data_17732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17732 _Entry.Title ; Complex of the C-terminal WRKY domain of AtWRKY4 and a W-box DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-24 _Entry.Accession_date 2011-06-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Takanori Kigawa . . . 17732 2 Satoru Watanabe . . . 17732 3 Makoto Inoue . . . 17732 4 Shigeyuki Yokoyama . . . 17732 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'RIKEN Structural Genomics/Proteomics Initiative' . 17732 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN/DNA . 17732 transcription . 17732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 70 17732 '15N chemical shifts' 80 17732 '1H chemical shifts' 662 17732 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-04-06 2011-06-24 update BMRB 'update entry citation' 17732 1 . . 2012-01-18 2011-06-24 original author 'original release' 17732 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LEX 'BMRB Entry Tracking System' 17732 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17732 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22219184 _Citation.Full_citation . _Citation.Title 'Structural Basis for Sequence-specific DNA Recognition by an Arabidopsis WRKY Transcription Factor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 10 _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 7683 _Citation.Page_last 7691 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kazuhiko Yamasaki . . . 17732 1 2 Takanori Kigawa . . . 17732 1 3 Satoru Watanabe . . . 17732 1 4 Makoto Inoue . . . 17732 1 5 Tomoko Yamasaki . . . 17732 1 6 Motoaki Seki . . . 17732 1 7 Kazuo Shinozaki . . . 17732 1 8 Shigeyuki Yokoyama . . . 17732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17732 _Assembly.ID 1 _Assembly.Name 'Complex of the C-terminal WRKY domain of AtWRKY4 and a W-box DNA' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 WRKY_domain 1 $WRKY_domain A . yes native no no . . . 17732 1 2 ZINC_ION 2 $ZN B . no native no no . . . 17732 1 3 W-box_DNA_chain_1 3 $W-box_DNA_chain_1 C . yes native no no . . . 17732 1 4 W-box_DNA_chain_2 4 $W-box_DNA_chain_2 D . yes native no no . . . 17732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WRKY_domain _Entity.Sf_category entity _Entity.Sf_framecode WRKY_domain _Entity.Entry_ID 17732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WRKY_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVQTTSEVDLLDDG YRWRKYGQKVVKGNPYPRSY YKCTTPGCGVRKHVERAATD PKAVVTTYEGKHNHDLPA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7208.253 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WJ2 . "Solution Structure Of The C-Terminal Wrky Domain Of Atwrky4" . . . . . 100.00 78 100.00 100.00 4.93e-49 . . . . 17732 1 2 no PDB 2LEX . "Complex Of The C-Terminal Wrky Domain Of Atwrky4 And A W-Box Dna" . . . . . 100.00 78 100.00 100.00 4.93e-49 . . . . 17732 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 1 392 GLY . 17732 1 2 393 SER . 17732 1 3 394 SER . 17732 1 4 395 GLY . 17732 1 5 396 SER . 17732 1 6 397 SER . 17732 1 7 398 GLY . 17732 1 8 399 VAL . 17732 1 9 400 GLN . 17732 1 10 401 THR . 17732 1 11 402 THR . 17732 1 12 403 SER . 17732 1 13 404 GLU . 17732 1 14 405 VAL . 17732 1 15 406 ASP . 17732 1 16 407 LEU . 17732 1 17 408 LEU . 17732 1 18 409 ASP . 17732 1 19 410 ASP . 17732 1 20 411 GLY . 17732 1 21 412 TYR . 17732 1 22 413 ARG . 17732 1 23 414 TRP . 17732 1 24 415 ARG . 17732 1 25 416 LYS . 17732 1 26 417 TYR . 17732 1 27 418 GLY . 17732 1 28 419 GLN . 17732 1 29 420 LYS . 17732 1 30 421 VAL . 17732 1 31 422 VAL . 17732 1 32 423 LYS . 17732 1 33 424 GLY . 17732 1 34 425 ASN . 17732 1 35 426 PRO . 17732 1 36 427 TYR . 17732 1 37 428 PRO . 17732 1 38 429 ARG . 17732 1 39 430 SER . 17732 1 40 431 TYR . 17732 1 41 432 TYR . 17732 1 42 433 LYS . 17732 1 43 434 CYS . 17732 1 44 435 THR . 17732 1 45 436 THR . 17732 1 46 437 PRO . 17732 1 47 438 GLY . 17732 1 48 439 CYS . 17732 1 49 440 GLY . 17732 1 50 441 VAL . 17732 1 51 442 ARG . 17732 1 52 443 LYS . 17732 1 53 444 HIS . 17732 1 54 445 VAL . 17732 1 55 446 GLU . 17732 1 56 447 ARG . 17732 1 57 448 ALA . 17732 1 58 449 ALA . 17732 1 59 450 THR . 17732 1 60 451 ASP . 17732 1 61 452 PRO . 17732 1 62 453 LYS . 17732 1 63 454 ALA . 17732 1 64 455 VAL . 17732 1 65 456 VAL . 17732 1 66 457 THR . 17732 1 67 458 THR . 17732 1 68 459 TYR . 17732 1 69 460 GLU . 17732 1 70 461 GLY . 17732 1 71 462 LYS . 17732 1 72 463 HIS . 17732 1 73 464 ASN . 17732 1 74 465 HIS . 17732 1 75 466 ASP . 17732 1 76 467 LEU . 17732 1 77 468 PRO . 17732 1 78 469 ALA . 17732 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17732 1 . SER 2 2 17732 1 . SER 3 3 17732 1 . GLY 4 4 17732 1 . SER 5 5 17732 1 . SER 6 6 17732 1 . GLY 7 7 17732 1 . VAL 8 8 17732 1 . GLN 9 9 17732 1 . THR 10 10 17732 1 . THR 11 11 17732 1 . SER 12 12 17732 1 . GLU 13 13 17732 1 . VAL 14 14 17732 1 . ASP 15 15 17732 1 . LEU 16 16 17732 1 . LEU 17 17 17732 1 . ASP 18 18 17732 1 . ASP 19 19 17732 1 . GLY 20 20 17732 1 . TYR 21 21 17732 1 . ARG 22 22 17732 1 . TRP 23 23 17732 1 . ARG 24 24 17732 1 . LYS 25 25 17732 1 . TYR 26 26 17732 1 . GLY 27 27 17732 1 . GLN 28 28 17732 1 . LYS 29 29 17732 1 . VAL 30 30 17732 1 . VAL 31 31 17732 1 . LYS 32 32 17732 1 . GLY 33 33 17732 1 . ASN 34 34 17732 1 . PRO 35 35 17732 1 . TYR 36 36 17732 1 . PRO 37 37 17732 1 . ARG 38 38 17732 1 . SER 39 39 17732 1 . TYR 40 40 17732 1 . TYR 41 41 17732 1 . LYS 42 42 17732 1 . CYS 43 43 17732 1 . THR 44 44 17732 1 . THR 45 45 17732 1 . PRO 46 46 17732 1 . GLY 47 47 17732 1 . CYS 48 48 17732 1 . GLY 49 49 17732 1 . VAL 50 50 17732 1 . ARG 51 51 17732 1 . LYS 52 52 17732 1 . HIS 53 53 17732 1 . VAL 54 54 17732 1 . GLU 55 55 17732 1 . ARG 56 56 17732 1 . ALA 57 57 17732 1 . ALA 58 58 17732 1 . THR 59 59 17732 1 . ASP 60 60 17732 1 . PRO 61 61 17732 1 . LYS 62 62 17732 1 . ALA 63 63 17732 1 . VAL 64 64 17732 1 . VAL 65 65 17732 1 . THR 66 66 17732 1 . THR 67 67 17732 1 . TYR 68 68 17732 1 . GLU 69 69 17732 1 . GLY 70 70 17732 1 . LYS 71 71 17732 1 . HIS 72 72 17732 1 . ASN 73 73 17732 1 . HIS 74 74 17732 1 . ASP 75 75 17732 1 . LEU 76 76 17732 1 . PRO 77 77 17732 1 . ALA 78 78 17732 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17732 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 17732 2 stop_ save_ save_W-box_DNA_chain_1 _Entity.Sf_category entity _Entity.Sf_framecode W-box_DNA_chain_1 _Entity.Entry_ID 17732 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name W-box_DNA_chain_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code CGCCTTTGACCAGCGC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 DC . 17732 3 2 2 DG . 17732 3 3 3 DC . 17732 3 4 4 DC . 17732 3 5 5 DT . 17732 3 6 6 DT . 17732 3 7 7 DT . 17732 3 8 8 DG . 17732 3 9 9 DA . 17732 3 10 10 DC . 17732 3 11 11 DC . 17732 3 12 12 DA . 17732 3 13 13 DG . 17732 3 14 14 DC . 17732 3 15 15 DG . 17732 3 16 16 DC . 