GLN 177 177 50626 1 . GLU 178 178 50626 1 . THR 179 179 50626 1 . SER 180 180 50626 1 . GLU 181 181 50626 1 . ASN 182 182 50626 1 . PRO 183 183 50626 1 . GLY 184 184 50626 1 . ASN 185 185 50626 1 . LYS 186 186 50626 1 . THR 187 187 50626 1 . ILE 188 188 50626 1 . VAL 189 189 50626 1 . PRO 190 190 50626 1 . ALA 191 191 50626 1 . THR 192 192 50626 1 . LEU 193 193 50626 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50626 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 50626 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 50626 2 ZN 'Three letter code' 50626 2 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 ZN $chem_comp_ZN 50626 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50626 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50626 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50626 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pj411 . . . 50626 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 50626 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 50626 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50626 ZN [Zn++] SMILES CACTVS 3.341 50626 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50626 ZN [Zn+2] SMILES ACDLabs 10.04 50626 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50626 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50626 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 50626 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50626 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50626 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50626 _Sample.ID 1 _Sample.Name 'GR D3DBD' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 150 uM {15N,13C,2H}-D3DBD, 10% D2O, 20 mM Na2HPO4, pH 7.0, 100 mM NaCl, 5 mM TCEP; samples were thoroughly purged of oxygen under nitrogen and argon, stored in Shigemi tubes to minimize oxidation of zinc fingers. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'D3DBD monomer' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 150 . . uM . . . . 50626 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50626 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50626 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 50626 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 50626 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 50626 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50626 _Sample_condition_list.ID 1 _Sample_condition_list.Name GR_conditions _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' 0.16 . M 50626 1 pH 7.0 . pH 50626 1 pressure 1 . atm 50626 1 temperature 293 . K 50626 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50626 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50626 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50626 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50626 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50626 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50626 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50626 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'JHU Biomolecular NMR Facility 600 MHz magnet' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50626 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50626 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50626 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50626 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50626 1 5 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50626 1 6 '3D HN(CA)N' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50626 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 50626 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details 'Programs installed on NMRbox were used to process NUS data.' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50626 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name d3dbd_reference _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 methanol protons . . . . ppm 0 external indirect . . . . . . 50626 1 H 1 methanol protons . . . . ppm 0 external direct 1 . . . . . 50626 1 N 15 methanol protons . . . . ppm 0 external indirect . . . . . . 50626 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50626 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name d3dbd_assignments _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 50626 1 2 '3D HNCO' . . . 50626 1 3 '3D HNCA' . . . 50626 1 4 '3D HNCACB' . . . 50626 1 5 '3D CBCACONH' . . . 50626 1 6 '3D HN(CA)N' . . . 50626 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' . . . . 50626 1 'TROSY offset' 'amide nitrogens' . . . 50626 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50626 1 2 $software_2 . . 50626 1 3 $software_3 . . 50626 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 4 4 MET C C 13 175.780 0.00 . . . . . . . 336 MET C . 50626 1 2 . 1 . 1 4 4 MET CA C 13 55.013 0.00 . . . . . . . 336 MET CA . 50626 1 3 . 1 . 1 4 4 MET CB C 13 31.949 0.00 . . . . . . . 336 MET CB . 50626 1 4 . 1 . 1 5 5 ASN H H 1 8.538 0.00 . . . . . . . 337 ASN H . 50626 1 5 . 1 . 1 5 5 ASN C C 13 175.460 0.00 . . . . . . . 337 ASN C . 50626 1 6 . 1 . 1 5 5 ASN CA C 13 52.864 0.04 . . . . . . . 337 ASN CA . 50626 1 7 . 1 . 1 5 5 ASN CB C 13 37.927 0.06 . . . . . . . 337 ASN CB . 50626 1 8 . 1 . 1 5 5 ASN N N 15 121.027 0.08 . . . . . . . 337 ASN N . 50626 1 9 . 1 . 1 6 6 THR H H 1 8.107 0.01 . . . . . . . 338 THR H . 50626 1 10 . 1 . 1 6 6 THR C C 13 174.654 0.00 . . . . . . . 338 THR C . 50626 1 11 . 1 . 1 6 6 THR CA C 13 61.774 0.08 . . . . . . . 338 THR CA . 50626 1 12 . 1 . 1 6 6 THR CB C 13 68.964 0.10 . . . . . . . 338 THR CB . 50626 1 13 . 1 . 1 6 6 THR N N 15 115.370 0.06 . . . . . . . 338 THR N . 50626 1 14 . 1 . 1 7 7 ALA H H 1 8.258 0.00 . . . . . . . 339 ALA H . 50626 1 15 . 1 . 1 7 7 ALA C C 13 177.990 0.00 . . . . . . . 339 ALA C . 50626 1 16 . 1 . 1 7 7 ALA CA C 13 52.548 0.05 . . . . . . . 339 ALA CA . 50626 1 17 . 1 . 1 7 7 ALA CB C 13 18.243 0.09 . . . . . . . 339 ALA CB . 50626 1 18 . 1 . 1 7 7 ALA N N 15 126.577 0.06 . . . . . . . 339 ALA N . 50626 1 19 . 1 . 1 8 8 SER H H 1 8.156 0.00 . . . . . . . 340 SER H . 50626 1 20 . 1 . 1 8 8 SER C C 13 174.849 0.00 . . . . . . . 340 SER C . 50626 1 21 . 1 . 1 8 8 SER CA C 13 58.028 0.02 . . . . . . . 340 SER CA . 50626 1 22 . 1 . 1 8 8 SER CB C 13 63.014 0.07 . . . . . . . 340 SER CB . 50626 1 23 . 1 . 1 8 8 SER N N 15 115.320 0.07 . . . . . . . 340 SER N . 50626 1 24 . 1 . 1 9 9 LEU H H 1 8.177 0.01 . . . . . . . 341 LEU H . 50626 1 25 . 1 . 1 9 9 LEU C C 13 177.769 0.00 . . . . . . . 341 LEU C . 50626 1 26 . 1 . 1 9 9 LEU CA C 13 55.081 0.09 . . . . . . . 341 LEU CA . 50626 1 27 . 1 . 1 9 9 LEU CB C 13 41.130 0.04 . . . . . . . 341 LEU CB . 50626 1 28 . 1 . 1 9 9 LEU N N 15 124.394 0.08 . . . . . . . 341 LEU N . 50626 1 29 . 1 . 1 10 10 SER H H 1 8.168 0.00 . . . . . . . 342 SER H . 50626 1 30 . 1 . 1 10 10 SER C C 13 174.792 0.00 . . . . . . . 342 SER C . 50626 1 31 . 1 . 1 10 10 SER CA C 13 58.195 0.09 . . . . . . . 342 SER CA . 50626 1 32 . 1 . 1 10 10 SER CB C 13 62.955 0.12 . . . . . . . 342 SER CB . 50626 1 33 . 1 . 1 10 10 SER N N 15 116.220 0.08 . . . . . . . 342 SER N . 50626 1 34 . 1 . 1 11 11 GLN H H 1 8.233 0.00 . . . . . . . 343 GLN H . 50626 1 35 . 1 . 1 11 11 GLN C C 13 176.089 0.00 . . . . . . . 343 GLN C . 50626 1 36 . 1 . 1 11 11 GLN CA C 13 55.576 0.02 . . . . . . . 343 GLN CA . 50626 1 37 . 1 . 1 11 11 GLN CB C 13 28.441 0.02 . . . . . . . 343 GLN CB . 50626 1 38 . 1 . 1 11 11 GLN N N 15 122.235 0.09 . . . . . . . 343 GLN N . 50626 1 39 . 1 . 1 12 12 GLN H H 1 8.279 0.00 . . . . . . . 344 GLN H . 50626 1 40 . 1 . 1 12 12 GLN C C 13 176.136 0.00 . . . . . . . 344 GLN C . 50626 1 41 . 1 . 1 12 12 GLN CA C 13 55.700 0.05 . . . . . . . 344 GLN CA . 50626 1 42 . 1 . 1 12 12 GLN CB C 13 28.411 0.03 . . . . . . . 344 GLN CB . 50626 1 43 . 1 . 1 12 12 GLN N N 15 121.552 0.05 . . . . . . . 344 GLN N . 50626 1 44 . 1 . 1 13 13 GLN H H 1 8.373 0.00 . . . . . . . 345 GLN H . 50626 1 45 . 1 . 1 13 13 GLN C C 13 175.732 0.00 . . . . . . . 345 GLN C . 50626 1 46 . 1 . 1 13 13 GLN CA C 13 55.624 0.05 . . . . . . . 345 GLN CA . 50626 1 47 . 1 . 1 13 13 GLN CB C 13 28.589 0.05 . . . . . . . 345 GLN CB . 50626 1 48 . 1 . 1 13 13 GLN N N 15 121.795 0.04 . . . . . . . 345 GLN N . 50626 1 49 . 1 . 1 14 14 ASP H H 1 8.317 0.00 . . . . . . . 346 ASP H . 50626 1 50 . 1 . 1 14 14 ASP C C 13 175.995 0.00 . . . . . . . 346 ASP C . 50626 1 51 . 1 . 1 14 14 ASP CA C 13 54.117 0.04 . . . . . . . 346 ASP CA . 50626 1 52 . 1 . 