data_50405 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50405 _Entry.Title ; WT1(-KTS) backbone and side chain 13C, 15N and 1H assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-22 _Entry.Accession_date 2020-07-22 _Entry.Last_release_date 2020-07-22 _Entry.Original_release_date 2020-07-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Almost complete assignments for all atoms in the free WT1 zinc finger protein (minus KTS isoform). Excludes some (overlapped) serine HA, HB, some (overlapped) Phe side chains and all Asn and Gln side chain N. Carbonyl 13C assignments are not included. ; _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 Tadateru Nishikawa . . . . 50405 2 Jonathan Wojciak . M. . . 50405 3 'Helen Jane' Dyson . . . 0000-0001-6855-3398 50405 4 Peter Wright . E. . 0000-0002-1368-0223 50405 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50405 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 50405 '15N chemical shifts' 109 50405 '1H chemical shifts' 724 50405 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-07-27 . original BMRB . 50405 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4707 'WT1-KTSs free; contains only HN, N, CA, CB assignments' 50405 BMRB 4708 'WT1-KTS/DNA complex' 50405 BMRB 4709 WT1+KTS/free 50405 BMRB 4710 'WT1+KTS/DNA complex' 50405 BMRB 50236 'WT1-KTS/RNA complex' 50405 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50405 _Citation.ID 1 _Citation.Name 'entry citation' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 10820004 _Citation.DOI 10.1021/bi9926678 _Citation.Full_citation . _Citation.Title ; Alternative splicing of Wilms' tumor suppressor protein modulates DNA binding activity through isoform-specific DNA-induced conformational changes. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 39 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-2960 _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 5341 _Citation.Page_last 5348 _Citation.Year 2000 _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 J. Laity J. H. . . 50405 1 2 J. Chung J. . . . 50405 1 3 H. Dyson H. J. . . 50405 1 4 P. Wright P. E. . . 50405 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 50405 _Citation.ID 2 _Citation.Name 'wt1 ref 1' _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; RNA Binding by the KTS Splice Variants of the Wilms' Tumor Suppressor Protein WT1 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details 'recently submitted' 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 Tadateru Nishikawa . . . . 50405 2 2 Jonathan Wojciak . M. . . 50405 2 3 'Helen Jane' Dyson . . . . 50405 2 4 Peter Wright . E. . . 50405 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50405 _Assembly.ID 1 _Assembly.Name 'WT1 zinc finger domain' _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _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 'UniProt 19544' _Assembly.Details 'Four independent zinc finger domains each held together by a 4-coordinate (2Cys, 2His) zinc coordination.' _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 WT1-KTS 1 $entity_1 . . yes native no no . . . 50405 1 2 'Zn 1' 2 $entity_ZN . . no native no no . . . 50405 1 3 'Zn 2' 2 $entity_ZN . . no native no no . . . 50405 1 4 'Zn 3' 2 $entity_ZN . . no native no no . . . 50405 1 5 'Zn 4' 2 $entity_ZN . . no native no no . . . 50405 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 'metal coordination' single . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . 325 CYS SG . . . 1 ZN ZN 50405 1 2 'metal coordination' single . 1 . 1 CYS 14 14 SG . 2 . 2 ZN 1 1 ZN . . . 330 CYS SG . . . 1 ZN ZN 50405 1 3 'metal coordination' single . 1 . 1 HIS 27 27 NE1 . 2 . 2 ZN 1 1 ZN . . . 343 HIS NE1 . . . 1 ZN ZN 50405 1 4 'metal coordination' single . 1 . 1 HIS 31 31 NE1 . 2 . 2 ZN 1 1 ZN . . . 347 HIS NE1 . . . 1 ZN ZN 50405 1 5 'metal coordination' single . 1 . 1 CYS 39 39 SG . 3 . 2 ZN 1 1 ZN . . . 355 CYS SG . . . 2 ZN ZN 50405 1 6 'metal coordination' single . 1 . 1 CYS 44 44 SG . 3 . 2 ZN 1 1 ZN . . . 360 CYS SG . . . 2 ZN ZN 50405 1 7 'metal coordination' single . 1 . 1 HIS 57 57 NE1 . 3 . 2 ZN 1 1 ZN . . . 373 HIS NE1 . . . 2 ZN ZN 50405 1 8 'metal coordination' single . 1 . 1 HIS 61 61 NE1 . 3 . 2 ZN 1 1 ZN . . . 377 HIS NE1 . . . 2 ZN ZN 50405 1 9 'metal coordination' single . 1 . 1 CYS 69 69 SG . 4 . 2 ZN 1 1 ZN . . . 385 CYS SG . . . 3 ZN ZN 50405 1 10 'metal coordination' single . 1 . 1 CYS 72 72 SG . 4 . 2 ZN 1 1 ZN . . . 388 CYS SG . . . 3 ZN ZN 50405 1 11 'metal coordination' single . 1 . 1 HIS 85 85 NE1 . 4 . 2 ZN 1 1 ZN . . . 401 HIS NE1 . . . 3 ZN ZN 50405 1 12 'metal coordination' single . 1 . 1 HIS 89 89 NE1 . 4 . 2 ZN 1 1 ZN . . . 405 HIS NE1 . . . 3 ZN ZN 50405 1 13 'metal coordination' single . 1 . 1 CYS 97 97 SG . 5 . 2 ZN 1 1 ZN . . . 413 CYS SG . . . 4 ZN ZN 50405 1 14 'metal coordination' single . 1 . 1 CYS 102 102 SG . 5 . 2 ZN 1 1 ZN . . . 418 CYS SG . . . 4 ZN ZN 50405 1 15 'metal coordination' single . 1 . 1 HIS 115 115 NE1 . 5 . 2 ZN 1 1 ZN . . . 431 HIS NE1 . . . 4 ZN ZN 50405 1 16 'metal coordination' single . 1 . 1 HIS 119 119 NE1 . 5 . 2 ZN 1 1 ZN . . . 435 HIS NE1 . . . 4 ZN ZN 50405 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2PRT . . 'solution NMR' . 'DNA complex' . 50405 1 yes PDB 6WLH . . 'solution NMR' . 'RNA complex' . 50405 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50405 _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 ; ASEKRPFMCAYPGCNKRYFK LSHLQMHSRKHTGEKPYQCD FKDCERRFSRSDQLKRHQRR HTGVKPFQCKTCQRKFSRSD HLKTHTRTHTGEKPFSCRWP SCQKKFARSDELVRHHNMH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '317 Ala - 318 Ser - 319 Glu................- 434 Met - 435 His' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 'UniProt 19544' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14450 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '4 Cys2-His2 zinc fingers' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes BMRB 15532 . wt1-17mer . . . . . . . . . . . . . . 50405 1 2 yes BMRB 15533 . wt1-zf14 . . . . . . . . . . . . . . 50405 1 3 yes BMRB 4708 . WT1 . . . . . . . . . . . . . . 50405 1 4 yes BMRB 4709 . WT1 . . . . . . . . . . . . . . 50405 1 5 yes BMRB 4710 . WT1 . . . . . . . . . . . . . . 50405 1 6 yes PDB 2JP9 . 'Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna' . . . . . . . . . . . . . . 50405 1 7 yes PDB 2JPA . 'Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna' . . . . . . . . . . . . . . 50405 1 8 yes PDB 2PRT . 'Structure Of The Wilms Tumor Suppressor Protein Zinc Finger Domain Bound To Dna' . . . . . . . . . . . . . . 50405 1 9 yes DBJ BAA11522 . 'WT1 [Xenopus laevis]' . . . . . . . . . . . . . . 50405 1 10 yes DBJ BAA28147 . 'unnamed protein product [Sus scrofa]' . . . . . . . . . . . . . . 50405 1 11 yes DBJ BAA94793 . 'WT1(-KTS) [Gallus gallus]' . . . . . . . . . . . . . . 50405 1 12 yes DBJ BAF84425 . 'unnamed protein product [Homo sapiens]' . . . . . . . . . . . . . . 50405 1 13 yes EMBL CAA35956 . 'Krueppel-like zinc-finger protein [Homo sapiens]' . . . . . . . . . . . . . . 50405 1 14 yes EMBL CAA43819 . 'unnamed protein product [Homo sapiens]' . . . . . . . . . . . . . . 50405 1 15 yes EMBL CDG23662 . 'Wt1 protein [Capreolus capreolus]' . . . . . . . . . . . . . . 50405 1 16 yes GB AAA36810 . "Wilms' tumor protein, partial [Homo sapiens]" . . . . . . . . . . . . . . 50405 1 17 yes GB AAA61299 . "Wilms' tumor assocated protein [Homo sapiens]" . . . . . . . . . . . . . . 50405 1 18 yes GB AAB33443 . 'WT1 [Homo sapiens]' . . . . . . . . . . . . . . 50405 1 19 yes GB AAB53152 . 'WT1 [Xenopus laevis]' . . . . . . . . . . . . . . 50405 1 20 yes GB AAH32861 . 'WT1 protein [Homo sapiens]' . . . . . . . . . . . . . . 50405 1 21 yes PRF 1604420A . 'Zn finger protein' . . . . . . . . . . . . . . 50405 1 22 yes REF NP_000369 . 'Wilms tumor protein isoform A [Homo sapiens]' . . . . . . . . . . . . . . 50405 1 23 yes REF NP_001001264 . 'Wilms tumor protein homolog [Sus scrofa]' . . . . . . . . . . . . . . 50405 1 24 yes REF NP_001079057 . 'Wilms tumor protein homolog A [Xenopus laevis]' . . . . . . . . . . . . . . 50405 1 25 yes REF NP_001079336 . 'Wilms tumor protein homolog B [Xenopus laevis]' . . . . . . . . . . . . . . 50405 1 26 yes REF NP_001135625 . 'Wilms tumor protein homolog [Xenopus (Silurana) tropicalis]' . . . . . . . . . . . . . . 50405 1 27 yes SP B5DE03 . 'RecName: Full=Wilms tumor protein homolog' . . . . . . . . . . . . . . 50405 1 28 yes SP O62651 . 'RecName: Full=Wilms tumor protein homolog' . . . . . . . . . . . . . . 50405 1 29 yes SP P19544 . 'RecName: Full=Wilms tumor protein; AltName: Full=WT33' . . . . . . . . . . . . . . 50405 1 30 yes SP P79958 . 'RecName: Full=Wilms tumor protein homolog B; Short=XWT1b; Short=XeWT1' . . . . . . . . . . . . . . 50405 1 31 yes TPG DAA21902 . 'TPA: Wilms tumor 1-like [Bos taurus]' . . . . . . . . . . . . . . 50405 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor (DNA and RNA binding)' 50405 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 1 317 ALA . 50405 1 2 318 SER . 50405 1 3 319 GLU . 50405 1 4 320 LYS . 50405 1 5 321 ARG . 50405 1 6 322 PRO . 50405 1 7 323 PHE . 50405 1 8 324 MET . 50405 1 9 325 CYS . 50405 1 10 326 ALA . 50405 1 11 327 TYR . 50405 1 12 328 PRO . 50405 1 13 329 GLY . 50405 1 14 330 CYS . 50405 1 15 331 ASN . 50405 1 16 332 LYS . 50405 1 17 333 ARG . 50405 1 18 334 TYR . 50405 1 19 335 PHE . 50405 1 20 336 LYS . 50405 1 21 337 LEU . 50405 1 22 338 SER . 50405 1 23 339 HIS . 50405 1 24 340 LEU . 50405 1 25 341 GLN . 50405 1 26 342 MET . 50405 1 27 343 HIS . 50405 1 28 344 SER . 50405 1 29 345 ARG . 50405 1 30 346 LYS . 50405 1 31 347 HIS . 50405 1 32 348 THR . 50405 1 33 349 GLY . 50405 1 34 350 GLU . 50405 1 35 351 LYS . 50405 1 36 352 PRO . 50405 1 37 353 TYR . 50405 1 38 354 GLN . 50405 1 39 355 CYS . 50405 1 40 356 ASP . 50405 1 41 357 PHE . 50405 1 42 358 LYS . 50405 1 43 359 ASP . 50405 1 44 360 CYS . 50405 1 45 361 GLU . 50405 1 46 362 ARG . 50405 1 47 363 ARG . 50405 1 48 364 PHE . 50405 1 49 365 SER . 50405 1 50 366 ARG . 50405 1 51 367 SER . 50405 1 52 368 ASP . 50405 1 53 369 GLN . 50405 1 54 370 LEU . 50405 1 55 371 LYS . 50405 1 56 372 ARG . 50405 1 57 373 HIS . 50405 1 58 374 GLN . 50405 1 59 375 ARG . 50405 1 60 376 ARG . 50405 1 61 377 HIS . 50405 1 62 378 THR . 50405 1 63 379 GLY . 50405 1 64 380 VAL . 50405 1 65 381 LYS . 50405 1 66 382 PRO . 50405 1 67 383 PHE . 50405 1 68 384 GLN . 50405 1 69 385 CYS . 50405 1 70 386 LYS . 50405 1 71 387 THR . 50405 1 72 388 CYS . 50405 1 73 389 GLN . 50405 1 74 390 ARG . 50405 1 75 391 LYS . 50405 1 76 392 PHE . 50405 1 77 393 SER . 50405 1 78 394 ARG . 50405 1 79 395 SER . 50405 1 80 396 ASP . 50405 1 81 397 HIS . 50405 1 82 398 LEU . 50405 1 83 399 LYS . 50405 1 84 400 THR . 50405 1 85 401 HIS . 50405 1 86 402 THR . 50405 1 87 403 ARG . 50405 1 88 404 THR . 50405 1 89 405 HIS . 50405 1 90 406 THR . 50405 1 91 407 GLY . 50405 1 92 408 GLU . 50405 1 93 409 LYS . 50405 1 94 410 PRO . 50405 1 95 411 PHE . 50405 1 96 412 SER . 50405 1 97 413 CYS . 50405 1 98 414 ARG . 50405 1 99 415 TRP . 50405 1 100 416 PRO . 50405 1 101 417 SER . 50405 1 102 418 CYS . 50405 1 103 419 GLN . 50405 1 104 420 LYS . 50405 1 105 421 LYS . 50405 1 106 422 PHE . 50405 1 107 423 ALA . 50405 1 108 424 ARG . 50405 1 109 425 SER . 50405 1 110 426 ASP . 50405 1 111 427 GLU . 50405 1 112 428 LEU . 50405 1 113 429 VAL . 50405 1 114 430 ARG . 50405 1 115 431 HIS . 50405 1 116 432 HIS . 50405 1 117 433 ASN . 50405 1 118 434 MET . 50405 1 119 435 HIS . 50405 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 . ALA 1 1 50405 1 . SER 2 2 50405 1 . GLU 3 3 50405 1 . LYS 4 4 50405 1 . ARG 5 5 50405 1 . PRO 6 6 50405 1 . PHE 7 7 50405 1 . MET 8 8 50405 1 . CYS 9 9 50405 1 . ALA 10 10 50405 1 . TYR 11 11 50405 1 . PRO 12 12 50405 1 . GLY 13 13 50405 1 . CYS 14 14 50405 1 . ASN 15 15 50405 1 . LYS 16 16 50405 1 . ARG 17 17 50405 1 . TYR 18 18 50405 1 . PHE 19 19 50405 1 . LYS 20 20 50405 1 . LEU 21 21 50405 1 . SER 22 22 50405 1 . HIS 23 23 50405 1 . LEU 24 24 50405 1 . GLN 25 25 50405 1 . MET 26 26 50405 1 . HIS 27 27 50405 1 . SER 28 28 50405 1 . ARG 29 29 50405 1 . LYS 30 30 50405 1 . HIS 31 31 50405 1 . THR 32 32 50405 1 . GLY 33 33 50405 1 . GLU 34 34 50405 1 . LYS 35 35 50405 1 . PRO 36 36 50405 1 . TYR 37 37 50405 1 . GLN 38 38 50405 1 . CYS 39 39 50405 1 . ASP 40 40 50405 1 . PHE 41 41 50405 1 . LYS 42 42 50405 1 . ASP 43 43 50405 1 . CYS 44 44 50405 1 . GLU 45 45 50405 1 . ARG 46 46 50405 1 . ARG 47 47 50405 1 . PHE 48 48 50405 1 . SER 49 49 50405 1 . ARG 50 50 50405 1 . SER 51 51 50405 1 . ASP 52 52 50405 1 . GLN 53 53 50405 1 . LEU 54 54 50405 1 . LYS 55 55 50405 1 . ARG 56 56 50405 1 . HIS 57 57 50405 1 . GLN 58 58 50405 1 . ARG 59 59 50405 1 . ARG 60 60 50405 1 . HIS 61 61 50405 1 . THR 62 62 50405 1 . GLY 63 63 50405 1 . VAL 64 64 50405 1 . LYS 65 65 50405 1 . PRO 66 66 50405 1 . PHE 67 67 50405 1 . GLN 68 68 50405 1 . CYS 69 69 50405 1 . LYS 70 70 50405 1 . THR 71 71 50405 1 . CYS 72 72 50405 1 . GLN 73 73 50405 1 . ARG 74 74 50405 1 . LYS 75 75 50405 1 . PHE 76 76 50405 1 . SER 77 77 50405 1 . ARG 78 78 50405 1 . SER 79 79 50405 1 . ASP 80 80 50405 1 . HIS 81 81 50405 1 . LEU 82 82 50405 1 . LYS 83 83 50405 1 . THR 84 84 50405 1 . HIS 85 85 50405 1 . THR 86 86 50405 1 . ARG 87 87 50405 1 . THR 88 88 50405 1 . HIS 89 89 50405 1 . THR 90 90 50405 1 . GLY 91 91 50405 1 . GLU 92 92 50405 1 . LYS 93 93 50405 1 . PRO 94 94 50405 1 . PHE 95 95 50405 1 . SER 96 96 50405 1 . CYS 97 97 50405 1 . ARG 98 98 50405 1 . TRP 99 99 50405 1 . PRO 100 100 50405 1 . SER 101 101 50405 1 . CYS 102 102 50405 1 . GLN 103 103 50405 1 . LYS 104 104 50405 1 . LYS 105 105 50405 1 . PHE 106 106 50405 1 . ALA 107 107 50405 1 . ARG 108 108 50405 1 . SER 109 109 50405 1 . ASP 110 110 50405 1 . GLU 111 111 50405 1 . LEU 112 112 50405 1 . VAL 113 113 50405 1 . ARG 114 114 50405 1 . HIS 115 115 50405 1 . HIS 116 116 50405 1 . ASN 117 117 50405 1 . MET 118 118 50405 1 . HIS 119 119 50405 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50405 _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 50405 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 50405 2 ZN 'Three letter code' 50405 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 50405 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 50405 _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 . . . . . . . . . . . wt1 . 