17732 3 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 . DC 1 1 17732 3 . DG 2 2 17732 3 . DC 3 3 17732 3 . DC 4 4 17732 3 . DT 5 5 17732 3 . DT 6 6 17732 3 . DT 7 7 17732 3 . DG 8 8 17732 3 . DA 9 9 17732 3 . DC 10 10 17732 3 . DC 11 11 17732 3 . DA 12 12 17732 3 . DG 13 13 17732 3 . DC 14 14 17732 3 . DG 15 15 17732 3 . DC 16 16 17732 3 stop_ save_ save_W-box_DNA_chain_2 _Entity.Sf_category entity _Entity.Sf_framecode W-box_DNA_chain_2 _Entity.Entry_ID 17732 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name W-box_DNA_chain_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCGCTGGTCAAAGGCG _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 DG . 17732 4 2 2 DC . 17732 4 3 3 DG . 17732 4 4 4 DC . 17732 4 5 5 DT . 17732 4 6 6 DG . 17732 4 7 7 DG . 17732 4 8 8 DT . 17732 4 9 9 DC . 17732 4 10 10 DA . 17732 4 11 11 DA . 17732 4 12 12 DA . 17732 4 13 13 DG . 17732 4 14 14 DG . 17732 4 15 15 DC . 17732 4 16 16 DG . 17732 4 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 . DG 1 1 17732 4 . DC 2 2 17732 4 . DG 3 3 17732 4 . DC 4 4 17732 4 . DT 5 5 17732 4 . DG 6 6 17732 4 . DG 7 7 17732 4 . DT 8 8 17732 4 . DC 9 9 17732 4 . DA 10 10 17732 4 . DA 11 11 17732 4 . DA 12 12 17732 4 . DG 13 13 17732 4 . DG 14 14 17732 4 . DC 15 15 17732 4 . DG 16 16 17732 4 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17732 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $WRKY_domain . 3702 organism . 'Arabidopsis thaliana' thale-cress . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 17732 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17732 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $WRKY_domain . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pCR2.1 . . . . . . 17732 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 17732 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 16:52:21 2011 ; _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 17732 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17732 ZN [Zn++] SMILES CACTVS 3.341 17732 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17732 ZN [Zn+2] SMILES ACDLabs 10.04 17732 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17732 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17732 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 17732 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17732 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17732 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17732 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WRKY_domain 'natural abundance' . . 1 $WRKY_domain . . . 0.4 1.0 mM . . . . 17732 1 2 'W-box DNA chain 1' 'natural abundance' . . 3 $W-box_DNA_chain_1 . . . 0.4 1.0 mM . . . . 17732 1 3 'W-box DNA chain 2' 'natural abundance' . . 4 $W-box_DNA_chain_2 . . . 0.4 1.0 mM . . . . 17732 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17732 1 5 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17732 1 6 'zinc chloride' 'natural abundance' . . . . . . 20 . . uM . . . . 17732 1 7 DTT [U-2H] . . . . . . 1 . . mM . . . . 17732 1 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17732 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17732 1 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17732 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17732 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WRKY_domain 'natural abundance' . . 1 $WRKY_domain . . . 0.4 1.0 mM . . . . 17732 2 2 'W-box DNA chain 1' 'natural abundance' . . 3 $W-box_DNA_chain_1 . . . 0.4 1.0 mM . . . . 17732 2 3 'W-box DNA chain 2' 'natural abundance' . . 4 $W-box_DNA_chain_2 . . . 0.4 1.0 mM . . . . 17732 2 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17732 2 5 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17732 2 6 'zinc chloride' 'natural abundance' . . . . . . 20 . . uM . . . . 17732 2 7 DTT [U-2H] . . . . . . 1 . . mM . . . . 17732 2 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17732 2 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17732 2 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17732 2 stop_ save_ save_sample_2d _Sample.Sf_category sample _Sample.Sf_framecode sample_2d _Sample.Entry_ID 17732 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'WRKY domain' '[U-13C; U-15N]' . . 1 $WRKY_domain . . . 0.4 1.0 mM . . . . 17732 3 2 'W-box DNA chain 1' 'natural abundance' . . 3 $W-box_DNA_chain_1 . . . 0.4 1.0 mM . . . . 17732 3 3 'W-box DNA chain 2' 'natural abundance' . . 4 $W-box_DNA_chain_2 . . . 0.4 1.0 mM . . . . 17732 3 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17732 3 5 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17732 3 6 'zinc chloride' 'natural abundance' . . . . . . 20 . . uM . . . . 17732 3 7 DTT [U-2H] . . . . . . 1 . . mM . . . . 17732 3 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17732 3 9 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17732 3 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17732 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'WRKY domain' [U-15N] . . 1 $WRKY_domain . . . 0.4 1.0 mM . . . . 17732 4 2 'W-box DNA chain 1' [U-15N]-T . . 3 $W-box_DNA_chain_1 . . . 0.4 1.0 mM . . . . 17732 4 3 'W-box DNA chain 2' [U-15N]-T . . 4 $W-box_DNA_chain_2 . . . 0.4 1.0 mM . . . . 17732 4 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17732 4 5 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17732 4 6 'zinc chloride' 'natural abundance' . . . . . . 20 . . uM . . . . 17732 4 7 DTT [U-2H] . . . . . . 1 . . mM . . . . 17732 4 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17732 4 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17732 4 10 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17732 4 stop_ save_ save_sample_3p _Sample.Sf_category sample _Sample.Sf_framecode sample_3p _Sample.Entry_ID 17732 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'WRKY domain' [U-15N] . . 1 $WRKY_domain . . . 0.4 1.0 mM . . . . 17732 5 2 'W-box DNA chain 1' [U-15N]-T . . 3 $W-box_DNA_chain_1 . . . 0.4 1.0 mM . . . . 17732 5 3 'W-box DNA chain 2' [U-15N]-T . . 4 $W-box_DNA_chain_2 . . . 0.4 1.0 mM . . . . 17732 5 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17732 5 5 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17732 5 6 'zinc chloride' 'natural abundance' . . . . . . 20 . . uM . . . . 17732 5 7 DTT [U-2H] . . . . . . 1 . . mM . . . . 17732 5 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 17732 5 9 'Pf1 phage' 'natural abundance' . . . . . . 12 . . mg/mL . . . . 