1 14 14 ASP CB C 13 40.433 0.07 . . . . . . . 346 ASP CB . 50626 1 53 . 1 . 1 14 14 ASP N N 15 121.709 0.07 . . . . . . . 346 ASP N . 50626 1 54 . 1 . 1 15 15 GLN H H 1 8.173 0.00 . . . . . . . 347 GLN H . 50626 1 55 . 1 . 1 15 15 GLN C C 13 175.681 0.00 . . . . . . . 347 GLN C . 50626 1 56 . 1 . 1 15 15 GLN CA C 13 55.051 0.05 . . . . . . . 347 GLN CA . 50626 1 57 . 1 . 1 15 15 GLN CB C 13 28.601 0.01 . . . . . . . 347 GLN CB . 50626 1 58 . 1 . 1 15 15 GLN N N 15 120.604 0.06 . . . . . . . 347 GLN N . 50626 1 59 . 1 . 1 16 16 LYS H H 1 8.241 0.00 . . . . . . . 348 LYS H . 50626 1 60 . 1 . 1 16 16 LYS CA C 13 53.972 0.00 . . . . . . . 348 LYS CA . 50626 1 61 . 1 . 1 16 16 LYS CB C 13 31.154 0.00 . . . . . . . 348 LYS CB . 50626 1 62 . 1 . 1 16 16 LYS N N 15 124.610 0.04 . . . . . . . 348 LYS N . 50626 1 63 . 1 . 1 17 17 PRO C C 13 176.439 0.00 . . . . . . . 349 PRO C . 50626 1 64 . 1 . 1 17 17 PRO CA C 13 62.543 0.03 . . . . . . . 349 PRO CA . 50626 1 65 . 1 . 1 17 17 PRO CB C 13 31.142 0.07 . . . . . . . 349 PRO CB . 50626 1 66 . 1 . 1 18 18 ILE H H 1 8.045 0.00 . . . . . . . 350 ILE H . 50626 1 67 . 1 . 1 18 18 ILE C C 13 175.912 0.00 . . . . . . . 350 ILE C . 50626 1 68 . 1 . 1 18 18 ILE CA C 13 60.504 0.02 . . . . . . . 350 ILE CA . 50626 1 69 . 1 . 1 18 18 ILE CB C 13 37.910 0.07 . . . . . . . 350 ILE CB . 50626 1 70 . 1 . 1 18 18 ILE N N 15 121.169 0.05 . . . . . . . 350 ILE N . 50626 1 71 . 1 . 1 19 19 PHE H H 1 8.158 0.00 . . . . . . . 351 PHE H . 50626 1 72 . 1 . 1 19 19 PHE C C 13 175.072 0.00 . . . . . . . 351 PHE C . 50626 1 73 . 1 . 1 19 19 PHE CA C 13 56.764 0.01 . . . . . . . 351 PHE CA . 50626 1 74 . 1 . 1 19 19 PHE CB C 13 39.042 0.14 . . . . . . . 351 PHE CB . 50626 1 75 . 1 . 1 19 19 PHE N N 15 124.356 0.08 . . . . . . . 351 PHE N . 50626 1 76 . 1 . 1 20 20 ASN H H 1 8.314 0.00 . . . . . . . 352 ASN H . 50626 1 77 . 1 . 1 20 20 ASN C C 13 174.313 0.00 . . . . . . . 352 ASN C . 50626 1 78 . 1 . 1 20 20 ASN CA C 13 52.700 0.01 . . . . . . . 352 ASN CA . 50626 1 79 . 1 . 1 20 20 ASN CB C 13 38.564 0.02 . . . . . . . 352 ASN CB . 50626 1 80 . 1 . 1 20 20 ASN N N 15 121.618 0.03 . . . . . . . 352 ASN N . 50626 1 81 . 1 . 1 21 21 VAL H H 1 8.008 0.00 . . . . . . . 353 VAL H . 50626 1 82 . 1 . 1 21 21 VAL CA C 13 61.785 0.04 . . . . . . . 353 VAL CA . 50626 1 83 . 1 . 1 21 21 VAL CB C 13 31.852 0.00 . . . . . . . 353 VAL CB . 50626 1 84 . 1 . 1 21 21 VAL N N 15 121.493 0.10 . . . . . . . 353 VAL N . 50626 1 85 . 1 . 1 22 22 ILE H H 1 8.246 0.00 . . . . . . . 354 ILE H . 50626 1 86 . 1 . 1 22 22 ILE CA C 13 57.896 0.00 . . . . . . . 354 ILE CA . 50626 1 87 . 1 . 1 22 22 ILE CB C 13 37.456 0.00 . . . . . . . 354 ILE CB . 50626 1 88 . 1 . 1 22 22 ILE N N 15 127.855 0.05 . . . . . . . 354 ILE N . 50626 1 89 . 1 . 1 24 24 PRO C C 13 176.624 0.00 . . . . . . . 356 PRO C . 50626 1 90 . 1 . 1 24 24 PRO CA C 13 62.203 0.00 . . . . . . . 356 PRO CA . 50626 1 91 . 1 . 1 24 24 PRO CB C 13 31.071 0.00 . . . . . . . 356 PRO CB . 50626 1 92 . 1 . 1 25 25 ILE H H 1 8.024 0.00 . . . . . . . 357 ILE H . 50626 1 93 . 1 . 1 25 25 ILE CA C 13 58.153 0.00 . . . . . . . 357 ILE CA . 50626 1 94 . 1 . 1 25 25 ILE CB C 13 37.829 0.00 . . . . . . . 357 ILE CB . 50626 1 95 . 1 . 1 25 25 ILE N N 15 122.539 0.05 . . . . . . . 357 ILE N . 50626 1 96 . 1 . 1 26 26 PRO C C 13 176.999 0.00 . . . . . . . 358 PRO C . 50626 1 97 . 1 . 1 27 27 VAL H H 1 8.236 0.00 . . . . . . . 359 VAL H . 50626 1 98 . 1 . 1 27 27 VAL C C 13 177.058 0.00 . . . . . . . 359 VAL C . 50626 1 99 . 1 . 1 27 27 VAL CA C 13 62.445 0.07 . . . . . . . 359 VAL CA . 50626 1 100 . 1 . 1 27 27 VAL CB C 13 31.517 0.02 . . . . . . . 359 VAL CB . 50626 1 101 . 1 . 1 27 27 VAL N N 15 122.183 0.05 . . . . . . . 359 VAL N . 50626 1 102 . 1 . 1 28 28 GLY H H 1 8.350 0.00 . . . . . . . 360 GLY H . 50626 1 103 . 1 . 1 28 28 GLY C C 13 174.424 0.00 . . . . . . . 360 GLY C . 50626 1 104 . 1 . 1 28 28 GLY CA C 13 44.710 0.08 . . . . . . . 360 GLY CA . 50626 1 105 . 1 . 1 28 28 GLY N N 15 113.646 0.05 . . . . . . . 360 GLY N . 50626 1 106 . 1 . 1 29 29 SER H H 1 8.029 0.00 . . . . . . . 361 SER H . 50626 1 107 . 1 . 1 29 29 SER C C 13 174.821 0.00 . . . . . . . 361 SER C . 50626 1 108 . 1 . 1 29 29 SER CA C 13 58.168 0.07 . . . . . . . 361 SER CA . 50626 1 109 . 1 . 1 29 29 SER CB C 13 63.095 0.06 . . . . . . . 361 SER CB . 50626 1 110 . 1 . 1 29 29 SER N N 15 116.123 0.02 . . . . . . . 361 SER N . 50626 1 111 . 1 . 1 30 30 GLU H H 1 8.678 0.00 . . . . . . . 362 GLU H . 50626 1 112 . 1 . 1 30 30 GLU C C 13 176.596 0.00 . . . . . . . 362 GLU C . 50626 1 113 . 1 . 1 30 30 GLU CA C 13 56.911 0.13 . . . . . . . 362 GLU CA . 50626 1 114 . 1 . 1 30 30 GLU CB C 13 28.732 0.01 . . . . . . . 362 GLU CB . 50626 1 115 . 1 . 1 30 30 GLU N N 15 122.976 0.05 . . . . . . . 362 GLU N . 50626 1 116 . 1 . 1 31 31 ASN H H 1 8.283 0.00 . . . . . . . 363 ASN H . 50626 1 117 . 1 . 1 31 31 ASN C C 13 175.285 0.00 . . . . . . . 363 ASN C . 50626 1 118 . 1 . 1 31 31 ASN CA C 13 53.135 0.02 . . . . . . . 363 ASN CA . 50626 1 119 . 1 . 1 31 31 ASN CB C 13 38.005 0.06 . . . . . . . 363 ASN CB . 50626 1 120 . 1 . 1 31 31 ASN N N 15 118.766 0.08 . . . . . . . 363 ASN N . 50626 1 121 . 1 . 1 32 32 TRP H H 1 7.847 0.00 . . . . . . . 364 TRP H . 50626 1 122 . 1 . 1 32 32 TRP C C 13 176.117 0.00 . . . . . . . 364 TRP C . 50626 1 123 . 1 . 1 32 32 TRP CA C 13 57.345 0.05 . . . . . . . 364 TRP CA . 50626 1 124 . 1 . 1 32 32 TRP CB C 13 28.475 0.04 . . . . . . . 364 TRP CB . 50626 1 125 . 1 . 1 32 32 TRP N N 15 121.467 0.05 . . . . . . . 364 TRP N . 50626 1 126 . 1 . 1 33 33 ASN H H 1 8.083 0.00 . . . . . . . 365 ASN H . 50626 1 127 . 1 . 1 33 33 ASN C C 13 175.100 0.00 . . . . . . . 365 ASN C . 50626 1 128 . 1 . 1 33 33 ASN CA C 13 52.926 0.05 . . . . . . . 365 ASN CA . 50626 1 129 . 1 . 1 33 33 ASN CB C 13 37.912 0.06 . . . . . . . 365 ASN CB . 50626 1 130 . 1 . 1 33 33 ASN N N 15 120.274 0.06 . . . . . . . 365 ASN N . 50626 1 131 . 1 . 1 34 34 ARG H H 1 7.930 0.00 . . . . . . . 366 ARG H . 50626 1 132 . 1 . 1 34 34 ARG C C 13 176.412 0.00 . . . . . . . 366 ARG C . 50626 1 133 . 1 . 1 34 34 ARG CA C 13 55.983 0.06 . . . . . . . 366 ARG CA . 50626 1 134 . 1 . 1 34 34 ARG CB C 13 29.541 0.06 . . . . . . . 366 ARG CB . 50626 1 135 . 1 . 1 34 34 ARG N N 15 121.227 0.05 . . . . . . . 366 ARG N . 50626 1 136 . 1 . 1 35 35 CYS H H 1 8.232 0.00 . . . . . . . 367 CYS H . 50626 1 137 . 1 . 1 35 35 CYS CA C 13 58.324 0.00 . . . . . . . 367 CYS CA . 50626 1 138 . 1 . 1 35 35 CYS CB C 13 27.076 0.00 . . . . . . . 367 CYS CB . 50626 1 139 . 1 . 1 35 35 CYS N N 15 120.052 0.06 . . . . . . . 367 CYS N . 50626 1 140 . 1 . 1 36 36 GLN C C 13 176.388 0.00 . . . . . . . 368 GLN C . 50626 1 141 . 1 . 1 36 36 GLN CA C 13 55.756 0.00 . . . . . . . 368 GLN CA . 50626 1 142 . 1 . 1 36 36 GLN CB C 13 28.404 0.01 . . . . . . . 368 GLN CB . 50626 1 143 . 1 . 1 36 36 GLN N N 15 122.811 0.07 . . . . . . . 368 GLN N . 50626 1 144 . 1 . 1 37 37 GLY H H 1 8.383 0.01 . . . . . . . 369 GLY H . 50626 1 145 . 1 . 1 37 37 GLY C C 13 174.190 0.00 . . . . . . . 369 GLY C . 50626 1 146 . 1 . 1 37 37 GLY CA C 13 44.736 0.06 . . . . . . . 369 GLY CA . 50626 1 147 . 1 . 1 37 37 GLY N N 15 110.939 0.05 . . . . . . . 369 GLY N . 50626 1 148 . 1 . 1 38 38 SER H H 1 8.248 0.00 . . . . . . . 370 SER H . 50626 1 149 . 1 . 1 38 38 SER C C 13 175.099 0.00 . . . . . . . 370 SER C . 50626 1 150 . 1 . 1 38 38 SER CA C 13 57.999 0.08 . . . . . . . 370 SER CA . 50626 1 151 . 1 . 1 38 38 SER CB C 13 63.345 0.01 . . . . . . . 370 SER CB . 50626 1 152 . 1 . 1 38 38 SER N N 15 116.165 0.06 . . . . . . . 370 SER N . 50626 1 153 . 1 . 1 39 39 GLY H H 1 8.439 0.00 . . . . . . . 371 GLY H . 50626 1 154 . 1 . 1 39 39 GLY C C 13 174.019 0.00 . . . . . . . 371 GLY C . 50626 1 155 . 1 . 1 39 39 GLY CA C 13 44.908 0.04 . . . . . . . 371 GLY CA . 50626 1 156 . 1 . 1 39 39 GLY N N 15 111.543 0.05 . . . . . . . 371 GLY N . 50626 1 157 . 1 . 1 40 40 ASP H H 1 8.149 0.00 . . . . . . . 372 ASP H . 50626 1 158 . 1 . 1 40 40 ASP C C 13 176.147 0.00 . . . . . . . 372 ASP C . 50626 1 159 . 1 . 1 40 40 ASP CA C 13 54.032 0.00 . . . . . . . 372 ASP CA . 50626 1 160 . 1 . 1 40 40 ASP CB C 13 40.571 0.04 . . . . . . . 372 ASP CB . 50626 1 161 . 1 . 1 40 40 ASP N N 15 121.029 0.06 . . . . . . . 372 ASP N . 50626 1 162 . 1 . 1 41 41 ASP H H 1 8.281 0.00 . . . . . . . 373 ASP H . 50626 1 163 . 1 . 1 41 41 ASP C C 13 176.206 0.00 . . . . . . . 373 ASP C . 50626 1 164 . 1 . 1 41 41 ASP CA C 13 54.241 0.03 . . . . . . . 373 ASP CA . 