50405 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 50405 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . PET21 . . . 50405 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 50405 _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 50405 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50405 ZN [Zn++] SMILES CACTVS 3.341 50405 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50405 ZN [Zn+2] SMILES ACDLabs 10.04 50405 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50405 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50405 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 50405 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50405 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 . 50405 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50405 _Sample.ID 1 _Sample.Name 'free proteins' _Sample.Type solution _Sample.Sub_type . _Sample.Details 'WT1 zinc finger domain (-KTS isoform)' _Sample.Aggregate_sample_number . _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 WT1 '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.55 0.5 0.6 mM . . . . 50405 1 2 'deuterated Tris' 'natural abundance' . . . . . . 10 . . mM . . . . 50405 1 3 KCl 'natural abundance' . . . . . . 20 . . mM . . . . 50405 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50405 1 5 NaN3 'natural abundance' . . . . . . 1 . . mM . . . . 50405 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 50405 _Sample_condition_list.ID 1 _Sample_condition_list.Name Conditions _Sample_condition_list.Details ; Temp.: 300K Buff.: 10mM deuterated Tris (pH6.8), 20mM KCl, 2mM DTT, 1mM NaN3 ; 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 pH 6.8 0.05 n/a 50405 1 temperature 300 0.3 K 50405 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50405 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version 'NMRviewJ implemented in NMRBox' _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking, analysis' 50405 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50405 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Scripps 900' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50405 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Scripps 750' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50405 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Scripps 500' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 50405 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name 'Scripps 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 50405 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name 'Scripps 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 50405 _Experiment_list.ID 1 _Experiment_list.Details ; 8 '2D 1H-13C HSQC' 'constant time' 9 '2D 1H-13C HSQC aromatic' 'constant time' ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 15N-HSQC yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 50405 1 2 '3D HNHA' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 50405 1 3 '3D HNHB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 50405 1 4 '3D H(CCO)NH-' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 50405 1 5 '3D HCCH-COSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 50405 1 6 '2D (HB)CB(CGCD)HD' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 50405 1 7 '3D 13C-separated NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 50405 1 8 '2D 1H-13C HSQC' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50405 1 9 '2D 1H-13C HSQC aromatic' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50405 1 10 '3D (H)CCH-TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 50405 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 15N-HSQC 500_NSQC.tar . 'Time-domain (raw spectral data)' . . 50405 1 2 '3D HNHA' 600_HNHA.tar . 'Time-domain (raw spectral data)' . . 50405 1 3 '3D HNHB' 600_HNHB.tar . 'Time-domain (raw spectral data)' . . 50405 1 4 '3D H(CCO)NH-' 600_HCCCONH-TOCSY.tar . 'Time-domain (raw spectral data)' . . 50405 1 5 '3D HCCH-COSY' 800_HCCH-COSY.tar . 'Time-domain (raw spectral data)' . . 50405 1 6 '2D (HB)CB(CGCD)HD' 600_CBCGCD.tar . 'Time-domain (raw spectral data)' . . 50405 1 7 '3D 13C-separated NOESY' 800_CSQC-NOESY.tar . 'Time-domain (raw spectral data)' . . 50405 1 8 '2D 1H-13C HSQC' 900_CSQC.tar . 'Time-domain (raw spectral data)' . . 50405 1 9 '2D 1H-13C HSQC aromatic' 900_CSQC_aro.tar . 'Time-domain (raw spectral data)' . . 50405 1 10 '3D (H)CCH-TOCSY' 600_HCCONH-TOCSY.tar . 'Time-domain (raw spectral data)' . . 50405 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 50405 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site UConn _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 50405 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chemical shift 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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50405 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50405 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50405 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 50405 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shift assignment one' _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'standard error' _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 15N-HSQC . . . 50405 1 8 '2D 1H-13C HSQC' . . . 50405 1 9 '2D 1H-13C HSQC aromatic' . . . 50405 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 . . 50405 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 2 2 SER HA H 1 4.43 0.01 . 1 . . . . . 318 SER HA . 50405 1 2 . 1 . 1 2 2 SER HB2 H 1 3.84 0.01 . 2 . . . . . 318 SER HB1 . 50405 1 3 . 1 . 1 2 2 SER CA C 13 57.82 0.05 . 1 . . . . . 318 SER CA . 50405 1 4 . 1 . 1 2 2 SER CB C 13 63.23 0.05 . 1 . . . . . 318 SER CB . 50405 1 5 . 1 . 1 3 3 GLU H H 1 8.58 0.01 . 1 . . . . . 319 GLU HN . 50405 1 6 . 1 . 1 3 3 GLU HA H 1 4.28 0.01 . 1 . . . . . 319 GLU HA . 50405 1 7 . 1 . 1 3 3 GLU HB2 H 1 2.00 0.01 . 2 . . . . . 319 GLU HB1 . 50405 1 8 . 1 . 1 3 3 GLU HB3 H 1 1.93 0.01 . 2 . . . . . 319 GLU HB2 . 50405 1 9 . 1 . 1 3 3 GLU HG2 H 1 2.28 0.01 . 2 . . . . . 319 GLU HG1 . 50405 1 10 . 1 . 1 3 3 GLU HG3 H 1 2.21 0.01 . 2 . . . . . 319 GLU HG2 . 50405 1 11 . 1 . 1 3 3 GLU CA C 13 55.99 0.05 . 1 . . . . . 319 GLU CA . 50405 1 12 . 1 . 1 3 3 GLU CB C 13 29.92 0.05 . 1 . . . . . 319 GLU CB . 50405 1 13 . 1 . 1 3 3 GLU CG C 13 35.86 0.05 . 1 . . . . . 319 GLU CG . 50405 1 14 . 1 . 1 3 3 GLU N N 15 123.50 0.05 . 1 . . . . . 319 GLU N . 50405 1 15 . 1 . 1 4 4 LYS H H 1 8.45 0.01 . 1 . . . . . 320 LYS HN . 50405 1 16 . 1 . 1 4 4 LYS HA H 1 4.28 0.01 . 1 . . . . . 320 LYS HA . 50405 1 17 . 1 . 1 4 4 LYS HB2 H 1 1.83 0.01 . 2 . . . . . 320 LYS HB1 . 50405 1 18 . 1 . 1 4 4 LYS HB3 H 1 1.75 0.01 . 2 . . . . . 320 LYS HB2 . 50405 1 19 . 1 . 1 4 4 LYS HG2 H 1 1.45 0.01 . 2 . . . . . 320 LYS HG1 . 50405 1 20 . 1 . 1 4 4 LYS HG3 H 1 1.37 0.01 . 2 . . . . . 320 LYS HG2 . 50405 1 21 . 1 . 1 4 4 LYS HD2 H 1 1.51 0.01 . 2 . . . . . 320 LYS HD1 . 50405 1 22 . 1 . 1 4 4 LYS HD3 H 1 1.46 0.01 . 2 . . . . . 320 LYS HD2 . 50405 1 23 . 1 . 1 4 4 LYS HE2 H 1 2.96 0.01 . 2 . . . . . 320 LYS HE1 . 50405 1 24 . 1 . 1 4 4 LYS CA C 13 55.76 0.05 . 1 . . . . . 320 LYS CA . 50405 1 25 . 1 . 1 4 4 LYS CB C 13 32.58 0.05 . 1 . . . . . 320 LYS CB . 50405 1 26 . 1 . 1 4 4 LYS CG C 13 24.52 0.05 . 1 . . . . . 320 LYS CG . 50405 1 27 . 1 . 1 4 4 LYS CD C 13 28.28 0.05 . 1 . . . . . 320 LYS CD . 50405 1 28 . 1 . 1 4 4 LYS N N 15 123.68 0.05 . 1 . . . . . 320 LYS N . 50405 1 29 . 1 . 1 5 5 ARG H H 1 8.34 0.01 . 1 . . . . . 321 ARG HN . 50405 1 30 . 1 . 1 5 5 ARG HA H 1 4.39 0.01 . 1 . . . . . 321 ARG HA . 50405 1 31 . 1 . 1 5 5 ARG HB2 H 1 1.47 0.01 . 2 . . . . . 321 ARG HB1 . 50405 1 32 . 1 . 1 5 5 ARG HB3 H 1 1.22 0.01 . 2 . . . . . 321 ARG HB2 . 50405 1 33 . 1 . 1 5 5 ARG HG2 H 1 1.16 0.01 . 2 . . . . . 321 ARG HG1 . 50405 1 34 . 1 . 1 5 5 ARG HG3 H 1 0.56 0.01 . 2 . . . . . 321 ARG HG2 . 50405 1 35 . 1 . 1 5 5 ARG CA C 13 52.88 0.05 . 1 . . . . . 321 ARG CA . 50405 1 36 . 1 . 1 5 5 ARG CB C 13 30.50 0.05 . 1 . . . . . 321 ARG CB . 50405 1 37 . 1 . 1 5 5 ARG N N 15 122.59 0.05 . 1 . . . . . 321 ARG N . 50405 1 38 . 1 . 1 6 6 PRO HA H 1 4.18 0.01 . 1 . . . . . 322 PRO HA . 50405 1 39 . 1 . 1 6 6 PRO HB2 H 1 1.84 0.01 . 2 . . . . . 322 PRO HB1 . 50405 1 40 . 1 . 1 6 6 PRO HB3 H 1 1.10 0.01 . 2 . . . . . 322 PRO HB2 . 50405 1 41 . 1 . 1 6 6 PRO HG2 H 1 1.79 0.01 . 2 . . . . . 322 PRO HG1 . 50405 1 42 . 1 . 1 6 6 PRO HG3 H 1 1.64 0.01 . 2 . . . . . 322 PRO HG2 . 50405 1 43 . 1 . 1 6 6 PRO HD2 H 1 4.00 0.01 . 2 . . . . . 322 PRO HD1 . 50405 1 44 . 1 . 1 6 6 PRO HD3 H 1 3.74 0.01 . 2 . . . . . 322 PRO HD2 . 50405 1 45 . 1 . 1 6 6 PRO CA C 13 62.92 0.05 . 1 . . . . . 322 PRO CA . 50405 1 46 . 1 . 1 6 6 PRO CB C 13 31.91 0.05 . 1 . . . . . 322 PRO CB . 50405 1 47 . 1 . 1 6 6 PRO CG C 13 26.27 0.05 . 1 . . . . . 322 PRO CG . 50405 1 48 . 1 . 1 6 6 PRO CD C 13 50.49 0.05 . 1 . . . . . 322 PRO CD . 50405 1 49 . 1 . 1 7 7 PHE H H 1 7.94 0.01 . 1 . . . . . 323 PHE HN . 50405 1 50 . 1 . 1 7 7 PHE HA H 1 4.68 0.01 . 1 . . . . . 323 PHE HA . 50405 1 51 . 1 . 1 7 7 PHE HB2 H 1 3.05 0.01 . 2 . . . . . 323 PHE HB1 . 50405 1 52 . 1 . 1 7 7 PHE HB3 H 1 2.78 0.01 . 2 . . . . . 323 PHE HB2 . 50405 1 53 . 1 . 1 7 7 PHE CA C 13 56.97 0.05 . 1 . . . . . 323 PHE CA . 50405 1 54 . 1 . 1 7 7 PHE CB C 13 39.00 0.05 . 1 . . . . . 323 PHE CB . 50405 1 55 . 1 . 1 7 7 PHE N N 15 117.48 0.05 . 1 . . . . . 323 PHE N . 50405 1 56 . 1 . 1 8 8 MET H H 1 8.73 0.01 . 1 . . . . . 324 MET HN . 50405 1 57 . 1 . 1 8 8 MET HA H 1 4.95 0.01 . 1 . . . . . 324 MET HA . 50405 1 58 . 1 . 1 8 8 MET HB2 H 1 2.02 0.01 . 2 . . . . . 324 MET HB1 . 50405 1 59 . 1 . 1 8 8 MET HB3 H 1 1.80 0.01 . 2 . . . . . 324 MET HB2 . 50405 1 60 . 1 . 1 8 8 MET HG2 H 1 2.51 0.01 . 2 . . . . . 324 MET HG1 . 50405 1 61 . 1 . 1 8 8 MET HG3 H 1 2.31 0.01 . 2 . . . . . 324 MET HG2 . 50405 1 62 . 1 . 1 8 8 MET CA C 13 53.91 0.05 . 1 . . . . . 324 MET CA . 50405 1 63 . 1 . 1 8 8 MET CB C 13 34.98 0.05 . 1 . . . . . 324 MET CB . 50405 1 64 . 1 . 1 8 8 MET CG C 13 30.82 0.05 . 1 . . . . . 324 MET CG . 50405 1 65 . 1 . 1 8 8 MET N N 15 124.14 0.05 . 1 . . . . . 324 MET N . 50405 1 66 . 1 . 1 9 9 CYS H H 1 8.73 0.01 . 1 . . . . . 325 CYS HN . 50405 1 67 . 1 . 1 9 9 CYS HA H 1 4.34 0.01 . 1 . . . . . 325 CYS HA . 50405 1 68 . 1 . 1 9 9 CYS HB2 H 1 3.20 0.01 . 2 . . . . . 325 CYS HB1 . 50405 1 69 . 1 . 1 9 9 CYS HB3 H 1 2.85 0.01 . 2 . . . . . 325 CYS HB2 . 50405 1 70 . 1 . 1 9 9 CYS CA C 13 60.85 0.05 . 1 . . . . . 325 CYS CA . 50405 1 71 . 1 . 1 9 9 CYS CB C 13 29.54 0.05 . 1 . . . . . 325 CYS CB . 50405 1 72 . 1 . 1 9 9 CYS N N 15 127.48 0.05 . 1 . . . . . 325 CYS N . 50405 1 73 . 1 . 1 10 10 ALA H H 1 8.81 0.01 . 1 . . . . . 326 ALA HN . 50405 1 74 . 1 . 1 10 10 ALA HA H 1 4.57 0.01 . 1 . . . . . 326 ALA HA . 50405 1 75 . 1 . 1 10 10 ALA HB1 H 1 1.51 0.01 . 1 . . . . . 326 ALA HB1 . 50405 1 76 . 1 . 1 10 10 ALA HB2 H 1 1.51 0.01 . 1 . . . . . 326 ALA HB1 . 50405 1 77 . 1 . 1 10 10 ALA HB3 H 1 1.51 0.01 . 1 . . . . . 326 ALA HB1 . 50405 1 78 . 1 . 1 10 10 ALA CA C 13 51.50 0.05 . 1 . . . . . 326 ALA CA . 50405 1 79 . 1 . 1 10 10 ALA CB C 13 19.02 0.05 . 1 . . . . . 326 ALA CB . 50405 1 80 . 1 . 1 10 10 ALA N N 15 131.96 0.05 . 1 . . . . . 326 ALA N . 50405 1 81 . 1 . 1 11 11 TYR H H 1 9.14 0.01 . 1 . . . . . 327 TYR HN . 50405 1 82 . 1 . 1 11 11 TYR HA H 1 4.33 0.01 . 1 . . . . . 327 TYR HA . 50405 1 83 . 1 . 1 11 11 TYR HB2 H 1 2.57 0.01 . 2 . . . . . 327 TYR HB1 . 50405 1 84 . 1 . 1 11 11 TYR HB3 H 1 2.38 0.01 . 2 . . . . . 327 TYR HB2 . 50405 1 85 . 1 . 1 11 11 TYR HD1 H 1 6.74 0.01 . 3 . . . . . 327 TYR HD . 50405 1 86 . 1 . 1 11 11 TYR HD2 H 1 6.74 0.01 . 3 . . . . . 327 TYR HD . 50405 1 87 . 1 . 1 11 11 TYR HE1 H 1 6.68 0.01 . 3 . . . . . 327 TYR HE . 50405 1 88 . 1 . 1 11 11 TYR HE2 H 1 6.68 0.01 . 3 . . . . . 327 TYR HE . 50405 1 89 . 1 . 1 11 11 TYR CA C 13 57.86 0.05 . 1 . . . . . 327 TYR CA . 50405 1 90 . 1 . 1 11 11 TYR CB C 13 38.75 0.05 . 1 . . . . . 327 TYR CB . 50405 1 91 . 1 . 1 11 11 TYR CD1 C 13 132.38 0.05 . 3 . . . . . 327 TYR CD . 50405 1 92 . 1 . 1 11 11 TYR CD2 C 13 132.38 0.05 . 3 . . . . . 327 TYR CD . 50405 1 93 . 1 . 1 11 11 TYR CE1 C 13 117.66 0.05 . 3 . . . . . 327 TYR CE . 50405 1 94 . 1 . 1 11 11 TYR CE2 C 13 117.66 0.05 . 3 . . . . . 327 TYR CE . 50405 1 95 . 1 . 1 11 11 TYR N N 15 128.62 0.05 . 1 . . . . . 327 TYR N . 50405 1 96 . 1 . 1 12 12 PRO HA H 1 4.12 0.01 . 1 . . . . . 328 PRO HA . 50405 1 97 . 1 . 1 12 12 PRO HB2 H 1 2.08 0.01 . 2 . . . . . 328 PRO HB1 . 50405 1 98 . 1 . 1 12 12 PRO HB3 H 1 1.67 0.01 . 2 . . . . . 328 PRO HB2 . 50405 1 99 . 1 . 1 12 12 PRO HG2 H 1 1.71 0.01 . 2 . . . . . 328 PRO HG1 . 50405 1 100 . 1 . 1 12 12 PRO HG3 H 1 1.67 0.01 . 2 . . . . . 328 PRO HG2 . 50405 1 101 . 1 . 1 12 12 PRO HD2 H 1 3.48 0.01 . 2 . . . . . 328 PRO HD1 . 50405 1 102 . 1 . 1 12 12 PRO HD3 H 1 2.09 0.01 . 2 . . . . . 328 PRO HD2 . 50405 1 103 . 1 . 1 12 12 PRO CA C 13 63.96 0.05 . 1 . . . . . 328 PRO CA . 50405 1 104 . 1 . 1 12 12 PRO CB C 13 30.87 0.05 . 1 . . . . . 328 PRO CB . 50405 1 105 . 1 . 1 12 12 PRO CG C 13 27.20 0.05 . 1 . . . . . 328 PRO CG . 50405 1 106 . 1 . 1 12 12 PRO CD C 13 49.90 0.05 . 1 . . . . . 328 PRO CD . 50405 1 107 . 1 . 1 13 13 GLY H H 1 8.82 0.01 . 1 . . . . . 329 GLY HN . 50405 1 108 . 1 . 1 13 13 GLY HA2 H 1 4.14 0.01 . 2 . . . . . 329 GLY HA1 . 50405 1 109 . 1 . 1 13 13 GLY HA3 H 1 3.68 0.01 . 2 . . . . . 329 GLY HA2 . 50405 1 110 . 1 . 1 13 13 GLY CA C 13 44.95 0.05 . 1 . . . . . 329 GLY CA . 50405 1 111 . 1 . 1 13 13 GLY N N 15 112.66 0.05 . 1 . . . . . 329 GLY N . 50405 1 112 . 1 . 1 14 14 CYS H H 1 8.08 0.01 . 1 . . . . . 330 CYS HN . 50405 1 113 . 1 . 1 14 14 CYS HA H 1 4.49 0.01 . 1 . . . . . 330 CYS HA . 50405 1 114 . 1 . 1 14 14 CYS HB2 H 1 3.34 0.01 . 2 . . . . . 330 CYS HB1 . 50405 1 115 . 1 . 1 14 14 CYS HB3 H 1 2.87 0.01 . 