17732 5 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17732 5 11 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17732 5 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 17732 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 17732 1 pH 6.0 . pH 17732 1 pressure 1 . atm 17732 1 temperature 303 . K 17732 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17732 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 17732 2 pH 6.0 . pH 17732 2 pressure 1 . atm 17732 2 temperature 283 . K 17732 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 17732 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 17732 3 pH 6.0 . pH 17732 3 pressure 1 . atm 17732 3 temperature 298 . K 17732 3 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17732 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17732 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17732 1 'structure solution' 17732 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17732 _Software.ID 2 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17732 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17732 2 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17732 _Software.ID 3 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Delaglio, Cornilescu, Bax' . . 17732 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17732 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17732 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17732 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17732 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 750 . . . 17732 1 2 spectrometer_2 Bruker DMX . 500 . . . 17732 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17732 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17732 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17732 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17732 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17732 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17732 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17732 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17732 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17732 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17732 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17732 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_2d isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17732 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17732 1 13 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 4 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17732 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_3p anisotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17732 1 15 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 5 $sample_3p anisotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17732 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17732 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17732 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17732 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17732 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17732 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 17732 1 2 '2D 1H-1H TOCSY' . . . 17732 1 3 '2D DQF-COSY' . . . 17732 1 4 '2D 1H-15N HSQC' . . . 17732 1 5 '3D HNCA' . . . 17732 1 6 '3D HN(CO)CA' . . . 17732 1 7 '3D HNCACB' . . . 17732 1 8 '3D CBCA(CO)NH' . . . 17732 1 9 '3D 1H-15N NOESY' . . . 17732 1 10 '3D 1H-15N TOCSY' . . . 17732 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 3 3 1 1 DC H1' H 1 5.79 0.01 . 1 . . . B 1 CYT H1' . 17732 1 2 . 3 3 1 1 DC H2' H 1 1.97 0.01 . 1 . . . B 1 CYT H2' . 17732 1 3 . 3 3 1 1 DC H2'' H 1 2.43 0.01 . 1 . . . B 1 CYT H2'' . 17732 1 4 . 3 3 1 1 DC H5 H 1 5.90 0.01 . 1 . . . B 1 CYT H5 . 17732 1 5 . 3 3 1 1 DC H6 H 1 7.64 0.01 . 1 . . . B 1 CYT H6 . 17732 1 6 . 3 3 2 2 DG H1 H 1 13.08 0.01 . 1 . . . B 2 GUA H1 . 17732 1 7 . 3 3 2 2 DG H1' H 1 5.94 0.01 . 1 . . . B 2 GUA H1' . 17732 1 8 . 3 3 2 2 DG H2' H 1 2.71 0.01 . 1 . . . B 2 GUA H2' . 17732 1 9 . 3 3 2 2 DG H2'' H 1 2.76 0.01 . 1 . . . B 2 GUA H2'' . 17732 1 10 . 3 3 2 2 DG H8 H 1 7.97 0.01 . 1 . . . B 2 GUA H8 . 17732 1 11 . 3 3 3 3 DC H1' H 1 5.93 0.01 . 1 . . . B 3 DC H1' . 17732 1 12 . 3 3 3 3 DC H2' H 1 2.43 0.01 . 1 . . . B 3 DC H2' . 17732 1 13 . 3 3 3 3 DC H2'' H 1 2.51 0.01 . 1 . . . B 3 DC H2'' . 17732 1 14 . 3 3 3 3 DC H5 H 1 5.41 0.01 . 1 . . . B 3 DC H5 . 17732 1 15 . 3 3 3 3 DC H6 H 1 7.45 0.01 . 1 . . . B 3 DC H6 . 17732 1 16 . 3 3 4 4 DC H1' H 1 5.81 0.01 . 1 . . . B 4 DC H1' . 17732 1 17 . 3 3 4 4 DC H2' H 1 2.27 0.01 . 1 . . . B 4 DC H2' . 17732 1 18 . 3 3 4 4 DC H2'' H 1 2.68 0.01 . 1 . . . B 4 DC H2'' . 17732 1 19 . 3 3 4 4 DC H3' H 1 4.85 0.01 . 1 . . . B 4 DC H3' . 17732 1 20 . 3 3 4 4 DC H5 H 1 5.60 0.01 . 1 . . . B 4 DC H5 . 17732 1 21 . 3 3 4 4 DC H6 H 1 7.60 0.01 . 1 . . . B 4 DC H6 . 17732 1 22 . 3 3 4 4 DC H41 H 1 8.17 0.01 . 1 . . . B 4 DC HN41 . 17732 1 23 . 3 3 4 4 DC H42 H 1 6.86 0.01 . 1 . . . B 4 DC HN42 . 17732 1 24 . 3 3 5 5 DT H1' H 1 6.21 0.01 . 1 . . . B 5 DT H1' . 17732 1 25 . 3 3 5 5 DT H2' H 1 1.93 0.01 . 1 . . . B 5 DT H2' . 17732 1 26 . 3 3 5 5 DT H2'' H 1 2.53 0.01 . 1 . . . B 5 DT H2'' . 17732 1 27 . 3 3 5 5 DT H3 H 1 13.88 0.01 . 1 . . . B 5 DT H3 . 17732 1 28 . 3 3 5 5 DT H6 H 1 7.78 0.01 . 1 . . . B 5 DT H6 . 17732 1 29 . 3 3 5 5 DT N3 N 15 159.3 0.1 . 1 . . . B 5 DT N3 . 17732 1 30 . 3 3 6 6 DT H1' H 1 6.09 0.01 . 1 . . . B 6 DT H1' . 17732 1 31 . 3 3 6 6 DT H2' H 1 2.09 0.01 . 1 . . . B 6 DT H2' . 17732 1 32 . 3 3 6 6 DT H2'' H 1 2.55 0.01 . 1 . . . B 6 DT H2'' . 17732 1 33 . 3 3 6 6 DT H3 H 1 13.75 0.01 . 1 . . . B 6 DT H3 . 17732 1 34 . 3 3 6 6 DT H6 H 1 7.26 0.01 . 1 . . . B 6 DT H6 . 17732 1 35 . 3 3 6 6 DT N3 N 15 159.1 0.1 . 1 . . . B 6 DT N3 . 17732 1 36 . 3 3 7 7 DT H1' H 1 5.48 0.01 . 1 . . . B 7 DT H1' . 17732 1 37 . 3 3 7 7 DT H2' H 1 1.80 0.01 . 1 . . . B 7 DT H2' . 17732 1 38 . 3 3 7 7 DT H2'' H 1 2.14 0.01 . 1 . . . B 7 DT H2'' . 17732 1 39 . 3 3 7 7 DT H3 H 1 13.72 0.01 . 1 . . . B 7 DT H3 . 17732 1 40 . 3 3 7 7 DT H6 H 1 7.11 0.01 . 1 . . . B 7 DT H6 . 17732 1 41 . 3 3 7 7 DT N3 N 15 158.9 0.1 . 1 . . . B 7 DT N3 . 17732 1 42 . 3 3 8 8 DG H1 H 1 12.57 0.01 . 1 . . . B 8 DG H1 . 17732 1 43 . 3 3 8 8 DG H1' H 1 5.70 0.01 . 1 . . . B 8 DG H1' . 17732 1 44 . 3 3 8 8 DG H2' H 1 2.74 0.01 . 1 . . . B 8 DG H2' . 17732 1 45 . 3 3 8 8 DG H2'' H 1 2.88 0.01 . 1 . . . B 8 DG H2'' . 17732 1 46 . 3 3 8 8 DG H8 H 1 7.94 0.01 . 1 . . . B 8 DG H8 . 17732 1 47 . 3 3 9 9 DA H1' H 1 6.06 0.01 . 1 . . . B 9 DA H1' . 17732 1 48 . 3 3 9 9 DA H2' H 1 2.63 0.01 . 1 . . . B 9 DA H2' . 17732 1 49 . 3 3 9 9 DA H2'' H 1 2.76 0.01 . 1 . . . B 9 DA H2'' . 17732 1 50 . 3 3 9 9 DA H8 H 1 8.15 0.01 . 1 . . . B 9 DA H8 . 17732 1 51 . 3 3 10 10 DC H1' H 1 5.93 0.01 . 1 . . . B 10 DC H1' . 17732 1 52 . 3 3 10 10 DC H2' H 1 1.99 0.01 . 1 . . . B 10 DC H2' . 17732 1 53 . 3 3 10 10 DC H2'' H 1 2.40 0.01 . 1 . . . B 10 DC H2'' . 17732 1 54 . 3 3 10 10 DC H5 H 1 5.13 0.01 . 1 . . . B 10 DC H5 . 17732 1 55 . 3 3 10 10 DC H6 H 1 7.33 0.01 . 1 . . . B 10 DC H6 . 17732 1 56 . 3 3 10 10 DC H41 H 1 7.82 0.01 . 1 . . . B 10 DC HN41 . 17732 1 57 . 3 3 10 10 DC H42 H 1 6.23 0.01 . 1 . . . B 10 DC HN42 . 17732 1 58 . 3 3 11 11 DC H1' H 1 5.30 0.01 . 1 . . . B 11 DC H1' . 17732 1 59 . 3 3 11 11 DC H2' H 1 1.85 0.01 . 1 . . . B 11 DC H2' . 17732 1 60 . 3 3 11 11 DC H2'' H 1 2.22 0.01 . 