50626 1 165 . 1 . 1 41 41 ASP CB C 13 40.462 0.09 . . . . . . . 373 ASP CB . 50626 1 166 . 1 . 1 41 41 ASP N N 15 121.074 0.05 . . . . . . . 373 ASP N . 50626 1 167 . 1 . 1 42 42 ASN H H 1 8.320 0.00 . . . . . . . 374 ASN H . 50626 1 168 . 1 . 1 42 42 ASN C C 13 175.469 0.00 . . . . . . . 374 ASN C . 50626 1 169 . 1 . 1 42 42 ASN CA C 13 53.371 0.05 . . . . . . . 374 ASN CA . 50626 1 170 . 1 . 1 42 42 ASN CB C 13 38.043 0.05 . . . . . . . 374 ASN CB . 50626 1 171 . 1 . 1 42 42 ASN N N 15 118.840 0.04 . . . . . . . 374 ASN N . 50626 1 172 . 1 . 1 43 43 LEU H H 1 8.132 0.00 . . . . . . . 375 LEU H . 50626 1 173 . 1 . 1 43 43 LEU C C 13 178.075 0.00 . . . . . . . 375 LEU C . 50626 1 174 . 1 . 1 43 43 LEU CA C 13 55.395 0.01 . . . . . . . 375 LEU CA . 50626 1 175 . 1 . 1 43 43 LEU CB C 13 41.070 0.06 . . . . . . . 375 LEU CB . 50626 1 176 . 1 . 1 43 43 LEU N N 15 121.968 0.03 . . . . . . . 375 LEU N . 50626 1 177 . 1 . 1 44 44 THR H H 1 8.055 0.00 . . . . . . . 376 THR H . 50626 1 178 . 1 . 1 44 44 THR C C 13 175.023 0.00 . . . . . . . 376 THR C . 50626 1 179 . 1 . 1 44 44 THR CA C 13 62.015 0.04 . . . . . . . 376 THR CA . 50626 1 180 . 1 . 1 44 44 THR CB C 13 69.080 0.10 . . . . . . . 376 THR CB . 50626 1 181 . 1 . 1 44 44 THR N N 15 114.323 0.06 . . . . . . . 376 THR N . 50626 1 182 . 1 . 1 45 45 SER H H 1 8.165 0.00 . . . . . . . 377 SER H . 50626 1 183 . 1 . 1 45 45 SER C C 13 174.765 0.00 . . . . . . . 377 SER C . 50626 1 184 . 1 . 1 45 45 SER CA C 13 58.090 0.10 . . . . . . . 377 SER CA . 50626 1 185 . 1 . 1 45 45 SER CB C 13 63.006 0.09 . . . . . . . 377 SER CB . 50626 1 186 . 1 . 1 45 45 SER N N 15 118.105 0.04 . . . . . . . 377 SER N . 50626 1 187 . 1 . 1 46 46 LEU H H 1 8.114 0.00 . . . . . . . 378 LEU H . 50626 1 188 . 1 . 1 46 46 LEU C C 13 178.062 0.00 . . . . . . . 378 LEU C . 50626 1 189 . 1 . 1 46 46 LEU CA C 13 55.234 0.05 . . . . . . . 378 LEU CA . 50626 1 190 . 1 . 1 46 46 LEU CB C 13 41.180 0.02 . . . . . . . 378 LEU CB . 50626 1 191 . 1 . 1 46 46 LEU N N 15 124.118 0.06 . . . . . . . 378 LEU N . 50626 1 192 . 1 . 1 47 47 GLY H H 1 8.245 0.00 . . . . . . . 379 GLY H . 50626 1 193 . 1 . 1 47 47 GLY C C 13 174.391 0.00 . . . . . . . 379 GLY C . 50626 1 194 . 1 . 1 47 47 GLY CA C 13 45.004 0.03 . . . . . . . 379 GLY CA . 50626 1 195 . 1 . 1 47 47 GLY N N 15 109.317 0.04 . . . . . . . 379 GLY N . 50626 1 196 . 1 . 1 48 48 THR H H 1 7.876 0.00 . . . . . . . 380 THR H . 50626 1 197 . 1 . 1 48 48 THR C C 13 174.699 0.00 . . . . . . . 380 THR C . 50626 1 198 . 1 . 1 48 48 THR CA C 13 61.500 0.02 . . . . . . . 380 THR CA . 50626 1 199 . 1 . 1 48 48 THR CB C 13 69.137 0.11 . . . . . . . 380 THR CB . 50626 1 200 . 1 . 1 48 48 THR N N 15 114.006 0.04 . . . . . . . 380 THR N . 50626 1 201 . 1 . 1 49 49 LEU H H 1 8.114 0.00 . . . . . . . 381 LEU H . 50626 1 202 . 1 . 1 49 49 LEU C C 13 176.701 0.00 . . . . . . . 381 LEU C . 50626 1 203 . 1 . 1 49 49 LEU CA C 13 54.952 0.12 . . . . . . . 381 LEU CA . 50626 1 204 . 1 . 1 49 49 LEU CB C 13 41.171 0.06 . . . . . . . 381 LEU CB . 50626 1 205 . 1 . 1 49 49 LEU N N 15 124.153 0.05 . . . . . . . 381 LEU N . 50626 1 206 . 1 . 1 50 50 ASN H H 1 8.162 0.00 . . . . . . . 382 ASN H . 50626 1 207 . 1 . 1 50 50 ASN C C 13 174.184 0.00 . . . . . . . 382 ASN C . 50626 1 208 . 1 . 1 50 50 ASN CA C 13 52.674 0.01 . . . . . . . 382 ASN CA . 50626 1 209 . 1 . 1 50 50 ASN CB C 13 38.502 0.09 . . . . . . . 382 ASN CB . 50626 1 210 . 1 . 1 50 50 ASN N N 15 119.132 0.06 . . . . . . . 382 ASN N . 50626 1 211 . 1 . 1 51 51 PHE H H 1 8.017 0.00 . . . . . . . 383 PHE H . 50626 1 212 . 1 . 1 51 51 PHE CA C 13 55.219 0.00 . . . . . . . 383 PHE CA . 50626 1 213 . 1 . 1 51 51 PHE N N 15 121.922 0.04 . . . . . . . 383 PHE N . 50626 1 214 . 1 . 1 52 52 PRO C C 13 177.459 0.00 . . . . . . . 384 PRO C . 50626 1 215 . 1 . 1 52 52 PRO CA C 13 63.269 0.02 . . . . . . . 384 PRO CA . 50626 1 216 . 1 . 1 52 52 PRO CB C 13 30.973 0.00 . . . . . . . 384 PRO CB . 50626 1 217 . 1 . 1 53 53 GLY H H 1 8.100 0.00 . . . . . . . 385 GLY H . 50626 1 218 . 1 . 1 53 53 GLY C C 13 174.001 0.00 . . . . . . . 385 GLY C . 50626 1 219 . 1 . 1 53 53 GLY CA C 13 44.726 0.05 . . . . . . . 385 GLY CA . 50626 1 220 . 1 . 1 53 53 GLY N N 15 109.410 0.06 . . . . . . . 385 GLY N . 50626 1 221 . 1 . 1 54 54 ARG H H 1 7.977 0.00 . . . . . . . 386 ARG H . 50626 1 222 . 1 . 1 54 54 ARG C C 13 176.334 0.00 . . . . . . . 386 ARG C . 50626 1 223 . 1 . 1 54 54 ARG CA C 13 55.823 0.04 . . . . . . . 386 ARG CA . 50626 1 224 . 1 . 1 54 54 ARG CB C 13 30.027 0.04 . . . . . . . 386 ARG CB . 50626 1 225 . 1 . 1 54 54 ARG N N 15 121.032 0.06 . . . . . . . 386 ARG N . 50626 1 226 . 1 . 1 55 55 THR H H 1 8.208 0.00 . . . . . . . 387 THR H . 50626 1 227 . 1 . 1 55 55 THR C C 13 174.193 0.00 . . . . . . . 387 THR C . 50626 1 228 . 1 . 1 55 55 THR CA C 13 61.614 0.12 . . . . . . . 387 THR CA . 50626 1 229 . 1 . 1 55 55 THR CB C 13 69.381 0.04 . . . . . . . 387 THR CB . 50626 1 230 . 1 . 1 55 55 THR N N 15 116.831 0.05 . . . . . . . 387 THR N . 50626 1 231 . 1 . 1 56 56 VAL H H 1 8.017 0.00 . . . . . . . 388 VAL H . 50626 1 232 . 1 . 1 56 56 VAL C C 13 175.607 0.00 . . . . . . . 388 VAL C . 50626 1 233 . 1 . 1 56 56 VAL CA C 13 61.554 0.06 . . . . . . . 388 VAL CA . 50626 1 234 . 1 . 1 56 56 VAL CB C 13 31.924 0.10 . . . . . . . 388 VAL CB . 50626 1 235 . 1 . 1 56 56 VAL N N 15 122.894 0.08 . . . . . . . 388 VAL N . 50626 1 236 . 1 . 1 57 57 PHE H H 1 8.266 0.00 . . . . . . . 389 PHE H . 50626 1 237 . 1 . 1 57 57 PHE CA C 13 57.143 0.00 . . . . . . . 389 PHE CA . 50626 1 238 . 1 . 1 57 57 PHE CB C 13 38.870 0.00 . . . . . . . 389 PHE CB . 50626 1 239 . 1 . 1 57 57 PHE N N 15 124.345 0.04 . . . . . . . 389 PHE N . 50626 1 240 . 1 . 1 58 58 SER H H 1 8.168 0.00 . . . . . . . 390 SER H . 50626 1 241 . 1 . 1 58 58 SER N N 15 117.956 0.10 . . . . . . . 390 SER N . 50626 1 242 . 1 . 1 59 59 ASN C C 13 175.484 0.00 . . . . . . . 391 ASN C . 50626 1 243 . 1 . 1 59 59 ASN CA C 13 53.038 0.00 . . . . . . . 391 ASN CA . 50626 1 244 . 1 . 1 59 59 ASN CB C 13 38.136 0.00 . . . . . . . 391 ASN CB . 50626 1 245 . 1 . 1 60 60 GLY H H 1 8.214 0.00 . . . . . . . 392 GLY H . 50626 1 246 . 1 . 1 60 60 GLY C C 13 173.720 0.00 . . . . . . . 392 GLY C . 50626 1 247 . 1 . 1 60 60 GLY CA C 13 44.909 0.08 . . . . . . . 392 GLY CA . 50626 1 248 . 1 . 1 60 60 GLY N N 15 109.188 0.06 . . . . . . . 392 GLY N . 50626 1 249 . 1 . 1 61 61 TYR H H 1 7.950 0.00 . . . . . . . 393 TYR H . 50626 1 250 . 1 . 1 61 61 TYR C C 13 175.653 0.00 . . . . . . . 393 TYR C . 50626 1 251 . 1 . 1 61 61 TYR CA C 13 57.395 0.14 . . . . . . . 393 TYR CA . 50626 1 252 . 1 . 1 61 61 TYR CB C 13 38.087 0.07 . . . . . . . 393 TYR CB . 50626 1 253 . 1 . 1 61 61 TYR N N 15 120.679 0.07 . . . . . . . 393 TYR N . 50626 1 254 . 1 . 1 62 62 SER H H 1 8.061 0.00 . . . . . . . 394 SER H . 50626 1 255 . 1 . 1 62 62 SER C C 13 173.687 0.00 . . . . . . . 394 SER C . 50626 1 256 . 1 . 1 62 62 SER CA C 13 57.440 0.08 . . . . . . . 394 SER CA . 50626 1 257 . 1 . 1 62 62 SER CB C 13 63.243 0.02 . . . . . . . 394 SER CB . 50626 1 258 . 1 . 1 62 62 SER N N 15 118.410 0.06 . . . . . . . 394 SER N . 50626 1 259 . 1 . 1 63 63 SER H H 1 8.131 0.00 . . . . . . . 395 SER H . 50626 1 260 . 1 . 1 63 63 SER CA C 13 55.917 0.00 . . . . . . . 395 SER CA . 50626 1 261 . 1 . 1 63 63 SER CB C 13 63.063 0.00 . . . . . . . 395 SER CB . 50626 1 262 . 1 . 1 63 63 SER N N 15 119.138 0.09 . . . . . . . 395 SER N . 50626 1 263 . 1 . 1 64 64 PRO CA C 13 63.231 0.02 . . . . . . . 396 PRO CA . 50626 1 264 . 1 . 1 64 64 PRO CB C 13 31.180 0.05 . . . . . . . 396 PRO CB . 50626 1 265 . 1 . 1 65 65 SER H H 1 8.196 0.01 . . . . . . . 397 SER H . 50626 1 266 . 1 . 1 65 65 SER C C 13 174.425 0.00 . . . . . . . 397 SER C . 50626 1 267 . 1 . 1 65 65 SER CA C 13 58.072 0.05 . . . . . . . 397 SER CA . 50626 1 268 . 1 . 1 65 65 SER CB C 13 62.948 0.10 . . . . . . . 397 SER CB . 50626 1 269 . 1 . 1 65 65 SER N N 15 115.418 0.06 . . . . . . . 397 SER N . 50626 1 270 . 1 . 1 66 66 MET H H 1 8.159 0.00 . . . . . . . 398 MET H . 50626 1 271 . 1 . 1 66 66 MET C C 13 175.730 0.00 . . . . . . . 398 MET C . 50626 1 272 . 1 . 1 66 66 MET CA C 13 54.830 0.07 . . . . . . . 398 MET CA . 50626 1 273 . 1 . 1 66 66 MET CB C 13 31.950 0.05 . . . . . . . 398 MET CB . 50626 1 274 . 1 . 1 66 66 MET N N 15 122.497 0.08 . . . . . . . 398 MET N . 50626 1 275 . 1 . 1 67 67 ARG H H 1 8.171 0.00 . . . . . . . 399 ARG H . 50626 1 276 . 1 . 1 67 67 ARG CA C 13 53.454 0.00 . . . . . . . 399 ARG CA . 50626 1 277 . 