2 . . . . . 330 CYS HB2 . 50405 1 116 . 1 . 1 14 14 CYS CA C 13 60.85 0.05 . 1 . . . . . 330 CYS CA . 50405 1 117 . 1 . 1 14 14 CYS CB C 13 29.83 0.05 . 1 . . . . . 330 CYS CB . 50405 1 118 . 1 . 1 14 14 CYS N N 15 123.44 0.05 . 1 . . . . . 330 CYS N . 50405 1 119 . 1 . 1 15 15 ASN H H 1 8.70 0.01 . 1 . . . . . 331 ASN HN . 50405 1 120 . 1 . 1 15 15 ASN HA H 1 4.71 0.01 . 1 . . . . . 331 ASN HA . 50405 1 121 . 1 . 1 15 15 ASN HB2 H 1 2.93 0.01 . 2 . . . . . 331 ASN HB1 . 50405 1 122 . 1 . 1 15 15 ASN CA C 13 53.26 0.05 . 1 . . . . . 331 ASN CA . 50405 1 123 . 1 . 1 15 15 ASN CB C 13 37.85 0.05 . 1 . . . . . 331 ASN CB . 50405 1 124 . 1 . 1 15 15 ASN N N 15 115.14 0.05 . 1 . . . . . 331 ASN N . 50405 1 125 . 1 . 1 16 16 LYS H H 1 8.06 0.01 . 1 . . . . . 332 LYS HN . 50405 1 126 . 1 . 1 16 16 LYS HA H 1 4.00 0.01 . 1 . . . . . 332 LYS HA . 50405 1 127 . 1 . 1 16 16 LYS HB2 H 1 1.42 0.01 . 2 . . . . . 332 LYS HB1 . 50405 1 128 . 1 . 1 16 16 LYS HB3 H 1 1.32 0.01 . 2 . . . . . 332 LYS HB2 . 50405 1 129 . 1 . 1 16 16 LYS HG2 H 1 1.53 0.01 . 2 . . . . . 332 LYS HG1 . 50405 1 130 . 1 . 1 16 16 LYS HG3 H 1 1.15 0.01 . 2 . . . . . 332 LYS HG2 . 50405 1 131 . 1 . 1 16 16 LYS HD2 H 1 1.65 0.01 . 2 . . . . . 332 LYS HD1 . 50405 1 132 . 1 . 1 16 16 LYS HE2 H 1 2.97 0.01 . 2 . . . . . 332 LYS HE1 . 50405 1 133 . 1 . 1 16 16 LYS CA C 13 57.26 0.05 . 1 . . . . . 332 LYS CA . 50405 1 134 . 1 . 1 16 16 LYS CB C 13 32.58 0.05 . 1 . . . . . 332 LYS CB . 50405 1 135 . 1 . 1 16 16 LYS CG C 13 25.24 0.05 . 1 . . . . . 332 LYS CG . 50405 1 136 . 1 . 1 16 16 LYS CD C 13 27.8 0.1 . 1 . . . . . 332 LYS CD . 50405 1 137 . 1 . 1 16 16 LYS CE C 13 41.8 0.1 . 1 . . . . . 332 LYS CE . 50405 1 138 . 1 . 1 16 16 LYS N N 15 121.59 0.05 . 1 . . . . . 332 LYS N . 50405 1 139 . 1 . 1 17 17 ARG H H 1 7.67 0.01 . 1 . . . . . 333 ARG HN . 50405 1 140 . 1 . 1 17 17 ARG HA H 1 5.14 0.01 . 1 . . . . . 333 ARG HA . 50405 1 141 . 1 . 1 17 17 ARG HB2 H 1 1.59 0.01 . 2 . . . . . 333 ARG HB1 . 50405 1 142 . 1 . 1 17 17 ARG HB3 H 1 1.31 0.01 . 2 . . . . . 333 ARG HB2 . 50405 1 143 . 1 . 1 17 17 ARG HG2 H 1 1.53 0.01 . 2 . . . . . 333 ARG HG1 . 50405 1 144 . 1 . 1 17 17 ARG HD2 H 1 3.13 0.01 . 2 . . . . . 333 ARG HD1 . 50405 1 145 . 1 . 1 17 17 ARG HD3 H 1 3.07 0.01 . 2 . . . . . 333 ARG HD2 . 50405 1 146 . 1 . 1 17 17 ARG CA C 13 53.87 0.05 . 1 . . . . . 333 ARG CA . 50405 1 147 . 1 . 1 17 17 ARG CB C 13 33.65 0.05 . 1 . . . . . 333 ARG CB . 50405 1 148 . 1 . 1 17 17 ARG CG C 13 26.8 0.1 . 1 . . . . . 333 ARG CG . 50405 1 149 . 1 . 1 17 17 ARG CD C 13 43.1 0.1 . 1 . . . . . 333 ARG CD . 50405 1 150 . 1 . 1 17 17 ARG N N 15 117.99 0.05 . 1 . . . . . 333 ARG N . 50405 1 151 . 1 . 1 18 18 TYR H H 1 8.74 0.01 . 1 . . . . . 334 TYR HN . 50405 1 152 . 1 . 1 18 18 TYR HA H 1 4.67 0.01 . 1 . . . . . 334 TYR HA . 50405 1 153 . 1 . 1 18 18 TYR HB2 H 1 3.57 0.01 . 2 . . . . . 334 TYR HB1 . 50405 1 154 . 1 . 1 18 18 TYR HB3 H 1 2.54 0.01 . 2 . . . . . 334 TYR HB2 . 50405 1 155 . 1 . 1 18 18 TYR HD1 H 1 7.09 0.01 . 3 . . . . . 334 TYR HD . 50405 1 156 . 1 . 1 18 18 TYR HD2 H 1 7.09 0.01 . 3 . . . . . 334 TYR HD . 50405 1 157 . 1 . 1 18 18 TYR HE1 H 1 6.34 0.01 . 3 . . . . . 334 TYR HE . 50405 1 158 . 1 . 1 18 18 TYR HE2 H 1 6.34 0.01 . 3 . . . . . 334 TYR HE . 50405 1 159 . 1 . 1 18 18 TYR CA C 13 57.56 0.05 . 1 . . . . . 334 TYR CA . 50405 1 160 . 1 . 1 18 18 TYR CB C 13 43.83 0.05 . 1 . . . . . 334 TYR CB . 50405 1 161 . 1 . 1 18 18 TYR CD1 C 13 132.37 0.05 . 3 . . . . . 334 TYR CD . 50405 1 162 . 1 . 1 18 18 TYR CD2 C 13 132.37 0.05 . 3 . . . . . 334 TYR CD . 50405 1 163 . 1 . 1 18 18 TYR CE1 C 13 117.64 0.05 . 3 . . . . . 334 TYR CE . 50405 1 164 . 1 . 1 18 18 TYR CE2 C 13 117.64 0.05 . 3 . . . . . 334 TYR CE . 50405 1 165 . 1 . 1 18 18 TYR N N 15 117.55 0.05 . 1 . . . . . 334 TYR N . 50405 1 166 . 1 . 1 19 19 PHE H H 1 9.69 0.01 . 1 . . . . . 335 PHE HN . 50405 1 167 . 1 . 1 19 19 PHE HA H 1 4.81 0.01 . 1 . . . . . 335 PHE HA . 50405 1 168 . 1 . 1 19 19 PHE HB2 H 1 3.42 0.01 . 2 . . . . . 335 PHE HB1 . 50405 1 169 . 1 . 1 19 19 PHE HB3 H 1 3.18 0.01 . 2 . . . . . 335 PHE HB2 . 50405 1 170 . 1 . 1 19 19 PHE HD1 H 1 7.47 0.01 . 3 . . . . . 335 PHE HD . 50405 1 171 . 1 . 1 19 19 PHE HD2 H 1 7.47 0.01 . 3 . . . . . 335 PHE HD . 50405 1 172 . 1 . 1 19 19 PHE HE1 H 1 7.33 0.01 . 3 . . . . . 335 PHE HE . 50405 1 173 . 1 . 1 19 19 PHE HE2 H 1 7.33 0.01 . 3 . . . . . 335 PHE HE . 50405 1 174 . 1 . 1 19 19 PHE CA C 13 59.89 0.05 . 1 . . . . . 335 PHE CA . 50405 1 175 . 1 . 1 19 19 PHE CB C 13 40.02 0.05 . 1 . . . . . 335 PHE CB . 50405 1 176 . 1 . 1 19 19 PHE CD1 C 13 131.21 0.05 . 3 . . . . . 335 PHE CD . 50405 1 177 . 1 . 1 19 19 PHE CD2 C 13 131.21 0.05 . 3 . . . . . 335 PHE CD . 50405 1 178 . 1 . 1 19 19 PHE CE1 C 13 131.13 0.05 . 3 . . . . . 335 PHE CE . 50405 1 179 . 1 . 1 19 19 PHE CE2 C 13 131.13 0.05 . 3 . . . . . 335 PHE CE . 50405 1 180 . 1 . 1 19 19 PHE N N 15 118.78 0.05 . 1 . . . . . 335 PHE N . 50405 1 181 . 1 . 1 20 20 LYS H H 1 7.25 0.01 . 1 . . . . . 336 LYS HN . 50405 1 182 . 1 . 1 20 20 LYS HA H 1 4.65 0.01 . 1 . . . . . 336 LYS HA . 50405 1 183 . 1 . 1 20 20 LYS HB2 H 1 1.55 0.01 . 2 . . . . . 336 LYS HB1 . 50405 1 184 . 1 . 1 20 20 LYS HB3 H 1 0.81 0.01 . 2 . . . . . 336 LYS HB2 . 50405 1 185 . 1 . 1 20 20 LYS HG2 H 1 1.26 0.01 . 2 . . . . . 336 LYS HG1 . 50405 1 186 . 1 . 1 20 20 LYS HD2 H 1 1.50 0.01 . 2 . . . . . 336 LYS HD1 . 50405 1 187 . 1 . 1 20 20 LYS HD3 H 1 1.39 0.01 . 2 . . . . . 336 LYS HD2 . 50405 1 188 . 1 . 1 20 20 LYS HE2 H 1 2.92 0.01 . 2 . . . . . 336 LYS HE1 . 50405 1 189 . 1 . 1 20 20 LYS CA C 13 53.76 0.05 . 1 . . . . . 336 LYS CA . 50405 1 190 . 1 . 1 20 20 LYS CB C 13 35.18 0.05 . 1 . . . . . 336 LYS CB . 50405 1 191 . 1 . 1 20 20 LYS CG C 13 24.67 0.05 . 1 . . . . . 336 LYS CG . 50405 1 192 . 1 . 1 20 20 LYS CD C 13 28.54 0.05 . 1 . . . . . 336 LYS CD . 50405 1 193 . 1 . 1 20 20 LYS CE C 13 41.5 0.1 . 1 . . . . . 336 LYS CE . 50405 1 194 . 1 . 1 20 20 LYS N N 15 115.07 0.05 . 1 . . . . . 336 LYS N . 50405 1 195 . 1 . 1 21 21 LEU H H 1 8.35 0.01 . 1 . . . . . 337 LEU HN . 50405 1 196 . 1 . 1 21 21 LEU HA H 1 3.17 0.01 . 1 . . . . . 337 LEU HA . 50405 1 197 . 1 . 1 21 21 LEU HB2 H 1 1.36 0.01 . 2 . . . . . 337 LEU HB1 . 50405 1 198 . 1 . 1 21 21 LEU HB3 H 1 0.80 0.01 . 2 . . . . . 337 LEU HB2 . 50405 1 199 . 1 . 1 21 21 LEU HG H 1 1.10 0.01 . 1 . . . . . 337 LEU HG . 50405 1 200 . 1 . 1 21 21 LEU HD11 H 1 0.72 0.01 . 2 . . . . . 337 LEU HD1 . 50405 1 201 . 1 . 1 21 21 LEU HD12 H 1 0.72 0.01 . 2 . . . . . 337 LEU HD1 . 50405 1 202 . 1 . 1 21 21 LEU HD13 H 1 0.72 0.01 . 2 . . . . . 337 LEU HD1 . 50405 1 203 . 1 . 1 21 21 LEU HD21 H 1 0.75 0.01 . 2 . . . . . 337 LEU HD2 . 50405 1 204 . 1 . 1 21 21 LEU HD22 H 1 0.75 0.01 . 2 . . . . . 337 LEU HD2 . 50405 1 205 . 1 . 1 21 21 LEU HD23 H 1 0.75 0.01 . 2 . . . . . 337 LEU HD2 . 50405 1 206 . 1 . 1 21 21 LEU CA C 13 57.22 0.05 . 1 . . . . . 337 LEU CA . 50405 1 207 . 1 . 1 21 21 LEU CB C 13 40.25 0.05 . 1 . . . . . 337 LEU CB . 50405 1 208 . 1 . 1 21 21 LEU CG C 13 26.21 0.05 . 1 . . . . . 337 LEU CG . 50405 1 209 . 1 . 1 21 21 LEU CD1 C 13 24.84 0.05 . 2 . . . . . 337 LEU CD1 . 50405 1 210 . 1 . 1 21 21 LEU CD2 C 13 22.23 0.05 . 2 . . . . . 337 LEU CD2 . 50405 1 211 . 1 . 1 21 21 LEU N N 15 127.67 0.05 . 1 . . . . . 337 LEU N . 50405 1 212 . 1 . 1 22 22 SER H H 1 8.47 0.01 . 1 . . . . . 338 SER HN . 50405 1 213 . 1 . 1 22 22 SER HA H 1 4.10 0.01 . 1 . . . . . 338 SER HA . 50405 1 214 . 1 . 1 22 22 SER HB2 H 1 3.85 0.01 . 2 . . . . . 338 SER HB1 . 50405 1 215 . 1 . 1 22 22 SER HB3 H 1 3.77 0.01 . 2 . . . . . 338 SER HB2 . 50405 1 216 . 1 . 1 22 22 SER CA C 13 60.35 0.05 . 1 . . . . . 338 SER CA . 50405 1 217 . 1 . 1 22 22 SER CB C 13 60.98 0.05 . 1 . . . . . 338 SER CB . 50405 1 218 . 1 . 1 22 22 SER N N 15 113.10 0.05 . 1 . . . . . 338 SER N . 50405 1 219 . 1 . 1 23 23 HIS H H 1 6.68 0.01 . 1 . . . . . 339 HIS HN . 50405 1 220 . 1 . 1 23 23 HIS HA H 1 4.40 0.01 . 1 . . . . . 339 HIS HA . 50405 1 221 . 1 . 1 23 23 HIS HB2 H 1 3.32 0.01 . 2 . . . . . 339 HIS HB1 . 50405 1 222 . 1 . 1 23 23 HIS HB3 H 1 3.07 0.01 . 2 . . . . . 339 HIS HB2 . 50405 1 223 . 1 . 1 23 23 HIS HD2 H 1 6.90 0.01 . 1 . . . . . 339 HIS HD2 . 50405 1 224 . 1 . 1 23 23 HIS HE1 H 1 7.75 0.01 . 1 . . . . . 339 HIS HE1 . 50405 1 225 . 1 . 1 23 23 HIS CA C 13 56.55 0.05 . 1 . . . . . 339 HIS CA . 50405 1 226 . 1 . 1 23 23 HIS CB C 13 31.30 0.05 . 1 . . . . . 339 HIS CB . 50405 1 227 . 1 . 1 23 23 HIS CD2 C 13 116.61 0.05 . 1 . . . . . 339 HIS CD2 . 50405 1 228 . 1 . 1 23 23 HIS CE1 C 13 137.65 0.05 . 1 . . . . . 339 HIS CE1 . 50405 1 229 . 1 . 1 23 23 HIS N N 15 121.18 0.05 . 1 . . . . . 339 HIS N . 50405 1 230 . 1 . 1 24 24 LEU H H 1 7.16 0.01 . 1 . . . . . 340 LEU HN . 50405 1 231 . 1 . 1 24 24 LEU HA H 1 3.65 0.01 . 1 . . . . . 340 LEU HA . 50405 1 232 . 1 . 1 24 24 LEU HB2 H 1 2.08 0.01 . 2 . . . . . 340 LEU HB1 . 50405 1 233 . 1 . 1 24 24 LEU HB3 H 1 1.36 0.01 . 2 . . . . . 340 LEU HB2 . 50405 1 234 . 1 . 1 24 24 LEU HG H 1 1.67 0.01 . 1 . . . . . 340 LEU HG . 50405 1 235 . 1 . 1 24 24 LEU HD11 H 1 1.01 0.01 . 2 . . . . . 340 LEU HD1 . 50405 1 236 . 1 . 1 24 24 LEU HD12 H 1 1.01 0.01 . 2 . . . . . 340 LEU HD1 . 50405 1 237 . 1 . 1 24 24 LEU HD13 H 1 1.01 0.01 . 2 . . . . . 340 LEU HD1 . 50405 1 238 . 1 . 1 24 24 LEU HD21 H 1 1.10 0.01 . 2 . . . . . 340 LEU HD2 . 50405 1 239 . 1 . 1 24 24 LEU HD22 H 1 1.10 0.01 . 2 . . . . . 340 LEU HD2 . 50405 1 240 . 1 . 1 24 24 LEU HD23 H 1 1.10 0.01 . 2 . . . . . 340 LEU HD2 . 50405 1 241 . 1 . 1 24 24 LEU CA C 13 57.38 0.05 . 1 . . . . . 340 LEU CA . 50405 1 242 . 1 . 1 24 24 LEU CB C 13 39.96 0.05 . 1 . . . . . 340 LEU CB . 50405 1 243 . 1 . 1 24 24 LEU CG C 13 27.1 0.1 . 1 . . . . . 340 LEU CG . 50405 1 244 . 1 . 1 24 24 LEU CD1 C 13 26.01 0.05 . 2 . . . . . 340 LEU CD1 . 50405 1 245 . 1 . 1 24 24 LEU CD2 C 13 22.21 0.05 . 2 . . . . . 340 LEU CD2 . 50405 1 246 . 1 . 1 24 24 LEU N N 15 121.82 0.05 . 1 . . . . . 340 LEU N . 50405 1 247 . 1 . 1 25 25 GLN H H 1 8.63 0.01 . 1 . . . . . 341 GLN HN . 50405 1 248 . 1 . 1 25 25 GLN HA H 1 3.96 0.01 . 1 . . . . . 341 GLN HA . 50405 1 249 . 1 . 1 25 25 GLN HB2 H 1 2.14 0.01 . 2 . . . . . 341 GLN HB1 . 50405 1 250 . 1 . 1 25 25 GLN HB3 H 1 1.92 0.01 . 2 . . . . . 341 GLN HB2 . 50405 1 251 . 1 . 1 25 25 GLN HG2 H 1 2.35 0.01 . 2 . . . . . 341 GLN HG1 . 50405 1 252 . 1 . 1 25 25 GLN HG3 H 1 2.31 0.01 . 2 . . . . . 341 GLN HG2 . 50405 1 253 . 1 . 1 25 25 GLN CA C 13 58.88 0.05 . 1 . . . . . 341 GLN CA . 50405 1 254 . 1 . 1 25 25 GLN CB C 13 27.38 0.05 . 1 . . . . . 341 GLN CB . 50405 1 255 . 1 . 1 25 25 GLN CG C 13 33.79 0.05 . 1 . . . . . 341 GLN CG . 50405 1 256 . 1 . 1 25 25 GLN N N 15 119.23 0.05 . 1 . . . . . 341 GLN N . 50405 1 257 . 1 . 1 26 26 MET H H 1 7.73 0.01 . 1 . . . . . 342 MET HN . 50405 1 258 . 1 . 1 26 26 MET HA H 1 4.13 0.01 . 1 . . . . . 342 MET HA . 50405 1 259 . 1 . 1 26 26 MET HB2 H 1 2.12 0.01 . 2 . . . . . 342 MET HB1 . 50405 1 260 . 1 . 1 26 26 MET HB3 H 1 2.06 0.01 . 2 . . . . . 342 MET HB2 . 50405 1 261 . 1 . 1 26 26 MET HG2 H 1 2.66 0.01 . 2 . . . . . 342 MET HG1 . 50405 1 262 . 1 . 1 26 26 MET HG3 H 1 2.60 0.01 . 2 . . . . . 342 MET HG2 . 50405 1 263 . 1 . 1 26 26 MET CA C 13 57.89 0.05 . 1 . . . . . 342 MET CA . 50405 1 264 . 1 . 1 26 26 MET CB C 13 32.01 0.05 . 1 . . . . . 342 MET CB . 50405 1 265 . 1 . 1 26 26 MET CG C 13 31.62 0.05 . 1 . . . . . 342 MET CG . 50405 1 266 . 1 . 1 26 26 MET N N 15 117.86 0.05 . 1 . . . . . 342 MET N . 50405 1 267 . 1 . 1 27 27 HIS H H 1 7.61 0.01 . 1 . . . . . 343 HIS HN . 50405 1 268 . 1 . 1 27 27 HIS HA H 1 4.20 0.01 . 1 . . . . . 343 HIS HA . 50405 1 269 . 1 . 1 27 27 HIS HB2 H 1 3.23 0.01 . 2 . . . . . 343 HIS HB1 . 50405 1 270 . 1 . 1 27 27 HIS HB3 H 1 3.11 0.01 . 2 . . . . . 343 HIS HB2 . 50405 1 271 . 1 . 1 27 27 HIS HD2 H 1 7.00 0.01 . 1 . . . . . 343 HIS HD2 . 50405 1 272 . 1 . 1 27 27 HIS HE1 H 1 7.88 0.01 . 1 . . . . . 343 HIS HE1 . 50405 1 273 . 1 . 1 27 27 HIS CA C 13 58.82 0.05 . 1 . . . . . 343 HIS CA . 50405 1 274 . 1 . 1 27 27 HIS CB C 13 27.70 0.05 . 1 . . . . . 343 HIS CB . 50405 1 275 . 1 . 1 27 27 HIS CD2 C 13 126.07 0.05 . 1 . . . . . 343 HIS CD2 . 50405 1 276 . 1 . 1 27 27 HIS CE1 C 13 137.76 0.05 . 1 . . . . . 343 HIS CE1 . 50405 1 277 . 1 . 1 27 27 HIS N N 15 119.81 0.05 . 1 . . . . . 343 HIS N . 50405 1 278 . 1 . 1 28 28 SER H H 1 8.79 0.01 . 1 . . . . . 344 SER HN . 50405 1 279 . 1 . 1 28 28 SER HA H 1 3.82 0.01 . 1 . . . . . 344 SER HA . 50405 1 280 . 1 . 1 28 28 SER HB2 H 1 4.09 0.01 . 2 . . . . . 344 SER HB1 . 50405 1 281 . 1 . 1 28 28 SER HB3 H 1 4.06 0.01 . 2 . . . . . 344 SER HB2 . 50405 1 282 . 1 . 1 28 28 SER CA C 13 61.79 0.05 . 1 . . . . . 344 SER CA . 50405 1 283 . 1 . 1 28 28 SER CB C 13 62.63 0.05 . 1 . . . . . 344 SER CB . 50405 1 284 . 1 . 1 28 28 SER N N 15 113.54 0.05 . 1 . . . . . 344 SER N . 50405 1 285 . 1 . 1 29 29 ARG H H 1 7.09 0.01 . 1 . . . . . 345 ARG HN . 50405 1 286 . 1 . 1 29 29 ARG HA H 1 4.08 0.01 . 1 . . . . . 345 ARG HA . 50405 1 287 . 1 . 1 29 29 ARG HB2 H 1 1.87 0.01 . 2 . . . . . 345 ARG HB1 . 50405 1 288 . 1 . 1 29 29 ARG HB3 H 1 1.76 0.01 . 2 . . . . . 345 ARG HB2 . 50405 1 289 . 1 . 1 29 29 ARG HG2 H 1 1.69 0.01 . 2 . . . . . 345 ARG HG1 . 50405 1 290 . 1 . 1 29 29 ARG HD2 H 1 3.20 0.01 . 2 . . . . . 345 ARG HD1 . 50405 1 291 . 1 . 1 29 29 ARG CA C 13 57.47 0.05 . 1 . . . . . 345 ARG CA . 50405 1 292 . 1 . 1 29 29 ARG CB C 13 29.60 0.05 . 1 . . . . . 345 ARG CB . 50405 1 293 . 1 . 1 29 29 ARG CG C 13 26.6 0.1 . 1 . . . . . 345 ARG CG . 50405 1 294 . 1 . 1 29 29 ARG CD C 13 43.1 0.1 . 1 . . . . . 345 ARG CD . 50405 1 295 . 1 . 1 29 29 ARG N N 15 119.70 0.05 . 1 . . . . . 345 ARG N . 50405 1 296 . 1 . 1 30 30 LYS H H 1 7.80 0.01 . 1 . . . . . 346 LYS HN . 50405 1 297 . 1 . 1 30 30 LYS HA H 1 3.96 0.01 . 1 . . . . . 346 LYS HA . 50405 1 298 . 1 . 1 30 30 LYS HB2 H 1 1.42 0.01 . 2 . . . . . 346 LYS HB1 . 50405 1 299 . 1 . 1 30 30 LYS HG2 H 1 1.30 0.01 . 2 . . . . . 346 LYS HG1 . 50405 1 300 . 1 . 1 30 30 LYS HG3 H 1 1.21 0.01 . 2 . . . . . 346 LYS HG2 . 50405 1 301 . 1 . 1 30 30 LYS HD2 H 1 1.34 0.01 . 2 . . . . . 346 LYS HD1 . 50405 1 302 . 1 . 