1 . . . B 11 DC H2'' . 17732 1 61 . 3 3 11 11 DC H5 H 1 5.42 0.01 . 1 . . . B 11 DC H5 . 17732 1 62 . 3 3 11 11 DC H6 H 1 7.33 0.01 . 1 . . . B 11 DC H6 . 17732 1 63 . 3 3 11 11 DC H41 H 1 8.16 0.01 . 1 . . . B 11 DC HN41 . 17732 1 64 . 3 3 11 11 DC H42 H 1 6.49 0.01 . 1 . . . B 11 DC HN42 . 17732 1 65 . 3 3 12 12 DA H1' H 1 5.91 0.01 . 1 . . . B 12 DA H1' . 17732 1 66 . 3 3 12 12 DA H2' H 1 2.75 0.01 . 1 . . . B 12 DA H2' . 17732 1 67 . 3 3 12 12 DA H2'' H 1 2.87 0.01 . 1 . . . B 12 DA H2'' . 17732 1 68 . 3 3 12 12 DA H8 H 1 8.17 0.01 . 1 . . . B 12 DA H8 . 17732 1 69 . 3 3 13 13 DG H1 H 1 12.79 0.01 . 1 . . . B 13 GUA H1 . 17732 1 70 . 3 3 13 13 DG H1' H 1 5.69 0.01 . 1 . . . B 13 GUA H1' . 17732 1 71 . 3 3 13 13 DG H2' H 1 2.51 0.01 . 1 . . . B 13 GUA H2' . 17732 1 72 . 3 3 13 13 DG H2'' H 1 2.61 0.01 . 1 . . . B 13 GUA H2'' . 17732 1 73 . 3 3 13 13 DG H8 H 1 7.69 0.01 . 1 . . . B 13 GUA H8 . 17732 1 74 . 3 3 14 14 DC H1' H 1 5.68 0.01 . 1 . . . B 14 CYT H1' . 17732 1 75 . 3 3 14 14 DC H2' H 1 1.88 0.01 . 1 . . . B 14 CYT H2' . 17732 1 76 . 3 3 14 14 DC H2'' H 1 2.33 0.01 . 1 . . . B 14 CYT H2'' . 17732 1 77 . 3 3 14 14 DC H5 H 1 5.30 0.01 . 1 . . . B 14 CYT H5 . 17732 1 78 . 3 3 14 14 DC H6 H 1 7.23 0.01 . 1 . . . B 14 CYT H6 . 17732 1 79 . 3 3 14 14 DC H41 H 1 8.18 0.01 . 1 . . . B 14 CYT HN41 . 17732 1 80 . 3 3 14 14 DC H42 H 1 6.30 0.01 . 1 . . . B 14 CYT HN42 . 17732 1 81 . 3 3 15 15 DG H1 H 1 13.08 0.01 . 1 . . . B 15 GUA H1 . 17732 1 82 . 3 3 15 15 DG H1' H 1 5.93 0.01 . 1 . . . B 15 GUA H1' . 17732 1 83 . 3 3 15 15 DG H2' H 1 2.59 0.01 . 1 . . . B 15 GUA H2' . 17732 1 84 . 3 3 15 15 DG H2'' H 1 2.71 0.01 . 1 . . . B 15 GUA H2'' . 17732 1 85 . 3 3 15 15 DG H8 H 1 7.87 0.01 . 1 . . . B 15 GUA H8 . 17732 1 86 . 3 3 16 16 DC H1' H 1 6.17 0.01 . 1 . . . B 16 CYT H1' . 17732 1 87 . 3 3 16 16 DC H2' H 1 2.15 0.01 . 1 . . . B 16 CYT H2' . 17732 1 88 . 3 3 16 16 DC H2'' H 1 2.19 0.01 . 1 . . . B 16 CYT H2'' . 17732 1 89 . 3 3 16 16 DC H5 H 1 5.48 0.01 . 1 . . . B 16 CYT H5 . 17732 1 90 . 3 3 16 16 DC H6 H 1 7.43 0.01 . 1 . . . B 16 CYT H6 . 17732 1 91 . 4 4 1 1 DG H1' H 1 5.96 0.01 . 1 . . . B 17 GUA H1' . 17732 1 92 . 4 4 1 1 DG H2' H 1 2.59 0.01 . 1 . . . B 17 GUA H2' . 17732 1 93 . 4 4 1 1 DG H2'' H 1 2.76 0.01 . 1 . . . B 17 GUA H2'' . 17732 1 94 . 4 4 1 1 DG H8 H 1 7.94 0.01 . 1 . . . B 17 GUA H8 . 17732 1 95 . 4 4 2 2 DC H1' H 1 5.74 0.01 . 1 . . . B 18 CYT H1' . 17732 1 96 . 4 4 2 2 DC H2' H 1 2.11 0.01 . 1 . . . B 18 CYT H2' . 17732 1 97 . 4 4 2 2 DC H2'' H 1 2.45 0.01 . 1 . . . B 18 CYT H2'' . 17732 1 98 . 4 4 2 2 DC H5 H 1 5.39 0.01 . 1 . . . B 18 CYT H5 . 17732 1 99 . 4 4 2 2 DC H6 H 1 7.41 0.01 . 1 . . . B 18 CYT H6 . 17732 1 100 . 4 4 3 3 DG H1 H 1 12.95 0.01 . 1 . . . B 19 GUA H1 . 17732 1 101 . 4 4 3 3 DG H1' H 1 5.92 0.01 . 1 . . . B 19 GUA H1' . 17732 1 102 . 4 4 3 3 DG H2' H 1 2.64 0.01 . 1 . . . B 19 GUA H2' . 17732 1 103 . 4 4 3 3 DG H2'' H 1 2.73 0.01 . 1 . . . B 19 GUA H2'' . 17732 1 104 . 4 4 3 3 DG H8 H 1 7.90 0.01 . 1 . . . B 19 GUA H8 . 17732 1 105 . 4 4 4 4 DC H1' H 1 5.97 0.01 . 1 . . . B 20 CYT H1' . 17732 1 106 . 4 4 4 4 DC H2' H 1 1.90 0.01 . 1 . . . B 20 CYT H2' . 17732 1 107 . 4 4 4 4 DC H2'' H 1 2.44 0.01 . 1 . . . B 20 CYT H2'' . 17732 1 108 . 4 4 4 4 DC H3' H 1 4.83 0.01 . 1 . . . B 20 CYT H3' . 17732 1 109 . 4 4 4 4 DC H5 H 1 5.31 0.01 . 1 . . . B 20 CYT H5 . 17732 1 110 . 4 4 4 4 DC H6 H 1 7.37 0.01 . 1 . . . B 20 CYT H6 . 17732 1 111 . 4 4 5 5 DT H1' H 1 5.58 0.01 . 1 . . . C 21 DT H1' . 17732 1 112 . 4 4 5 5 DT H2' H 1 1.91 0.01 . 1 . . . C 21 DT H2' . 17732 1 113 . 4 4 5 5 DT H2'' H 1 2.29 0.01 . 1 . . . C 21 DT H2'' . 17732 1 114 . 4 4 5 5 DT H3 H 1 13.99 0.01 . 1 . . . C 21 DT H3 . 17732 1 115 . 4 4 5 5 DT H3' H 1 4.82 0.01 . 1 . . . C 21 DT H3' . 17732 1 116 . 4 4 5 5 DT H6 H 1 7.18 0.01 . 1 . . . C 21 DT H6 . 17732 1 117 . 4 4 5 5 DT N3 N 15 159.1 0.1 . 1 . . . C 21 DT N3 . 17732 1 118 . 4 4 6 6 DG H2' H 1 2.66 0.01 . 2 . . . C 22 DG H2'# . 17732 1 119 . 4 4 6 6 DG H2'' H 1 2.66 0.01 . 2 . . . C 22 DG H2'# . 17732 1 120 . 4 4 6 6 DG H1 H 1 12.69 0.01 . 1 . . . C 22 DG H1 . 17732 1 121 . 4 4 6 6 DG H1' H 1 5.81 0.01 . 1 . . . C 22 DG H1' . 17732 1 122 . 4 4 6 6 DG H8 H 1 8.12 0.01 . 1 . . . C 22 DG H8 . 17732 1 123 . 4 4 7 7 DG H1' H 1 5.83 0.01 . 1 . . . C 23 DG H1' . 17732 1 124 . 4 4 7 7 DG H2' H 1 1.89 0.01 . 1 . . . C 23 DG H2' . 17732 1 125 . 4 4 7 7 DG H2'' H 1 2.42 0.01 . 1 . . . C 23 DG H2'' . 17732 1 126 . 4 4 7 7 DG H8 H 1 6.98 0.01 . 1 . . . C 23 DG H8 . 17732 1 127 . 4 4 8 8 DT H5' H 1 4.09 0.01 . 2 . . . C 24 DT H5'# . 17732 1 128 . 4 4 8 8 DT H5'' H 1 4.09 0.01 . 2 . . . C 24 DT H5'# . 17732 1 129 . 4 4 8 8 DT H1' H 1 5.80 0.01 . 1 . . . C 24 DT H1' . 17732 1 130 . 4 4 8 8 DT H2' H 1 1.66 0.01 . 1 . . . C 24 DT H2' . 17732 1 131 . 4 4 8 8 DT H2'' H 1 2.51 0.01 . 1 . . . C 24 DT H2'' . 17732 1 132 . 4 4 8 8 DT H3 H 1 14.13 0.01 . 1 . . . C 24 DT H3 . 17732 1 133 . 4 4 8 8 DT H3' H 1 4.60 0.01 . 1 . . . C 24 DT H3' . 17732 1 134 . 4 4 8 8 DT H4' H 1 4.08 0.01 . 1 . . . C 24 DT H4' . 17732 1 135 . 4 4 8 8 DT H6 H 1 6.49 0.01 . 1 . . . C 24 DT H6 . 17732 1 136 . 4 4 8 8 DT N3 N 15 160.5 0.1 . 1 . . . C 24 DT N3 . 17732 1 137 . 4 4 9 9 DC H1' H 1 5.83 0.01 . 1 . . . C 25 DC H1' . 17732 1 138 . 4 4 9 9 DC H2' H 1 1.50 0.01 . 1 . . . C 25 DC H2' . 17732 1 139 . 4 4 9 9 DC H2'' H 1 2.24 0.01 . 1 . . . C 25 DC H2'' . 17732 1 140 . 4 4 9 9 DC H5 H 1 5.98 0.01 . 1 . . . C 25 DC H5 . 17732 1 141 . 4 4 9 9 DC H6 H 1 7.23 0.01 . 1 . . . C 25 DC H6 . 17732 1 142 . 4 4 9 9 DC H41 H 1 8.72 0.01 . 1 . . . C 25 DC HN41 . 17732 1 143 . 4 4 9 9 DC H42 H 1 7.67 0.01 . 1 . . . C 25 DC HN42 . 17732 1 144 . 4 4 10 10 DA H1' H 1 5.26 0.01 . 1 . . . C 26 DA H1' . 17732 1 145 . 4 4 10 10 DA H2 H 1 7.08 0.01 . 1 . . . C 26 DA H2 . 17732 1 146 . 4 4 10 10 DA H2' H 1 2.79 0.01 . 1 . . . C 26 DA H2' . 17732 1 147 . 4 4 10 10 DA H2'' H 1 2.71 0.01 . 1 . . . C 26 DA H2'' . 17732 1 148 . 4 4 10 10 DA H8 H 1 8.34 0.01 . 1 . . . C 26 DA H8 . 17732 1 149 . 4 4 11 11 DA H1' H 1 5.99 0.01 . 1 . . . C 27 DA H1' . 17732 1 150 . 4 4 11 11 DA H2 H 1 7.15 0.01 . 1 . . . C 27 DA H2 . 17732 1 151 . 4 4 11 11 DA H2' H 1 2.70 0.01 . 1 . . . C 27 DA H2' . 17732 1 152 . 4 4 11 11 DA H2'' H 1 2.92 0.01 . 1 . . . C 27 DA H2'' . 17732 1 153 . 4 4 11 11 DA H3' H 1 5.07 0.01 . 1 . . . C 27 DA H3' . 17732 1 154 . 4 4 11 11 DA H8 H 1 8.20 0.01 . 1 . . . C 27 DA H8 . 17732 1 155 . 4 4 12 12 DA H1' H 1 5.90 0.01 . 1 . . . C 28 DA H1' . 17732 1 156 . 4 4 12 12 DA H2 H 1 7.43 0.01 . 1 . . . C 28 DA H2 . 17732 1 157 . 4 4 12 12 DA H2' H 1 2.48 0.01 . 1 . . . C 28 DA H2' . 17732 1 158 . 4 4 12 12 DA H2'' H 1 2.82 0.01 . 1 . . . C 28 DA H2'' . 17732 1 159 . 4 4 12 12 DA H8 H 1 7.88 0.01 . 1 . . . C 28 DA H8 . 17732 1 160 . 4 4 13 13 DG H1 H 1 12.95 0.01 . 1 . . . C 29 DG H1 . 17732 1 161 . 4 4 13 13 DG H1' H 1 5.52 0.01 . 1 . . . C 29 DG H1' . 17732 1 162 . 4 4 13 13 DG H2' H 1 2.43 0.01 . 