1 . 1 67 67 ARG CB C 13 29.102 0.00 . . . . . . . 399 ARG CB . 50626 1 278 . 1 . 1 67 67 ARG N N 15 123.632 0.10 . . . . . . . 399 ARG N . 50626 1 279 . 1 . 1 68 68 PRO C C 13 177.271 0.00 . . . . . . . 400 PRO C . 50626 1 280 . 1 . 1 68 68 PRO CA C 13 62.828 0.03 . . . . . . . 400 PRO CA . 50626 1 281 . 1 . 1 68 68 PRO CB C 13 31.181 0.02 . . . . . . . 400 PRO CB . 50626 1 282 . 1 . 1 69 69 ASP H H 1 8.404 0.00 . . . . . . . 401 ASP H . 50626 1 283 . 1 . 1 69 69 ASP C C 13 176.305 0.00 . . . . . . . 401 ASP C . 50626 1 284 . 1 . 1 69 69 ASP CA C 13 53.813 0.02 . . . . . . . 401 ASP CA . 50626 1 285 . 1 . 1 69 69 ASP CB C 13 40.352 0.04 . . . . . . . 401 ASP CB . 50626 1 286 . 1 . 1 69 69 ASP N N 15 120.567 0.03 . . . . . . . 401 ASP N . 50626 1 287 . 1 . 1 70 70 VAL H H 1 7.964 0.00 . . . . . . . 402 VAL H . 50626 1 288 . 1 . 1 70 70 VAL C C 13 176.163 0.00 . . . . . . . 402 VAL C . 50626 1 289 . 1 . 1 70 70 VAL CA C 13 61.604 0.07 . . . . . . . 402 VAL CA . 50626 1 290 . 1 . 1 70 70 VAL CB C 13 31.652 0.13 . . . . . . . 402 VAL CB . 50626 1 291 . 1 . 1 70 70 VAL N N 15 120.287 0.05 . . . . . . . 402 VAL N . 50626 1 292 . 1 . 1 71 71 SER H H 1 8.325 0.00 . . . . . . . 403 SER H . 50626 1 293 . 1 . 1 71 71 SER CA C 13 57.945 0.00 . . . . . . . 403 SER CA . 50626 1 294 . 1 . 1 71 71 SER CB C 13 63.072 0.00 . . . . . . . 403 SER CB . 50626 1 295 . 1 . 1 71 71 SER N N 15 119.594 0.07 . . . . . . . 403 SER N . 50626 1 296 . 1 . 1 74 74 PRO C C 13 177.074 0.00 . . . . . . . 406 PRO C . 50626 1 297 . 1 . 1 74 74 PRO CA C 13 62.721 0.04 . . . . . . . 406 PRO CA . 50626 1 298 . 1 . 1 74 74 PRO CB C 13 31.242 0.09 . . . . . . . 406 PRO CB . 50626 1 299 . 1 . 1 75 75 SER H H 1 8.400 0.00 . . . . . . . 407 SER H . 50626 1 300 . 1 . 1 75 75 SER C C 13 174.878 0.00 . . . . . . . 407 SER C . 50626 1 301 . 1 . 1 75 75 SER CA C 13 57.873 0.01 . . . . . . . 407 SER CA . 50626 1 302 . 1 . 1 75 75 SER CB C 13 63.019 0.02 . . . . . . . 407 SER CB . 50626 1 303 . 1 . 1 75 75 SER N N 15 116.591 0.07 . . . . . . . 407 SER N . 50626 1 304 . 1 . 1 76 76 SER H H 1 8.357 0.00 . . . . . . . 408 SER H . 50626 1 305 . 1 . 1 76 76 SER CA C 13 57.965 0.00 . . . . . . . 408 SER CA . 50626 1 306 . 1 . 1 76 76 SER CB C 13 62.912 0.00 . . . . . . . 408 SER CB . 50626 1 307 . 1 . 1 76 76 SER N N 15 118.291 0.08 . . . . . . . 408 SER N . 50626 1 308 . 1 . 1 77 77 SER C C 13 174.677 0.00 . . . . . . . 409 SER C . 50626 1 309 . 1 . 1 77 77 SER CA C 13 58.002 0.00 . . . . . . . 409 SER CA . 50626 1 310 . 1 . 1 77 77 SER CB C 13 63.167 0.00 . . . . . . . 409 SER CB . 50626 1 311 . 1 . 1 78 78 SER H H 1 8.301 0.00 . . . . . . . 410 SER H . 50626 1 312 . 1 . 1 78 78 SER C C 13 174.806 0.00 . . . . . . . 410 SER C . 50626 1 313 . 1 . 1 78 78 SER CA C 13 58.116 0.10 . . . . . . . 410 SER CA . 50626 1 314 . 1 . 1 78 78 SER CB C 13 62.994 0.01 . . . . . . . 410 SER CB . 50626 1 315 . 1 . 1 78 78 SER N N 15 118.068 0.05 . . . . . . . 410 SER N . 50626 1 316 . 1 . 1 79 79 THR H H 1 8.104 0.01 . . . . . . . 411 THR H . 50626 1 317 . 1 . 1 79 79 THR C C 13 174.379 0.00 . . . . . . . 411 THR C . 50626 1 318 . 1 . 1 79 79 THR CA C 13 61.524 0.00 . . . . . . . 411 THR CA . 50626 1 319 . 1 . 1 79 79 THR CB C 13 69.089 0.08 . . . . . . . 411 THR CB . 50626 1 320 . 1 . 1 79 79 THR N N 15 116.311 0.07 . . . . . . . 411 THR N . 50626 1 321 . 1 . 1 80 80 ALA H H 1 8.201 0.00 . . . . . . . 412 ALA H . 50626 1 322 . 1 . 1 80 80 ALA C C 13 177.919 0.00 . . . . . . . 412 ALA C . 50626 1 323 . 1 . 1 80 80 ALA CA C 13 52.151 0.04 . . . . . . . 412 ALA CA . 50626 1 324 . 1 . 1 80 80 ALA CB C 13 18.411 0.08 . . . . . . . 412 ALA CB . 50626 1 325 . 1 . 1 80 80 ALA N N 15 126.920 0.06 . . . . . . . 412 ALA N . 50626 1 326 . 1 . 1 81 81 THR H H 1 8.148 0.00 . . . . . . . 413 THR H . 50626 1 327 . 1 . 1 81 81 THR CA C 13 61.283 0.00 . . . . . . . 413 THR CA . 50626 1 328 . 1 . 1 81 81 THR CB C 13 69.111 0.00 . . . . . . . 413 THR CB . 50626 1 329 . 1 . 1 81 81 THR N N 15 113.997 0.08 . . . . . . . 413 THR N . 50626 1 330 . 1 . 1 82 82 THR C C 13 174.717 0.00 . . . . . . . 414 THR C . 50626 1 331 . 1 . 1 82 82 THR CA C 13 61.292 0.00 . . . . . . . 414 THR CA . 50626 1 332 . 1 . 1 82 82 THR CB C 13 69.397 0.00 . . . . . . . 414 THR CB . 50626 1 333 . 1 . 1 82 82 THR N N 15 116.259 0.01 . . . . . . . 414 THR N . 50626 1 334 . 1 . 1 83 83 GLY H H 1 8.161 0.00 . . . . . . . 415 GLY H . 50626 1 335 . 1 . 1 83 83 GLY CA C 13 43.928 0.02 . . . . . . . 415 GLY CA . 50626 1 336 . 1 . 1 83 83 GLY N N 15 111.853 0.08 . . . . . . . 415 GLY N . 50626 1 337 . 1 . 1 86 86 PRO C C 13 176.621 0.00 . . . . . . . 418 PRO C . 50626 1 338 . 1 . 1 86 86 PRO CA C 13 62.330 0.02 . . . . . . . 418 PRO CA . 50626 1 339 . 1 . 1 86 86 PRO CB C 13 31.424 0.00 . . . . . . . 418 PRO CB . 50626 1 340 . 1 . 1 87 87 LYS H H 1 8.449 0.00 . . . . . . . 419 LYS H . 50626 1 341 . 1 . 1 87 87 LYS C C 13 175.492 0.00 . . . . . . . 419 LYS C . 50626 1 342 . 1 . 1 87 87 LYS CA C 13 55.070 0.07 . . . . . . . 419 LYS CA . 50626 1 343 . 1 . 1 87 87 LYS CB C 13 31.964 0.16 . . . . . . . 419 LYS CB . 50626 1 344 . 1 . 1 87 87 LYS N N 15 121.923 0.04 . . . . . . . 419 LYS N . 50626 1 345 . 1 . 1 88 88 LEU H H 1 7.870 0.00 . . . . . . . 420 LEU H . 50626 1 346 . 1 . 1 88 88 LEU C C 13 175.713 0.00 . . . . . . . 420 LEU C . 50626 1 347 . 1 . 1 88 88 LEU CA C 13 52.989 0.02 . . . . . . . 420 LEU CA . 50626 1 348 . 1 . 1 88 88 LEU CB C 13 42.644 0.02 . . . . . . . 420 LEU CB . 50626 1 349 . 1 . 1 88 88 LEU N N 15 122.613 0.04 . . . . . . . 420 LEU N . 50626 1 350 . 1 . 1 89 89 CYS H H 1 9.307 0.00 . . . . . . . 421 CYS H . 50626 1 351 . 1 . 1 89 89 CYS C C 13 178.122 0.00 . . . . . . . 421 CYS C . 50626 1 352 . 1 . 1 89 89 CYS CA C 13 58.569 0.01 . . . . . . . 421 CYS CA . 50626 1 353 . 1 . 1 89 89 CYS CB C 13 30.048 0.03 . . . . . . . 421 CYS CB . 50626 1 354 . 1 . 1 89 89 CYS N N 15 121.911 0.04 . . . . . . . 421 CYS N . 50626 1 355 . 1 . 1 90 90 LEU H H 1 8.660 0.01 . . . . . . . 422 LEU H . 50626 1 356 . 1 . 1 90 90 LEU C C 13 176.526 0.00 . . . . . . . 422 LEU C . 50626 1 357 . 1 . 1 90 90 LEU CA C 13 56.867 0.06 . . . . . . . 422 LEU CA . 50626 1 358 . 1 . 1 90 90 LEU CB C 13 40.842 0.00 . . . . . . . 422 LEU CB . 50626 1 359 . 1 . 1 90 90 LEU N N 15 132.865 0.04 . . . . . . . 422 LEU N . 50626 1 360 . 1 . 1 91 91 VAL H H 1 8.987 0.01 . . . . . . . 423 VAL H . 50626 1 361 . 1 . 1 91 91 VAL C C 13 178.654 0.00 . . . . . . . 423 VAL C . 50626 1 362 . 1 . 1 91 91 VAL CA C 13 65.320 0.00 . . . . . . . 423 VAL CA . 50626 1 363 . 1 . 1 91 91 VAL CB C 13 30.837 0.00 . . . . . . . 423 VAL CB . 50626 1 364 . 1 . 1 91 91 VAL N N 15 122.184 0.06 . . . . . . . 423 VAL N . 50626 1 365 . 1 . 1 92 92 CYS H H 1 8.414 0.00 . . . . . . . 424 CYS H . 50626 1 366 . 1 . 1 92 92 CYS C C 13 175.410 0.00 . . . . . . . 424 CYS C . 50626 1 367 . 1 . 1 92 92 CYS CA C 13 57.978 0.04 . . . . . . . 424 CYS CA . 50626 1 368 . 1 . 1 92 92 CYS CB C 13 33.550 0.05 . . . . . . . 424 CYS CB . 50626 1 369 . 1 . 1 92 92 CYS N N 15 118.243 0.04 . . . . . . . 424 CYS N . 50626 1 370 . 1 . 1 93 93 SER H H 1 7.726 0.00 . . . . . . . 425 SER H . 50626 1 371 . 1 . 1 93 93 SER C C 13 172.831 0.00 . . . . . . . 425 SER C . 50626 1 372 . 1 . 1 93 93 SER CA C 13 61.095 0.16 . . . . . . . 425 SER CA . 50626 1 373 . 1 . 1 93 93 SER N N 15 113.038 0.03 . . . . . . . 425 SER N . 50626 1 374 . 1 . 1 94 94 ASP H H 1 8.690 0.01 . . . . . . . 426 ASP H . 50626 1 375 . 1 . 1 94 94 ASP C C 13 174.551 0.00 . . . . . . . 426 ASP C . 50626 1 376 . 1 . 1 94 94 ASP CA C 13 52.880 0.04 . . . . . . . 426 ASP CA . 50626 1 377 . 1 . 1 94 94 ASP CB C 13 41.719 0.02 . . . . . . . 426 ASP CB . 50626 1 378 . 1 . 1 94 94 ASP N N 15 120.819 0.04 . . . . . . . 426 ASP N . 50626 1 379 . 1 . 1 95 95 GLU H H 1 8.809 0.00 . . . . . . . 427 GLU H . 50626 1 380 . 1 . 1 95 95 GLU C C 13 176.339 0.00 . . . . . . . 427 GLU C . 50626 1 381 . 1 . 1 95 95 GLU CA C 13 57.513 0.04 . . . . . . . 427 GLU CA . 50626 1 382 . 1 . 1 95 95 GLU CB C 13 28.874 0.13 . . . . . . . 427 GLU CB . 50626 1 383 . 1 . 1 95 95 GLU N N 15 122.444 0.04 . . . . . . . 427 GLU N . 50626 1 384 . 1 . 1 96 96 ALA H H 1 8.513 0.00 . . . . . . . 428 ALA H . 50626 1 385 . 1 . 1 96 96 ALA C C 13 176.929 0.00 . . . . . . . 428 ALA C . 50626 1 386 . 1 . 1 96 96 ALA CA C 13 51.215 0.03 . . . . . . . 428 ALA CA . 50626 1 387 . 1 . 1 96 96 ALA CB C 13 18.506 0.00 . . . . . . . 428 ALA CB . 50626 1 388 . 1 . 1 96 96 ALA N N 15 126.402 0.05 . . . . . . . 428 ALA N . 