1 30 30 LYS HD3 H 1 1.45 0.01 . 2 . . . . . 346 LYS HD2 . 50405 1 303 . 1 . 1 30 30 LYS HE2 H 1 2.92 0.01 . 2 . . . . . 346 LYS HE . 50405 1 304 . 1 . 1 30 30 LYS HE3 H 1 2.92 0.01 . 2 . . . . . 346 LYS HE . 50405 1 305 . 1 . 1 30 30 LYS CA C 13 57.03 0.05 . 1 . . . . . 346 LYS CA . 50405 1 306 . 1 . 1 30 30 LYS CB C 13 31.21 0.05 . 1 . . . . . 346 LYS CB . 50405 1 307 . 1 . 1 30 30 LYS CG C 13 24.68 0.05 . 1 . . . . . 346 LYS CG . 50405 1 308 . 1 . 1 30 30 LYS CD C 13 28.3 0.1 . 1 . . . . . 346 LYS CD . 50405 1 309 . 1 . 1 30 30 LYS CE C 13 41.6 0.1 . 1 . . . . . 346 LYS CE . 50405 1 310 . 1 . 1 30 30 LYS N N 15 117.40 0.05 . 1 . . . . . 346 LYS N . 50405 1 311 . 1 . 1 31 31 HIS H H 1 7.02 0.01 . 1 . . . . . 347 HIS HN . 50405 1 312 . 1 . 1 31 31 HIS HA H 1 4.59 0.01 . 1 . . . . . 347 HIS HA . 50405 1 313 . 1 . 1 31 31 HIS HB2 H 1 2.81 0.01 . 2 . . . . . 347 HIS HB1 . 50405 1 314 . 1 . 1 31 31 HIS HB3 H 1 2.21 0.01 . 2 . . . . . 347 HIS HB2 . 50405 1 315 . 1 . 1 31 31 HIS HD2 H 1 6.48 0.01 . 1 . . . . . 347 HIS HD2 . 50405 1 316 . 1 . 1 31 31 HIS HE1 H 1 7.91 0.01 . 1 . . . . . 347 HIS HE1 . 50405 1 317 . 1 . 1 31 31 HIS CA C 13 54.15 0.05 . 1 . . . . . 347 HIS CA . 50405 1 318 . 1 . 1 31 31 HIS CB C 13 27.46 0.05 . 1 . . . . . 347 HIS CB . 50405 1 319 . 1 . 1 31 31 HIS CD2 C 13 127.09 0.05 . 1 . . . . . 347 HIS CD2 . 50405 1 320 . 1 . 1 31 31 HIS CE1 C 13 138.39 0.05 . 1 . . . . . 347 HIS CE1 . 50405 1 321 . 1 . 1 31 31 HIS N N 15 115.41 0.05 . 1 . . . . . 347 HIS N . 50405 1 322 . 1 . 1 32 32 THR H H 1 7.58 0.01 . 1 . . . . . 348 THR HN . 50405 1 323 . 1 . 1 32 32 THR HA H 1 4.32 0.01 . 1 . . . . . 348 THR HA . 50405 1 324 . 1 . 1 32 32 THR HB H 1 4.22 0.01 . 1 . . . . . 348 THR HB . 50405 1 325 . 1 . 1 32 32 THR HG21 H 1 1.14 0.01 . 1 . . . . . 348 THR HG2 . 50405 1 326 . 1 . 1 32 32 THR HG22 H 1 1.14 0.01 . 1 . . . . . 348 THR HG2 . 50405 1 327 . 1 . 1 32 32 THR HG23 H 1 1.14 0.01 . 1 . . . . . 348 THR HG2 . 50405 1 328 . 1 . 1 32 32 THR CA C 13 61.59 0.05 . 1 . . . . . 348 THR CA . 50405 1 329 . 1 . 1 32 32 THR CB C 13 69.34 0.05 . 1 . . . . . 348 THR CB . 50405 1 330 . 1 . 1 32 32 THR CG2 C 13 21.06 0.05 . 1 . . . . . 348 THR CG2 . 50405 1 331 . 1 . 1 32 32 THR N N 15 112.82 0.05 . 1 . . . . . 348 THR N . 50405 1 332 . 1 . 1 33 33 GLY H H 1 8.29 0.01 . 1 . . . . . 349 GLY HN . 50405 1 333 . 1 . 1 33 33 GLY HA2 H 1 3.94 0.01 . 2 . . . . . 349 GLY HA . 50405 1 334 . 1 . 1 33 33 GLY HA3 H 1 3.94 0.01 . 2 . . . . . 349 GLY HA . 50405 1 335 . 1 . 1 33 33 GLY CA C 13 44.76 0.05 . 1 . . . . . 349 GLY CA . 50405 1 336 . 1 . 1 33 33 GLY N N 15 110.30 0.05 . 1 . . . . . 349 GLY N . 50405 1 337 . 1 . 1 34 34 GLU H H 1 8.15 0.01 . 1 . . . . . 350 GLU HN . 50405 1 338 . 1 . 1 34 34 GLU HA H 1 4.19 0.01 . 1 . . . . . 350 GLU HA . 50405 1 339 . 1 . 1 34 34 GLU HB2 H 1 2.00 0.01 . 2 . . . . . 350 GLU HB1 . 50405 1 340 . 1 . 1 34 34 GLU HB3 H 1 1.92 0.01 . 2 . . . . . 350 GLU HB2 . 50405 1 341 . 1 . 1 34 34 GLU HG2 H 1 2.28 0.01 . 2 . . . . . 350 GLU HG1 . 50405 1 342 . 1 . 1 34 34 GLU HG3 H 1 2.24 0.01 . 2 . . . . . 350 GLU HG2 . 50405 1 343 . 1 . 1 34 34 GLU CA C 13 56.56 0.05 . 1 . . . . . 350 GLU CA . 50405 1 344 . 1 . 1 34 34 GLU CB C 13 29.87 0.05 . 1 . . . . . 350 GLU CB . 50405 1 345 . 1 . 1 34 34 GLU CG C 13 35.96 0.05 . 1 . . . . . 350 GLU CG . 50405 1 346 . 1 . 1 34 34 GLU N N 15 119.76 0.05 . 1 . . . . . 350 GLU N . 50405 1 347 . 1 . 1 35 35 LYS H H 1 8.39 0.01 . 1 . . . . . 351 LYS HN . 50405 1 348 . 1 . 1 35 35 LYS HA H 1 4.54 0.01 . 1 . . . . . 351 LYS HA . 50405 1 349 . 1 . 1 35 35 LYS HB2 H 1 1.59 0.01 . 2 . . . . . 351 LYS HB1 . 50405 1 350 . 1 . 1 35 35 LYS HB3 H 1 1.38 0.01 . 2 . . . . . 351 LYS HB2 . 50405 1 351 . 1 . 1 35 35 LYS HG2 H 1 1.20 0.01 . 2 . . . . . 351 LYS HG1 . 50405 1 352 . 1 . 1 35 35 LYS HG3 H 1 1.12 0.01 . 2 . . . . . 351 LYS HG2 . 50405 1 353 . 1 . 1 35 35 LYS HD2 H 1 1.47 0.01 . 2 . . . . . 351 LYS HD1 . 50405 1 354 . 1 . 1 35 35 LYS HD3 H 1 1.45 0.01 . 2 . . . . . 351 LYS HD2 . 50405 1 355 . 1 . 1 35 35 LYS HE2 H 1 2.92 0.01 . 2 . . . . . 351 LYS HE . 50405 1 356 . 1 . 1 35 35 LYS HE3 H 1 2.92 0.01 . 2 . . . . . 351 LYS HE . 50405 1 357 . 1 . 1 35 35 LYS CA C 13 53.49 0.05 . 1 . . . . . 351 LYS CA . 50405 1 358 . 1 . 1 35 35 LYS CB C 13 33.11 0.05 . 1 . . . . . 351 LYS CB . 50405 1 359 . 1 . 1 35 35 LYS CD C 13 29.23 0.05 . 1 . . . . . 351 LYS CD . 50405 1 360 . 1 . 1 35 35 LYS N N 15 120.95 0.05 . 1 . . . . . 351 LYS N . 50405 1 361 . 1 . 1 36 36 PRO HA H 1 4.32 0.01 . 1 . . . . . 352 PRO HA . 50405 1 362 . 1 . 1 36 36 PRO HB2 H 1 1.98 0.01 . 2 . . . . . 352 PRO HB1 . 50405 1 363 . 1 . 1 36 36 PRO HB3 H 1 1.27 0.01 . 2 . . . . . 352 PRO HB2 . 50405 1 364 . 1 . 1 36 36 PRO HG2 H 1 1.77 0.01 . 2 . . . . . 352 PRO HG1 . 50405 1 365 . 1 . 1 36 36 PRO HG3 H 1 1.53 0.01 . 2 . . . . . 352 PRO HG2 . 50405 1 366 . 1 . 1 36 36 PRO HD2 H 1 3.78 0.01 . 2 . . . . . 352 PRO HD1 . 50405 1 367 . 1 . 1 36 36 PRO HD3 H 1 3.64 0.01 . 2 . . . . . 352 PRO HD2 . 50405 1 368 . 1 . 1 36 36 PRO CA C 13 63.46 0.05 . 1 . . . . . 352 PRO CA . 50405 1 369 . 1 . 1 36 36 PRO CB C 13 31.93 0.05 . 1 . . . . . 352 PRO CB . 50405 1 370 . 1 . 1 36 36 PRO CG C 13 26.09 0.05 . 1 . . . . . 352 PRO CG . 50405 1 371 . 1 . 1 36 36 PRO CD C 13 50.06 0.05 . 1 . . . . . 352 PRO CD . 50405 1 372 . 1 . 1 37 37 TYR H H 1 7.86 0.01 . 1 . . . . . 353 TYR HN . 50405 1 373 . 1 . 1 37 37 TYR HA H 1 4.63 0.01 . 1 . . . . . 353 TYR HA . 50405 1 374 . 1 . 1 37 37 TYR HB2 H 1 2.92 0.01 . 2 . . . . . 353 TYR HB1 . 50405 1 375 . 1 . 1 37 37 TYR HB3 H 1 2.86 0.01 . 2 . . . . . 353 TYR HB2 . 50405 1 376 . 1 . 1 37 37 TYR HD1 H 1 7.02 0.01 . 3 . . . . . 353 TYR HD . 50405 1 377 . 1 . 1 37 37 TYR HD2 H 1 7.02 0.01 . 3 . . . . . 353 TYR HD . 50405 1 378 . 1 . 1 37 37 TYR HE1 H 1 6.89 0.01 . 3 . . . . . 353 TYR HE . 50405 1 379 . 1 . 1 37 37 TYR HE2 H 1 6.89 0.01 . 3 . . . . . 353 TYR HE . 50405 1 380 . 1 . 1 37 37 TYR CA C 13 57.43 0.05 . 1 . . . . . 353 TYR CA . 50405 1 381 . 1 . 1 37 37 TYR CB C 13 38.00 0.05 . 1 . . . . . 353 TYR CB . 50405 1 382 . 1 . 1 37 37 TYR CD1 C 13 132.35 0.05 . 3 . . . . . 353 TYR CD . 50405 1 383 . 1 . 1 37 37 TYR CD2 C 13 132.35 0.05 . 3 . . . . . 353 TYR CD . 50405 1 384 . 1 . 1 37 37 TYR CE1 C 13 118.28 0.05 . 3 . . . . . 353 TYR CE . 50405 1 385 . 1 . 1 37 37 TYR CE2 C 13 118.28 0.05 . 3 . . . . . 353 TYR CE . 50405 1 386 . 1 . 1 37 37 TYR N N 15 118.20 0.05 . 1 . . . . . 353 TYR N . 50405 1 387 . 1 . 1 38 38 GLN H H 1 8.81 0.01 . 1 . . . . . 354 GLN HN . 50405 1 388 . 1 . 1 38 38 GLN HA H 1 5.00 0.01 . 1 . . . . . 354 GLN HA . 50405 1 389 . 1 . 1 38 38 GLN HB2 H 1 2.02 0.01 . 2 . . . . . 354 GLN HB1 . 50405 1 390 . 1 . 1 38 38 GLN HB3 H 1 1.81 0.01 . 2 . . . . . 354 GLN HB2 . 50405 1 391 . 1 . 1 38 38 GLN HG2 H 1 2.41 0.01 . 2 . . . . . 354 GLN HG1 . 50405 1 392 . 1 . 1 38 38 GLN HG3 H 1 2.09 0.01 . 2 . . . . . 354 GLN HG2 . 50405 1 393 . 1 . 1 38 38 GLN CA C 13 53.86 0.05 . 1 . . . . . 354 GLN CA . 50405 1 394 . 1 . 1 38 38 GLN CB C 13 31.17 0.05 . 1 . . . . . 354 GLN CB . 50405 1 395 . 1 . 1 38 38 GLN CG C 13 33.19 0.05 . 1 . . . . . 354 GLN CG . 50405 1 396 . 1 . 1 38 38 GLN N N 15 124.68 0.05 . 1 . . . . . 354 GLN N . 50405 1 397 . 1 . 1 39 39 CYS H H 1 8.87 0.01 . 1 . . . . . 355 CYS HN . 50405 1 398 . 1 . 1 39 39 CYS HA H 1 4.29 0.01 . 1 . . . . . 355 CYS HA . 50405 1 399 . 1 . 1 39 39 CYS HB2 H 1 3.29 0.01 . 2 . . . . . 355 CYS HB1 . 50405 1 400 . 1 . 1 39 39 CYS HB3 H 1 2.89 0.01 . 2 . . . . . 355 CYS HB2 . 50405 1 401 . 1 . 1 39 39 CYS CA C 13 61.50 0.05 . 1 . . . . . 355 CYS CA . 50405 1 402 . 1 . 1 39 39 CYS CB C 13 30.00 0.05 . 1 . . . . . 355 CYS CB . 50405 1 403 . 1 . 1 39 39 CYS N N 15 128.39 0.05 . 1 . . . . . 355 CYS N . 50405 1 404 . 1 . 1 40 40 ASP H H 1 8.48 0.01 . 1 . . . . . 356 ASP HN . 50405 1 405 . 1 . 1 40 40 ASP HA H 1 4.78 0.01 . 1 . . . . . 356 ASP HA . 50405 1 406 . 1 . 1 40 40 ASP HB2 H 1 2.97 0.01 . 2 . . . . . 356 ASP HB1 . 50405 1 407 . 1 . 1 40 40 ASP HB3 H 1 2.70 0.01 . 2 . . . . . 356 ASP HB2 . 50405 1 408 . 1 . 1 40 40 ASP CA C 13 53.10 0.05 . 1 . . . . . 356 ASP CA . 50405 1 409 . 1 . 1 40 40 ASP CB C 13 40.32 0.05 . 1 . . . . . 356 ASP CB . 50405 1 410 . 1 . 1 40 40 ASP N N 15 126.89 0.05 . 1 . . . . . 356 ASP N . 50405 1 411 . 1 . 1 41 41 PHE H H 1 9.04 0.01 . 1 . . . . . 357 PHE HN . 50405 1 412 . 1 . 1 41 41 PHE HA H 1 4.15 0.01 . 1 . . . . . 357 PHE HA . 50405 1 413 . 1 . 1 41 41 PHE HB2 H 1 2.76 0.01 . 2 . . . . . 357 PHE HB1 . 50405 1 414 . 1 . 1 41 41 PHE HB3 H 1 2.47 0.01 . 2 . . . . . 357 PHE HB2 . 50405 1 415 . 1 . 1 41 41 PHE CA C 13 58.99 0.05 . 1 . . . . . 357 PHE CA . 50405 1 416 . 1 . 1 41 41 PHE CB C 13 39.22 0.05 . 1 . . . . . 357 PHE CB . 50405 1 417 . 1 . 1 41 41 PHE N N 15 126.49 0.05 . 1 . . . . . 357 PHE N . 50405 1 418 . 1 . 1 42 42 LYS H H 1 7.86 0.01 . 1 . . . . . 358 LYS HN . 50405 1 419 . 1 . 1 42 42 LYS HA H 1 3.77 0.01 . 1 . . . . . 358 LYS HA . 50405 1 420 . 1 . 1 42 42 LYS HB2 H 1 1.49 0.01 . 2 . . . . . 358 LYS HB1 . 50405 1 421 . 1 . 1 42 42 LYS HB3 H 1 1.41 0.01 . 2 . . . . . 358 LYS HB2 . 50405 1 422 . 1 . 1 42 42 LYS HG2 H 1 1.17 0.01 . 2 . . . . . 358 LYS HG . 50405 1 423 . 1 . 1 42 42 LYS HG3 H 1 1.17 0.01 . 2 . . . . . 358 LYS HG . 50405 1 424 . 1 . 1 42 42 LYS HD2 H 1 1.51 0.01 . 2 . . . . . 358 LYS HD1 . 50405 1 425 . 1 . 1 42 42 LYS HD3 H 1 1.58 0.01 . 2 . . . . . 358 LYS HD2 . 50405 1 426 . 1 . 1 42 42 LYS CA C 13 57.90 0.05 . 1 . . . . . 358 LYS CA . 50405 1 427 . 1 . 1 42 42 LYS CB C 13 31.36 0.05 . 1 . . . . . 358 LYS CB . 50405 1 428 . 1 . 1 42 42 LYS CG C 13 23.90 0.05 . 1 . . . . . 358 LYS CG . 50405 1 429 . 1 . 1 42 42 LYS CD C 13 28.4 0.1 . 1 . . . . . 358 LYS CD . 50405 1 430 . 1 . 1 42 42 LYS N N 15 127.67 0.05 . 1 . . . . . 358 LYS N . 50405 1 431 . 1 . 1 43 43 ASP H H 1 8.78 0.01 . 1 . . . . . 359 ASP HN . 50405 1 432 . 1 . 1 43 43 ASP HA H 1 4.34 0.01 . 1 . . . . . 359 ASP HA . 50405 1 433 . 1 . 1 43 43 ASP HB2 H 1 2.96 0.01 . 2 . . . . . 359 ASP HB1 . 50405 1 434 . 1 . 1 43 43 ASP HB3 H 1 2.91 0.01 . 2 . . . . . 359 ASP HB2 . 50405 1 435 . 1 . 1 43 43 ASP CA C 13 55.00 0.05 . 1 . . . . . 359 ASP CA . 50405 1 436 . 1 . 1 43 43 ASP CB C 13 39.00 0.05 . 1 . . . . . 359 ASP CB . 50405 1 437 . 1 . 1 43 43 ASP N N 15 119.79 0.05 . 1 . . . . . 359 ASP N . 50405 1 438 . 1 . 1 44 44 CYS H H 1 8.26 0.01 . 1 . . . . . 360 CYS HN . 50405 1 439 . 1 . 1 44 44 CYS HA H 1 4.50 0.01 . 1 . . . . . 360 CYS HA . 50405 1 440 . 1 . 1 44 44 CYS HB2 H 1 3.29 0.01 . 2 . . . . . 360 CYS HB1 . 50405 1 441 . 1 . 1 44 44 CYS HB3 H 1 2.95 0.01 . 2 . . . . . 360 CYS HB2 . 50405 1 442 . 1 . 1 44 44 CYS CA C 13 60.85 0.05 . 1 . . . . . 360 CYS CA . 50405 1 443 . 1 . 1 44 44 CYS CB C 13 29.95 0.05 . 1 . . . . . 360 CYS CB . 50405 1 444 . 1 . 1 44 44 CYS N N 15 123.01 0.05 . 1 . . . . . 360 CYS N . 50405 1 445 . 1 . 1 45 45 GLU H H 1 8.60 0.01 . 1 . . . . . 361 GLU HN . 50405 1 446 . 1 . 1 45 45 GLU HA H 1 4.51 0.01 . 1 . . . . . 361 GLU HA . 50405 1 447 . 1 . 1 45 45 GLU HB2 H 1 2.37 0.01 . 2 . . . . . 361 GLU HB1 . 50405 1 448 . 1 . 1 45 45 GLU HB3 H 1 1.99 0.01 . 2 . . . . . 361 GLU HB2 . 50405 1 449 . 1 . 1 45 45 GLU HG2 H 1 2.18 0.01 . 2 . . . . . 361 GLU HG1 . 50405 1 450 . 1 . 1 45 45 GLU HG3 H 1 2.14 0.01 . 2 . . . . . 361 GLU HG2 . 50405 1 451 . 1 . 1 45 45 GLU CA C 13 55.66 0.05 . 1 . . . . . 361 GLU CA . 50405 1 452 . 1 . 1 45 45 GLU CB C 13 27.83 0.05 . 1 . . . . . 361 GLU CB . 50405 1 453 . 1 . 1 45 45 GLU CG C 13 36.12 0.05 . 1 . . . . . 361 GLU CG . 50405 1 454 . 1 . 1 45 45 GLU N N 15 118.20 0.05 . 1 . . . . . 361 GLU N . 50405 1 455 . 1 . 1 46 46 ARG H H 1 8.20 0.01 . 1 . . . . . 362 ARG HN . 50405 1 456 . 1 . 1 46 46 ARG HA H 1 3.96 0.01 . 1 . . . . . 362 ARG HA . 50405 1 457 . 1 . 1 46 46 ARG HB2 H 1 1.76 0.01 . 2 . . . . . 362 ARG HB . 50405 1 458 . 1 . 1 46 46 ARG HB3 H 1 1.76 0.01 . 2 . . . . . 362 ARG HB . 50405 1 459 . 1 . 1 46 46 ARG HG2 H 1 1.54 0.01 . 2 . . . . . 362 ARG HG . 50405 1 460 . 1 . 1 46 46 ARG HG3 H 1 1.54 0.01 . 2 . . . . . 362 ARG HG . 50405 1 461 . 1 . 1 46 46 ARG HD2 H 1 3.09 0.01 . 2 . . . . . 362 ARG HD . 50405 1 462 . 1 . 1 46 46 ARG HD3 H 1 3.09 0.01 . 2 . . . . . 362 ARG HD . 50405 1 463 . 1 . 1 46 46 ARG CA C 13 56.42 0.05 . 1 . . . . . 362 ARG CA . 50405 1 464 . 1 . 1 46 46 ARG CB C 13 29.71 0.05 . 1 . . . . . 362 ARG CB . 50405 1 465 . 1 . 1 46 46 ARG CG C 13 27.0 0.1 . 1 . . . . . 362 ARG CG . 50405 1 466 . 1 . 1 46 46 ARG CD C 13 41.5 0.1 . 1 . . . . . 362 ARG CD . 50405 1 467 . 1 . 1 46 46 ARG N N 15 122.13 0.05 . 1 . . . . . 362 ARG N . 50405 1 468 . 1 . 1 47 47 ARG H H 1 7.71 0.01 . 1 . . . . . 363 ARG HN . 50405 1 469 . 1 . 1 47 47 ARG HA H 1 5.20 0.01 . 1 . . . . . 363 ARG HA . 50405 1 470 . 1 . 1 47 47 ARG HB2 H 1 1.82 0.01 . 2 . . . . . 363 ARG HB1 . 50405 1 471 . 1 . 1 47 47 ARG HB3 H 1 1.45 0.01 . 2 . . . . . 363 ARG HB2 . 50405 1 472 . 1 . 1 47 47 ARG HG2 H 1 1.39 0.01 . 2 . . . . . 363 ARG HG . 50405 1 473 . 1 . 1 47 47 ARG HG3 H 1 1.39 0.01 . 2 . . . . . 363 ARG HG . 50405 1 474 . 1 . 1 47 47 ARG HD2 H 1 3.21 0.01 . 2 . . . . . 363 ARG HD . 50405 1 475 . 1 . 1 47 47 ARG HD3 H 1 3.21 0.01 . 2 . . . . . 363 ARG HD . 50405 1 476 . 1 . 1 47 47 ARG CA C 13 53.89 0.05 . 1 . . . . . 363 ARG CA . 50405 1 477 . 1 . 1 47 47 ARG CB C 13 33.44 0.05 . 1 . . . . . 363 ARG CB . 50405 1 478 . 1 . 1 47 47 ARG CG C 13 27.1 0.1 . 1 . . . . . 363 ARG CG . 50405 1 479 . 1 . 1 47 47 ARG CD C 13 42.9 0.1 . 1 . . . . . 363 ARG CD . 50405 1 480 . 1 . 1 47 47 ARG N N 15 118.18 0.05 . 1 . . . . . 363 ARG N . 50405 1 481 . 1 . 1 48 48 PHE H H 1 8.79 0.01 . 1 . . . . . 364 PHE HN . 50405 1 482 . 1 . 1 48 48 PHE HA H 1 4.84 0.01 . 1 . . . . . 364 PHE HA . 50405 1 483 . 1 . 1 48 48 PHE HB2 H 1 3.50 0.01 . 2 . . . . . 364 PHE HB1 . 50405 1 484 . 1 . 1 48 48 PHE HB3 H 1 2.71 0.01 . 2 . . . . . 364 PHE HB2 . 50405 1 485 . 1 . 1 48 48 PHE HD1 H 1 7.12 0.01 . 3 . . . . . 364 PHE HD . 50405 1 486 . 1 . 1 48 48 PHE HD2 H 1 7.12 0.01 . 3 . . . . . 364 PHE HD . 50405 1 487 . 1 . 1 48 48 PHE HE1 H 1 6.88 0.01 . 3 . . . . . 364 PHE HE . 50405 1 488 . 1 . 1 48 48 PHE HE2 H 1 6.88 0.01 . 3 . . . . . 364 PHE HE . 50405 1 489 . 1 . 1 48 48 PHE HZ H 1 6.20 0.01 . 1 . . . . . 