1 . . . C 29 DG H2' . 17732 1 163 . 4 4 13 13 DG H2'' H 1 2.58 0.01 . 1 . . . C 29 DG H2'' . 17732 1 164 . 4 4 13 13 DG H8 H 1 7.46 0.01 . 1 . . . C 29 DG H8 . 17732 1 165 . 4 4 14 14 DG H1 H 1 12.87 0.01 . 1 . . . C 30 DG H1 . 17732 1 166 . 4 4 14 14 DG H1' H 1 5.87 0.01 . 1 . . . C 30 DG H1' . 17732 1 167 . 4 4 14 14 DG H2' H 1 2.42 0.01 . 1 . . . C 30 DG H2' . 17732 1 168 . 4 4 14 14 DG H2'' H 1 2.65 0.01 . 1 . . . C 30 DG H2'' . 17732 1 169 . 4 4 14 14 DG H8 H 1 7.57 0.01 . 1 . . . C 30 DG H8 . 17732 1 170 . 4 4 15 15 DC H1' H 1 5.77 0.01 . 1 . . . C 31 CYT H1' . 17732 1 171 . 4 4 15 15 DC H2' H 1 1.93 0.01 . 1 . . . C 31 CYT H2' . 17732 1 172 . 4 4 15 15 DC H2'' H 1 2.34 0.01 . 1 . . . C 31 CYT H2'' . 17732 1 173 . 4 4 15 15 DC H3' H 1 4.82 0.01 . 1 . . . C 31 CYT H3' . 17732 1 174 . 4 4 15 15 DC H5 H 1 5.28 0.01 . 1 . . . C 31 CYT H5 . 17732 1 175 . 4 4 15 15 DC H6 H 1 7.28 0.01 . 1 . . . C 31 CYT H6 . 17732 1 176 . 4 4 16 16 DG H1' H 1 6.18 0.01 . 1 . . . C 32 GUA H1' . 17732 1 177 . 4 4 16 16 DG H2' H 1 2.38 0.01 . 1 . . . C 32 GUA H2' . 17732 1 178 . 4 4 16 16 DG H2'' H 1 2.61 0.01 . 1 . . . C 32 GUA H2'' . 17732 1 179 . 4 4 16 16 DG H3' H 1 4.68 0.01 . 1 . . . C 32 GUA H3' . 17732 1 180 . 4 4 16 16 DG H4' H 1 4.19 0.01 . 1 . . . C 32 GUA H4' . 17732 1 181 . 4 4 16 16 DG H5' H 1 4.08 0.01 . 2 . . . C 32 GUA H5'# . 17732 1 182 . 4 4 16 16 DG H5'' H 1 4.08 0.01 . 2 . . . C 32 GUA H5'# . 17732 1 183 . 4 4 16 16 DG H8 H 1 7.92 0.01 . 1 . . . C 32 GUA H8 . 17732 1 184 . 1 1 8 8 VAL H H 1 8.00 0.01 . 1 . . . A 399 VAL HN . 17732 1 185 . 1 1 8 8 VAL HA H 1 4.19 0.01 . 1 . . . A 399 VAL HA . 17732 1 186 . 1 1 8 8 VAL HB H 1 2.08 0.01 . 1 . . . A 399 VAL HB . 17732 1 187 . 1 1 8 8 VAL HG11 H 1 0.93 0.01 . 2 . . . A 399 VAL HG# . 17732 1 188 . 1 1 8 8 VAL HG12 H 1 0.93 0.01 . 2 . . . A 399 VAL HG# . 17732 1 189 . 1 1 8 8 VAL HG13 H 1 0.93 0.01 . 2 . . . A 399 VAL HG# . 17732 1 190 . 1 1 8 8 VAL HG21 H 1 0.93 0.01 . 2 . . . A 399 VAL HG# . 17732 1 191 . 1 1 8 8 VAL HG22 H 1 0.93 0.01 . 2 . . . A 399 VAL HG# . 17732 1 192 . 1 1 8 8 VAL HG23 H 1 0.93 0.01 . 2 . . . A 399 VAL HG# . 17732 1 193 . 1 1 8 8 VAL CA C 13 62.3 0.1 . 1 . . . A 399 VAL CA . 17732 1 194 . 1 1 8 8 VAL N N 15 119.6 0.1 . 1 . . . A 399 VAL N . 17732 1 195 . 1 1 9 9 GLN H H 1 8.56 0.01 . 1 . . . A 400 GLN HN . 17732 1 196 . 1 1 9 9 GLN HA H 1 4.57 0.01 . 1 . . . A 400 GLN HA . 17732 1 197 . 1 1 9 9 GLN HB2 H 1 2.01 0.01 . 2 . . . A 400 GLN HB2 . 17732 1 198 . 1 1 9 9 GLN HB3 H 1 2.13 0.01 . 2 . . . A 400 GLN HB3 . 17732 1 199 . 1 1 9 9 GLN HG2 H 1 2.38 0.01 . 2 . . . A 400 GLN HG# . 17732 1 200 . 1 1 9 9 GLN HG3 H 1 2.38 0.01 . 2 . . . A 400 GLN HG# . 17732 1 201 . 1 1 9 9 GLN HE21 H 1 6.83 0.01 . 2 . . . A 400 GLN HE21 . 17732 1 202 . 1 1 9 9 GLN HE22 H 1 7.48 0.01 . 2 . . . A 400 GLN HE22 . 17732 1 203 . 1 1 9 9 GLN CA C 13 55.6 0.1 . 1 . . . A 400 GLN CA . 17732 1 204 . 1 1 9 9 GLN N N 15 124.8 0.1 . 1 . . . A 400 GLN N . 17732 1 205 . 1 1 9 9 GLN NE2 N 15 112.5 0.1 . 1 . . . A 400 GLN NE2 . 17732 1 206 . 1 1 10 10 THR H H 1 8.38 0.01 . 1 . . . A 401 THR HN . 17732 1 207 . 1 1 10 10 THR HA H 1 4.53 0.01 . 1 . . . A 401 THR HA . 17732 1 208 . 1 1 10 10 THR HB H 1 4.24 0.01 . 1 . . . A 401 THR HB . 17732 1 209 . 1 1 10 10 THR HG21 H 1 1.21 0.01 . 1 . . . A 401 THR HG2# . 17732 1 210 . 1 1 10 10 THR HG22 H 1 1.21 0.01 . 1 . . . A 401 THR HG2# . 17732 1 211 . 1 1 10 10 THR HG23 H 1 1.21 0.01 . 1 . . . A 401 THR HG2# . 17732 1 212 . 1 1 10 10 THR CA C 13 61.6 0.1 . 1 . . . A 401 THR CA . 17732 1 213 . 1 1 10 10 THR N N 15 116.7 0.1 . 1 . . . A 401 THR N . 17732 1 214 . 1 1 11 11 THR H H 1 8.28 0.01 . 1 . . . A 402 THR HN . 17732 1 215 . 1 1 11 11 THR HA H 1 4.51 0.01 . 1 . . . A 402 THR HA . 17732 1 216 . 1 1 11 11 THR HB H 1 4.25 0.01 . 1 . . . A 402 THR HB . 17732 1 217 . 1 1 11 11 THR HG21 H 1 1.21 0.01 . 1 . . . A 402 THR HG2# . 17732 1 218 . 1 1 11 11 THR HG22 H 1 1.21 0.01 . 1 . . . A 402 THR HG2# . 17732 1 219 . 1 1 11 11 THR HG23 H 1 1.21 0.01 . 1 . . . A 402 THR HG2# . 17732 1 220 . 1 1 11 11 THR CA C 13 61.7 0.1 . 1 . . . A 402 THR CA . 17732 1 221 . 1 1 11 11 THR N N 15 116.6 0.1 . 1 . . . A 402 THR N . 17732 1 222 . 1 1 12 12 SER H H 1 8.43 0.01 . 1 . . . A 403 SER HN . 17732 1 223 . 1 1 12 12 SER HA H 1 4.56 0.01 . 1 . . . A 403 SER HA . 17732 1 224 . 1 1 12 12 SER HB2 H 1 3.89 0.01 . 2 . . . A 403 SER HB# . 17732 1 225 . 1 1 12 12 SER HB3 H 1 3.89 0.01 . 2 . . . A 403 SER HB# . 17732 1 226 . 1 1 12 12 SER CA C 13 58.3 0.1 . 1 . . . A 403 SER CA . 17732 1 227 . 1 1 12 12 SER N N 15 118.4 0.1 . 1 . . . A 403 SER N . 17732 1 228 . 1 1 13 13 GLU H H 1 8.55 0.01 . 1 . . . A 404 GLU HN . 17732 1 229 . 1 1 13 13 GLU HA H 1 4.34 0.01 . 1 . . . A 404 GLU HA . 17732 1 230 . 1 1 13 13 GLU HB2 H 1 1.96 0.01 . 2 . . . A 404 GLU HB2 . 17732 1 231 . 1 1 13 13 GLU HB3 H 1 2.08 0.01 . 2 . . . A 404 GLU HB3 . 17732 1 232 . 1 1 13 13 GLU HG2 H 1 2.27 0.01 . 2 . . . A 404 GLU HG2 . 17732 1 233 . 1 1 13 13 GLU HG3 H 1 2.30 0.01 . 2 . . . A 404 GLU HG3 . 17732 1 234 . 1 1 13 13 GLU CA C 13 57.1 0.1 . 1 . . . A 404 GLU CA . 17732 1 235 . 1 1 13 13 GLU N N 15 123.3 0.1 . 1 . . . A 404 GLU N . 17732 1 236 . 1 1 14 14 VAL H H 1 8.00 0.01 . 1 . . . A 405 VAL HN . 17732 1 237 . 1 1 14 14 VAL HA H 1 4.10 0.01 . 1 . . . A 405 VAL HA . 17732 1 238 . 1 1 14 14 VAL HB H 1 2.05 0.01 . 1 . . . A 405 VAL HB . 17732 1 239 . 1 1 14 14 VAL HG11 H 1 0.90 0.01 . 2 . . . A 405 VAL HG# . 17732 1 240 . 1 1 14 14 VAL HG12 H 1 0.90 0.01 . 2 . . . A 405 VAL HG# . 17732 1 241 . 1 1 14 14 VAL HG13 H 1 0.90 0.01 . 2 . . . A 405 VAL HG# . 17732 1 242 . 1 1 14 14 VAL HG21 H 1 0.90 0.01 . 2 . . . A 405 VAL HG# . 17732 1 243 . 1 1 14 14 VAL HG22 H 1 0.90 0.01 . 2 . . . A 405 VAL HG# . 17732 1 244 . 1 1 14 14 VAL HG23 H 1 0.90 0.01 . 2 . . . A 405 VAL HG# . 17732 1 245 . 1 1 14 14 VAL CA C 13 62.3 0.1 . 1 . . . A 405 VAL CA . 17732 1 246 . 1 1 14 14 VAL N N 15 119.1 0.1 . 1 . . . A 405 VAL N . 17732 1 247 . 1 1 15 15 ASP H H 1 8.25 0.01 . 1 . . . A 406 ASP HN . 17732 1 248 . 1 1 15 15 ASP HA H 1 4.58 0.01 . 1 . . . A 406 ASP HA . 17732 1 249 . 1 1 15 15 ASP HB2 H 1 2.58 0.01 . 1 . . . A 406 ASP HB2 . 17732 1 250 . 1 1 15 15 ASP HB3 H 1 2.70 0.01 . 1 . . . A 406 ASP HB3 . 17732 1 251 . 1 1 15 15 ASP CA C 13 54.5 0.1 . 1 . . . A 406 ASP CA . 17732 1 252 . 1 1 15 15 ASP N N 15 123.4 0.1 . 1 . . . a 406 ASP N . 17732 1 253 . 1 1 16 16 LEU H H 1 8.02 0.01 . 1 . . . A 407 LEU HN . 17732 1 254 . 1 1 16 16 LEU HA H 1 4.24 0.01 . 1 . . . A 407 LEU HA . 17732 1 255 . 1 1 16 16 LEU HB2 H 1 1.55 0.01 . 2 . . . A 407 LEU HB2 . 17732 1 256 . 1 1 16 16 LEU HB3 H 1 1.55 0.01 . 2 . . . A 407 LEU HB3 . 17732 1 257 . 1 1 16 16 LEU HG H 1 1.54 0.01 . 1 . . . A 407 LEU HG . 17732 1 258 . 1 1 16 16 LEU HD11 H 1 0.78 0.01 . 2 . . . A 407 LEU HD11 . 17732 1 259 . 1 1 16 16 LEU HD12 H 1 0.78 0.01 . 2 . . . A 407 LEU HD12 . 17732 1 260 . 1 1 16 16 LEU HD13 H 1 0.78 0.01 . 2 . . . A 407 LEU HD13 . 