50626 1 389 . 1 . 1 97 97 SER H H 1 9.018 0.03 . . . . . . . 429 SER H . 50626 1 390 . 1 . 1 97 97 SER C C 13 174.837 0.00 . . . . . . . 429 SER C . 50626 1 391 . 1 . 1 97 97 SER CA C 13 56.846 0.00 . . . . . . . 429 SER CA . 50626 1 392 . 1 . 1 97 97 SER CB C 13 64.073 0.05 . . . . . . . 429 SER CB . 50626 1 393 . 1 . 1 97 97 SER N N 15 115.272 0.04 . . . . . . . 429 SER N . 50626 1 394 . 1 . 1 98 98 GLY H H 1 7.592 0.01 . . . . . . . 430 GLY H . 50626 1 395 . 1 . 1 98 98 GLY C C 13 169.792 0.00 . . . . . . . 430 GLY C . 50626 1 396 . 1 . 1 98 98 GLY CA C 13 44.002 0.03 . . . . . . . 430 GLY CA . 50626 1 397 . 1 . 1 98 98 GLY N N 15 109.464 0.06 . . . . . . . 430 GLY N . 50626 1 398 . 1 . 1 99 99 CYS H H 1 8.100 0.01 . . . . . . . 431 CYS H . 50626 1 399 . 1 . 1 99 99 CYS N N 15 119.530 0.09 . . . . . . . 431 CYS N . 50626 1 400 . 1 . 1 100 100 HIS H H 1 8.711 0.00 . . . . . . . 432 HIS H . 50626 1 401 . 1 . 1 100 100 HIS C C 13 173.973 0.00 . . . . . . . 432 HIS C . 50626 1 402 . 1 . 1 100 100 HIS CA C 13 54.557 0.00 . . . . . . . 432 HIS CA . 50626 1 403 . 1 . 1 100 100 HIS CB C 13 33.733 0.00 . . . . . . . 432 HIS CB . 50626 1 404 . 1 . 1 100 100 HIS N N 15 126.905 0.00 . . . . . . . 432 HIS N . 50626 1 405 . 1 . 1 101 101 TYR H H 1 8.886 0.01 . . . . . . . 433 TYR H . 50626 1 406 . 1 . 1 101 101 TYR CA C 13 58.163 0.00 . . . . . . . 433 TYR CA . 50626 1 407 . 1 . 1 101 101 TYR CB C 13 37.768 0.00 . . . . . . . 433 TYR CB . 50626 1 408 . 1 . 1 101 101 TYR N N 15 119.985 0.03 . . . . . . . 433 TYR N . 50626 1 409 . 1 . 1 102 102 GLY H H 1 8.192 0.01 . . . . . . . 434 GLY H . 50626 1 410 . 1 . 1 102 102 GLY C C 13 174.767 0.00 . . . . . . . 434 GLY C . 50626 1 411 . 1 . 1 102 102 GLY CA C 13 44.322 0.09 . . . . . . . 434 GLY CA . 50626 1 412 . 1 . 1 102 102 GLY N N 15 101.774 0.04 . . . . . . . 434 GLY N . 50626 1 413 . 1 . 1 103 103 VAL H H 1 7.491 0.01 . . . . . . . 435 VAL H . 50626 1 414 . 1 . 1 103 103 VAL C C 13 174.532 0.00 . . . . . . . 435 VAL C . 50626 1 415 . 1 . 1 103 103 VAL CA C 13 60.016 0.05 . . . . . . . 435 VAL CA . 50626 1 416 . 1 . 1 103 103 VAL CB C 13 35.717 0.06 . . . . . . . 435 VAL CB . 50626 1 417 . 1 . 1 103 103 VAL N N 15 119.149 0.09 . . . . . . . 435 VAL N . 50626 1 418 . 1 . 1 104 104 LEU H H 1 8.308 0.01 . . . . . . . 436 LEU H . 50626 1 419 . 1 . 1 104 104 LEU C C 13 175.000 0.00 . . . . . . . 436 LEU C . 50626 1 420 . 1 . 1 104 104 LEU CA C 13 55.646 0.02 . . . . . . . 436 LEU CA . 50626 1 421 . 1 . 1 104 104 LEU CB C 13 40.602 0.02 . . . . . . . 436 LEU CB . 50626 1 422 . 1 . 1 104 104 LEU N N 15 128.786 0.09 . . . . . . . 436 LEU N . 50626 1 423 . 1 . 1 105 105 THR H H 1 8.487 0.01 . . . . . . . 437 THR H . 50626 1 424 . 1 . 1 105 105 THR C C 13 175.376 0.00 . . . . . . . 437 THR C . 50626 1 425 . 1 . 1 105 105 THR CA C 13 58.924 0.05 . . . . . . . 437 THR CA . 50626 1 426 . 1 . 1 105 105 THR CB C 13 74.496 0.11 . . . . . . . 437 THR CB . 50626 1 427 . 1 . 1 105 105 THR N N 15 116.866 0.06 . . . . . . . 437 THR N . 50626 1 428 . 1 . 1 106 106 CYS H H 1 9.201 0.00 . . . . . . . 438 CYS H . 50626 1 429 . 1 . 1 106 106 CYS C C 13 176.467 0.00 . . . . . . . 438 CYS C . 50626 1 430 . 1 . 1 106 106 CYS CA C 13 57.322 0.01 . . . . . . . 438 CYS CA . 50626 1 431 . 1 . 1 106 106 CYS CB C 13 32.076 0.17 . . . . . . . 438 CYS CB . 50626 1 432 . 1 . 1 106 106 CYS N N 15 118.187 0.05 . . . . . . . 438 CYS N . 50626 1 433 . 1 . 1 107 107 GLY H H 1 9.002 0.00 . . . . . . . 439 GLY H . 50626 1 434 . 1 . 1 107 107 GLY C C 13 175.586 0.00 . . . . . . . 439 GLY C . 50626 1 435 . 1 . 1 107 107 GLY CA C 13 46.565 0.14 . . . . . . . 439 GLY CA . 50626 1 436 . 1 . 1 107 107 GLY N N 15 108.607 0.04 . . . . . . . 439 GLY N . 50626 1 437 . 1 . 1 108 108 SER H H 1 8.027 0.00 . . . . . . . 440 SER H . 50626 1 438 . 1 . 1 108 108 SER C C 13 179.299 0.00 . . . . . . . 440 SER C . 50626 1 439 . 1 . 1 108 108 SER CA C 13 60.838 0.03 . . . . . . . 440 SER CA . 50626 1 440 . 1 . 1 108 108 SER CB C 13 62.069 0.00 . . . . . . . 440 SER CB . 50626 1 441 . 1 . 1 108 108 SER N N 15 117.537 0.03 . . . . . . . 440 SER N . 50626 1 442 . 1 . 1 109 109 CYS H H 1 9.544 0.00 . . . . . . . 441 CYS H . 50626 1 443 . 1 . 1 109 109 CYS C C 13 176.920 0.00 . . . . . . . 441 CYS C . 50626 1 444 . 1 . 1 109 109 CYS CA C 13 65.002 0.01 . . . . . . . 441 CYS CA . 50626 1 445 . 1 . 1 109 109 CYS CB C 13 28.061 0.00 . . . . . . . 441 CYS CB . 50626 1 446 . 1 . 1 109 109 CYS N N 15 126.045 0.04 . . . . . . . 441 CYS N . 50626 1 447 . 1 . 1 110 110 LYS H H 1 7.693 0.00 . . . . . . . 442 LYS H . 50626 1 448 . 1 . 1 110 110 LYS C C 13 177.224 0.00 . . . . . . . 442 LYS C . 50626 1 449 . 1 . 1 110 110 LYS CA C 13 60.355 0.03 . . . . . . . 442 LYS CA . 50626 1 450 . 1 . 1 110 110 LYS CB C 13 31.059 0.00 . . . . . . . 442 LYS CB . 50626 1 451 . 1 . 1 110 110 LYS N N 15 120.177 0.04 . . . . . . . 442 LYS N . 50626 1 452 . 1 . 1 111 111 VAL H H 1 7.499 0.00 . . . . . . . 443 VAL H . 50626 1 453 . 1 . 1 111 111 VAL C C 13 177.885 0.00 . . . . . . . 443 VAL C . 50626 1 454 . 1 . 1 111 111 VAL CA C 13 65.449 0.00 . . . . . . . 443 VAL CA . 50626 1 455 . 1 . 1 111 111 VAL CB C 13 31.025 0.00 . . . . . . . 443 VAL CB . 50626 1 456 . 1 . 1 111 111 VAL N N 15 117.434 0.05 . . . . . . . 443 VAL N . 50626 1 457 . 1 . 1 112 112 PHE H H 1 8.335 0.00 . . . . . . . 444 PHE H . 50626 1 458 . 1 . 1 112 112 PHE C C 13 176.981 0.00 . . . . . . . 444 PHE C . 50626 1 459 . 1 . 1 112 112 PHE CA C 13 60.815 0.04 . . . . . . . 444 PHE CA . 50626 1 460 . 1 . 1 112 112 PHE CB C 13 38.586 0.00 . . . . . . . 444 PHE CB . 50626 1 461 . 1 . 1 112 112 PHE N N 15 121.114 0.01 . . . . . . . 444 PHE N . 50626 1 462 . 1 . 1 113 113 PHE H H 1 8.638 0.00 . . . . . . . 445 PHE H . 50626 1 463 . 1 . 1 113 113 PHE C C 13 175.602 0.00 . . . . . . . 445 PHE C . 50626 1 464 . 1 . 1 113 113 PHE CA C 13 61.598 0.44 . . . . . . . 445 PHE CA . 50626 1 465 . 1 . 1 113 113 PHE CB C 13 39.047 0.01 . . . . . . . 445 PHE CB . 50626 1 466 . 1 . 1 113 113 PHE N N 15 121.383 0.09 . . . . . . . 445 PHE N . 50626 1 467 . 1 . 1 114 114 LYS H H 1 7.752 0.00 . . . . . . . 446 LYS H . 50626 1 468 . 1 . 1 114 114 LYS C C 13 177.966 0.00 . . . . . . . 446 LYS C . 50626 1 469 . 1 . 1 114 114 LYS CA C 13 59.252 0.07 . . . . . . . 446 LYS CA . 50626 1 470 . 1 . 1 114 114 LYS CB C 13 32.139 0.19 . . . . . . . 446 LYS CB . 50626 1 471 . 1 . 1 114 114 LYS N N 15 118.287 0.03 . . . . . . . 446 LYS N . 50626 1 472 . 1 . 1 115 115 ARG H H 1 7.782 0.01 . . . . . . . 447 ARG H . 50626 1 473 . 1 . 1 115 115 ARG C C 13 179.273 0.00 . . . . . . . 447 ARG C . 50626 1 474 . 1 . 1 115 115 ARG CA C 13 58.173 0.07 . . . . . . . 447 ARG CA . 50626 1 475 . 1 . 1 115 115 ARG CB C 13 29.071 0.12 . . . . . . . 447 ARG CB . 50626 1 476 . 1 . 1 115 115 ARG N N 15 115.843 0.07 . . . . . . . 447 ARG N . 50626 1 477 . 1 . 1 116 116 ALA H H 1 7.780 0.01 . . . . . . . 448 ALA H . 50626 1 478 . 1 . 1 116 116 ALA C C 13 179.724 0.00 . . . . . . . 448 ALA C . 50626 1 479 . 1 . 1 116 116 ALA CA C 13 53.941 0.01 . . . . . . . 448 ALA CA . 50626 1 480 . 1 . 1 116 116 ALA CB C 13 17.501 0.10 . . . . . . . 448 ALA CB . 50626 1 481 . 1 . 1 116 116 ALA N N 15 123.339 0.06 . . . . . . . 448 ALA N . 50626 1 482 . 1 . 1 117 117 VAL H H 1 7.874 0.00 . . . . . . . 449 VAL H . 50626 1 483 . 1 . 1 117 117 VAL CA C 13 64.577 0.00 . . . . . . . 449 VAL CA . 50626 1 484 . 1 . 1 117 117 VAL CB C 13 30.873 0.00 . . . . . . . 449 VAL CB . 50626 1 485 . 1 . 1 117 117 VAL N N 15 116.670 0.10 . . . . . . . 449 VAL N . 50626 1 486 . 1 . 1 118 118 GLU C C 13 178.141 0.00 . . . . . . . 450 GLU C . 50626 1 487 . 1 . 1 118 118 GLU CA C 13 57.848 0.00 . . . . . . . 450 GLU CA . 50626 1 488 . 1 . 1 118 118 GLU CB C 13 28.754 0.00 . . . . . . . 450 GLU CB . 50626 1 489 . 1 . 1 119 119 GLY H H 1 7.457 0.01 . . . . . . . 451 GLY H . 50626 1 490 . 1 . 1 119 119 GLY C C 13 172.992 0.00 . . . . . . . 451 GLY C . 50626 1 491 . 1 . 1 119 119 GLY CA C 13 44.309 0.03 . . . . . . . 451 GLY CA . 50626 1 492 . 1 . 1 119 119 GLY N N 15 105.762 0.10 . . . . . . . 451 GLY N . 50626 1 493 . 1 . 1 120 120 GLN H H 1 7.598 0.01 . . . . . . . 452 GLN H . 50626 1 494 . 1 . 1 120 120 GLN CA C 13 55.423 0.00 . . . . . . . 452 GLN CA . 50626 1 495 . 1 . 1 120 120 GLN CB C 13 26.407 0.00 . . . . . . . 452 GLN CB . 50626 1 496 . 1 . 1 120 120 GLN N N 15 117.970 0.07 . . . . . . . 452 GLN N . 50626 1 497 . 1 . 1 123 123 TYR H H 1 7.988 0.00 . . . . . . . 455 TYR H . 50626 1 498 . 1 . 1 123 123 TYR C C 13 175.484 0.00 . . . . . . . 