364 PHE HZ . 50405 1 490 . 1 . 1 48 48 PHE CA C 13 56.57 0.05 . 1 . . . . . 364 PHE CA . 50405 1 491 . 1 . 1 48 48 PHE CB C 13 43.69 0.05 . 1 . . . . . 364 PHE CB . 50405 1 492 . 1 . 1 48 48 PHE CD1 C 13 131.48 0.05 . 3 . . . . . 364 PHE CD . 50405 1 493 . 1 . 1 48 48 PHE CD2 C 13 131.48 0.05 . 3 . . . . . 364 PHE CD . 50405 1 494 . 1 . 1 48 48 PHE CE1 C 13 130.29 0.05 . 3 . . . . . 364 PHE CE . 50405 1 495 . 1 . 1 48 48 PHE CE2 C 13 130.29 0.05 . 3 . . . . . 364 PHE CE . 50405 1 496 . 1 . 1 48 48 PHE CZ C 13 128.48 0.05 . 1 . . . . . 364 PHE CZ . 50405 1 497 . 1 . 1 48 48 PHE N N 15 116.17 0.05 . 1 . . . . . 364 PHE N . 50405 1 498 . 1 . 1 49 49 SER H H 1 9.19 0.01 . 1 . . . . . 365 SER HN . 50405 1 499 . 1 . 1 49 49 SER HA H 1 4.76 0.01 . 1 . . . . . 365 SER HA . 50405 1 500 . 1 . 1 49 49 SER HB2 H 1 4.06 0.01 . 2 . . . . . 365 SER HB1 . 50405 1 501 . 1 . 1 49 49 SER HB3 H 1 4.14 0.01 . 2 . . . . . 365 SER HB2 . 50405 1 502 . 1 . 1 49 49 SER CA C 13 60.77 0.05 . 1 . . . . . 365 SER CA . 50405 1 503 . 1 . 1 49 49 SER CB C 13 63.79 0.05 . 1 . . . . . 365 SER CB . 50405 1 504 . 1 . 1 49 49 SER N N 15 116.96 0.05 . 1 . . . . . 365 SER N . 50405 1 505 . 1 . 1 50 50 ARG H H 1 7.68 0.01 . 1 . . . . . 366 ARG HN . 50405 1 506 . 1 . 1 50 50 ARG HA H 1 4.87 0.01 . 1 . . . . . 366 ARG HA . 50405 1 507 . 1 . 1 50 50 ARG HB2 H 1 2.12 0.01 . 2 . . . . . 366 ARG HB1 . 50405 1 508 . 1 . 1 50 50 ARG HB3 H 1 1.52 0.01 . 2 . . . . . 366 ARG HB2 . 50405 1 509 . 1 . 1 50 50 ARG HG2 H 1 1.76 0.01 . 2 . . . . . 366 ARG HG . 50405 1 510 . 1 . 1 50 50 ARG HG3 H 1 1.76 0.01 . 2 . . . . . 366 ARG HG . 50405 1 511 . 1 . 1 50 50 ARG CA C 13 53.88 0.05 . 1 . . . . . 366 ARG CA . 50405 1 512 . 1 . 1 50 50 ARG CB C 13 35.23 0.05 . 1 . . . . . 366 ARG CB . 50405 1 513 . 1 . 1 50 50 ARG N N 15 116.41 0.05 . 1 . . . . . 366 ARG N . 50405 1 514 . 1 . 1 51 51 SER H H 1 8.53 0.01 . 1 . . . . . 367 SER HN . 50405 1 515 . 1 . 1 51 51 SER CA C 13 60.2 0.1 . 1 . . . . . 367 SER CA . 50405 1 516 . 1 . 1 51 51 SER CB C 13 61.8 0.1 . 1 . . . . . 367 SER CB . 50405 1 517 . 1 . 1 51 51 SER N N 15 119.20 0.05 . 1 . . . . . 367 SER N . 50405 1 518 . 1 . 1 52 52 ASP H H 1 8.63 0.01 . 1 . . . . . 368 ASP HN . 50405 1 519 . 1 . 1 52 52 ASP HA H 1 4.28 0.01 . 1 . . . . . 368 ASP HA . 50405 1 520 . 1 . 1 52 52 ASP HB2 H 1 2.67 0.01 . 2 . . . . . 368 ASP HB1 . 50405 1 521 . 1 . 1 52 52 ASP HB3 H 1 2.55 0.01 . 2 . . . . . 368 ASP HB2 . 50405 1 522 . 1 . 1 52 52 ASP CA C 13 55.92 0.05 . 1 . . . . . 368 ASP CA . 50405 1 523 . 1 . 1 52 52 ASP CB C 13 38.30 0.05 . 1 . . . . . 368 ASP CB . 50405 1 524 . 1 . 1 52 52 ASP N N 15 119.80 0.05 . 1 . . . . . 368 ASP N . 50405 1 525 . 1 . 1 53 53 GLN H H 1 6.95 0.01 . 1 . . . . . 369 GLN HN . 50405 1 526 . 1 . 1 53 53 GLN HA H 1 3.85 0.01 . 1 . . . . . 369 GLN HA . 50405 1 527 . 1 . 1 53 53 GLN HB2 H 1 2.43 0.01 . 2 . . . . . 369 GLN HB1 . 50405 1 528 . 1 . 1 53 53 GLN HB3 H 1 2.02 0.01 . 2 . . . . . 369 GLN HB2 . 50405 1 529 . 1 . 1 53 53 GLN HG2 H 1 2.31 0.01 . 2 . . . . . 369 GLN HG1 . 50405 1 530 . 1 . 1 53 53 GLN CA C 13 57.22 0.05 . 1 . . . . . 369 GLN CA . 50405 1 531 . 1 . 1 53 53 GLN CB C 13 28.22 0.05 . 1 . . . . . 369 GLN CB . 50405 1 532 . 1 . 1 53 53 GLN CG C 13 33.69 0.05 . 1 . . . . . 369 GLN CG . 50405 1 533 . 1 . 1 53 53 GLN N N 15 119.68 0.05 . 1 . . . . . 369 GLN N . 50405 1 534 . 1 . 1 54 54 LEU H H 1 6.89 0.01 . 1 . . . . . 370 LEU HN . 50405 1 535 . 1 . 1 54 54 LEU HA H 1 3.21 0.01 . 1 . . . . . 370 LEU HA . 50405 1 536 . 1 . 1 54 54 LEU HB2 H 1 1.93 0.01 . 2 . . . . . 370 LEU HB1 . 50405 1 537 . 1 . 1 54 54 LEU HB3 H 1 1.21 0.01 . 2 . . . . . 370 LEU HB2 . 50405 1 538 . 1 . 1 54 54 LEU HG H 1 1.48 0.01 . 1 . . . . . 370 LEU HG . 50405 1 539 . 1 . 1 54 54 LEU HD11 H 1 1.04 0.01 . 2 . . . . . 370 LEU HD1 . 50405 1 540 . 1 . 1 54 54 LEU HD12 H 1 1.04 0.01 . 2 . . . . . 370 LEU HD1 . 50405 1 541 . 1 . 1 54 54 LEU HD13 H 1 1.04 0.01 . 2 . . . . . 370 LEU HD1 . 50405 1 542 . 1 . 1 54 54 LEU HD21 H 1 1.05 0.01 . 2 . . . . . 370 LEU HD2 . 50405 1 543 . 1 . 1 54 54 LEU HD22 H 1 1.05 0.01 . 2 . . . . . 370 LEU HD2 . 50405 1 544 . 1 . 1 54 54 LEU HD23 H 1 1.05 0.01 . 2 . . . . . 370 LEU HD2 . 50405 1 545 . 1 . 1 54 54 LEU CA C 13 57.13 0.05 . 1 . . . . . 370 LEU CA . 50405 1 546 . 1 . 1 54 54 LEU CB C 13 39.83 0.05 . 1 . . . . . 370 LEU CB . 50405 1 547 . 1 . 1 54 54 LEU CG C 13 27.10 0.05 . 1 . . . . . 370 LEU CG . 50405 1 548 . 1 . 1 54 54 LEU CD1 C 13 25.96 0.05 . 2 . . . . . 370 LEU CD1 . 50405 1 549 . 1 . 1 54 54 LEU CD2 C 13 22.58 0.05 . 2 . . . . . 370 LEU CD2 . 50405 1 550 . 1 . 1 54 54 LEU N N 15 120.91 0.05 . 1 . . . . . 370 LEU N . 50405 1 551 . 1 . 1 55 55 LYS H H 1 8.03 0.01 . 1 . . . . . 371 LYS HN . 50405 1 552 . 1 . 1 55 55 LYS HA H 1 4.07 0.01 . 1 . . . . . 371 LYS HA . 50405 1 553 . 1 . 1 55 55 LYS HB2 H 1 1.78 0.01 . 2 . . . . . 371 LYS HB . 50405 1 554 . 1 . 1 55 55 LYS HB3 H 1 1.78 0.01 . 2 . . . . . 371 LYS HB . 50405 1 555 . 1 . 1 55 55 LYS HG2 H 1 1.49 0.01 . 2 . . . . . 371 LYS HG1 . 50405 1 556 . 1 . 1 55 55 LYS HG3 H 1 1.38 0.01 . 2 . . . . . 371 LYS HG2 . 50405 1 557 . 1 . 1 55 55 LYS HD2 H 1 1.65 0.01 . 2 . . . . . 371 LYS HD1 . 50405 1 558 . 1 . 1 55 55 LYS HD3 H 1 1.63 0.01 . 2 . . . . . 371 LYS HD2 . 50405 1 559 . 1 . 1 55 55 LYS HE2 H 1 2.92 0.01 . 2 . . . . . 371 LYS HE . 50405 1 560 . 1 . 1 55 55 LYS HE3 H 1 2.92 0.01 . 2 . . . . . 371 LYS HE . 50405 1 561 . 1 . 1 55 55 LYS CA C 13 59.04 0.05 . 1 . . . . . 371 LYS CA . 50405 1 562 . 1 . 1 55 55 LYS CB C 13 31.58 0.05 . 1 . . . . . 371 LYS CB . 50405 1 563 . 1 . 1 55 55 LYS CG C 13 24.77 0.05 . 1 . . . . . 371 LYS CG . 50405 1 564 . 1 . 1 55 55 LYS CD C 13 28.92 0.05 . 1 . . . . . 371 LYS CD . 50405 1 565 . 1 . 1 55 55 LYS CE C 13 41.6 0.1 . 1 . . . . . 371 LYS CE . 50405 1 566 . 1 . 1 55 55 LYS N N 15 118.87 0.05 . 1 . . . . . 371 LYS N . 50405 1 567 . 1 . 1 56 56 ARG H H 1 7.53 0.01 . 1 . . . . . 372 ARG HN . 50405 1 568 . 1 . 1 56 56 ARG HA H 1 3.91 0.01 . 1 . . . . . 372 ARG HA . 50405 1 569 . 1 . 1 56 56 ARG HB2 H 1 1.76 0.01 . 2 . . . . . 372 ARG HB . 50405 1 570 . 1 . 1 56 56 ARG HB3 H 1 1.76 0.01 . 2 . . . . . 372 ARG HB . 50405 1 571 . 1 . 1 56 56 ARG HG2 H 1 1.54 0.01 . 2 . . . . . 372 ARG HG . 50405 1 572 . 1 . 1 56 56 ARG HG3 H 1 1.54 0.01 . 2 . . . . . 372 ARG HG . 50405 1 573 . 1 . 1 56 56 ARG HD2 H 1 3.18 0.01 . 2 . . . . . 372 ARG HD . 50405 1 574 . 1 . 1 56 56 ARG HD3 H 1 3.18 0.01 . 2 . . . . . 372 ARG HD . 50405 1 575 . 1 . 1 56 56 ARG CA C 13 59.13 0.05 . 1 . . . . . 372 ARG CA . 50405 1 576 . 1 . 1 56 56 ARG CB C 13 29.69 0.05 . 1 . . . . . 372 ARG CB . 50405 1 577 . 1 . 1 56 56 ARG CG C 13 27.3 0.1 . 1 . . . . . 372 ARG CG . 50405 1 578 . 1 . 1 56 56 ARG CD C 13 42.9 0.1 . 1 . . . . . 372 ARG CD . 50405 1 579 . 1 . 1 56 56 ARG N N 15 117.88 0.05 . 1 . . . . . 372 ARG N . 50405 1 580 . 1 . 1 57 57 HIS H H 1 7.48 0.01 . 1 . . . . . 373 HIS HN . 50405 1 581 . 1 . 1 57 57 HIS HA H 1 4.23 0.01 . 1 . . . . . 373 HIS HA . 50405 1 582 . 1 . 1 57 57 HIS HB2 H 1 3.08 0.01 . 2 . . . . . 373 HIS HB1 . 50405 1 583 . 1 . 1 57 57 HIS HB3 H 1 2.93 0.01 . 2 . . . . . 373 HIS HB2 . 50405 1 584 . 1 . 1 57 57 HIS HD2 H 1 7.08 0.01 . 1 . . . . . 373 HIS HD2 . 50405 1 585 . 1 . 1 57 57 HIS HE1 H 1 7.86 0.01 . 1 . . . . . 373 HIS HE1 . 50405 1 586 . 1 . 1 57 57 HIS CA C 13 58.61 0.05 . 1 . . . . . 373 HIS CA . 50405 1 587 . 1 . 1 57 57 HIS CB C 13 27.97 0.05 . 1 . . . . . 373 HIS CB . 50405 1 588 . 1 . 1 57 57 HIS CD2 C 13 127.10 0.05 . 1 . . . . . 373 HIS CD2 . 50405 1 589 . 1 . 1 57 57 HIS CE1 C 13 137.99 0.05 . 1 . . . . . 373 HIS CE1 . 50405 1 590 . 1 . 1 57 57 HIS N N 15 119.13 0.05 . 1 . . . . . 373 HIS N . 50405 1 591 . 1 . 1 58 58 GLN H H 1 8.45 0.01 . 1 . . . . . 374 GLN HN . 50405 1 592 . 1 . 1 58 58 GLN HA H 1 3.61 0.01 . 1 . . . . . 374 GLN HA . 50405 1 593 . 1 . 1 58 58 GLN HB2 H 1 2.29 0.01 . 2 . . . . . 374 GLN HB1 . 50405 1 594 . 1 . 1 58 58 GLN HB3 H 1 2.16 0.01 . 2 . . . . . 374 GLN HB2 . 50405 1 595 . 1 . 1 58 58 GLN HG2 H 1 2.86 0.01 . 2 . . . . . 374 GLN HG1 . 50405 1 596 . 1 . 1 58 58 GLN HG3 H 1 2.74 0.01 . 2 . . . . . 374 GLN HG2 . 50405 1 597 . 1 . 1 58 58 GLN CA C 13 59.04 0.05 . 1 . . . . . 374 GLN CA . 50405 1 598 . 1 . 1 58 58 GLN CB C 13 27.86 0.05 . 1 . . . . . 374 GLN CB . 50405 1 599 . 1 . 1 58 58 GLN CG C 13 35.38 0.05 . 1 . . . . . 374 GLN CG . 50405 1 600 . 1 . 1 58 58 GLN N N 15 116.57 0.05 . 1 . . . . . 374 GLN N . 50405 1 601 . 1 . 1 59 59 ARG H H 1 7.27 0.01 . 1 . . . . . 375 ARG HN . 50405 1 602 . 1 . 1 59 59 ARG HA H 1 4.08 0.01 . 1 . . . . . 375 ARG HA . 50405 1 603 . 1 . 1 59 59 ARG HB2 H 1 1.85 0.01 . 2 . . . . . 375 ARG HB1 . 50405 1 604 . 1 . 1 59 59 ARG HB3 H 1 1.76 0.01 . 2 . . . . . 375 ARG HB2 . 50405 1 605 . 1 . 1 59 59 ARG HD2 H 1 3.20 0.01 . 2 . . . . . 375 ARG HD . 50405 1 606 . 1 . 1 59 59 ARG HD3 H 1 3.20 0.01 . 2 . . . . . 375 ARG HD . 50405 1 607 . 1 . 1 59 59 ARG CA C 13 57.83 0.05 . 1 . . . . . 375 ARG CA . 50405 1 608 . 1 . 1 59 59 ARG CB C 13 29.47 0.05 . 1 . . . . . 375 ARG CB . 50405 1 609 . 1 . 1 59 59 ARG CG C 13 26.8 0.1 . 1 . . . . . 375 ARG CG . 50405 1 610 . 1 . 1 59 59 ARG CD C 13 43.0 0.1 . 1 . . . . . 375 ARG CD . 50405 1 611 . 1 . 1 59 59 ARG N N 15 118.06 0.05 . 1 . . . . . 375 ARG N . 50405 1 612 . 1 . 1 60 60 ARG H H 1 7.60 0.01 . 1 . . . . . 376 ARG HN . 50405 1 613 . 1 . 1 60 60 ARG HA H 1 4.04 0.01 . 1 . . . . . 376 ARG HA . 50405 1 614 . 1 . 1 60 60 ARG HB2 H 1 1.63 0.01 . 2 . . . . . 376 ARG HB1 . 50405 1 615 . 1 . 1 60 60 ARG HB3 H 1 1.47 0.01 . 2 . . . . . 376 ARG HB2 . 50405 1 616 . 1 . 1 60 60 ARG HG2 H 1 1.61 0.01 . 2 . . . . . 376 ARG HG . 50405 1 617 . 1 . 1 60 60 ARG HG3 H 1 1.61 0.01 . 2 . . . . . 376 ARG HG . 50405 1 618 . 1 . 1 60 60 ARG HD2 H 1 3.09 0.01 . 2 . . . . . 376 ARG HD . 50405 1 619 . 1 . 1 60 60 ARG HD3 H 1 3.09 0.01 . 2 . . . . . 376 ARG HD . 50405 1 620 . 1 . 1 60 60 ARG CA C 13 56.58 0.05 . 1 . . . . . 376 ARG CA . 50405 1 621 . 1 . 1 60 60 ARG CB C 13 28.8 0.1 . 1 . . . . . 376 ARG CB . 50405 1 622 . 1 . 1 60 60 ARG CG C 13 26.5 0.1 . 1 . . . . . 376 ARG CG . 50405 1 623 . 1 . 1 60 60 ARG CD C 13 42.7 0.1 . 1 . . . . . 376 ARG CD . 50405 1 624 . 1 . 1 60 60 ARG N N 15 116.86 0.05 . 1 . . . . . 376 ARG N . 50405 1 625 . 1 . 1 61 61 HIS H H 1 7.14 0.01 . 1 . . . . . 377 HIS HN . 50405 1 626 . 1 . 1 61 61 HIS HA H 1 4.40 0.01 . 1 . . . . . 377 HIS HA . 50405 1 627 . 1 . 1 61 61 HIS HB2 H 1 2.71 0.01 . 2 . . . . . 377 HIS HB1 . 50405 1 628 . 1 . 1 61 61 HIS HB3 H 1 2.15 0.01 . 2 . . . . . 377 HIS HB2 . 50405 1 629 . 1 . 1 61 61 HIS HD2 H 1 6.26 0.01 . 1 . . . . . 377 HIS HD2 . 50405 1 630 . 1 . 1 61 61 HIS HE1 H 1 7.94 0.01 . 1 . . . . . 377 HIS HE1 . 50405 1 631 . 1 . 1 61 61 HIS CA C 13 54.89 0.05 . 1 . . . . . 377 HIS CA . 50405 1 632 . 1 . 1 61 61 HIS CB C 13 27.87 0.05 . 1 . . . . . 377 HIS CB . 50405 1 633 . 1 . 1 61 61 HIS CD2 C 13 126.71 0.05 . 1 . . . . . 377 HIS CD2 . 50405 1 634 . 1 . 1 61 61 HIS CE1 C 13 137.90 0.05 . 1 . . . . . 377 HIS CE1 . 50405 1 635 . 1 . 1 61 61 HIS N N 15 116.41 0.05 . 1 . . . . . 377 HIS N . 50405 1 636 . 1 . 1 62 62 THR H H 1 7.62 0.01 . 1 . . . . . 378 THR HN . 50405 1 637 . 1 . 1 62 62 THR HA H 1 4.32 0.01 . 1 . . . . . 378 THR HA . 50405 1 638 . 1 . 1 62 62 THR HB H 1 4.28 0.01 . 1 . . . . . 378 THR HB . 50405 1 639 . 1 . 1 62 62 THR HG21 H 1 1.23 0.01 . 1 . . . . . 378 THR HG2 . 50405 1 640 . 1 . 1 62 62 THR HG22 H 1 1.23 0.01 . 1 . . . . . 378 THR HG2 . 50405 1 641 . 1 . 1 62 62 THR HG23 H 1 1.23 0.01 . 1 . . . . . 378 THR HG2 . 50405 1 642 . 1 . 1 62 62 THR CA C 13 61.78 0.05 . 1 . . . . . 378 THR CA . 50405 1 643 . 1 . 1 62 62 THR CB C 13 69.26 0.05 . 1 . . . . . 378 THR CB . 50405 1 644 . 1 . 1 62 62 THR CG2 C 13 21.05 0.05 . 1 . . . . . 378 THR CG2 . 50405 1 645 . 1 . 1 62 62 THR N N 15 112.78 0.05 . 1 . . . . . 378 THR N . 50405 1 646 . 1 . 1 63 63 GLY H H 1 8.36 0.01 . 1 . . . . . 379 GLY HN . 50405 1 647 . 1 . 1 63 63 GLY HA2 H 1 4.02 0.01 . 2 . . . . . 379 GLY HA . 50405 1 648 . 1 . 1 63 63 GLY HA3 H 1 4.02 0.01 . 2 . . . . . 379 GLY HA . 50405 1 649 . 1 . 1 63 63 GLY CA C 13 44.76 0.05 . 1 . . . . . 379 GLY CA . 50405 1 650 . 1 . 1 63 63 GLY N N 15 110.98 0.05 . 1 . . . . . 379 GLY N . 50405 1 651 . 1 . 1 64 64 VAL H H 1 7.93 0.01 . 1 . . . . . 380 VAL HN . 50405 1 652 . 1 . 1 64 64 VAL HA H 1 4.07 0.01 . 1 . . . . . 380 VAL HA . 50405 1 653 . 1 . 1 64 64 VAL HB H 1 2.06 0.01 . 1 . . . . . 380 VAL HB . 50405 1 654 . 1 . 1 64 64 VAL HG11 H 1 0.92 0.01 . 2 . . . . . 380 VAL HG1 . 50405 1 655 . 1 . 1 64 64 VAL HG12 H 1 0.92 0.01 . 2 . . . . . 380 VAL HG1 . 50405 1 656 . 1 . 1 64 64 VAL HG13 H 1 0.92 0.01 . 2 . . . . . 380 VAL HG1 . 50405 1 657 . 1 . 1 64 64 VAL HG21 H 1 0.93 0.01 . 2 . . . . . 380 VAL HG2 . 50405 1 658 . 1 . 1 64 64 VAL HG22 H 1 0.93 0.01 . 2 . . . . . 380 VAL HG2 . 50405 1 659 . 1 . 1 64 64 VAL HG23 H 1 0.93 0.01 . 2 . . . . . 380 VAL HG2 . 50405 1 660 . 1 . 1 64 64 VAL CA C 13 62.02 0.05 . 1 . . . . . 380 VAL CA . 50405 1 661 . 1 . 1 64 64 VAL CB C 13 32.22 0.05 . 1 . . . . . 380 VAL CB . 50405 1 662 . 1 . 1 64 64 VAL CG1 C 13 20.77 0.05 . 2 . . . . . 380 VAL CG1 . 50405 1 663 . 1 . 1 64 64 VAL CG2 C 13 20.16 0.05 . 2 . . . . . 380 VAL CG2 . 50405 1 664 . 1 . 1 64 64 VAL N N 15 119.21 0.05 . 1 . . . . . 380 VAL N . 50405 1 665 . 1 . 1 65 65 LYS H H 1 8.39 0.01 . 1 . . . . . 381 LYS HN . 50405 1 666 . 1 . 1 65 65 LYS HA H 1 4.57 0.01 . 1 . . . . . 381 LYS HA . 50405 1 667 . 1 . 1 65 65 LYS HB2 H 1 1.64 0.01 . 2 . . . . . 381 LYS HB1 . 50405 1 668 . 1 . 1 65 65 LYS HB3 H 1 1.52 0.01 . 2 . . . . . 381 LYS HB2 . 50405 1 669 . 1 . 1 65 65 LYS CA C 13 53.48 0.05 . 1 . . . . . 381 LYS CA . 50405 1 670 . 1 . 1 65 65 LYS CB C 13 32.92 0.05 . 1 . . . . . 381 LYS CB . 50405 1 671 . 1 . 1 65 65 LYS N N 15 125.86 0.05 . 1 . . . . . 381 LYS N . 50405 1 672 . 1 . 1 66 66 PRO HA H 1 4.34 0.01 . 1 . . . . . 382 PRO HA . 50405 1 673 . 1 . 1 66 66 PRO HB2 H 1 2.00 0.01 . 2 . . . . . 382 PRO HB1 . 50405 1 674 . 1 . 1 66 66 PRO HB3 H 1 1.32 0.01 . 2 . . . . . 382 PRO HB2 . 50405 1 675 . 1 . 1 66 66 PRO HG2 H 1 1.87 0.01 . 2 . . . . . 382 PRO HG1 . 50405 1 676 . 1 . 1 66 66 PRO HG3 H 1 1.64 0.01 . 2 . . . . . 382 PRO HG2 . 