17732 1 261 . 1 1 16 16 LEU HD21 H 1 0.81 0.01 . 2 . . . A 407 LEU HD21 . 17732 1 262 . 1 1 16 16 LEU HD22 H 1 0.81 0.01 . 2 . . . A 407 LEU HD22 . 17732 1 263 . 1 1 16 16 LEU HD23 H 1 0.81 0.01 . 2 . . . A 407 LEU HD23 . 17732 1 264 . 1 1 16 16 LEU CA C 13 55.0 0.1 . 1 . . . A 407 LEU CA . 17732 1 265 . 1 1 16 16 LEU N N 15 122.6 0.1 . 1 . . . A 407 LEU N . 17732 1 266 . 1 1 17 17 LEU H H 1 8.09 0.01 . 1 . . . A 408 LEU H . 17732 1 267 . 1 1 17 17 LEU HA H 1 4.26 0.01 . 1 . . . A 408 LEU HA . 17732 1 268 . 1 1 17 17 LEU HB2 H 1 1.62 0.01 . 2 . . . A 408 LEU HB2 . 17732 1 269 . 1 1 17 17 LEU HB3 H 1 1.52 0.01 . 2 . . . A 408 LEU HB3 . 17732 1 270 . 1 1 17 17 LEU HG H 1 1.58 0.01 . 1 . . . A 408 LEU HG . 17732 1 271 . 1 1 17 17 LEU HD11 H 1 0.81 0.01 . 2 . . . A 408 LEU HD11 . 17732 1 272 . 1 1 17 17 LEU HD12 H 1 0.81 0.01 . 2 . . . A 408 LEU HD12 . 17732 1 273 . 1 1 17 17 LEU HD13 H 1 0.81 0.01 . 2 . . . A 408 LEU HD13 . 17732 1 274 . 1 1 17 17 LEU HD21 H 1 0.88 0.01 . 2 . . . A 408 LEU HD21 . 17732 1 275 . 1 1 17 17 LEU HD22 H 1 0.88 0.01 . 2 . . . A 408 LEU HD22 . 17732 1 276 . 1 1 17 17 LEU HD23 H 1 0.88 0.01 . 2 . . . A 408 LEU HD23 . 17732 1 277 . 1 1 17 17 LEU CA C 13 55.0 0.1 . 1 . . . A 408 LEU CA . 17732 1 278 . 1 1 17 17 LEU N N 15 122.6 0.1 . 1 . . . A 408 LEU N . 17732 1 279 . 1 1 18 18 ASP H H 1 8.14 0.01 . 1 . . . A 409 ASP H . 17732 1 280 . 1 1 18 18 ASP HA H 1 4.64 0.01 . 1 . . . A 409 ASP HA . 17732 1 281 . 1 1 18 18 ASP HB2 H 1 2.82 0.01 . 1 . . . A 409 ASP HB2 . 17732 1 282 . 1 1 18 18 ASP HB3 H 1 2.68 0.01 . 1 . . . A 409 ASP HB3 . 17732 1 283 . 1 1 18 18 ASP CA C 13 55.1 0.1 . 1 . . . A 409 ASP CA . 17732 1 284 . 1 1 18 18 ASP N N 15 122.5 0.1 . 1 . . . A 409 ASP N . 17732 1 285 . 1 1 19 19 ASP H H 1 8.57 0.01 . 1 . . . A 410 ASP H . 17732 1 286 . 1 1 19 19 ASP HA H 1 4.50 0.01 . 1 . . . A 410 ASP HA . 17732 1 287 . 1 1 19 19 ASP CA C 13 53.2 0.1 . 1 . . . A 410 ASP CA . 17732 1 288 . 1 1 20 20 GLY H H 1 8.52 0.01 . 1 . . . A 411 GLY H . 17732 1 289 . 1 1 20 20 GLY HA2 H 1 4.04 0.01 . 2 . . . A 411 GLY HA2 . 17732 1 290 . 1 1 20 20 GLY HA3 H 1 3.55 0.01 . 2 . . . A 411 GLY HA3 . 17732 1 291 . 1 1 20 20 GLY CA C 13 45.3 0.1 . 1 . . . A 411 GLY CA . 17732 1 292 . 1 1 20 20 GLY N N 15 108.4 0.1 . 1 . . . A 411 GLY N . 17732 1 293 . 1 1 21 21 TYR H H 1 8.16 0.01 . 1 . . . A 412 TYR H . 17732 1 294 . 1 1 21 21 TYR HA H 1 4.35 0.01 . 1 . . . A 412 TYR HA . 17732 1 295 . 1 1 21 21 TYR HB2 H 1 2.35 0.01 . 1 . . . A 412 TYR HB2 . 17732 1 296 . 1 1 21 21 TYR HB3 H 1 2.81 0.01 . 1 . . . A 412 TYR HB3 . 17732 1 297 . 1 1 21 21 TYR HD1 H 1 6.88 0.01 . 3 . . . A 412 TYR HD1 . 17732 1 298 . 1 1 21 21 TYR HD2 H 1 6.88 0.01 . 3 . . . A 412 TYR HD2 . 17732 1 299 . 1 1 21 21 TYR HE1 H 1 6.11 0.01 . 3 . . . A 412 TYR HE1 . 17732 1 300 . 1 1 21 21 TYR HE2 H 1 6.11 0.01 . 3 . . . A 412 TYR HE2 . 17732 1 301 . 1 1 21 21 TYR CA C 13 58.0 0.1 . 1 . . . A 412 TYR CA . 17732 1 302 . 1 1 21 21 TYR N N 15 118.6 0.1 . 1 . . . A 412 TYR N . 17732 1 303 . 1 1 22 22 ARG H H 1 8.75 0.01 . 1 . . . A 413 ARG H . 17732 1 304 . 1 1 22 22 ARG HA H 1 4.78 0.01 . 1 . . . A 413 ARG HA . 17732 1 305 . 1 1 22 22 ARG HB2 H 1 1.64 0.01 . 2 . . . A 413 ARG HB2 . 17732 1 306 . 1 1 22 22 ARG HB3 H 1 1.64 0.01 . 2 . . . A 413 ARG HB3 . 17732 1 307 . 1 1 22 22 ARG HG2 H 1 1.57 0.01 . 2 . . . A 413 ARG HG2 . 17732 1 308 . 1 1 22 22 ARG HG3 H 1 1.51 0.01 . 2 . . . A 413 ARG HG3 . 17732 1 309 . 1 1 22 22 ARG HD2 H 1 3.17 0.01 . 2 . . . A 413 ARG HD2 . 17732 1 310 . 1 1 22 22 ARG HD3 H 1 3.17 0.01 . 2 . . . A 413 ARG HD3 . 17732 1 311 . 1 1 22 22 ARG HE H 1 7.26 0.01 . 1 . . . A 413 ARG HE . 17732 1 312 . 1 1 22 22 ARG CA C 13 55.1 0.1 . 1 . . . A 413 ARG CA . 17732 1 313 . 1 1 22 22 ARG N N 15 121.1 0.1 . 1 . . . A 413 ARG N . 17732 1 314 . 1 1 22 22 ARG NE N 15 85.4 0.1 . 1 . . . A 413 ARG NE . 17732 1 315 . 1 1 23 23 TRP H H 1 8.25 0.01 . 1 . . . A 414 TRP H . 17732 1 316 . 1 1 23 23 TRP HA H 1 5.58 0.01 . 1 . . . A 414 TRP HA . 17732 1 317 . 1 1 23 23 TRP HB2 H 1 3.36 0.01 . 1 . . . A 414 TRP HB2 . 17732 1 318 . 1 1 23 23 TRP HB3 H 1 2.90 0.01 . 1 . . . A 414 TRP HB3 . 17732 1 319 . 1 1 23 23 TRP HD1 H 1 7.23 0.01 . 1 . . . A 414 TRP HD1 . 17732 1 320 . 1 1 23 23 TRP HE1 H 1 12.53 0.01 . 1 . . . A 414 TRP HE1 . 17732 1 321 . 1 1 23 23 TRP HE3 H 1 7.27 0.01 . 1 . . . A 414 TRP HE3 . 17732 1 322 . 1 1 23 23 TRP HZ2 H 1 7.90 0.01 . 1 . . . A 414 TRP HZ2 . 17732 1 323 . 1 1 23 23 TRP HZ3 H 1 6.87 0.01 . 1 . . . A 414 TRP HZ3 . 17732 1 324 . 1 1 23 23 TRP HH2 H 1 7.07 0.01 . 1 . . . A 414 TRP HH2 . 17732 1 325 . 1 1 23 23 TRP CA C 13 56.1 0.1 . 1 . . . A 414 TRP CA . 17732 1 326 . 1 1 23 23 TRP N N 15 120.6 0.1 . 1 . . . A 414 TRP N . 17732 1 327 . 1 1 23 23 TRP NE1 N 15 136.4 0.1 . 1 . . . A 414 TRP NE1 . 17732 1 328 . 1 1 24 24 ARG H H 1 9.45 0.01 . 1 . . . A 415 ARG H . 17732 1 329 . 1 1 24 24 ARG HA H 1 5.28 0.01 . 1 . . . A 415 ARG HA . 17732 1 330 . 1 1 24 24 ARG HB2 H 1 1.90 0.01 . 2 . . . A 415 ARG HB2 . 17732 1 331 . 1 1 24 24 ARG HB3 H 1 1.83 0.01 . 2 . . . A 415 ARG HB3 . 17732 1 332 . 1 1 24 24 ARG HG2 H 1 1.89 0.01 . 2 . . . A 415 ARG HG2 . 17732 1 333 . 1 1 24 24 ARG HG3 H 1 1.76 0.01 . 2 . . . A 415 ARG HG3 . 17732 1 334 . 1 1 24 24 ARG HD2 H 1 3.36 0.01 . 2 . . . A 415 ARG HD2 . 17732 1 335 . 1 1 24 24 ARG HD3 H 1 3.30 0.01 . 2 . . . A 415 ARG HD3 . 17732 1 336 . 1 1 24 24 ARG HE H 1 7.75 0.01 . 1 . . . A 415 ARG HE . 17732 1 337 . 1 1 24 24 ARG CA C 13 54.6 0.1 . 1 . . . A 415 ARG CA . 17732 1 338 . 1 1 24 24 ARG N N 15 122.9 0.1 . 1 . . . A 415 ARG N . 17732 1 339 . 1 1 24 24 ARG NE N 15 84.9 0.1 . 1 . . . A 415 ARG NE . 17732 1 340 . 1 1 25 25 LYS H H 1 11.12 0.01 . 1 . . . A 416 LYS H . 17732 1 341 . 1 1 25 25 LYS HA H 1 4.36 0.01 . 1 . . . A 416 LYS HA . 17732 1 342 . 1 1 25 25 LYS HB2 H 1 1.79 0.01 . 2 . . . A 416 LYS HB2 . 17732 1 343 . 1 1 25 25 LYS HB3 H 1 1.67 0.01 . 2 . . . A 416 LYS HB3 . 17732 1 344 . 1 1 25 25 LYS HG2 H 1 1.22 0.01 . 2 . . . A 416 LYS HG2 . 17732 1 345 . 1 1 25 25 LYS HG3 H 1 0.91 0.01 . 2 . . . A 416 LYS HG3 . 17732 1 346 . 1 1 25 25 LYS HD2 H 1 1.58 0.01 . 2 . . . A 416 LYS HD2 . 17732 1 347 . 1 1 25 25 LYS HD3 H 1 1.58 0.01 . 2 . . . A 416 LYS HD3 . 17732 1 348 . 1 1 25 25 LYS HE2 H 1 2.86 0.01 . 2 . . . A 416 LYS HE2 . 17732 1 349 . 1 1 25 25 LYS HE3 H 1 2.86 0.01 . 2 . . . A 416 LYS HE3 . 17732 1 350 . 1 1 25 25 LYS CA C 13 57.0 0.1 . 1 . . . A 416 LYS CA . 17732 1 351 . 1 1 25 25 LYS N N 15 134.7 0.1 . 1 . . . A 416 LYS N . 17732 1 352 . 1 1 26 26 TYR H H 1 8.90 0.01 . 1 . . . A 417 TYR H . 17732 1 353 . 1 1 26 26 TYR HA H 1 5.26 0.01 . 1 . . . A 417 TYR HA . 17732 1 354 . 1 1 26 26 TYR HB2 H 1 2.61 0.01 . 2 . . . A 417 TYR HB2 . 17732 1 355 . 1 1 26 26 TYR HB3 H 1 3.64 0.01 . 2 . . . A 417 TYR HB3 . 17732 1 356 . 1 1 26 26 TYR HD1 H 1 6.95 0.01 . 3 . . . A 417 TYR HD1 . 17732 1 357 . 1 1 26 26 TYR HD2 H 1 6.95 0.01 . 3 . . . A 417 TYR HD2 . 17732 1 358 . 