455 TYR C . 50626 1 499 . 1 . 1 123 123 TYR CA C 13 55.727 0.08 . . . . . . . 455 TYR CA . 50626 1 500 . 1 . 1 123 123 TYR CB C 13 38.766 0.08 . . . . . . . 455 TYR CB . 50626 1 501 . 1 . 1 123 123 TYR N N 15 121.646 0.00 . . . . . . . 455 TYR N . 50626 1 502 . 1 . 1 124 124 LEU H H 1 8.728 0.00 . . . . . . . 456 LEU H . 50626 1 503 . 1 . 1 124 124 LEU C C 13 176.255 0.00 . . . . . . . 456 LEU C . 50626 1 504 . 1 . 1 124 124 LEU CA C 13 53.241 0.01 . . . . . . . 456 LEU CA . 50626 1 505 . 1 . 1 124 124 LEU CB C 13 43.611 0.02 . . . . . . . 456 LEU CB . 50626 1 506 . 1 . 1 124 124 LEU N N 15 123.826 0.06 . . . . . . . 456 LEU N . 50626 1 507 . 1 . 1 125 125 CYS H H 1 8.954 0.00 . . . . . . . 457 CYS H . 50626 1 508 . 1 . 1 125 125 CYS C C 13 176.046 0.02 . . . . . . . 457 CYS C . 50626 1 509 . 1 . 1 125 125 CYS CA C 13 59.533 0.03 . . . . . . . 457 CYS CA . 50626 1 510 . 1 . 1 125 125 CYS CB C 13 29.841 0.01 . . . . . . . 457 CYS CB . 50626 1 511 . 1 . 1 125 125 CYS N N 15 130.347 0.04 . . . . . . . 457 CYS N . 50626 1 512 . 1 . 1 126 126 ALA H H 1 9.397 0.00 . . . . . . . 458 ALA H . 50626 1 513 . 1 . 1 126 126 ALA C C 13 177.417 0.00 . . . . . . . 458 ALA C . 50626 1 514 . 1 . 1 126 126 ALA CA C 13 52.701 0.04 . . . . . . . 458 ALA CA . 50626 1 515 . 1 . 1 126 126 ALA CB C 13 18.082 0.10 . . . . . . . 458 ALA CB . 50626 1 516 . 1 . 1 126 126 ALA N N 15 133.759 0.16 . . . . . . . 458 ALA N . 50626 1 517 . 1 . 1 127 127 GLY H H 1 9.756 0.00 . . . . . . . 459 GLY H . 50626 1 518 . 1 . 1 127 127 GLY C C 13 173.952 0.00 . . . . . . . 459 GLY C . 50626 1 519 . 1 . 1 127 127 GLY CA C 13 44.409 0.07 . . . . . . . 459 GLY CA . 50626 1 520 . 1 . 1 127 127 GLY N N 15 116.089 0.03 . . . . . . . 459 GLY N . 50626 1 521 . 1 . 1 128 128 ARG H H 1 8.720 0.01 . . . . . . . 460 ARG H . 50626 1 522 . 1 . 1 128 128 ARG C C 13 175.151 0.00 . . . . . . . 460 ARG C . 50626 1 523 . 1 . 1 128 128 ARG CA C 13 53.983 0.07 . . . . . . . 460 ARG CA . 50626 1 524 . 1 . 1 128 128 ARG CB C 13 28.316 0.03 . . . . . . . 460 ARG CB . 50626 1 525 . 1 . 1 128 128 ARG N N 15 127.365 0.09 . . . . . . . 460 ARG N . 50626 1 526 . 1 . 1 129 129 ASN H H 1 9.166 0.01 . . . . . . . 461 ASN H . 50626 1 527 . 1 . 1 129 129 ASN C C 13 174.568 0.00 . . . . . . . 461 ASN C . 50626 1 528 . 1 . 1 129 129 ASN CA C 13 54.664 0.00 . . . . . . . 461 ASN CA . 50626 1 529 . 1 . 1 129 129 ASN CB C 13 35.922 0.09 . . . . . . . 461 ASN CB . 50626 1 530 . 1 . 1 129 129 ASN N N 15 118.952 0.04 . . . . . . . 461 ASN N . 50626 1 531 . 1 . 1 130 130 ASP H H 1 8.086 0.00 . . . . . . . 462 ASP H . 50626 1 532 . 1 . 1 130 130 ASP C C 13 175.972 0.00 . . . . . . . 462 ASP C . 50626 1 533 . 1 . 1 130 130 ASP CA C 13 52.280 0.00 . . . . . . . 462 ASP CA . 50626 1 534 . 1 . 1 130 130 ASP CB C 13 40.184 0.17 . . . . . . . 462 ASP CB . 50626 1 535 . 1 . 1 130 130 ASP N N 15 116.896 0.03 . . . . . . . 462 ASP N . 50626 1 536 . 1 . 1 131 131 CYS H H 1 8.305 0.00 . . . . . . . 463 CYS H . 50626 1 537 . 1 . 1 131 131 CYS CA C 13 60.833 0.08 . . . . . . . 463 CYS CA . 50626 1 538 . 1 . 1 131 131 CYS CB C 13 29.127 0.09 . . . . . . . 463 CYS CB . 50626 1 539 . 1 . 1 131 131 CYS N N 15 124.471 0.06 . . . . . . . 463 CYS N . 50626 1 540 . 1 . 1 132 132 ILE H H 1 8.234 0.00 . . . . . . . 464 ILE H . 50626 1 541 . 1 . 1 132 132 ILE C C 13 174.909 0.00 . . . . . . . 464 ILE C . 50626 1 542 . 1 . 1 132 132 ILE CA C 13 60.733 0.00 . . . . . . . 464 ILE CA . 50626 1 543 . 1 . 1 132 132 ILE CB C 13 36.898 0.00 . . . . . . . 464 ILE CB . 50626 1 544 . 1 . 1 132 132 ILE N N 15 123.246 0.06 . . . . . . . 464 ILE N . 50626 1 545 . 1 . 1 133 133 ILE H H 1 8.480 0.00 . . . . . . . 465 ILE H . 50626 1 546 . 1 . 1 133 133 ILE C C 13 172.992 0.00 . . . . . . . 465 ILE C . 50626 1 547 . 1 . 1 133 133 ILE CA C 13 57.268 0.00 . . . . . . . 465 ILE CA . 50626 1 548 . 1 . 1 133 133 ILE CB C 13 36.739 0.00 . . . . . . . 465 ILE CB . 50626 1 549 . 1 . 1 133 133 ILE N N 15 128.512 0.05 . . . . . . . 465 ILE N . 50626 1 550 . 1 . 1 134 134 ASP H H 1 6.489 0.01 . . . . . . . 466 ASP H . 50626 1 551 . 1 . 1 134 134 ASP C C 13 177.019 0.00 . . . . . . . 466 ASP C . 50626 1 552 . 1 . 1 134 134 ASP CA C 13 51.522 0.03 . . . . . . . 466 ASP CA . 50626 1 553 . 1 . 1 134 134 ASP CB C 13 40.678 0.09 . . . . . . . 466 ASP CB . 50626 1 554 . 1 . 1 134 134 ASP N N 15 125.227 0.05 . . . . . . . 466 ASP N . 50626 1 555 . 1 . 1 135 135 LYS H H 1 8.415 0.00 . . . . . . . 467 LYS H . 50626 1 556 . 1 . 1 135 135 LYS C C 13 176.690 0.00 . . . . . . . 467 LYS C . 50626 1 557 . 1 . 1 135 135 LYS CA C 13 59.800 0.10 . . . . . . . 467 LYS CA . 50626 1 558 . 1 . 1 135 135 LYS CB C 13 31.725 0.00 . . . . . . . 467 LYS CB . 50626 1 559 . 1 . 1 135 135 LYS N N 15 119.185 0.06 . . . . . . . 467 LYS N . 50626 1 560 . 1 . 1 136 136 ILE H H 1 7.434 0.00 . . . . . . . 468 ILE H . 50626 1 561 . 1 . 1 136 136 ILE C C 13 178.676 0.00 . . . . . . . 468 ILE C . 50626 1 562 . 1 . 1 136 136 ILE CA C 13 61.903 0.00 . . . . . . . 468 ILE CA . 50626 1 563 . 1 . 1 136 136 ILE CB C 13 37.661 0.00 . . . . . . . 468 ILE CB . 50626 1 564 . 1 . 1 136 136 ILE N N 15 115.329 0.03 . . . . . . . 468 ILE N . 50626 1 565 . 1 . 1 137 137 ARG H H 1 8.467 0.00 . . . . . . . 469 ARG H . 50626 1 566 . 1 . 1 137 137 ARG CA C 13 56.828 0.00 . . . . . . . 469 ARG CA . 50626 1 567 . 1 . 1 137 137 ARG CB C 13 30.143 0.00 . . . . . . . 469 ARG CB . 50626 1 568 . 1 . 1 137 137 ARG N N 15 118.983 0.01 . . . . . . . 469 ARG N . 50626 1 569 . 1 . 1 138 138 ARG C C 13 175.380 0.00 . . . . . . . 470 ARG C . 50626 1 570 . 1 . 1 138 138 ARG CA C 13 58.583 0.00 . . . . . . . 470 ARG CA . 50626 1 571 . 1 . 1 138 138 ARG CB C 13 27.407 0.00 . . . . . . . 470 ARG CB . 50626 1 572 . 1 . 1 139 139 LYS H H 1 7.613 0.01 . . . . . . . 471 LYS H . 50626 1 573 . 1 . 1 139 139 LYS C C 13 177.042 0.00 . . . . . . . 471 LYS C . 50626 1 574 . 1 . 1 139 139 LYS CA C 13 56.834 0.00 . . . . . . . 471 LYS CA . 50626 1 575 . 1 . 1 139 139 LYS CB C 13 31.192 0.00 . . . . . . . 471 LYS CB . 50626 1 576 . 1 . 1 139 139 LYS N N 15 116.801 0.01 . . . . . . . 471 LYS N . 50626 1 577 . 1 . 1 140 140 ASN H H 1 7.886 0.00 . . . . . . . 472 ASN H . 50626 1 578 . 1 . 1 140 140 ASN C C 13 175.499 0.00 . . . . . . . 472 ASN C . 50626 1 579 . 1 . 1 140 140 ASN CA C 13 54.745 0.04 . . . . . . . 472 ASN CA . 50626 1 580 . 1 . 1 140 140 ASN CB C 13 37.813 0.00 . . . . . . . 472 ASN CB . 50626 1 581 . 1 . 1 140 140 ASN N N 15 116.694 0.09 . . . . . . . 472 ASN N . 50626 1 582 . 1 . 1 141 141 CYS H H 1 6.693 0.01 . . . . . . . 473 CYS H . 50626 1 583 . 1 . 1 141 141 CYS CA C 13 56.758 0.00 . . . . . . . 473 CYS CA . 50626 1 584 . 1 . 1 141 141 CYS N N 15 116.553 0.04 . . . . . . . 473 CYS N . 50626 1 585 . 1 . 1 142 142 PRO C C 13 177.570 0.00 . . . . . . . 474 PRO C . 50626 1 586 . 1 . 1 142 142 PRO CA C 13 64.050 0.01 . . . . . . . 474 PRO CA . 50626 1 587 . 1 . 1 142 142 PRO CB C 13 33.543 0.00 . . . . . . . 474 PRO CB . 50626 1 588 . 1 . 1 143 143 ALA H H 1 7.889 0.00 . . . . . . . 475 ALA H . 50626 1 589 . 1 . 1 143 143 ALA C C 13 180.649 0.00 . . . . . . . 475 ALA C . 50626 1 590 . 1 . 1 143 143 ALA CA C 13 55.687 0.03 . . . . . . . 475 ALA CA . 50626 1 591 . 1 . 1 143 143 ALA CB C 13 18.602 0.09 . . . . . . . 475 ALA CB . 50626 1 592 . 1 . 1 143 143 ALA N N 15 120.432 0.04 . . . . . . . 475 ALA N . 50626 1 593 . 1 . 1 144 144 CYS H H 1 9.616 0.01 . . . . . . . 476 CYS H . 50626 1 594 . 1 . 1 144 144 CYS C C 13 178.221 0.00 . . . . . . . 476 CYS C . 50626 1 595 . 1 . 1 144 144 CYS CA C 13 64.278 0.25 . . . . . . . 476 CYS CA . 50626 1 596 . 1 . 1 144 144 CYS CB C 13 28.985 0.00 . . . . . . . 476 CYS CB . 50626 1 597 . 1 . 1 144 144 CYS N N 15 123.318 0.04 . . . . . . . 476 CYS N . 50626 1 598 . 1 . 1 145 145 ARG H H 1 8.424 0.01 . . . . . . . 477 ARG H . 50626 1 599 . 1 . 1 145 145 ARG C C 13 177.851 0.00 . . . . . . . 477 ARG C . 50626 1 600 . 1 . 1 145 145 ARG CA C 13 59.634 0.06 . . . . . . . 477 ARG CA . 50626 1 601 . 1 . 1 145 145 ARG N N 15 122.499 0.05 . . . . . . . 477 ARG N . 50626 1 602 . 1 . 1 146 146 TYR H H 1 9.241 0.01 . . . . . . . 478 TYR H . 50626 1 603 . 1 . 1 146 146 TYR C C 13 176.939 0.00 . . . . . . . 478 TYR C . 50626 1 604 . 1 . 1 146 146 TYR CA C 13 61.451 0.12 . . . . . . . 478 TYR CA . 50626 1 605 . 1 . 1 146 146 TYR CB C 13 37.748 0.00 . . . . . . . 478 TYR CB . 50626 1 606 . 1 . 1 146 146 TYR N N 15 121.477 0.05 . . . . . . . 478 TYR N . 50626 1 607 . 1 . 1 147 147 ARG H H 1 8.267 0.01 . . . . . . . 