50405 1 677 . 1 . 1 66 66 PRO HD2 H 1 3.78 0.01 . 2 . . . . . 382 PRO HD1 . 50405 1 678 . 1 . 1 66 66 PRO HD3 H 1 3.68 0.01 . 2 . . . . . 382 PRO HD2 . 50405 1 679 . 1 . 1 66 66 PRO CA C 13 62.84 0.05 . 1 . . . . . 382 PRO CA . 50405 1 680 . 1 . 1 66 66 PRO CB C 13 31.93 0.05 . 1 . . . . . 382 PRO CB . 50405 1 681 . 1 . 1 66 66 PRO CG C 13 26.08 0.05 . 1 . . . . . 382 PRO CG . 50405 1 682 . 1 . 1 66 66 PRO CD C 13 50.06 0.05 . 1 . . . . . 382 PRO CD . 50405 1 683 . 1 . 1 67 67 PHE H H 1 8.02 0.01 . 1 . . . . . 383 PHE HN . 50405 1 684 . 1 . 1 67 67 PHE HA H 1 4.70 0.01 . 1 . . . . . 383 PHE HA . 50405 1 685 . 1 . 1 67 67 PHE HB2 H 1 3.08 0.01 . 2 . . . . . 383 PHE HB1 . 50405 1 686 . 1 . 1 67 67 PHE HB3 H 1 2.94 0.01 . 2 . . . . . 383 PHE HB2 . 50405 1 687 . 1 . 1 67 67 PHE CA C 13 56.92 0.05 . 1 . . . . . 383 PHE CA . 50405 1 688 . 1 . 1 67 67 PHE CB C 13 39.22 0.05 . 1 . . . . . 383 PHE CB . 50405 1 689 . 1 . 1 67 67 PHE N N 15 118.48 0.05 . 1 . . . . . 383 PHE N . 50405 1 690 . 1 . 1 68 68 GLN H H 1 8.81 0.01 . 1 . . . . . 384 GLN HN . 50405 1 691 . 1 . 1 68 68 GLN HA H 1 5.20 0.01 . 1 . . . . . 384 GLN HA . 50405 1 692 . 1 . 1 68 68 GLN HB2 H 1 1.98 0.01 . 2 . . . . . 384 GLN HB1 . 50405 1 693 . 1 . 1 68 68 GLN HB3 H 1 1.74 0.01 . 2 . . . . . 384 GLN HB2 . 50405 1 694 . 1 . 1 68 68 GLN HG2 H 1 2.07 0.01 . 2 . . . . . 384 GLN HG1 . 50405 1 695 . 1 . 1 68 68 GLN HG3 H 1 1.99 0.01 . 2 . . . . . 384 GLN HG2 . 50405 1 696 . 1 . 1 68 68 GLN CA C 13 53.87 0.05 . 1 . . . . . 384 GLN CA . 50405 1 697 . 1 . 1 68 68 GLN CB C 13 31.72 0.05 . 1 . . . . . 384 GLN CB . 50405 1 698 . 1 . 1 68 68 GLN CG C 13 33.16 0.05 . 1 . . . . . 384 GLN CG . 50405 1 699 . 1 . 1 68 68 GLN N N 15 123.84 0.05 . 1 . . . . . 384 GLN N . 50405 1 700 . 1 . 1 69 69 CYS H H 1 9.15 0.01 . 1 . . . . . 385 CYS HN . 50405 1 701 . 1 . 1 69 69 CYS HA H 1 4.56 0.01 . 1 . . . . . 385 CYS HA . 50405 1 702 . 1 . 1 69 69 CYS HB2 H 1 3.39 0.01 . 2 . . . . . 385 CYS HB1 . 50405 1 703 . 1 . 1 69 69 CYS HB3 H 1 2.89 0.01 . 2 . . . . . 385 CYS HB2 . 50405 1 704 . 1 . 1 69 69 CYS CA C 13 59.10 0.05 . 1 . . . . . 385 CYS CA . 50405 1 705 . 1 . 1 69 69 CYS CB C 13 29.40 0.05 . 1 . . . . . 385 CYS CB . 50405 1 706 . 1 . 1 69 69 CYS N N 15 128.33 0.05 . 1 . . . . . 385 CYS N . 50405 1 707 . 1 . 1 70 70 LYS H H 1 9.27 0.01 . 1 . . . . . 386 LYS HN . 50405 1 708 . 1 . 1 70 70 LYS HA H 1 4.25 0.01 . 1 . . . . . 386 LYS HA . 50405 1 709 . 1 . 1 70 70 LYS HB2 H 1 1.95 0.01 . 2 . . . . . 386 LYS HB . 50405 1 710 . 1 . 1 70 70 LYS HB3 H 1 1.95 0.01 . 2 . . . . . 386 LYS HB . 50405 1 711 . 1 . 1 70 70 LYS HG2 H 1 1.63 0.01 . 2 . . . . . 386 LYS HG1 . 50405 1 712 . 1 . 1 70 70 LYS HG3 H 1 1.59 0.01 . 2 . . . . . 386 LYS HG2 . 50405 1 713 . 1 . 1 70 70 LYS HD2 H 1 1.74 0.01 . 2 . . . . . 386 LYS HD . 50405 1 714 . 1 . 1 70 70 LYS HD3 H 1 1.74 0.01 . 2 . . . . . 386 LYS HD . 50405 1 715 . 1 . 1 70 70 LYS CA C 13 57.83 0.05 . 1 . . . . . 386 LYS CA . 50405 1 716 . 1 . 1 70 70 LYS CB C 13 31.84 0.05 . 1 . . . . . 386 LYS CB . 50405 1 717 . 1 . 1 70 70 LYS CG C 13 24.70 0.05 . 1 . . . . . 386 LYS CG . 50405 1 718 . 1 . 1 70 70 LYS CD C 13 28.55 0.05 . 1 . . . . . 386 LYS CD . 50405 1 719 . 1 . 1 70 70 LYS N N 15 131.19 0.05 . 1 . . . . . 386 LYS N . 50405 1 720 . 1 . 1 71 71 THR H H 1 8.87 0.01 . 1 . . . . . 387 THR HN . 50405 1 721 . 1 . 1 71 71 THR HA H 1 4.08 0.01 . 1 . . . . . 387 THR HA . 50405 1 722 . 1 . 1 71 71 THR HB H 1 3.34 0.01 . 1 . . . . . 387 THR HB . 50405 1 723 . 1 . 1 71 71 THR HG21 H 1 0.60 0.01 . 1 . . . . . 387 THR HG2 . 50405 1 724 . 1 . 1 71 71 THR HG22 H 1 0.60 0.01 . 1 . . . . . 387 THR HG2 . 50405 1 725 . 1 . 1 71 71 THR HG23 H 1 0.60 0.01 . 1 . . . . . 387 THR HG2 . 50405 1 726 . 1 . 1 71 71 THR CA C 13 65.32 0.05 . 1 . . . . . 387 THR CA . 50405 1 727 . 1 . 1 71 71 THR CB C 13 68.53 0.05 . 1 . . . . . 387 THR CB . 50405 1 728 . 1 . 1 71 71 THR CG2 C 13 20.46 0.05 . 1 . . . . . 387 THR CG2 . 50405 1 729 . 1 . 1 71 71 THR N N 15 118.64 0.05 . 1 . . . . . 387 THR N . 50405 1 730 . 1 . 1 72 72 CYS H H 1 8.16 0.01 . 1 . . . . . 388 CYS HN . 50405 1 731 . 1 . 1 72 72 CYS HA H 1 5.16 0.01 . 1 . . . . . 388 CYS HA . 50405 1 732 . 1 . 1 72 72 CYS HB2 H 1 3.46 0.01 . 2 . . . . . 388 CYS HB1 . 50405 1 733 . 1 . 1 72 72 CYS HB3 H 1 2.76 0.01 . 2 . . . . . 388 CYS HB2 . 50405 1 734 . 1 . 1 72 72 CYS CA C 13 58.00 0.05 . 1 . . . . . 388 CYS CA . 50405 1 735 . 1 . 1 72 72 CYS CB C 13 31.70 0.05 . 1 . . . . . 388 CYS CB . 50405 1 736 . 1 . 1 72 72 CYS N N 15 118.93 0.05 . 1 . . . . . 388 CYS N . 50405 1 737 . 1 . 1 73 73 GLN H H 1 7.88 0.01 . 1 . . . . . 389 GLN HN . 50405 1 738 . 1 . 1 73 73 GLN HA H 1 4.17 0.01 . 1 . . . . . 389 GLN HA . 50405 1 739 . 1 . 1 73 73 GLN HB2 H 1 2.50 0.01 . 2 . . . . . 389 GLN HB1 . 50405 1 740 . 1 . 1 73 73 GLN HB3 H 1 2.27 0.01 . 2 . . . . . 389 GLN HB2 . 50405 1 741 . 1 . 1 73 73 GLN HG2 H 1 2.28 0.01 . 2 . . . . . 389 GLN HG1 . 50405 1 742 . 1 . 1 73 73 GLN HG3 H 1 2.22 0.01 . 2 . . . . . 389 GLN HG2 . 50405 1 743 . 1 . 1 73 73 GLN CA C 13 58.12 0.05 . 1 . . . . . 389 GLN CA . 50405 1 744 . 1 . 1 73 73 GLN CB C 13 25.58 0.05 . 1 . . . . . 389 GLN CB . 50405 1 745 . 1 . 1 73 73 GLN CG C 13 33.97 0.05 . 1 . . . . . 389 GLN CG . 50405 1 746 . 1 . 1 73 73 GLN N N 15 115.15 0.05 . 1 . . . . . 389 GLN N . 50405 1 747 . 1 . 1 74 74 ARG H H 1 8.09 0.01 . 1 . . . . . 390 ARG HN . 50405 1 748 . 1 . 1 74 74 ARG HA H 1 4.03 0.01 . 1 . . . . . 390 ARG HA . 50405 1 749 . 1 . 1 74 74 ARG HB2 H 1 1.47 0.01 . 2 . . . . . 390 ARG HB1 . 50405 1 750 . 1 . 1 74 74 ARG HB3 H 1 1.29 0.01 . 2 . . . . . 390 ARG HB2 . 50405 1 751 . 1 . 1 74 74 ARG HG2 H 1 1.81 0.01 . 2 . . . . . 390 ARG HG1 . 50405 1 752 . 1 . 1 74 74 ARG HD2 H 1 3.08 0.01 . 2 . . . . . 390 ARG HD1 . 50405 1 753 . 1 . 1 74 74 ARG HD3 H 1 2.88 0.01 . 2 . . . . . 390 ARG HD2 . 50405 1 754 . 1 . 1 74 74 ARG CA C 13 57.85 0.05 . 1 . . . . . 390 ARG CA . 50405 1 755 . 1 . 1 74 74 ARG CB C 13 30.88 0.05 . 1 . . . . . 390 ARG CB . 50405 1 756 . 1 . 1 74 74 ARG CG C 13 27.7 0.1 . 1 . . . . . 390 ARG CG . 50405 1 757 . 1 . 1 74 74 ARG CD C 13 43.0 0.1 . 1 . . . . . 390 ARG CD . 50405 1 758 . 1 . 1 74 74 ARG N N 15 122.90 0.05 . 1 . . . . . 390 ARG N . 50405 1 759 . 1 . 1 75 75 LYS H H 1 8.05 0.01 . 1 . . . . . 391 LYS HN . 50405 1 760 . 1 . 1 75 75 LYS HA H 1 5.06 0.01 . 1 . . . . . 391 LYS HA . 50405 1 761 . 1 . 1 75 75 LYS HB2 H 1 1.77 0.01 . 2 . . . . . 391 LYS HB1 . 50405 1 762 . 1 . 1 75 75 LYS HB3 H 1 1.49 0.01 . 2 . . . . . 391 LYS HB2 . 50405 1 763 . 1 . 1 75 75 LYS HG2 H 1 1.39 0.01 . 2 . . . . . 391 LYS HG1 . 50405 1 764 . 1 . 1 75 75 LYS HG3 H 1 1.12 0.01 . 2 . . . . . 391 LYS HG2 . 50405 1 765 . 1 . 1 75 75 LYS HD2 H 1 1.65 0.01 . 2 . . . . . 391 LYS HD . 50405 1 766 . 1 . 1 75 75 LYS HD3 H 1 1.65 0.01 . 2 . . . . . 391 LYS HD . 50405 1 767 . 1 . 1 75 75 LYS HE2 H 1 2.93 0.01 . 2 . . . . . 391 LYS HE . 50405 1 768 . 1 . 1 75 75 LYS HE3 H 1 2.93 0.01 . 2 . . . . . 391 LYS HE . 50405 1 769 . 1 . 1 75 75 LYS CA C 13 54.80 0.05 . 1 . . . . . 391 LYS CA . 50405 1 770 . 1 . 1 75 75 LYS CB C 13 34.98 0.05 . 1 . . . . . 391 LYS CB . 50405 1 771 . 1 . 1 75 75 LYS CG C 13 24.89 0.05 . 1 . . . . . 391 LYS CG . 50405 1 772 . 1 . 1 75 75 LYS CD C 13 28.82 0.1 . 1 . . . . . 391 LYS CD . 50405 1 773 . 1 . 1 75 75 LYS CE C 13 41.5 0.1 . 1 . . . . . 391 LYS CE . 50405 1 774 . 1 . 1 75 75 LYS N N 15 120.56 0.05 . 1 . . . . . 391 LYS N . 50405 1 775 . 1 . 1 76 76 PHE H H 1 8.86 0.01 . 1 . . . . . 392 PHE HN . 50405 1 776 . 1 . 1 76 76 PHE HA H 1 4.84 0.01 . 1 . . . . . 392 PHE HA . 50405 1 777 . 1 . 1 76 76 PHE HB2 H 1 3.60 0.01 . 2 . . . . . 392 PHE HB1 . 50405 1 778 . 1 . 1 76 76 PHE HB3 H 1 2.60 0.01 . 2 . . . . . 392 PHE HB2 . 50405 1 779 . 1 . 1 76 76 PHE HD1 H 1 7.21 0.01 . 3 . . . . . 392 PHE HD . 50405 1 780 . 1 . 1 76 76 PHE HD2 H 1 7.21 0.01 . 3 . . . . . 392 PHE HD . 50405 1 781 . 1 . 1 76 76 PHE HE1 H 1 6.80 0.01 . 3 . . . . . 392 PHE HE . 50405 1 782 . 1 . 1 76 76 PHE HE2 H 1 6.80 0.01 . 3 . . . . . 392 PHE HE . 50405 1 783 . 1 . 1 76 76 PHE HZ H 1 5.98 0.01 . 1 . . . . . 392 PHE HZ . 50405 1 784 . 1 . 1 76 76 PHE CA C 13 56.70 0.05 . 1 . . . . . 392 PHE CA . 50405 1 785 . 1 . 1 76 76 PHE CB C 13 43.69 0.05 . 1 . . . . . 392 PHE CB . 50405 1 786 . 1 . 1 76 76 PHE CD1 C 13 131.56 0.05 . 3 . . . . . 392 PHE CD . 50405 1 787 . 1 . 1 76 76 PHE CD2 C 13 131.56 0.05 . 3 . . . . . 392 PHE CD . 50405 1 788 . 1 . 1 76 76 PHE CE1 C 13 130.09 0.05 . 3 . . . . . 392 PHE CE . 50405 1 789 . 1 . 1 76 76 PHE CE2 C 13 130.09 0.05 . 3 . . . . . 392 PHE CE . 50405 1 790 . 1 . 1 76 76 PHE CZ C 13 128.04 0.05 . 1 . . . . . 392 PHE CZ . 50405 1 791 . 1 . 1 76 76 PHE N N 15 117.07 0.05 . 1 . . . . . 392 PHE N . 50405 1 792 . 1 . 1 77 77 SER H H 1 9.77 0.01 . 1 . . . . . 393 SER HN . 50405 1 793 . 1 . 1 77 77 SER HA H 1 4.73 0.01 . 1 . . . . . 393 SER HA . 50405 1 794 . 1 . 1 77 77 SER CA C 13 59.74 0.05 . 1 . . . . . 393 SER CA . 50405 1 795 . 1 . 1 77 77 SER CB C 13 63.9 0.1 . 1 . . . . . 393 SER CB . 50405 1 796 . 1 . 1 77 77 SER N N 15 116.60 0.05 . 1 . . . . . 393 SER N . 50405 1 797 . 1 . 1 78 78 ARG H H 1 7.26 0.01 . 1 . . . . . 394 ARG HN . 50405 1 798 . 1 . 1 78 78 ARG HA H 1 4.66 0.01 . 1 . . . . . 394 ARG HA . 50405 1 799 . 1 . 1 78 78 ARG HB2 H 1 1.92 0.01 . 2 . . . . . 394 ARG HB1 . 50405 1 800 . 1 . 1 78 78 ARG HB3 H 1 0.95 0.01 . 2 . . . . . 394 ARG HB2 . 50405 1 801 . 1 . 1 78 78 ARG CA C 13 53.91 0.05 . 1 . . . . . 394 ARG CA . 50405 1 802 . 1 . 1 78 78 ARG CB C 13 34.31 0.05 . 1 . . . . . 394 ARG CB . 50405 1 803 . 1 . 1 78 78 ARG N N 15 117.20 0.05 . 1 . . . . . 394 ARG N . 50405 1 804 . 1 . 1 79 79 SER H H 1 8.48 0.01 . 1 . . . . . 395 SER HN . 50405 1 805 . 1 . 1 79 79 SER CA C 13 60.2 0.1 . 1 . . . . . 395 SER CA . 50405 1 806 . 1 . 1 79 79 SER CB C 13 61.6 0.1 . 1 . . . . . 395 SER CB . 50405 1 807 . 1 . 1 79 79 SER N N 15 119.13 0.05 . 1 . . . . . 395 SER N . 50405 1 808 . 1 . 1 81 81 HIS H H 1 7.08 0.01 . 1 . . . . . 397 HIS HN . 50405 1 809 . 1 . 1 81 81 HIS HA H 1 4.47 0.01 . 1 . . . . . 397 HIS HA . 50405 1 810 . 1 . 1 81 81 HIS HB2 H 1 3.29 0.01 . 2 . . . . . 397 HIS HB1 . 50405 1 811 . 1 . 1 81 81 HIS HB3 H 1 3.22 0.01 . 2 . . . . . 397 HIS HB2 . 50405 1 812 . 1 . 1 81 81 HIS HD2 H 1 6.93 0.01 . 1 . . . . . 397 HIS HD2 . 50405 1 813 . 1 . 1 81 81 HIS HE1 H 1 7.79 0.01 . 1 . . . . . 397 HIS HE1 . 50405 1 814 . 1 . 1 81 81 HIS CA C 13 56.47 0.05 . 1 . . . . . 397 HIS CA . 50405 1 815 . 1 . 1 81 81 HIS CB C 13 31.30 0.05 . 1 . . . . . 397 HIS CB . 50405 1 816 . 1 . 1 81 81 HIS CD2 C 13 116.85 0.05 . 1 . . . . . 397 HIS CD2 . 50405 1 817 . 1 . 1 81 81 HIS CE1 C 13 137.74 0.05 . 1 . . . . . 397 HIS CE1 . 50405 1 818 . 1 . 1 81 81 HIS N N 15 119.69 0.05 . 1 . . . . . 397 HIS N . 50405 1 819 . 1 . 1 82 82 LEU H H 1 7.05 0.01 . 1 . . . . . 398 LEU HN . 50405 1 820 . 1 . 1 82 82 LEU HA H 1 3.17 0.01 . 1 . . . . . 398 LEU HA . 50405 1 821 . 1 . 1 82 82 LEU HB2 H 1 1.93 0.01 . 2 . . . . . 398 LEU HB1 . 50405 1 822 . 1 . 1 82 82 LEU HB3 H 1 1.16 0.01 . 2 . . . . . 398 LEU HB2 . 50405 1 823 . 1 . 1 82 82 LEU HG H 1 1.57 0.01 . 1 . . . . . 398 LEU HG . 50405 1 824 . 1 . 1 82 82 LEU HD11 H 1 1.05 0.01 . 2 . . . . . 398 LEU HD1 . 50405 1 825 . 1 . 1 82 82 LEU HD12 H 1 1.05 0.01 . 2 . . . . . 398 LEU HD1 . 50405 1 826 . 1 . 1 82 82 LEU HD13 H 1 1.05 0.01 . 2 . . . . . 398 LEU HD1 . 50405 1 827 . 1 . 1 82 82 LEU HD21 H 1 0.96 0.01 . 2 . . . . . 398 LEU HD2 . 50405 1 828 . 1 . 1 82 82 LEU HD22 H 1 0.96 0.01 . 2 . . . . . 398 LEU HD2 . 50405 1 829 . 1 . 1 82 82 LEU HD23 H 1 0.96 0.01 . 2 . . . . . 398 LEU HD2 . 50405 1 830 . 1 . 1 82 82 LEU CA C 13 57.25 0.05 . 1 . . . . . 398 LEU CA . 50405 1 831 . 1 . 1 82 82 LEU CB C 13 39.89 0.05 . 1 . . . . . 398 LEU CB . 50405 1 832 . 1 . 1 82 82 LEU CG C 13 27.03 0.05 . 1 . . . . . 398 LEU CG . 50405 1 833 . 1 . 1 82 82 LEU CD1 C 13 26.18 0.05 . 2 . . . . . 398 LEU CD1 . 50405 1 834 . 1 . 1 82 82 LEU CD2 C 13 22.54 0.05 . 2 . . . . . 398 LEU CD2 . 50405 1 835 . 1 . 1 82 82 LEU N N 15 120.35 0.05 . 1 . . . . . 398 LEU N . 50405 1 836 . 1 . 1 83 83 LYS H H 1 8.12 0.01 . 1 . . . . . 399 LYS HN . 50405 1 837 . 1 . 1 83 83 LYS HA H 1 3.98 0.01 . 1 . . . . . 399 LYS HA . 50405 1 838 . 1 . 1 83 83 LYS HB2 H 1 1.87 0.01 . 1 . . . . . 399 LYS HB . 50405 1 839 . 1 . 1 83 83 LYS HB3 H 1 1.87 0.01 . 1 . . . . . 399 LYS HB . 50405 1 840 . 1 . 1 83 83 LYS HG2 H 1 1.45 0.01 . 2 . . . . . 399 LYS HG1 . 50405 1 841 . 1 . 1 83 83 LYS HG3 H 1 1.37 0.01 . 2 . . . . . 399 LYS HG2 . 50405 1 842 . 1 . 1 83 83 LYS HD2 H 1 1.65 0.01 . 2 . . . . . 399 LYS HD1 . 50405 1 843 . 1 . 1 83 83 LYS HD3 H 1 1.76 0.01 . 2 . . . . . 399 LYS HD2 . 50405 1 844 . 1 . 1 83 83 LYS HE2 H 1 2.91 0.01 . 2 . . . . . 399 LYS HE . 50405 1 845 . 1 . 1 83 83 LYS HE3 H 1 2.91 0.01 . 2 . . . . . 399 LYS HE . 50405 1 846 . 1 . 1 83 83 LYS CA C 13 59.64 0.05 . 1 . . . . . 399 LYS CA . 50405 1 847 . 1 . 1 83 83 LYS CB C 13 31.58 0.05 . 1 . . . . . 399 LYS CB . 50405 1 848 . 1 . 1 83 83 LYS CG C 13 24.52 0.05 . 1 . . . . . 399 LYS CG . 50405 1 849 . 1 . 1 83 83 LYS CD C 13 28.6 0.1 . 1 . . . . . 399 LYS CD . 50405 1 850 . 1 . 1 83 83 LYS CE C 13 41.6 0.1 . 1 . . . . . 399 LYS CE . 50405 1 851 . 1 . 1 83 83 LYS N N 15 121.02 0.05 . 1 . . . . . 399 LYS N . 50405 1 852 . 1 . 1 84 84 THR H H 1 8.08 0.01 . 1 . . . . . 400 THR HN . 50405 1 853 . 1 . 1 84 84 THR HA H 1 3.81 0.01 . 1 . . . . . 400 THR HA . 50405 1 854 . 1 . 1 84 84 THR HB H 1 4.09 0.01 . 1 . . . . . 400 THR HB . 50405 1 855 . 1 . 1 84 84 THR HG21 H 1 1.21 0.01 . 1 . . . . . 400 THR HG2 . 50405 1 856 . 1 . 1 84 84 THR HG22 H 1 1.21 0.01 . 1 . . . . . 400 THR HG2 . 50405 1 857 . 1 . 1 84 84 THR HG23 H 1 1.21 0.01 . 1 . . . . . 400 THR HG2 . 50405 1 858 . 1 . 1 84 84 THR CA C 13 65.88 0.05 . 1 . . . . . 400 THR CA . 50405 1 859 . 1 . 1 84 84 THR CB C 13 68.18 0.05 . 1 . . . . . 400 THR CB . 50405 1 860 . 1 . 1 84 84 THR CG2 C 13 21.58 0.05 . 1 . . . . . 400 THR CG2 . 50405 1 861 . 1 . 1 84 84 THR N N 15 115.59 0.05 . 1 . . . . . 400 THR N . 50405 1 862 . 1 . 1 85 85 HIS H H 1 7.74 0.01 . 1 . . . . . 401 HIS HN . 50405 1 863 . 1 . 1 85 85 HIS HA H 1 4.30 0.01 . 1 . . . . . 401 HIS HA . 50405 1 864 . 1 . 