1 1 26 26 TYR HE1 H 1 6.70 0.01 . 3 . . . A 417 TYR HE1 . 17732 1 359 . 1 1 26 26 TYR HE2 H 1 6.70 0.01 . 3 . . . A 417 TYR HE2 . 17732 1 360 . 1 1 26 26 TYR CA C 13 56.0 0.1 . 1 . . . A 417 TYR CA . 17732 1 361 . 1 1 26 26 TYR N N 15 118.6 0.1 . 1 . . . A 417 TYR N . 17732 1 362 . 1 1 27 27 GLY H H 1 6.99 0.01 . 1 . . . A 418 GLY H . 17732 1 363 . 1 1 27 27 GLY CA C 13 45.9 0.1 . 1 . . . A 418 GLY CA . 17732 1 364 . 1 1 27 27 GLY N N 15 105.3 0.1 . 1 . . . A 418 GLY N . 17732 1 365 . 1 1 28 28 GLN H H 1 9.00 0.01 . 1 . . . A 419 GLN H . 17732 1 366 . 1 1 28 28 GLN HA H 1 5.48 0.01 . 1 . . . A 419 GLN HA . 17732 1 367 . 1 1 28 28 GLN HB2 H 1 1.86 0.01 . 2 . . . A 419 GLN HB2 . 17732 1 368 . 1 1 28 28 GLN HB3 H 1 1.86 0.01 . 2 . . . A 419 GLN HB3 . 17732 1 369 . 1 1 28 28 GLN HG2 H 1 2.10 0.01 . 2 . . . A 419 GLN HG2 . 17732 1 370 . 1 1 28 28 GLN HG3 H 1 2.01 0.01 . 2 . . . A 419 GLN HG3 . 17732 1 371 . 1 1 28 28 GLN HE21 H 1 7.74 0.01 . 2 . . . A 419 GLN HE21 . 17732 1 372 . 1 1 28 28 GLN HE22 H 1 7.07 0.01 . 2 . . . A 419 GLN HE22 . 17732 1 373 . 1 1 28 28 GLN CA C 13 56.6 0.1 . 1 . . . A 419 GLN CA . 17732 1 374 . 1 1 28 28 GLN N N 15 122.6 0.1 . 1 . . . A 419 GLN N . 17732 1 375 . 1 1 28 28 GLN NE2 N 15 114.4 0.1 . 1 . . . A 419 GLN NE2 . 17732 1 376 . 1 1 29 29 LYS H H 1 9.14 0.01 . 1 . . . A 420 LYS H . 17732 1 377 . 1 1 29 29 LYS HA H 1 4.90 0.01 . 1 . . . A 420 LYS HA . 17732 1 378 . 1 1 29 29 LYS HB2 H 1 1.81 0.01 . 2 . . . A 420 LYS HB2 . 17732 1 379 . 1 1 29 29 LYS HB3 H 1 1.81 0.01 . 2 . . . A 420 LYS HB3 . 17732 1 380 . 1 1 29 29 LYS HG2 H 1 1.34 0.01 . 2 . . . A 420 LYS HG2 . 17732 1 381 . 1 1 29 29 LYS HG3 H 1 1.34 0.01 . 2 . . . A 420 LYS HG3 . 17732 1 382 . 1 1 29 29 LYS HD2 H 1 1.70 0.01 . 2 . . . A 420 LYS HD2 . 17732 1 383 . 1 1 29 29 LYS HD3 H 1 1.65 0.01 . 2 . . . A 420 LYS HD3 . 17732 1 384 . 1 1 29 29 LYS HE2 H 1 2.86 0.01 . 2 . . . A 420 LYS HE2 . 17732 1 385 . 1 1 29 29 LYS HE3 H 1 2.86 0.01 . 2 . . . A 420 LYS HE3 . 17732 1 386 . 1 1 29 29 LYS CA C 13 52.8 0.1 . 1 . . . A 420 LYS CA . 17732 1 387 . 1 1 29 29 LYS N N 15 123.0 0.1 . 1 . . . A 420 LYS N . 17732 1 388 . 1 1 30 30 VAL H H 1 8.55 0.01 . 1 . . . A 421 VAL H . 17732 1 389 . 1 1 30 30 VAL HA H 1 4.28 0.01 . 1 . . . A 421 VAL HA . 17732 1 390 . 1 1 30 30 VAL HB H 1 1.97 0.01 . 1 . . . A 421 VAL HB . 17732 1 391 . 1 1 30 30 VAL HG11 H 1 0.94 0.01 . 1 . . . A 421 VAL HG11 . 17732 1 392 . 1 1 30 30 VAL HG12 H 1 0.94 0.01 . 1 . . . A 421 VAL HG12 . 17732 1 393 . 1 1 30 30 VAL HG13 H 1 0.94 0.01 . 1 . . . A 421 VAL HG13 . 17732 1 394 . 1 1 30 30 VAL HG21 H 1 0.88 0.01 . 1 . . . A 421 VAL HG21 . 17732 1 395 . 1 1 30 30 VAL HG22 H 1 0.88 0.01 . 1 . . . A 421 VAL HG22 . 17732 1 396 . 1 1 30 30 VAL HG23 H 1 0.88 0.01 . 1 . . . A 421 VAL HG23 . 17732 1 397 . 1 1 30 30 VAL CA C 13 63.1 0.1 . 1 . . . A 421 VAL CA . 17732 1 398 . 1 1 30 30 VAL N N 15 122.8 0.1 . 1 . . . A 421 VAL N . 17732 1 399 . 1 1 31 31 VAL H H 1 9.50 0.01 . 1 . . . A 422 VAL H . 17732 1 400 . 1 1 31 31 VAL HA H 1 4.57 0.01 . 1 . . . A 422 VAL HA . 17732 1 401 . 1 1 31 31 VAL HB H 1 2.26 0.01 . 1 . . . A 422 VAL HB . 17732 1 402 . 1 1 31 31 VAL HG11 H 1 0.99 0.01 . 1 . . . A 422 VAL HG11 . 17732 1 403 . 1 1 31 31 VAL HG12 H 1 0.99 0.01 . 1 . . . A 422 VAL HG12 . 17732 1 404 . 1 1 31 31 VAL HG13 H 1 0.99 0.01 . 1 . . . A 422 VAL HG13 . 17732 1 405 . 1 1 31 31 VAL HG21 H 1 0.88 0.01 . 1 . . . A 422 VAL HG21 . 17732 1 406 . 1 1 31 31 VAL HG22 H 1 0.88 0.01 . 1 . . . A 422 VAL HG22 . 17732 1 407 . 1 1 31 31 VAL HG23 H 1 0.88 0.01 . 1 . . . A 422 VAL HG23 . 17732 1 408 . 1 1 31 31 VAL CA C 13 60.2 0.1 . 1 . . . A 422 VAL CA . 17732 1 409 . 1 1 31 31 VAL N N 15 128.6 0.1 . 1 . . . A 422 VAL N . 17732 1 410 . 1 1 32 32 LYS H H 1 8.88 0.01 . 1 . . . A 423 LYS H . 17732 1 411 . 1 1 32 32 LYS HA H 1 3.94 0.01 . 1 . . . A 423 LYS HA . 17732 1 412 . 1 1 32 32 LYS HB2 H 1 1.85 0.01 . 2 . . . A 423 LYS HB2 . 17732 1 413 . 1 1 32 32 LYS HB3 H 1 1.82 0.01 . 2 . . . A 423 LYS HB3 . 17732 1 414 . 1 1 32 32 LYS HG2 H 1 1.60 0.01 . 2 . . . A 423 LYS HG2 . 17732 1 415 . 1 1 32 32 LYS HG3 H 1 1.45 0.01 . 2 . . . A 423 LYS HG3 . 17732 1 416 . 1 1 32 32 LYS HD2 H 1 1.75 0.01 . 2 . . . A 423 LYS HD2 . 17732 1 417 . 1 1 32 32 LYS HD3 H 1 1.72 0.01 . 2 . . . A 423 LYS HD3 . 17732 1 418 . 1 1 32 32 LYS HE2 H 1 3.00 0.01 . 2 . . . A 423 LYS HE2 . 17732 1 419 . 1 1 32 32 LYS HE3 H 1 3.00 0.01 . 2 . . . A 423 LYS HE3 . 17732 1 420 . 1 1 32 32 LYS CA C 13 58.3 0.1 . 1 . . . A 423 LYS CA . 17732 1 421 . 1 1 32 32 LYS N N 15 123.8 0.1 . 1 . . . A 423 LYS N . 17732 1 422 . 1 1 33 33 GLY H H 1 8.60 0.01 . 1 . . . A 424 GLY H . 17732 1 423 . 1 1 33 33 GLY HA2 H 1 4.18 0.01 . 2 . . . A 424 GLY HA2 . 17732 1 424 . 1 1 33 33 GLY HA3 H 1 3.65 0.01 . 2 . . . A 424 GLY HA3 . 17732 1 425 . 1 1 33 33 GLY CA C 13 45.3 0.1 . 1 . . . A 424 GLY CA . 17732 1 426 . 1 1 33 33 GLY N N 15 110.8 0.1 . 1 . . . A 424 GLY N . 17732 1 427 . 1 1 34 34 ASN H H 1 7.60 0.01 . 1 . . . A 425 ASN H . 17732 1 428 . 1 1 34 34 ASN HA H 1 5.14 0.01 . 1 . . . A 425 ASN HA . 17732 1 429 . 1 1 34 34 ASN HB2 H 1 2.69 0.01 . 1 . . . A 425 ASN HB2 . 17732 1 430 . 1 1 34 34 ASN HB3 H 1 3.16 0.01 . 1 . . . A 425 ASN HB3 . 17732 1 431 . 1 1 34 34 ASN HD21 H 1 7.64 0.01 . 2 . . . A 425 ASN HD21 . 17732 1 432 . 1 1 34 34 ASN HD22 H 1 7.57 0.01 . 2 . . . A 425 ASN HD22 . 17732 1 433 . 1 1 34 34 ASN CA C 13 50.1 0.1 . 1 . . . A 425 ASN CA . 17732 1 434 . 1 1 34 34 ASN N N 15 119.8 0.1 . 1 . . . A 425 ASN N . 17732 1 435 . 1 1 34 34 ASN ND2 N 15 110.6 0.1 . 1 . . . A 425 ASN ND2 . 17732 1 436 . 1 1 35 35 PRO HA H 1 4.30 0.01 . 1 . . . A 426 PRO HA . 17732 1 437 . 1 1 35 35 PRO HB2 H 1 1.28 0.01 . 2 . . . A 426 PRO HB2 . 17732 1 438 . 1 1 35 35 PRO HB3 H 1 2.04 0.01 . 2 . . . A 426 PRO HB3 . 17732 1 439 . 1 1 35 35 PRO HG2 H 1 1.79 0.01 . 2 . . . A 426 PRO HG2 . 17732 1 440 . 1 1 35 35 PRO HG3 H 1 1.32 0.01 . 2 . . . A 426 PRO HG3 . 17732 1 441 . 1 1 35 35 PRO HD2 H 1 3.92 0.01 . 2 . . . A 426 PRO HD2 . 17732 1 442 . 1 1 35 35 PRO HD3 H 1 3.65 0.01 . 2 . . . A 426 PRO HD3 . 17732 1 443 . 1 1 35 35 PRO CA C 13 63.4 0.1 . 1 . . . A 426 PRO CA . 17732 1 444 . 1 1 36 36 TYR H H 1 8.12 0.01 . 1 . . . A 427 TYR H . 17732 1 445 . 1 1 36 36 TYR HA H 1 4.89 0.01 . 1 . . . A 427 TYR HA . 17732 1 446 . 1 1 36 36 TYR HB2 H 1 3.29 0.01 . 2 . . . A 427 TYR HB2 . 17732 1 447 . 1 1 36 36 TYR HB3 H 1 2.90 0.01 . 2 . . . A 427 TYR HB3 . 17732 1 448 . 1 1 36 36 TYR HD1 H 1 7.20 0.01 . 3 . . . A 427 TYR HD1 . 17732 1 449 . 1 1 36 36 TYR HD2 H 1 7.20 0.01 . 3 . . . A 427 TYR HD2 . 17732 1 450 . 1 1 36 36 TYR HE1 H 1 6.81 0.01 . 3 . . . A 427 TYR HE1 . 17732 1 451 . 1 1 36 36 TYR HE2 H 1 6.81 0.01 . 3 . . . A 427 TYR HE2 . 17732 1 452 . 1 1 36 36 TYR CA C 13 55.1 0.1 . 1 . . . A 427 TYR CA . 17732 1 453 . 1 1 36 36 TYR N N 15 121.1 0.1 . 1 . . . A 427 TYR N . 17732 1 454 . 1 1 37 37 PRO HA H 1 4.42 0.01 . 1 . . . A 428 PRO HA . 17732 1 455 . 1 1 37 37 PRO HB2 H 1 1.64 0.01 . 