479 ARG H . 50626 1 608 . 1 . 1 147 147 ARG C C 13 178.843 0.00 . . . . . . . 479 ARG C . 50626 1 609 . 1 . 1 147 147 ARG CA C 13 59.379 0.05 . . . . . . . 479 ARG CA . 50626 1 610 . 1 . 1 147 147 ARG N N 15 119.226 0.09 . . . . . . . 479 ARG N . 50626 1 611 . 1 . 1 148 148 LYS H H 1 8.035 0.00 . . . . . . . 480 LYS H . 50626 1 612 . 1 . 1 148 148 LYS C C 13 173.889 0.00 . . . . . . . 480 LYS C . 50626 1 613 . 1 . 1 148 148 LYS CA C 13 56.246 0.05 . . . . . . . 480 LYS CA . 50626 1 614 . 1 . 1 148 148 LYS CB C 13 31.694 0.02 . . . . . . . 480 LYS CB . 50626 1 615 . 1 . 1 148 148 LYS N N 15 120.381 0.07 . . . . . . . 480 LYS N . 50626 1 616 . 1 . 1 149 149 CYS H H 1 8.397 0.01 . . . . . . . 481 CYS H . 50626 1 617 . 1 . 1 149 149 CYS C C 13 176.875 0.00 . . . . . . . 481 CYS C . 50626 1 618 . 1 . 1 149 149 CYS CA C 13 63.311 0.06 . . . . . . . 481 CYS CA . 50626 1 619 . 1 . 1 149 149 CYS CB C 13 27.989 0.00 . . . . . . . 481 CYS CB . 50626 1 620 . 1 . 1 149 149 CYS N N 15 119.752 0.06 . . . . . . . 481 CYS N . 50626 1 621 . 1 . 1 150 150 LEU H H 1 7.871 0.01 . . . . . . . 482 LEU H . 50626 1 622 . 1 . 1 150 150 LEU C C 13 182.329 0.00 . . . . . . . 482 LEU C . 50626 1 623 . 1 . 1 150 150 LEU CA C 13 57.149 0.01 . . . . . . . 482 LEU CA . 50626 1 624 . 1 . 1 150 150 LEU CB C 13 40.258 0.05 . . . . . . . 482 LEU CB . 50626 1 625 . 1 . 1 150 150 LEU N N 15 119.185 0.03 . . . . . . . 482 LEU N . 50626 1 626 . 1 . 1 151 151 GLN H H 1 8.759 0.00 . . . . . . . 483 GLN H . 50626 1 627 . 1 . 1 151 151 GLN C C 13 177.712 0.00 . . . . . . . 483 GLN C . 50626 1 628 . 1 . 1 151 151 GLN CA C 13 58.116 0.00 . . . . . . . 483 GLN CA . 50626 1 629 . 1 . 1 151 151 GLN CB C 13 27.660 0.00 . . . . . . . 483 GLN CB . 50626 1 630 . 1 . 1 151 151 GLN N N 15 122.550 0.04 . . . . . . . 483 GLN N . 50626 1 631 . 1 . 1 152 152 ALA H H 1 7.964 0.00 . . . . . . . 484 ALA H . 50626 1 632 . 1 . 1 152 152 ALA C C 13 176.661 0.00 . . . . . . . 484 ALA C . 50626 1 633 . 1 . 1 152 152 ALA CA C 13 52.821 0.29 . . . . . . . 484 ALA CA . 50626 1 634 . 1 . 1 152 152 ALA CB C 13 17.537 0.16 . . . . . . . 484 ALA CB . 50626 1 635 . 1 . 1 152 152 ALA N N 15 119.744 0.08 . . . . . . . 484 ALA N . 50626 1 636 . 1 . 1 153 153 GLY H H 1 7.395 0.00 . . . . . . . 485 GLY H . 50626 1 637 . 1 . 1 153 153 GLY C C 13 175.148 0.00 . . . . . . . 485 GLY C . 50626 1 638 . 1 . 1 153 153 GLY CA C 13 43.834 0.09 . . . . . . . 485 GLY CA . 50626 1 639 . 1 . 1 153 153 GLY N N 15 102.321 0.03 . . . . . . . 485 GLY N . 50626 1 640 . 1 . 1 154 154 MET H H 1 7.581 0.00 . . . . . . . 486 MET H . 50626 1 641 . 1 . 1 154 154 MET C C 13 175.783 0.00 . . . . . . . 486 MET C . 50626 1 642 . 1 . 1 154 154 MET CA C 13 57.297 0.01 . . . . . . . 486 MET CA . 50626 1 643 . 1 . 1 154 154 MET CB C 13 31.810 0.05 . . . . . . . 486 MET CB . 50626 1 644 . 1 . 1 154 154 MET N N 15 120.660 0.07 . . . . . . . 486 MET N . 50626 1 645 . 1 . 1 155 155 ASN H H 1 8.502 0.00 . . . . . . . 487 ASN H . 50626 1 646 . 1 . 1 155 155 ASN C C 13 174.247 0.00 . . . . . . . 487 ASN C . 50626 1 647 . 1 . 1 155 155 ASN CA C 13 52.752 0.03 . . . . . . . 487 ASN CA . 50626 1 648 . 1 . 1 155 155 ASN CB C 13 41.262 0.03 . . . . . . . 487 ASN CB . 50626 1 649 . 1 . 1 155 155 ASN N N 15 118.415 0.05 . . . . . . . 487 ASN N . 50626 1 650 . 1 . 1 156 156 LEU H H 1 8.979 0.01 . . . . . . . 488 LEU H . 50626 1 651 . 1 . 1 156 156 LEU C C 13 179.291 0.00 . . . . . . . 488 LEU C . 50626 1 652 . 1 . 1 156 156 LEU CA C 13 56.061 0.00 . . . . . . . 488 LEU CA . 50626 1 653 . 1 . 1 156 156 LEU CB C 13 41.465 0.04 . . . . . . . 488 LEU CB . 50626 1 654 . 1 . 1 156 156 LEU N N 15 125.438 0.08 . . . . . . . 488 LEU N . 50626 1 655 . 1 . 1 157 157 GLU H H 1 8.405 0.00 . . . . . . . 489 GLU H . 50626 1 656 . 1 . 1 157 157 GLU C C 13 176.204 0.00 . . . . . . . 489 GLU C . 50626 1 657 . 1 . 1 157 157 GLU CA C 13 56.253 0.08 . . . . . . . 489 GLU CA . 50626 1 658 . 1 . 1 157 157 GLU CB C 13 29.089 0.07 . . . . . . . 489 GLU CB . 50626 1 659 . 1 . 1 157 157 GLU N N 15 120.919 1.25 . . . . . . . 489 GLU N . 50626 1 660 . 1 . 1 158 158 ALA H H 1 8.099 0.00 . . . . . . . 490 ALA H . 50626 1 661 . 1 . 1 158 158 ALA C C 13 177.636 0.00 . . . . . . . 490 ALA C . 50626 1 662 . 1 . 1 158 158 ALA CA C 13 52.320 0.02 . . . . . . . 490 ALA CA . 50626 1 663 . 1 . 1 158 158 ALA CB C 13 17.740 0.06 . . . . . . . 490 ALA CB . 50626 1 664 . 1 . 1 158 158 ALA N N 15 124.861 0.07 . . . . . . . 490 ALA N . 50626 1 665 . 1 . 1 159 159 ARG H H 1 8.345 0.01 . . . . . . . 491 ARG H . 50626 1 666 . 1 . 1 159 159 ARG C C 13 176.539 0.00 . . . . . . . 491 ARG C . 50626 1 667 . 1 . 1 159 159 ARG CA C 13 55.900 0.07 . . . . . . . 491 ARG CA . 50626 1 668 . 1 . 1 159 159 ARG CB C 13 29.902 0.03 . . . . . . . 491 ARG CB . 50626 1 669 . 1 . 1 159 159 ARG N N 15 120.358 0.07 . . . . . . . 491 ARG N . 50626 1 670 . 1 . 1 160 160 LYS H H 1 8.331 0.00 . . . . . . . 492 LYS H . 50626 1 671 . 1 . 1 160 160 LYS CB C 13 31.992 0.00 . . . . . . . 492 LYS CB . 50626 1 672 . 1 . 1 160 160 LYS N N 15 123.069 0.04 . . . . . . . 492 LYS N . 50626 1 673 . 1 . 1 161 161 THR C C 13 174.347 0.00 . . . . . . . 493 THR C . 50626 1 674 . 1 . 1 161 161 THR CA C 13 61.411 0.00 . . . . . . . 493 THR CA . 50626 1 675 . 1 . 1 161 161 THR CB C 13 69.469 0.13 . . . . . . . 493 THR CB . 50626 1 676 . 1 . 1 162 162 LYS H H 1 8.331 0.00 . . . . . . . 494 LYS H . 50626 1 677 . 1 . 1 162 162 LYS C C 13 176.316 0.00 . . . . . . . 494 LYS C . 50626 1 678 . 1 . 1 162 162 LYS CA C 13 55.889 0.07 . . . . . . . 494 LYS CA . 50626 1 679 . 1 . 1 162 162 LYS CB C 13 32.381 0.00 . . . . . . . 494 LYS CB . 50626 1 680 . 1 . 1 162 162 LYS N N 15 124.861 0.02 . . . . . . . 494 LYS N . 50626 1 681 . 1 . 1 163 163 LYS H H 1 8.359 0.00 . . . . . . . 495 LYS H . 50626 1 682 . 1 . 1 163 163 LYS C C 13 176.365 0.00 . . . . . . . 495 LYS C . 50626 1 683 . 1 . 1 163 163 LYS CA C 13 55.832 0.01 . . . . . . . 495 LYS CA . 50626 1 684 . 1 . 1 163 163 LYS CB C 13 32.050 0.03 . . . . . . . 495 LYS CB . 50626 1 685 . 1 . 1 163 163 LYS N N 15 124.456 0.12 . . . . . . . 495 LYS N . 50626 1 686 . 1 . 1 164 164 LYS H H 1 8.275 0.00 . . . . . . . 496 LYS H . 50626 1 687 . 1 . 1 164 164 LYS C C 13 176.321 0.00 . . . . . . . 496 LYS C . 50626 1 688 . 1 . 1 164 164 LYS CA C 13 55.788 0.05 . . . . . . . 496 LYS CA . 50626 1 689 . 1 . 1 164 164 LYS CB C 13 32.020 0.01 . . . . . . . 496 LYS CB . 50626 1 690 . 1 . 1 164 164 LYS N N 15 123.962 0.08 . . . . . . . 496 LYS N . 50626 1 691 . 1 . 1 165 165 ILE H H 1 8.191 0.00 . . . . . . . 497 ILE H . 50626 1 692 . 1 . 1 165 165 ILE C C 13 176.154 0.00 . . . . . . . 497 ILE C . 50626 1 693 . 1 . 1 165 165 ILE CA C 13 60.349 0.08 . . . . . . . 497 ILE CA . 50626 1 694 . 1 . 1 165 165 ILE CB C 13 37.931 0.16 . . . . . . . 497 ILE CB . 50626 1 695 . 1 . 1 165 165 ILE N N 15 123.886 0.06 . . . . . . . 497 ILE N . 50626 1 696 . 1 . 1 166 166 LYS H H 1 8.387 0.00 . . . . . . . 498 LYS H . 50626 1 697 . 1 . 1 166 166 LYS C C 13 176.846 0.00 . . . . . . . 498 LYS C . 50626 1 698 . 1 . 1 166 166 LYS CA C 13 56.092 0.02 . . . . . . . 498 LYS CA . 50626 1 699 . 1 . 1 166 166 LYS CB C 13 32.165 0.18 . . . . . . . 498 LYS CB . 50626 1 700 . 1 . 1 166 166 LYS N N 15 126.666 0.08 . . . . . . . 498 LYS N . 50626 1 701 . 1 . 1 167 167 GLY H H 1 8.341 0.00 . . . . . . . 499 GLY H . 50626 1 702 . 1 . 1 167 167 GLY C C 13 173.911 0.00 . . . . . . . 499 GLY C . 50626 1 703 . 1 . 1 167 167 GLY CA C 13 44.639 0.03 . . . . . . . 499 GLY CA . 50626 1 704 . 1 . 1 167 167 GLY N N 15 111.010 0.07 . . . . . . . 499 GLY N . 50626 1 705 . 1 . 1 168 168 ILE H H 1 7.976 0.00 . . . . . . . 500 ILE H . 50626 1 706 . 1 . 1 168 168 ILE C C 13 176.401 0.00 . . . . . . . 500 ILE C . 50626 1 707 . 1 . 1 168 168 ILE CA C 13 60.619 0.04 . . . . . . . 500 ILE CA . 50626 1 708 . 1 . 1 168 168 ILE CB C 13 37.842 0.04 . . . . . . . 500 ILE CB . 50626 1 709 . 1 . 1 168 168 ILE N N 15 120.666 0.04 . . . . . . . 500 ILE N . 50626 1 710 . 1 . 1 169 169 GLN H H 1 8.468 0.00 . . . . . . . 501 GLN H . 50626 1 711 . 1 . 1 169 169 GLN C C 13 175.715 0.00 . . . . . . . 501 GLN C . 50626 1 712 . 1 . 1 169 169 GLN CA C 13 55.285 0.04 . . . . . . . 501 GLN CA . 50626 1 713 . 1 . 1 169 169 GLN CB C 13 28.514 0.01 . . . . . . . 501 GLN CB . 50626 1 714 . 1 . 1 169 169 GLN N N 15 125.198 0.04 . . . . . . . 501 GLN N . 50626 1 715 . 1 . 1 170 170 GLN H H 1 8.396 0.00 . . . . . . . 502 GLN H . 50626 1 716 . 1 . 1 170 170 GLN C C 13 175.607 0.00 . . . . . . . 502 GLN C . 50626 1 717 . 