1 85 85 HIS HB2 H 1 3.08 0.01 . 2 . . . . . 401 HIS HB1 . 50405 1 865 . 1 . 1 85 85 HIS HB3 H 1 2.93 0.01 . 2 . . . . . 401 HIS HB2 . 50405 1 866 . 1 . 1 85 85 HIS HD2 H 1 6.91 0.01 . 1 . . . . . 401 HIS HD2 . 50405 1 867 . 1 . 1 85 85 HIS HE1 H 1 7.98 0.01 . 1 . . . . . 401 HIS HE1 . 50405 1 868 . 1 . 1 85 85 HIS CA C 13 58.88 0.05 . 1 . . . . . 401 HIS CA . 50405 1 869 . 1 . 1 85 85 HIS CB C 13 27.97 0.05 . 1 . . . . . 401 HIS CB . 50405 1 870 . 1 . 1 85 85 HIS CD2 C 13 127.00 0.05 . 1 . . . . . 401 HIS CD2 . 50405 1 871 . 1 . 1 85 85 HIS CE1 C 13 138.13 0.05 . 1 . . . . . 401 HIS CE1 . 50405 1 872 . 1 . 1 85 85 HIS N N 15 120.80 0.05 . 1 . . . . . 401 HIS N . 50405 1 873 . 1 . 1 86 86 THR H H 1 8.88 0.01 . 1 . . . . . 402 THR HN . 50405 1 874 . 1 . 1 86 86 THR HA H 1 3.70 0.01 . 1 . . . . . 402 THR HA . 50405 1 875 . 1 . 1 86 86 THR HB H 1 4.41 0.01 . 1 . . . . . 402 THR HB . 50405 1 876 . 1 . 1 86 86 THR HG21 H 1 1.55 0.01 . 1 . . . . . 402 THR HG2 . 50405 1 877 . 1 . 1 86 86 THR HG22 H 1 1.55 0.01 . 1 . . . . . 402 THR HG2 . 50405 1 878 . 1 . 1 86 86 THR HG23 H 1 1.55 0.01 . 1 . . . . . 402 THR HG2 . 50405 1 879 . 1 . 1 86 86 THR CA C 13 66.62 0.05 . 1 . . . . . 402 THR CA . 50405 1 880 . 1 . 1 86 86 THR CB C 13 68.57 0.05 . 1 . . . . . 402 THR CB . 50405 1 881 . 1 . 1 86 86 THR CG2 C 13 21.81 0.05 . 1 . . . . . 402 THR CG2 . 50405 1 882 . 1 . 1 86 86 THR N N 15 116.03 0.05 . 1 . . . . . 402 THR N . 50405 1 883 . 1 . 1 87 87 ARG H H 1 7.13 0.01 . 1 . . . . . 403 ARG HN . 50405 1 884 . 1 . 1 87 87 ARG HA H 1 4.18 0.01 . 1 . . . . . 403 ARG HA . 50405 1 885 . 1 . 1 87 87 ARG HB2 H 1 1.95 0.01 . 2 . . . . . 403 ARG HB1 . 50405 1 886 . 1 . 1 87 87 ARG HB3 H 1 1.87 0.01 . 2 . . . . . 403 ARG HB2 . 50405 1 887 . 1 . 1 87 87 ARG HG2 H 1 1.70 0.01 . 2 . . . . . 403 ARG HG . 50405 1 888 . 1 . 1 87 87 ARG HG3 H 1 1.70 0.01 . 2 . . . . . 403 ARG HG . 50405 1 889 . 1 . 1 87 87 ARG HD2 H 1 3.23 0.01 . 2 . . . . . 403 ARG HD . 50405 1 890 . 1 . 1 87 87 ARG HD3 H 1 3.23 0.01 . 2 . . . . . 403 ARG HD . 50405 1 891 . 1 . 1 87 87 ARG CA C 13 57.98 0.05 . 1 . . . . . 403 ARG CA . 50405 1 892 . 1 . 1 87 87 ARG CB C 13 29.48 0.05 . 1 . . . . . 403 ARG CB . 50405 1 893 . 1 . 1 87 87 ARG CG C 13 27.0 0.1 . 1 . . . . . 403 ARG CG . 50405 1 894 . 1 . 1 87 87 ARG CD C 13 43.1 0.1 . 1 . . . . . 403 ARG CD . 50405 1 895 . 1 . 1 87 87 ARG N N 15 119.69 0.05 . 1 . . . . . 403 ARG N . 50405 1 896 . 1 . 1 88 88 THR H H 1 7.77 0.01 . 1 . . . . . 404 THR HN . 50405 1 897 . 1 . 1 88 88 THR HA H 1 4.13 0.01 . 1 . . . . . 404 THR HA . 50405 1 898 . 1 . 1 88 88 THR HB H 1 4.02 0.01 . 1 . . . . . 404 THR HB . 50405 1 899 . 1 . 1 88 88 THR HG21 H 1 1.16 0.01 . 1 . . . . . 404 THR HG2 . 50405 1 900 . 1 . 1 88 88 THR HG22 H 1 1.16 0.01 . 1 . . . . . 404 THR HG2 . 50405 1 901 . 1 . 1 88 88 THR HG23 H 1 1.16 0.01 . 1 . . . . . 404 THR HG2 . 50405 1 902 . 1 . 1 88 88 THR CA C 13 63.46 0.05 . 1 . . . . . 404 THR CA . 50405 1 903 . 1 . 1 88 88 THR CB C 13 68.88 0.05 . 1 . . . . . 404 THR CB . 50405 1 904 . 1 . 1 88 88 THR CG2 C 13 20.47 0.05 . 1 . . . . . 404 THR CG2 . 50405 1 905 . 1 . 1 88 88 THR N N 15 109.88 0.05 . 1 . . . . . 404 THR N . 50405 1 906 . 1 . 1 89 89 HIS H H 1 7.23 0.01 . 1 . . . . . 405 HIS HN . 50405 1 907 . 1 . 1 89 89 HIS HA H 1 4.95 0.01 . 1 . . . . . 405 HIS HA . 50405 1 908 . 1 . 1 89 89 HIS HB2 H 1 3.30 0.01 . 2 . . . . . 405 HIS HB . 50405 1 909 . 1 . 1 89 89 HIS HB3 H 1 3.30 0.01 . 2 . . . . . 405 HIS HB . 50405 1 910 . 1 . 1 89 89 HIS HD2 H 1 6.72 0.01 . 1 . . . . . 405 HIS HD2 . 50405 1 911 . 1 . 1 89 89 HIS HE1 H 1 8.07 0.01 . 1 . . . . . 405 HIS HE1 . 50405 1 912 . 1 . 1 89 89 HIS CA C 13 54.82 0.05 . 1 . . . . . 405 HIS CA . 50405 1 913 . 1 . 1 89 89 HIS CB C 13 28.15 0.05 . 1 . . . . . 405 HIS CB . 50405 1 914 . 1 . 1 89 89 HIS CD2 C 13 126.73 0.05 . 1 . . . . . 405 HIS CD2 . 50405 1 915 . 1 . 1 89 89 HIS CE1 C 13 138.80 0.05 . 1 . . . . . 405 HIS CE1 . 50405 1 916 . 1 . 1 89 89 HIS N N 15 118.18 0.05 . 1 . . . . . 405 HIS N . 50405 1 917 . 1 . 1 90 90 THR H H 1 7.80 0.01 . 1 . . . . . 406 THR HN . 50405 1 918 . 1 . 1 90 90 THR HA H 1 4.32 0.01 . 1 . . . . . 406 THR HA . 50405 1 919 . 1 . 1 90 90 THR HB H 1 4.25 0.01 . 1 . . . . . 406 THR HB . 50405 1 920 . 1 . 1 90 90 THR HG21 H 1 1.17 0.01 . 1 . . . . . 406 THR HG2 . 50405 1 921 . 1 . 1 90 90 THR HG22 H 1 1.17 0.01 . 1 . . . . . 406 THR HG2 . 50405 1 922 . 1 . 1 90 90 THR HG23 H 1 1.17 0.01 . 1 . . . . . 406 THR HG2 . 50405 1 923 . 1 . 1 90 90 THR CA C 13 62.18 0.05 . 1 . . . . . 406 THR CA . 50405 1 924 . 1 . 1 90 90 THR CB C 13 69.32 0.05 . 1 . . . . . 406 THR CB . 50405 1 925 . 1 . 1 90 90 THR CG2 C 13 20.83 0.05 . 1 . . . . . 406 THR CG2 . 50405 1 926 . 1 . 1 90 90 THR N N 15 113.28 0.05 . 1 . . . . . 406 THR N . 50405 1 927 . 1 . 1 91 91 GLY H H 1 8.25 0.01 . 1 . . . . . 407 GLY HN . 50405 1 928 . 1 . 1 91 91 GLY HA2 H 1 3.99 0.01 . 1 . . . . . 407 GLY HA . 50405 1 929 . 1 . 1 91 91 GLY HA3 H 1 3.99 0.01 . 1 . . . . . 407 GLY HA . 50405 1 930 . 1 . 1 91 91 GLY CA C 13 44.73 0.05 . 1 . . . . . 407 GLY CA . 50405 1 931 . 1 . 1 91 91 GLY N N 15 110.27 0.05 . 1 . . . . . 407 GLY N . 50405 1 932 . 1 . 1 92 92 GLU H H 1 8.05 0.01 . 1 . . . . . 408 GLU HN . 50405 1 933 . 1 . 1 92 92 GLU HA H 1 4.17 0.01 . 1 . . . . . 408 GLU HA . 50405 1 934 . 1 . 1 92 92 GLU HB2 H 1 1.96 0.01 . 2 . . . . . 408 GLU HB . 50405 1 935 . 1 . 1 92 92 GLU HB3 H 1 1.96 0.01 . 2 . . . . . 408 GLU HB . 50405 1 936 . 1 . 1 92 92 GLU HG2 H 1 2.26 0.01 . 2 . . . . . 408 GLU HG1 . 50405 1 937 . 1 . 1 92 92 GLU HG3 H 1 2.19 0.01 . 2 . . . . . 408 GLU HG2 . 50405 1 938 . 1 . 1 92 92 GLU CA C 13 56.40 0.05 . 1 . . . . . 408 GLU CA . 50405 1 939 . 1 . 1 92 92 GLU CB C 13 30.01 0.05 . 1 . . . . . 408 GLU CB . 50405 1 940 . 1 . 1 92 92 GLU CG C 13 35.98 0.05 . 1 . . . . . 408 GLU CG . 50405 1 941 . 1 . 1 92 92 GLU N N 15 120.24 0.05 . 1 . . . . . 408 GLU N . 50405 1 942 . 1 . 1 93 93 LYS H H 1 8.33 0.01 . 1 . . . . . 409 LYS HN . 50405 1 943 . 1 . 1 93 93 LYS HA H 1 4.54 0.01 . 1 . . . . . 409 LYS HA . 50405 1 944 . 1 . 1 93 93 LYS HB2 H 1 1.63 0.01 . 2 . . . . . 409 LYS HB1 . 50405 1 945 . 1 . 1 93 93 LYS HB3 H 1 1.36 0.01 . 2 . . . . . 409 LYS HB2 . 50405 1 946 . 1 . 1 93 93 LYS HG2 H 1 1.20 0.01 . 2 . . . . . 409 LYS HG1 . 50405 1 947 . 1 . 1 93 93 LYS HG3 H 1 1.12 0.01 . 2 . . . . . 409 LYS HG2 . 50405 1 948 . 1 . 1 93 93 LYS HD2 H 1 1.47 0.01 . 2 . . . . . 409 LYS HD1 . 50405 1 949 . 1 . 1 93 93 LYS HD3 H 1 1.45 0.01 . 2 . . . . . 409 LYS HD2 . 50405 1 950 . 1 . 1 93 93 LYS HE2 H 1 2.92 0.01 . 2 . . . . . 409 LYS HE . 50405 1 951 . 1 . 1 93 93 LYS HE3 H 1 2.92 0.01 . 2 . . . . . 409 LYS HE . 50405 1 952 . 1 . 1 93 93 LYS CA C 13 53.44 0.05 . 1 . . . . . 409 LYS CA . 50405 1 953 . 1 . 1 93 93 LYS CB C 13 33.17 0.05 . 1 . . . . . 409 LYS CB . 50405 1 954 . 1 . 1 93 93 LYS CD C 13 29.23 0.05 . 1 . . . . . 409 LYS CD . 50405 1 955 . 1 . 1 93 93 LYS N N 15 121.74 0.05 . 1 . . . . . 409 LYS N . 50405 1 956 . 1 . 1 94 94 PRO HA H 1 4.30 0.01 . 1 . . . . . 410 PRO HA . 50405 1 957 . 1 . 1 94 94 PRO HB2 H 1 2.00 0.01 . 2 . . . . . 410 PRO HB1 . 50405 1 958 . 1 . 1 94 94 PRO HB3 H 1 1.32 0.01 . 2 . . . . . 410 PRO HB2 . 50405 1 959 . 1 . 1 94 94 PRO HG2 H 1 1.87 0.01 . 2 . . . . . 410 PRO HG1 . 50405 1 960 . 1 . 1 94 94 PRO HG3 H 1 1.64 0.01 . 2 . . . . . 410 PRO HG2 . 50405 1 961 . 1 . 1 94 94 PRO HD2 H 1 3.78 0.01 . 2 . . . . . 410 PRO HD1 . 50405 1 962 . 1 . 1 94 94 PRO HD3 H 1 3.68 0.01 . 2 . . . . . 410 PRO HD2 . 50405 1 963 . 1 . 1 94 94 PRO CA C 13 63.16 0.05 . 1 . . . . . 410 PRO CA . 50405 1 964 . 1 . 1 94 94 PRO CB C 13 31.93 0.05 . 1 . . . . . 410 PRO CB . 50405 1 965 . 1 . 1 94 94 PRO CG C 13 26.08 0.05 . 1 . . . . . 410 PRO CG . 50405 1 966 . 1 . 1 94 94 PRO CD C 13 50.06 0.05 . 1 . . . . . 410 PRO CD . 50405 1 967 . 1 . 1 95 95 PHE H H 1 8.02 0.01 . 1 . . . . . 411 PHE HN . 50405 1 968 . 1 . 1 95 95 PHE HA H 1 4.74 0.01 . 1 . . . . . 411 PHE HA . 50405 1 969 . 1 . 1 95 95 PHE HB2 H 1 3.08 0.01 . 2 . . . . . 411 PHE HB1 . 50405 1 970 . 1 . 1 95 95 PHE HB3 H 1 2.94 0.01 . 2 . . . . . 411 PHE HB2 . 50405 1 971 . 1 . 1 95 95 PHE CA C 13 56.98 0.05 . 1 . . . . . 411 PHE CA . 50405 1 972 . 1 . 1 95 95 PHE CB C 13 39.22 0.05 . 1 . . . . . 411 PHE CB . 50405 1 973 . 1 . 1 95 95 PHE N N 15 118.48 0.05 . 1 . . . . . 411 PHE N . 50405 1 974 . 1 . 1 97 97 CYS H H 1 8.53 0.01 . 1 . . . . . 413 CYS HN . 50405 1 975 . 1 . 1 97 97 CYS HA H 1 4.76 0.01 . 1 . . . . . 413 CYS HA . 50405 1 976 . 1 . 1 97 97 CYS HB2 H 1 3.17 0.01 . 2 . . . . . 413 CYS HB1 . 50405 1 977 . 1 . 1 97 97 CYS HB3 H 1 2.97 0.01 . 2 . . . . . 413 CYS HB2 . 50405 1 978 . 1 . 1 97 97 CYS CA C 13 60.29 0.05 . 1 . . . . . 413 CYS CA . 50405 1 979 . 1 . 1 97 97 CYS CB C 13 29.95 0.05 . 1 . . . . . 413 CYS CB . 50405 1 980 . 1 . 1 97 97 CYS N N 15 125.99 0.05 . 1 . . . . . 413 CYS N . 50405 1 981 . 1 . 1 98 98 ARG H H 1 10.42 0.01 . 1 . . . . . 414 ARG HN . 50405 1 982 . 1 . 1 98 98 ARG HA H 1 4.47 0.01 . 1 . . . . . 414 ARG HA . 50405 1 983 . 1 . 1 98 98 ARG HB2 H 1 1.93 0.01 . 2 . . . . . 414 ARG HB1 . 50405 1 984 . 1 . 1 98 98 ARG HB3 H 1 1.84 0.01 . 2 . . . . . 414 ARG HB2 . 50405 1 985 . 1 . 1 98 98 ARG HG2 H 1 1.31 0.01 . 2 . . . . . 414 ARG HG1 . 50405 1 986 . 1 . 1 98 98 ARG HG3 H 1 1.57 0.01 . 2 . . . . . 414 ARG HG2 . 50405 1 987 . 1 . 1 98 98 ARG HD2 H 1 2.96 0.01 . 2 . . . . . 414 ARG HD . 50405 1 988 . 1 . 1 98 98 ARG HD3 H 1 2.96 0.01 . 2 . . . . . 414 ARG HD . 50405 1 989 . 1 . 1 98 98 ARG CA C 13 56.10 0.05 . 1 . . . . . 414 ARG CA . 50405 1 990 . 1 . 1 98 98 ARG CB C 13 29.81 0.05 . 1 . . . . . 414 ARG CB . 50405 1 991 . 1 . 1 98 98 ARG CG C 13 26.3 0.1 . 1 . . . . . 414 ARG CG . 50405 1 992 . 1 . 1 98 98 ARG CD C 13 42.8 0.1 . 1 . . . . . 414 ARG CD . 50405 1 993 . 1 . 1 98 98 ARG N N 15 129.79 0.05 . 1 . . . . . 414 ARG N . 50405 1 994 . 1 . 1 99 99 TRP H H 1 9.73 0.01 . 1 . . . . . 415 TRP HN . 50405 1 995 . 1 . 1 99 99 TRP HA H 1 4.49 0.01 . 1 . . . . . 415 TRP HA . 50405 1 996 . 1 . 1 99 99 TRP HB2 H 1 3.10 0.01 . 2 . . . . . 415 TRP HB1 . 50405 1 997 . 1 . 1 99 99 TRP HB3 H 1 2.95 0.01 . 2 . . . . . 415 TRP HB2 . 50405 1 998 . 1 . 1 99 99 TRP HD1 H 1 6.84 0.01 . 1 . . . . . 415 TRP HD1 . 50405 1 999 . 1 . 1 99 99 TRP HE1 H 1 9.92 0.01 . 1 . . . . . 415 TRP HE1 . 50405 1 1000 . 1 . 1 99 99 TRP HE3 H 1 7.46 0.01 . 1 . . . . . 415 TRP HE3 . 50405 1 1001 . 1 . 1 99 99 TRP HZ2 H 1 7.37 0.01 . 1 . . . . . 415 TRP HZ2 . 50405 1 1002 . 1 . 1 99 99 TRP HZ3 H 1 6.91 0.01 . 1 . . . . . 415 TRP HZ3 . 50405 1 1003 . 1 . 1 99 99 TRP HH2 H 1 7.11 0.01 . 1 . . . . . 415 TRP HH2 . 50405 1 1004 . 1 . 1 99 99 TRP CA C 13 56.64 0.05 . 1 . . . . . 415 TRP CA . 50405 1 1005 . 1 . 1 99 99 TRP CB C 13 28.04 0.05 . 1 . . . . . 415 TRP CB . 50405 1 1006 . 1 . 1 99 99 TRP CD1 C 13 126.23 0.05 . 1 . . . . . 415 TRP CD1 . 50405 1 1007 . 1 . 1 99 99 TRP CE3 C 13 120.74 0.05 . 1 . . . . . 415 TRP CE3 . 50405 1 1008 . 1 . 1 99 99 TRP CZ2 C 13 114.57 0.05 . 1 . . . . . 415 TRP CZ2 . 50405 1 1009 . 1 . 1 99 99 TRP CZ3 C 13 121.74 0.05 . 1 . . . . . 415 TRP CZ3 . 50405 1 1010 . 1 . 1 99 99 TRP CH2 C 13 124.31 0.05 . 1 . . . . . 415 TRP CH2 . 50405 1 1011 . 1 . 1 99 99 TRP N N 15 130.04 0.05 . 1 . . . . . 415 TRP N . 50405 1 1012 . 1 . 1 99 99 TRP NE1 N 15 128.06 0.05 . 1 . . . . . 415 TRP NE1 . 50405 1 1013 . 1 . 1 100 100 PRO HA H 1 4.28 0.01 . 1 . . . . . 416 PRO HA . 50405 1 1014 . 1 . 1 100 100 PRO HB2 H 1 2.26 0.01 . 2 . . . . . 416 PRO HB1 . 50405 1 1015 . 1 . 1 100 100 PRO HB3 H 1 1.89 0.01 . 2 . . . . . 416 PRO HB2 . 50405 1 1016 . 1 . 1 100 100 PRO HG2 H 1 1.88 0.01 . 2 . . . . . 416 PRO HG . 50405 1 1017 . 1 . 1 100 100 PRO HG3 H 1 1.88 0.01 . 2 . . . . . 416 PRO HG . 50405 1 1018 . 1 . 1 100 100 PRO HD2 H 1 3.73 0.01 . 2 . . . . . 416 PRO HD1 . 50405 1 1019 . 1 . 1 100 100 PRO HD3 H 1 3.03 0.01 . 2 . . . . . 416 PRO HD2 . 50405 1 1020 . 1 . 1 100 100 PRO CA C 13 64.35 0.05 . 1 . . . . . 416 PRO CA . 50405 1 1021 . 1 . 1 100 100 PRO CB C 13 31.39 0.05 . 1 . . . . . 416 PRO CB . 50405 1 1022 . 1 . 1 100 100 PRO CG C 13 27.10 0.05 . 1 . . . . . 416 PRO CG . 50405 1 1023 . 1 . 1 100 100 PRO CD C 13 50.47 0.05 . 1 . . . . . 416 PRO CD . 50405 1 1024 . 1 . 1 101 101 SER H H 1 8.43 0.01 . 1 . . . . . 417 SER HN . 50405 1 1025 . 1 . 1 101 101 SER HA H 1 4.26 0.01 . 1 . . . . . 417 SER HA . 50405 1 1026 . 1 . 1 101 101 SER HB2 H 1 4.18 0.01 . 2 . . . . . 417 SER HB1 . 50405 1 1027 . 1 . 1 101 101 SER HB3 H 1 3.92 0.01 . 2 . . . . . 417 SER HB2 . 50405 1 1028 . 1 . 1 101 101 SER CA C 13 59.12 0.05 . 1 . . . . . 417 SER CA . 50405 1 1029 . 1 . 1 101 101 SER CB C 13 62.38 0.05 . 1 . . . . . 417 SER CB . 50405 1 1030 . 1 . 1 101 101 SER N N 15 112.59 0.05 . 1 . . . . . 417 SER N . 50405 1 1031 . 1 . 1 102 102 CYS H H 1 8.21 0.01 . 1 . . . . . 418 CYS HN . 50405 1 1032 . 1 . 1 102 102 CYS HA H 1 4.58 0.01 . 1 . . . . . 418 CYS HA . 50405 1 1033 . 1 . 1 102 102 CYS HB2 H 1 3.49 0.01 . 2 . . . . . 418 CYS HB1 . 50405 1 1034 . 1 . 1 102 102 CYS HB3 H 1 3.00 0.01 . 2 . . . . . 418 CYS HB2 . 50405 1 1035 . 1 . 1 102 102 CYS CA C 13 60.23 0.05 . 1 . . . . . 418 CYS CA . 50405 1 1036 . 1 . 1 102 102 CYS CB C 13 30.81 0.05 . 1 . . . . . 418 CYS CB . 50405 1 1037 . 1 . 1 102 102 CYS N N 15 125.59 0.05 . 1 . . . . . 418 CYS N . 50405 1 1038 . 1 . 1 103 103 GLN HA H 1 4.41 0.01 . 1 . . . . . 419 GLN HA . 50405 1 1039 . 1 . 1 103 103 GLN HB2 H 1 2.22 0.01 . 2 . . . . . 419 GLN HB1 . 50405 1 1040 . 1 . 1 103 103 GLN HB3 H 1 1.99 0.01 . 2 . . . . . 419 GLN HB2 . 50405 1 1041 . 1 . 1 103 103 GLN HG2 H 1 2.21 0.01 . 2 . . . . . 419 GLN HG . 50405 1 1042 . 1 . 1 103 103 GLN HG3 H 1 2.21 0.01 . 2 . . . . . 419 GLN HG . 50405 1 1043 . 1 . 1 103 103 GLN CA C 13 55.79 0.05 . 1 . . . . . 419 GLN CA . 50405 1 1044 . 1 . 1 103 103 GLN CB C 13 28.83 0.05 . 1 . . . . . 419 GLN CB . 50405 1 1045 . 1 . 1 103 103 GLN CG C 13 35.95 0.05 . 1 . . . . . 419 GLN CG . 50405 1 1046 . 1 . 1 104 104 LYS H H 1 8.20 0.01 . 1 . . . . . 420 LYS HN . 50405 1 1047 . 1 . 1 104 104 LYS HA H 1 3.96 0.01 . 1 . . . . . 420 LYS HA . 50405 1 1048 . 1 . 1 104 104 LYS HB2 H 1 1.50 0.01 . 2 . . . . . 420 LYS HB1 . 50405 1 1049 . 1 . 