1 . 1 170 170 GLN CA C 13 55.286 0.00 . . . . . . . 502 GLN CA . 50626 1 718 . 1 . 1 170 170 GLN CB C 13 28.742 0.06 . . . . . . . 502 GLN CB . 50626 1 719 . 1 . 1 170 170 GLN N N 15 122.990 0.05 . . . . . . . 502 GLN N . 50626 1 720 . 1 . 1 171 171 ALA H H 1 8.402 0.00 . . . . . . . 503 ALA H . 50626 1 721 . 1 . 1 171 171 ALA C C 13 177.933 0.00 . . . . . . . 503 ALA C . 50626 1 722 . 1 . 1 171 171 ALA CA C 13 52.113 0.03 . . . . . . . 503 ALA CA . 50626 1 723 . 1 . 1 171 171 ALA CB C 13 18.314 0.00 . . . . . . . 503 ALA CB . 50626 1 724 . 1 . 1 171 171 ALA N N 15 126.231 0.07 . . . . . . . 503 ALA N . 50626 1 725 . 1 . 1 172 172 THR H H 1 8.199 0.00 . . . . . . . 504 THR H . 50626 1 726 . 1 . 1 172 172 THR C C 13 176.756 0.00 . . . . . . . 504 THR C . 50626 1 727 . 1 . 1 172 172 THR CA C 13 61.268 0.01 . . . . . . . 504 THR CA . 50626 1 728 . 1 . 1 172 172 THR CB C 13 69.201 0.08 . . . . . . . 504 THR CB . 50626 1 729 . 1 . 1 172 172 THR N N 15 114.081 0.06 . . . . . . . 504 THR N . 50626 1 730 . 1 . 1 173 173 THR H H 1 8.086 0.01 . . . . . . . 505 THR H . 50626 1 731 . 1 . 1 173 173 THR C C 13 174.992 0.00 . . . . . . . 505 THR C . 50626 1 732 . 1 . 1 173 173 THR CA C 13 61.392 0.06 . . . . . . . 505 THR CA . 50626 1 733 . 1 . 1 173 173 THR CB C 13 69.363 0.12 . . . . . . . 505 THR CB . 50626 1 734 . 1 . 1 173 173 THR N N 15 116.303 0.04 . . . . . . . 505 THR N . 50626 1 735 . 1 . 1 174 174 GLY H H 1 8.357 0.00 . . . . . . . 506 GLY H . 50626 1 736 . 1 . 1 174 174 GLY C C 13 173.982 0.00 . . . . . . . 506 GLY C . 50626 1 737 . 1 . 1 174 174 GLY CA C 13 44.731 0.07 . . . . . . . 506 GLY CA . 50626 1 738 . 1 . 1 174 174 GLY N N 15 111.788 0.07 . . . . . . . 506 GLY N . 50626 1 739 . 1 . 1 175 175 VAL H H 1 7.950 0.00 . . . . . . . 507 VAL H . 50626 1 740 . 1 . 1 175 175 VAL C C 13 176.373 0.00 . . . . . . . 507 VAL C . 50626 1 741 . 1 . 1 175 175 VAL CA C 13 61.624 0.04 . . . . . . . 507 VAL CA . 50626 1 742 . 1 . 1 175 175 VAL CB C 13 31.967 0.04 . . . . . . . 507 VAL CB . 50626 1 743 . 1 . 1 175 175 VAL N N 15 119.736 0.08 . . . . . . . 507 VAL N . 50626 1 744 . 1 . 1 176 176 SER H H 1 8.410 0.00 . . . . . . . 508 SER H . 50626 1 745 . 1 . 1 176 176 SER C C 13 174.578 0.00 . . . . . . . 508 SER C . 50626 1 746 . 1 . 1 176 176 SER CA C 13 57.817 0.02 . . . . . . . 508 SER CA . 50626 1 747 . 1 . 1 176 176 SER CB C 13 63.068 0.02 . . . . . . . 508 SER CB . 50626 1 748 . 1 . 1 176 176 SER N N 15 120.256 0.06 . . . . . . . 508 SER N . 50626 1 749 . 1 . 1 177 177 GLN H H 1 8.468 0.00 . . . . . . . 509 GLN H . 50626 1 750 . 1 . 1 177 177 GLN C C 13 175.954 0.00 . . . . . . . 509 GLN C . 50626 1 751 . 1 . 1 177 177 GLN CA C 13 55.408 0.03 . . . . . . . 509 GLN CA . 50626 1 752 . 1 . 1 177 177 GLN CB C 13 28.738 0.01 . . . . . . . 509 GLN CB . 50626 1 753 . 1 . 1 177 177 GLN N N 15 123.229 0.04 . . . . . . . 509 GLN N . 50626 1 754 . 1 . 1 178 178 GLU H H 1 8.437 0.00 . . . . . . . 510 GLU H . 50626 1 755 . 1 . 1 178 178 GLU C C 13 176.863 0.00 . . . . . . . 510 GLU C . 50626 1 756 . 1 . 1 178 178 GLU CA C 13 56.309 0.00 . . . . . . . 510 GLU CA . 50626 1 757 . 1 . 1 178 178 GLU CB C 13 29.152 0.04 . . . . . . . 510 GLU CB . 50626 1 758 . 1 . 1 178 178 GLU N N 15 122.595 0.07 . . . . . . . 510 GLU N . 50626 1 759 . 1 . 1 179 179 THR H H 1 8.186 0.00 . . . . . . . 511 THR H . 50626 1 760 . 1 . 1 179 179 THR C C 13 174.632 0.00 . . . . . . . 511 THR C . 50626 1 761 . 1 . 1 179 179 THR CA C 13 61.224 0.07 . . . . . . . 511 THR CA . 50626 1 762 . 1 . 1 179 179 THR CB C 13 69.346 0.11 . . . . . . . 511 THR CB . 50626 1 763 . 1 . 1 179 179 THR N N 15 115.634 0.07 . . . . . . . 511 THR N . 50626 1 764 . 1 . 1 180 180 SER H H 1 8.287 0.00 . . . . . . . 512 SER H . 50626 1 765 . 1 . 1 180 180 SER C C 13 174.468 0.00 . . . . . . . 512 SER C . 50626 1 766 . 1 . 1 180 180 SER CA C 13 58.083 0.11 . . . . . . . 512 SER CA . 50626 1 767 . 1 . 1 180 180 SER CB C 13 63.096 0.03 . . . . . . . 512 SER CB . 50626 1 768 . 1 . 1 180 180 SER N N 15 118.438 0.07 . . . . . . . 512 SER N . 50626 1 769 . 1 . 1 181 181 GLU H H 1 8.345 0.00 . . . . . . . 513 GLU H . 50626 1 770 . 1 . 1 181 181 GLU C C 13 175.880 0.00 . . . . . . . 513 GLU C . 50626 1 771 . 1 . 1 181 181 GLU CA C 13 56.017 0.11 . . . . . . . 513 GLU CA . 50626 1 772 . 1 . 1 181 181 GLU CB C 13 29.305 0.00 . . . . . . . 513 GLU CB . 50626 1 773 . 1 . 1 181 181 GLU N N 15 122.800 0.03 . . . . . . . 513 GLU N . 50626 1 774 . 1 . 1 182 182 ASN H H 1 8.375 0.00 . . . . . . . 514 ASN H . 50626 1 775 . 1 . 1 182 182 ASN CA C 13 50.886 0.00 . . . . . . . 514 ASN CA . 50626 1 776 . 1 . 1 182 182 ASN CB C 13 38.312 0.00 . . . . . . . 514 ASN CB . 50626 1 777 . 1 . 1 182 182 ASN N N 15 120.835 0.07 . . . . . . . 514 ASN N . 50626 1 778 . 1 . 1 183 183 PRO C C 13 177.627 0.00 . . . . . . . 515 PRO C . 50626 1 779 . 1 . 1 183 183 PRO CA C 13 63.359 0.00 . . . . . . . 515 PRO CA . 50626 1 780 . 1 . 1 183 183 PRO CB C 13 31.060 0.13 . . . . . . . 515 PRO CB . 50626 1 781 . 1 . 1 184 184 GLY H H 1 8.375 0.00 . . . . . . . 516 GLY H . 50626 1 782 . 1 . 1 184 184 GLY C C 13 173.887 0.00 . . . . . . . 516 GLY C . 50626 1 783 . 1 . 1 184 184 GLY CA C 13 44.821 0.06 . . . . . . . 516 GLY CA . 50626 1 784 . 1 . 1 184 184 GLY N N 15 108.737 0.05 . . . . . . . 516 GLY N . 50626 1 785 . 1 . 1 185 185 ASN H H 1 8.117 0.01 . . . . . . . 517 ASN H . 50626 1 786 . 1 . 1 185 185 ASN C C 13 175.186 0.00 . . . . . . . 517 ASN C . 50626 1 787 . 1 . 1 185 185 ASN CA C 13 52.861 0.05 . . . . . . . 517 ASN CA . 50626 1 788 . 1 . 1 185 185 ASN CB C 13 38.160 0.02 . . . . . . . 517 ASN CB . 50626 1 789 . 1 . 1 185 185 ASN N N 15 119.121 0.04 . . . . . . . 517 ASN N . 50626 1 790 . 1 . 1 186 186 LYS H H 1 8.179 0.00 . . . . . . . 518 LYS H . 50626 1 791 . 1 . 1 186 186 LYS C C 13 176.562 0.00 . . . . . . . 518 LYS C . 50626 1 792 . 1 . 1 186 186 LYS CA C 13 55.842 0.02 . . . . . . . 518 LYS CA . 50626 1 793 . 1 . 1 186 186 LYS CB C 13 31.930 0.13 . . . . . . . 518 LYS CB . 50626 1 794 . 1 . 1 186 186 LYS N N 15 122.001 0.04 . . . . . . . 518 LYS N . 50626 1 795 . 1 . 1 187 187 THR H H 1 8.171 0.00 . . . . . . . 519 THR H . 50626 1 796 . 1 . 1 187 187 THR C C 13 174.193 0.00 . . . . . . . 519 THR C . 50626 1 797 . 1 . 1 187 187 THR CA C 13 61.844 0.06 . . . . . . . 519 THR CA . 50626 1 798 . 1 . 1 187 187 THR CB C 13 69.032 0.05 . . . . . . . 519 THR CB . 50626 1 799 . 1 . 1 187 187 THR N N 15 117.395 0.05 . . . . . . . 519 THR N . 50626 1 800 . 1 . 1 188 188 ILE H H 1 8.205 0.00 . . . . . . . 520 ILE H . 50626 1 801 . 1 . 1 188 188 ILE C C 13 175.853 0.00 . . . . . . . 520 ILE C . 50626 1 802 . 1 . 1 188 188 ILE CA C 13 60.356 0.07 . . . . . . . 520 ILE CA . 50626 1 803 . 1 . 1 188 188 ILE CB C 13 37.609 0.02 . . . . . . . 520 ILE CB . 50626 1 804 . 1 . 1 188 188 ILE N N 15 125.346 0.06 . . . . . . . 520 ILE N . 50626 1 805 . 1 . 1 189 189 VAL H H 1 8.257 0.00 . . . . . . . 521 VAL H . 50626 1 806 . 1 . 1 189 189 VAL CA C 13 59.227 0.00 . . . . . . . 521 VAL CA . 50626 1 807 . 1 . 1 189 189 VAL CB C 13 31.649 0.00 . . . . . . . 521 VAL CB . 50626 1 808 . 1 . 1 189 189 VAL N N 15 127.746 0.05 . . . . . . . 521 VAL N . 50626 1 809 . 1 . 1 190 190 PRO C C 13 176.433 0.00 . . . . . . . 522 PRO C . 50626 1 810 . 1 . 1 190 190 PRO CA C 13 62.581 0.02 . . . . . . . 522 PRO CA . 50626 1 811 . 1 . 1 190 190 PRO CB C 13 31.322 0.08 . . . . . . . 522 PRO CB . 50626 1 812 . 1 . 1 191 191 ALA H H 1 8.335 0.00 . . . . . . . 523 ALA H . 50626 1 813 . 1 . 1 191 191 ALA C C 13 177.863 0.00 . . . . . . . 523 ALA C . 50626 1 814 . 1 . 1 191 191 ALA CA C 13 51.996 0.01 . . . . . . . 523 ALA CA . 50626 1 815 . 1 . 1 191 191 ALA CB C 13 18.421 0.05 . . . . . . . 523 ALA CB . 50626 1 816 . 1 . 1 191 191 ALA N N 15 124.943 0.03 . . . . . . . 523 ALA N . 50626 1 817 . 1 . 1 192 192 THR H H 1 8.068 0.00 . . . . . . . 524 THR H . 50626 1 818 . 1 . 1 192 192 THR C C 13 173.606 0.00 . . . . . . . 524 THR C . 50626 1 819 . 1 . 1 192 192 THR CA C 13 61.149 0.01 . . . . . . . 524 THR CA . 50626 1 820 . 1 . 1 192 192 THR CB C 13 69.457 0.03 . . . . . . . 524 THR CB . 50626 1 821 . 1 . 1 192 192 THR N N 15 114.602 0.02 . . . . . . . 524 THR N . 50626 1 822 . 1 . 1 193 193 LEU H H 1 7.873 0.00 . . . . . . . 525 LEU H . 50626 1 823 . 1 . 1 193 193 LEU CA C 13 56.368 0.00 . . . . . . . 525 LEU CA . 50626 1 824 . 1 . 1 193 193 LEU CB C 13 42.367 0.00 . . . . . . . 525 LEU CB . 50626 1 825 . 1 . 1 193 193 LEU N N 15 130.912 0.02 . . . . . . . 525 LEU N . 50626 1 stop_ save_