1 104 104 LYS HB3 H 1 1.21 0.01 . 2 . . . . . 420 LYS HB2 . 50405 1 1050 . 1 . 1 104 104 LYS HG2 H 1 1.39 0.01 . 2 . . . . . 420 LYS HG1 . 50405 1 1051 . 1 . 1 104 104 LYS HG3 H 1 1.33 0.01 . 2 . . . . . 420 LYS HG2 . 50405 1 1052 . 1 . 1 104 104 LYS HD2 H 1 1.55 0.01 . 2 . . . . . 420 LYS HD1 . 50405 1 1053 . 1 . 1 104 104 LYS HD3 H 1 1.48 0.01 . 2 . . . . . 420 LYS HD2 . 50405 1 1054 . 1 . 1 104 104 LYS HE2 H 1 2.96 0.01 . 2 . . . . . 420 LYS HE . 50405 1 1055 . 1 . 1 104 104 LYS HE3 H 1 2.96 0.01 . 2 . . . . . 420 LYS HE . 50405 1 1056 . 1 . 1 104 104 LYS CA C 13 57.33 0.05 . 1 . . . . . 420 LYS CA . 50405 1 1057 . 1 . 1 104 104 LYS CB C 13 32.58 0.05 . 1 . . . . . 420 LYS CB . 50405 1 1058 . 1 . 1 104 104 LYS CG C 13 25.75 0.05 . 1 . . . . . 420 LYS CG . 50405 1 1059 . 1 . 1 104 104 LYS CD C 13 27.95 0.05 . 1 . . . . . 420 LYS CD . 50405 1 1060 . 1 . 1 104 104 LYS CE C 13 41.8 0.1 . 1 . . . . . 420 LYS CE . 50405 1 1061 . 1 . 1 104 104 LYS N N 15 122.04 0.05 . 1 . . . . . 420 LYS N . 50405 1 1062 . 1 . 1 105 105 LYS H H 1 7.50 0.01 . 1 . . . . . 421 LYS HN . 50405 1 1063 . 1 . 1 105 105 LYS HA H 1 5.05 0.01 . 1 . . . . . 421 LYS HA . 50405 1 1064 . 1 . 1 105 105 LYS HB2 H 1 1.75 0.01 . 2 . . . . . 421 LYS HB1 . 50405 1 1065 . 1 . 1 105 105 LYS HB3 H 1 1.39 0.01 . 2 . . . . . 421 LYS HB2 . 50405 1 1066 . 1 . 1 105 105 LYS HG2 H 1 1.37 0.01 . 2 . . . . . 421 LYS HG1 . 50405 1 1067 . 1 . 1 105 105 LYS HG3 H 1 1.34 0.01 . 2 . . . . . 421 LYS HG2 . 50405 1 1068 . 1 . 1 105 105 LYS HD2 H 1 1.62 0.01 . 2 . . . . . 421 LYS HD . 50405 1 1069 . 1 . 1 105 105 LYS HD3 H 1 1.62 0.01 . 2 . . . . . 421 LYS HD . 50405 1 1070 . 1 . 1 105 105 LYS HE2 H 1 2.95 0.01 . 2 . . . . . 421 LYS HE . 50405 1 1071 . 1 . 1 105 105 LYS HE3 H 1 2.95 0.01 . 2 . . . . . 421 LYS HE . 50405 1 1072 . 1 . 1 105 105 LYS CA C 13 53.93 0.05 . 1 . . . . . 421 LYS CA . 50405 1 1073 . 1 . 1 105 105 LYS CB C 13 35.53 0.05 . 1 . . . . . 421 LYS CB . 50405 1 1074 . 1 . 1 105 105 LYS CG C 13 24.19 0.05 . 1 . . . . . 421 LYS CG . 50405 1 1075 . 1 . 1 105 105 LYS CD C 13 28.6 0.1 . 1 . . . . . 421 LYS CD . 50405 1 1076 . 1 . 1 105 105 LYS CE C 13 41.8 0.1 . 1 . . . . . 421 LYS CE . 50405 1 1077 . 1 . 1 105 105 LYS N N 15 118.95 0.05 . 1 . . . . . 421 LYS N . 50405 1 1078 . 1 . 1 106 106 PHE H H 1 8.83 0.01 . 1 . . . . . 422 PHE HN . 50405 1 1079 . 1 . 1 106 106 PHE HA H 1 4.74 0.01 . 1 . . . . . 422 PHE HA . 50405 1 1080 . 1 . 1 106 106 PHE HB2 H 1 3.58 0.01 . 2 . . . . . 422 PHE HB1 . 50405 1 1081 . 1 . 1 106 106 PHE HB3 H 1 2.56 0.01 . 2 . . . . . 422 PHE HB2 . 50405 1 1082 . 1 . 1 106 106 PHE HD1 H 1 7.09 0.01 . 3 . . . . . 422 PHE HD . 50405 1 1083 . 1 . 1 106 106 PHE HD2 H 1 7.09 0.01 . 3 . . . . . 422 PHE HD . 50405 1 1084 . 1 . 1 106 106 PHE HE1 H 1 6.83 0.01 . 3 . . . . . 422 PHE HE . 50405 1 1085 . 1 . 1 106 106 PHE HE2 H 1 6.83 0.01 . 3 . . . . . 422 PHE HE . 50405 1 1086 . 1 . 1 106 106 PHE HZ H 1 6.20 0.01 . 1 . . . . . 422 PHE HZ . 50405 1 1087 . 1 . 1 106 106 PHE CA C 13 56.85 0.05 . 1 . . . . . 422 PHE CA . 50405 1 1088 . 1 . 1 106 106 PHE CB C 13 43.49 0.05 . 1 . . . . . 422 PHE CB . 50405 1 1089 . 1 . 1 106 106 PHE CD1 C 13 131.86 0.05 . 3 . . . . . 422 PHE CD . 50405 1 1090 . 1 . 1 106 106 PHE CD2 C 13 131.86 0.05 . 3 . . . . . 422 PHE CD . 50405 1 1091 . 1 . 1 106 106 PHE CE1 C 13 130.02 0.05 . 3 . . . . . 422 PHE CE . 50405 1 1092 . 1 . 1 106 106 PHE CE2 C 13 130.02 0.05 . 3 . . . . . 422 PHE CE . 50405 1 1093 . 1 . 1 106 106 PHE CZ C 13 128.48 0.05 . 1 . . . . . 422 PHE CZ . 50405 1 1094 . 1 . 1 106 106 PHE N N 15 116.40 0.05 . 1 . . . . . 422 PHE N . 50405 1 1095 . 1 . 1 107 107 ALA H H 1 9.23 0.01 . 1 . . . . . 423 ALA HN . 50405 1 1096 . 1 . 1 107 107 ALA HA H 1 4.65 0.01 . 1 . . . . . 423 ALA HA . 50405 1 1097 . 1 . 1 107 107 ALA HB1 H 1 1.68 0.01 . 1 . . . . . 423 ALA HB . 50405 1 1098 . 1 . 1 107 107 ALA HB2 H 1 1.68 0.01 . 1 . . . . . 423 ALA HB . 50405 1 1099 . 1 . 1 107 107 ALA HB3 H 1 1.68 0.01 . 1 . . . . . 423 ALA HB . 50405 1 1100 . 1 . 1 107 107 ALA CA C 13 53.48 0.05 . 1 . . . . . 423 ALA CA . 50405 1 1101 . 1 . 1 107 107 ALA CB C 13 19.91 0.05 . 1 . . . . . 423 ALA CB . 50405 1 1102 . 1 . 1 107 107 ALA N N 15 123.11 0.05 . 1 . . . . . 423 ALA N . 50405 1 1103 . 1 . 1 108 108 ARG H H 1 7.72 0.01 . 1 . . . . . 424 ARG HN . 50405 1 1104 . 1 . 1 108 108 ARG HA H 1 4.82 0.01 . 1 . . . . . 424 ARG HA . 50405 1 1105 . 1 . 1 108 108 ARG HB2 H 1 2.13 0.01 . 2 . . . . . 424 ARG HB1 . 50405 1 1106 . 1 . 1 108 108 ARG HB3 H 1 1.66 0.01 . 2 . . . . . 424 ARG HB2 . 50405 1 1107 . 1 . 1 108 108 ARG HD2 H 1 3.30 0.01 . 2 . . . . . 424 ARG HD . 50405 1 1108 . 1 . 1 108 108 ARG HD3 H 1 3.30 0.01 . 2 . . . . . 424 ARG HD . 50405 1 1109 . 1 . 1 108 108 ARG CA C 13 53.68 0.05 . 1 . . . . . 424 ARG CA . 50405 1 1110 . 1 . 1 108 108 ARG CB C 13 34.58 0.05 . 1 . . . . . 424 ARG CB . 50405 1 1111 . 1 . 1 108 108 ARG CG C 13 26.7 0.1 . 1 . . . . . 424 ARG CG . 50405 1 1112 . 1 . 1 108 108 ARG CD C 13 43.0 0.1 . 1 . . . . . 424 ARG CD . 50405 1 1113 . 1 . 1 108 108 ARG N N 15 113.47 0.05 . 1 . . . . . 424 ARG N . 50405 1 1114 . 1 . 1 109 109 SER H H 1 8.48 0.01 . 1 . . . . . 425 SER HN . 50405 1 1115 . 1 . 1 109 109 SER CA C 13 60.3 0.1 . 1 . . . . . 425 SER CA . 50405 1 1116 . 1 . 1 109 109 SER CB C 13 61.7 0.1 . 1 . . . . . 425 SER CB . 50405 1 1117 . 1 . 1 109 109 SER N N 15 119.13 0.05 . 1 . . . . . 425 SER N . 50405 1 1118 . 1 . 1 110 110 ASP H H 1 8.52 0.01 . 1 . . . . . 426 ASP HN . 50405 1 1119 . 1 . 1 110 110 ASP HA H 1 4.15 0.01 . 1 . . . . . 426 ASP HA . 50405 1 1120 . 1 . 1 110 110 ASP HB2 H 1 2.61 0.01 . 2 . . . . . 426 ASP HB1 . 50405 1 1121 . 1 . 1 110 110 ASP HB3 H 1 2.54 0.01 . 2 . . . . . 426 ASP HB2 . 50405 1 1122 . 1 . 1 110 110 ASP CA C 13 56.11 0.05 . 1 . . . . . 426 ASP CA . 50405 1 1123 . 1 . 1 110 110 ASP CB C 13 38.89 0.05 . 1 . . . . . 426 ASP CB . 50405 1 1124 . 1 . 1 110 110 ASP N N 15 118.69 0.05 . 1 . . . . . 426 ASP N . 50405 1 1125 . 1 . 1 111 111 GLU H H 1 6.95 0.01 . 1 . . . . . 427 GLU HN . 50405 1 1126 . 1 . 1 111 111 GLU HA H 1 3.77 0.01 . 1 . . . . . 427 GLU HA . 50405 1 1127 . 1 . 1 111 111 GLU HB2 H 1 2.30 0.01 . 2 . . . . . 427 GLU HB1 . 50405 1 1128 . 1 . 1 111 111 GLU HB3 H 1 1.94 0.01 . 2 . . . . . 427 GLU HB2 . 50405 1 1129 . 1 . 1 111 111 GLU HG2 H 1 2.25 0.01 . 2 . . . . . 427 GLU HG1 . 50405 1 1130 . 1 . 1 111 111 GLU HG3 H 1 2.22 0.01 . 2 . . . . . 427 GLU HG2 . 50405 1 1131 . 1 . 1 111 111 GLU CA C 13 57.77 0.05 . 1 . . . . . 427 GLU CA . 50405 1 1132 . 1 . 1 111 111 GLU CB C 13 29.91 0.05 . 1 . . . . . 427 GLU CB . 50405 1 1133 . 1 . 1 111 111 GLU CG C 13 36.74 0.05 . 1 . . . . . 427 GLU CG . 50405 1 1134 . 1 . 1 111 111 GLU N N 15 119.68 0.05 . 1 . . . . . 427 GLU N . 50405 1 1135 . 1 . 1 112 112 LEU H H 1 6.85 0.01 . 1 . . . . . 428 LEU HN . 50405 1 1136 . 1 . 1 112 112 LEU HA H 1 3.21 0.01 . 1 . . . . . 428 LEU HA . 50405 1 1137 . 1 . 1 112 112 LEU HB2 H 1 1.93 0.01 . 2 . . . . . 428 LEU HB1 . 50405 1 1138 . 1 . 1 112 112 LEU HB3 H 1 1.11 0.01 . 2 . . . . . 428 LEU HB2 . 50405 1 1139 . 1 . 1 112 112 LEU HG H 1 1.18 0.01 . 1 . . . . . 428 LEU HG . 50405 1 1140 . 1 . 1 112 112 LEU HD11 H 1 1.01 0.01 . 2 . . . . . 428 LEU HD1 . 50405 1 1141 . 1 . 1 112 112 LEU HD12 H 1 1.01 0.01 . 2 . . . . . 428 LEU HD1 . 50405 1 1142 . 1 . 1 112 112 LEU HD13 H 1 1.01 0.01 . 2 . . . . . 428 LEU HD1 . 50405 1 1143 . 1 . 1 112 112 LEU HD21 H 1 0.82 0.01 . 2 . . . . . 428 LEU HD2 . 50405 1 1144 . 1 . 1 112 112 LEU HD22 H 1 0.82 0.01 . 2 . . . . . 428 LEU HD2 . 50405 1 1145 . 1 . 1 112 112 LEU HD23 H 1 0.82 0.01 . 2 . . . . . 428 LEU HD2 . 50405 1 1146 . 1 . 1 112 112 LEU CA C 13 57.11 0.05 . 1 . . . . . 428 LEU CA . 50405 1 1147 . 1 . 1 112 112 LEU CB C 13 40.14 0.05 . 1 . . . . . 428 LEU CB . 50405 1 1148 . 1 . 1 112 112 LEU CG C 13 26.69 0.05 . 1 . . . . . 428 LEU CG . 50405 1 1149 . 1 . 1 112 112 LEU CD1 C 13 25.68 0.05 . 2 . . . . . 428 LEU CD1 . 50405 1 1150 . 1 . 1 112 112 LEU CD2 C 13 22.37 0.05 . 2 . . . . . 428 LEU CD2 . 50405 1 1151 . 1 . 1 112 112 LEU N N 15 121.05 0.05 . 1 . . . . . 428 LEU N . 50405 1 1152 . 1 . 1 113 113 VAL H H 1 7.83 0.01 . 1 . . . . . 429 VAL HN . 50405 1 1153 . 1 . 1 113 113 VAL HA H 1 3.50 0.01 . 1 . . . . . 429 VAL HA . 50405 1 1154 . 1 . 1 113 113 VAL HB H 1 1.97 0.01 . 1 . . . . . 429 VAL HB . 50405 1 1155 . 1 . 1 113 113 VAL HG11 H 1 0.90 0.01 . 2 . . . . . 429 VAL HG1 . 50405 1 1156 . 1 . 1 113 113 VAL HG12 H 1 0.90 0.01 . 2 . . . . . 429 VAL HG1 . 50405 1 1157 . 1 . 1 113 113 VAL HG13 H 1 0.90 0.01 . 2 . . . . . 429 VAL HG1 . 50405 1 1158 . 1 . 1 113 113 VAL HG21 H 1 0.99 0.01 . 2 . . . . . 429 VAL HG2 . 50405 1 1159 . 1 . 1 113 113 VAL HG22 H 1 0.99 0.01 . 2 . . . . . 429 VAL HG2 . 50405 1 1160 . 1 . 1 113 113 VAL HG23 H 1 0.99 0.01 . 2 . . . . . 429 VAL HG2 . 50405 1 1161 . 1 . 1 113 113 VAL CA C 13 66.26 0.05 . 1 . . . . . 429 VAL CA . 50405 1 1162 . 1 . 1 113 113 VAL CB C 13 31.39 0.05 . 1 . . . . . 429 VAL CB . 50405 1 1163 . 1 . 1 113 113 VAL CG1 C 13 20.59 0.05 . 2 . . . . . 429 VAL CG1 . 50405 1 1164 . 1 . 1 113 113 VAL CG2 C 13 22.14 0.05 . 2 . . . . . 429 VAL CG2 . 50405 1 1165 . 1 . 1 113 113 VAL N N 15 118.98 0.05 . 1 . . . . . 429 VAL N . 50405 1 1166 . 1 . 1 114 114 ARG H H 1 7.27 0.01 . 1 . . . . . 430 ARG HN . 50405 1 1167 . 1 . 1 114 114 ARG HA H 1 3.96 0.01 . 1 . . . . . 430 ARG HA . 50405 1 1168 . 1 . 1 114 114 ARG HB2 H 1 1.41 0.01 . 2 . . . . . 430 ARG HB1 . 50405 1 1169 . 1 . 1 114 114 ARG HB3 H 1 1.27 0.01 . 2 . . . . . 430 ARG HB2 . 50405 1 1170 . 1 . 1 114 114 ARG HG2 H 1 1.64 0.01 . 2 . . . . . 430 ARG HG . 50405 1 1171 . 1 . 1 114 114 ARG HG3 H 1 1.64 0.01 . 2 . . . . . 430 ARG HG . 50405 1 1172 . 1 . 1 114 114 ARG HD2 H 1 3.22 0.01 . 2 . . . . . 430 ARG HD1 . 50405 1 1173 . 1 . 1 114 114 ARG HD3 H 1 3.15 0.01 . 2 . . . . . 430 ARG HD2 . 50405 1 1174 . 1 . 1 114 114 ARG CA C 13 58.96 0.05 . 1 . . . . . 430 ARG CA . 50405 1 1175 . 1 . 1 114 114 ARG CB C 13 29.69 0.05 . 1 . . . . . 430 ARG CB . 50405 1 1176 . 1 . 1 114 114 ARG CG C 13 27.3 0.1 . 1 . . . . . 430 ARG CG . 50405 1 1177 . 1 . 1 114 114 ARG CD C 13 43.0 0.1 . 1 . . . . . 430 ARG CD . 50405 1 1178 . 1 . 1 114 114 ARG N N 15 117.32 0.05 . 1 . . . . . 430 ARG N . 50405 1 1179 . 1 . 1 115 115 HIS H H 1 7.55 0.01 . 1 . . . . . 431 HIS HN . 50405 1 1180 . 1 . 1 115 115 HIS HA H 1 4.20 0.01 . 1 . . . . . 431 HIS HA . 50405 1 1181 . 1 . 1 115 115 HIS HB2 H 1 2.99 0.01 . 2 . . . . . 431 HIS HB1 . 50405 1 1182 . 1 . 1 115 115 HIS HB3 H 1 2.75 0.01 . 2 . . . . . 431 HIS HB2 . 50405 1 1183 . 1 . 1 115 115 HIS HD2 H 1 7.27 0.01 . 1 . . . . . 431 HIS HD2 . 50405 1 1184 . 1 . 1 115 115 HIS HE1 H 1 7.66 0.01 . 1 . . . . . 431 HIS HE1 . 50405 1 1185 . 1 . 1 115 115 HIS CA C 13 58.85 0.05 . 1 . . . . . 431 HIS CA . 50405 1 1186 . 1 . 1 115 115 HIS CB C 13 28.33 0.05 . 1 . . . . . 431 HIS CB . 50405 1 1187 . 1 . 1 115 115 HIS CD2 C 13 127.32 0.05 . 1 . . . . . 431 HIS CD2 . 50405 1 1188 . 1 . 1 115 115 HIS CE1 C 13 137.44 0.05 . 1 . . . . . 431 HIS CE1 . 50405 1 1189 . 1 . 1 115 115 HIS N N 15 118.15 0.05 . 1 . . . . . 431 HIS N . 50405 1 1190 . 1 . 1 116 116 HIS H H 1 8.98 0.01 . 1 . . . . . 432 HIS HN . 50405 1 1191 . 1 . 1 116 116 HIS HA H 1 4.23 0.01 . 1 . . . . . 432 HIS HA . 50405 1 1192 . 1 . 1 116 116 HIS HB2 H 1 3.41 0.01 . 2 . . . . . 432 HIS HB1 . 50405 1 1193 . 1 . 1 116 116 HIS HB3 H 1 3.27 0.01 . 2 . . . . . 432 HIS HB2 . 50405 1 1194 . 1 . 1 116 116 HIS HD2 H 1 6.93 0.01 . 1 . . . . . 432 HIS HD2 . 50405 1 1195 . 1 . 1 116 116 HIS HE1 H 1 7.79 0.01 . 1 . . . . . 432 HIS HE1 . 50405 1 1196 . 1 . 1 116 116 HIS CA C 13 58.61 0.05 . 1 . . . . . 432 HIS CA . 50405 1 1197 . 1 . 1 116 116 HIS CB C 13 29.90 0.05 . 1 . . . . . 432 HIS CB . 50405 1 1198 . 1 . 1 116 116 HIS CD2 C 13 119.73 0.05 . 1 . . . . . 432 HIS CD2 . 50405 1 1199 . 1 . 1 116 116 HIS CE1 C 13 136.97 0.05 . 1 . . . . . 432 HIS CE1 . 50405 1 1200 . 1 . 1 116 116 HIS N N 15 119.54 0.05 . 1 . . . . . 432 HIS N . 50405 1 1201 . 1 . 1 117 117 ASN H H 1 7.64 0.01 . 1 . . . . . 433 ASN HN . 50405 1 1202 . 1 . 1 117 117 ASN HA H 1 4.62 0.01 . 1 . . . . . 433 ASN HA . 50405 1 1203 . 1 . 1 117 117 ASN HB2 H 1 2.92 0.01 . 2 . . . . . 433 ASN HB1 . 50405 1 1204 . 1 . 1 117 117 ASN HB3 H 1 2.86 0.01 . 2 . . . . . 433 ASN HB2 . 50405 1 1205 . 1 . 1 117 117 ASN CA C 13 54.08 0.05 . 1 . . . . . 433 ASN CA . 50405 1 1206 . 1 . 1 117 117 ASN CB C 13 38.00 0.05 . 1 . . . . . 433 ASN CB . 50405 1 1207 . 1 . 1 117 117 ASN N N 15 115.33 0.05 . 1 . . . . . 433 ASN N . 50405 1 1208 . 1 . 1 118 118 MET H H 1 7.69 0.01 . 1 . . . . . 434 MET HN . 50405 1 1209 . 1 . 1 118 118 MET HA H 1 4.35 0.01 . 1 . . . . . 434 MET HA . 50405 1 1210 . 1 . 1 118 118 MET HB2 H 1 1.97 0.01 . 2 . . . . . 434 MET HB1 . 50405 1 1211 . 1 . 1 118 118 MET HB3 H 1 1.78 0.01 . 2 . . . . . 434 MET HB2 . 50405 1 1212 . 1 . 1 118 118 MET HG2 H 1 2.59 0.01 . 2 . . . . . 434 MET HG1 . 50405 1 1213 . 1 . 1 118 118 MET HG3 H 1 2.46 0.01 . 2 . . . . . 434 MET HG2 . 50405 1 1214 . 1 . 1 118 118 MET CA C 13 54.98 0.05 . 1 . . . . . 434 MET CA . 50405 1 1215 . 1 . 1 118 118 MET CB C 13 31.89 0.05 . 1 . . . . . 434 MET CB . 50405 1 1216 . 1 . 1 118 118 MET CG C 13 31.65 0.05 . 1 . . . . . 434 MET CG . 50405 1 1217 . 1 . 1 118 118 MET N N 15 117.54 0.05 . 1 . . . . . 434 MET N . 50405 1 1218 . 1 . 1 119 119 HIS H H 1 6.88 0.01 . 1 . . . . . 435 HIS HN . 50405 1 1219 . 1 . 1 119 119 HIS HA H 1 3.75 0.01 . 1 . . . . . 435 HIS HA . 50405 1 1220 . 1 . 1 119 119 HIS HB2 H 1 2.16 0.01 . 2 . . . . . 435 HIS HB . 50405 1 1221 . 1 . 1 119 119 HIS HB3 H 1 2.16 0.01 . 2 . . . . . 435 HIS HB . 50405 1 1222 . 1 . 1 119 119 HIS HD2 H 1 6.06 0.01 . 1 . . . . . 435 HIS HD2 . 50405 1 1223 . 1 . 1 119 119 HIS HE1 H 1 7.70 0.01 . 1 . . . . . 435 HIS HE1 . 50405 1 1224 . 1 . 1 119 119 HIS CA C 13 58.07 0.05 . 1 . . . . . 435 HIS CA . 50405 1 1225 . 1 . 1 119 119 HIS CB C 13 27.84 0.05 . 1 . . . . . 435 HIS CB . 50405 1 1226 . 1 . 1 119 119 HIS CD2 C 13 125.23 0.05 . 1 . . . . . 435 HIS CD2 . 50405 1 1227 . 1 . 1 119 119 HIS CE1 C 13 137.22 0.05 . 1 . . . . . 435 HIS CE1 . 50405 1 1228 . 1 . 1 119 119 HIS N N 15 124.72 0.05 . 1 . . . . . 435 HIS N . 50405 1 stop_ save_