2 . . . A 428 PRO HB2 . 17732 1 456 . 1 1 37 37 PRO HB3 H 1 2.11 0.01 . 2 . . . A 428 PRO HB3 . 17732 1 457 . 1 1 37 37 PRO HG2 H 1 2.00 0.01 . 2 . . . A 428 PRO HG2 . 17732 1 458 . 1 1 37 37 PRO HG3 H 1 2.00 0.01 . 2 . . . A 428 PRO HG3 . 17732 1 459 . 1 1 37 37 PRO HD2 H 1 3.97 0.01 . 2 . . . A 428 PRO HD2 . 17732 1 460 . 1 1 37 37 PRO HD3 H 1 3.79 0.01 . 2 . . . A 428 PRO HD3 . 17732 1 461 . 1 1 37 37 PRO CA C 13 63.3 0.1 . 1 . . . A 428 PRO CA . 17732 1 462 . 1 1 38 38 ARG H H 1 9.28 0.01 . 1 . . . A 429 ARG H . 17732 1 463 . 1 1 38 38 ARG HA H 1 4.68 0.01 . 1 . . . A 429 ARG HA . 17732 1 464 . 1 1 38 38 ARG HB2 H 1 1.79 0.01 . 2 . . . A 429 ARG HB2 . 17732 1 465 . 1 1 38 38 ARG HB3 H 1 1.71 0.01 . 2 . . . A 429 ARG HB3 . 17732 1 466 . 1 1 38 38 ARG HG2 H 1 1.24 0.01 . 2 . . . A 429 ARG HG2 . 17732 1 467 . 1 1 38 38 ARG HG3 H 1 1.00 0.01 . 2 . . . A 429 ARG HG3 . 17732 1 468 . 1 1 38 38 ARG HD2 H 1 2.21 0.01 . 2 . . . A 429 ARG HD2 . 17732 1 469 . 1 1 38 38 ARG HD3 H 1 2.21 0.01 . 2 . . . A 429 ARG HD3 . 17732 1 470 . 1 1 38 38 ARG CA C 13 55.0 0.1 . 1 . . . A 429 ARG CA . 17732 1 471 . 1 1 38 38 ARG N N 15 124.9 0.1 . 1 . . . A 429 ARG N . 17732 1 472 . 1 1 38 38 ARG NE N 15 84.2 0.1 . 1 . . . A 429 ARG NE . 17732 1 473 . 1 1 39 39 SER H H 1 9.10 0.01 . 1 . . . A 430 SER H . 17732 1 474 . 1 1 39 39 SER HA H 1 4.96 0.01 . 1 . . . A 430 SER HA . 17732 1 475 . 1 1 39 39 SER HB2 H 1 3.53 0.01 . 1 . . . A 430 SER HB2 . 17732 1 476 . 1 1 39 39 SER HB3 H 1 3.93 0.01 . 1 . . . A 430 SER HB3 . 17732 1 477 . 1 1 39 39 SER CA C 13 59.3 0.1 . 1 . . . A 430 SER CA . 17732 1 478 . 1 1 39 39 SER N N 15 122.2 0.1 . 1 . . . A 430 SER N . 17732 1 479 . 1 1 40 40 TYR H H 1 7.59 0.01 . 1 . . . A 431 TYR H . 17732 1 480 . 1 1 40 40 TYR HA H 1 4.66 0.01 . 1 . . . A 431 TYR HA . 17732 1 481 . 1 1 40 40 TYR HB2 H 1 1.93 0.01 . 1 . . . A 431 TYR HB2 . 17732 1 482 . 1 1 40 40 TYR HB3 H 1 1.40 0.01 . 1 . . . A 431 TYR HB3 . 17732 1 483 . 1 1 40 40 TYR HD1 H 1 6.64 0.01 . 3 . . . A 431 TYR HD1 . 17732 1 484 . 1 1 40 40 TYR HD2 H 1 6.64 0.01 . 3 . . . A 431 TYR HD2 . 17732 1 485 . 1 1 40 40 TYR HE1 H 1 6.43 0.01 . 3 . . . A 431 TYR HE1 . 17732 1 486 . 1 1 40 40 TYR HE2 H 1 6.43 0.01 . 3 . . . A 431 TYR HE2 . 17732 1 487 . 1 1 40 40 TYR CA C 13 57.4 0.1 . 1 . . . A 431 TYR CA . 17732 1 488 . 1 1 40 40 TYR N N 15 122.1 0.1 . 1 . . . A 431 TYR N . 17732 1 489 . 1 1 41 41 TYR H H 1 9.37 0.01 . 1 . . . A 432 TYR H . 17732 1 490 . 1 1 41 41 TYR HA H 1 5.72 0.01 . 1 . . . A 432 TYR HA . 17732 1 491 . 1 1 41 41 TYR HB2 H 1 3.12 0.01 . 1 . . . A 432 TYR HB2 . 17732 1 492 . 1 1 41 41 TYR HB3 H 1 2.69 0.01 . 1 . . . A 432 TYR HB3 . 17732 1 493 . 1 1 41 41 TYR HD1 H 1 6.77 0.01 . 3 . . . A 432 TYR HD1 . 17732 1 494 . 1 1 41 41 TYR HD2 H 1 6.77 0.01 . 3 . . . A 432 TYR HD2 . 17732 1 495 . 1 1 41 41 TYR HE1 H 1 6.77 0.01 . 3 . . . A 432 TYR HE1 . 17732 1 496 . 1 1 41 41 TYR HE2 H 1 6.77 0.01 . 3 . . . A 432 TYR HE2 . 17732 1 497 . 1 1 41 41 TYR CA C 13 57.1 0.1 . 1 . . . A 432 TYR CA . 17732 1 498 . 1 1 41 41 TYR N N 15 120.3 0.1 . 1 . . . A 432 TYR N . 17732 1 499 . 1 1 42 42 LYS H H 1 9.96 0.01 . 1 . . . A 433 LYS H . 17732 1 500 . 1 1 42 42 LYS HA H 1 5.83 0.01 . 1 . . . A 433 LYS HA . 17732 1 501 . 1 1 42 42 LYS HB2 H 1 1.97 0.01 . 2 . . . A 433 LYS HB2 . 17732 1 502 . 1 1 42 42 LYS HB3 H 1 1.53 0.01 . 2 . . . A 433 LYS HB3 . 17732 1 503 . 1 1 42 42 LYS HG2 H 1 2.10 0.01 . 2 . . . A 433 LYS HG2 . 17732 1 504 . 1 1 42 42 LYS HG3 H 1 1.80 0.01 . 2 . . . A 433 LYS HG3 . 17732 1 505 . 1 1 42 42 LYS HD2 H 1 1.57 0.01 . 2 . . . A 433 LYS HD2 . 17732 1 506 . 1 1 42 42 LYS HD3 H 1 1.53 0.01 . 2 . . . A 433 LYS HD3 . 17732 1 507 . 1 1 42 42 LYS HE2 H 1 2.70 0.01 . 2 . . . A 433 LYS HE2 . 17732 1 508 . 1 1 42 42 LYS HE3 H 1 2.70 0.01 . 2 . . . A 433 LYS HE3 . 17732 1 509 . 1 1 42 42 LYS CA C 13 54.2 0.1 . 1 . . . A 433 LYS CA . 17732 1 510 . 1 1 42 42 LYS N N 15 121.5 0.1 . 1 . . . A 433 LYS N . 17732 1 511 . 1 1 43 43 CYS H H 1 8.44 0.01 . 1 . . . A 434 CYS H . 17732 1 512 . 1 1 43 43 CYS HA H 1 4.20 0.01 . 1 . . . A 434 CYS HA . 17732 1 513 . 1 1 43 43 CYS HB2 H 1 2.84 0.01 . 1 . . . A 434 CYS HB2 . 17732 1 514 . 1 1 43 43 CYS HB3 H 1 2.53 0.01 . 1 . . . A 434 CYS HB3 . 17732 1 515 . 1 1 43 43 CYS CA C 13 60.3 0.1 . 1 . . . A 434 CYS CA . 17732 1 516 . 1 1 43 43 CYS N N 15 128.7 0.1 . 1 . . . A 434 CYS N . 17732 1 517 . 1 1 44 44 THR H H 1 8.20 0.01 . 1 . . . A 435 THR H . 17732 1 518 . 1 1 44 44 THR HA H 1 4.27 0.01 . 1 . . . A 435 THR HA . 17732 1 519 . 1 1 44 44 THR HB H 1 4.57 0.01 . 1 . . . A 435 THR HB . 17732 1 520 . 1 1 44 44 THR HG21 H 1 1.25 0.01 . 1 . . . A 435 THR HG21 . 17732 1 521 . 1 1 44 44 THR HG22 H 1 1.25 0.01 . 1 . . . A 435 THR HG22 . 17732 1 522 . 1 1 44 44 THR HG23 H 1 1.25 0.01 . 1 . . . A 435 THR HG23 . 17732 1 523 . 1 1 44 44 THR CA C 13 62.8 0.1 . 1 . . . A 435 THR CA . 17732 1 524 . 1 1 44 44 THR N N 15 118.0 0.1 . 1 . . . A 435 THR N . 17732 1 525 . 1 1 45 45 THR H H 1 8.88 0.01 . 1 . . . A 436 THR H . 17732 1 526 . 1 1 45 45 THR HA H 1 4.23 0.01 . 1 . . . A 436 THR HA . 17732 1 527 . 1 1 45 45 THR HB H 1 3.55 0.01 . 1 . . . A 436 THR HB . 17732 1 528 . 1 1 45 45 THR HG21 H 1 0.70 0.01 . 1 . . . A 436 THR HG21 . 17732 1 529 . 1 1 45 45 THR HG22 H 1 0.70 0.01 . 1 . . . A 436 THR HG22 . 17732 1 530 . 1 1 45 45 THR HG23 H 1 0.70 0.01 . 1 . . . A 436 THR HG23 . 17732 1 531 . 1 1 45 45 THR CA C 13 63.3 0.1 . 1 . . . A 436 THR CA . 17732 1 532 . 1 1 45 45 THR N N 15 127.5 0.1 . 1 . . . A 436 THR N . 17732 1 533 . 1 1 46 46 PRO HA H 1 4.27 0.01 . 1 . . . A 437 PRO HA . 17732 1 534 . 1 1 46 46 PRO HB2 H 1 1.89 0.01 . 2 . . . A 437 PRO HB2 . 17732 1 535 . 1 1 46 46 PRO HB3 H 1 2.33 0.01 . 2 . . . A 437 PRO HB3 . 17732 1 536 . 1 1 46 46 PRO HG2 H 1 2.17 0.01 . 2 . . . A 437 PRO HG2 . 17732 1 537 . 1 1 46 46 PRO HG3 H 1 2.00 0.01 . 2 . . . A 437 PRO HG3 . 17732 1 538 . 1 1 46 46 PRO HD2 H 1 4.23 0.01 . 2 . . . A 437 PRO HD2 . 17732 1 539 . 1 1 46 46 PRO HD3 H 1 3.63 0.01 . 2 . . . A 437 PRO HD3 . 17732 1 540 . 1 1 47 47 GLY H H 1 8.87 0.01 . 1 . . . A 438 GLY H . 17732 1 541 . 1 1 47 47 GLY HA2 H 1 4.23 0.01 . 2 . . . A 438 GLY HA2 . 17732 1 542 . 1 1 47 47 GLY HA3 H 1 3.71 0.01 . 2 . . . A 438 GLY HA3 . 17732 1 543 . 1 1 47 47 GLY CA C 13 45.4 0.1 . 1 . . . A 438 GLY CA . 17732 1 544 . 1 1 47 47 GLY N N 15 112.8 0.1 . 1 . . . A 438 GLY N . 17732 1 545 . 1 1 48 48 CYS H H 1 7.87 0.01 . 1 . . . A 439 CYS H . 17732 1 546 . 1 1 48 48 CYS HA H 1 4.60 0.01 . 1 . . . A 439 CYS HA . 17732 1 547 . 1 1 48 48 CYS HB2 H 1 3.12 0.01 . 1 . . . A 439 CYS HB2 . 17732 1 548 . 1 1 48 48 CYS HB3 H 1 2.77 0.01 . 1 . . . A 439 CYS HB3 . 17732 1 549 . 1 1 48 48 CYS CA C 13 60.7 0.1 . 1 . . . A 439 CYS CA . 17732 1 550 . 1 1 48 48 CYS N N 15 123.9 0.1 . 1 . . . A 439 CYS N . 17732 1 551 . 1 1 49 49 GLY H H 1 9.07 0.01 . 1 . . . A 440 GLY H . 17732 1 552 . 1 1 49 49 GLY HA2 H 1 4.23 0.01 . 2 . . . A 440 GLY HA2 . 17732 1 553 . 1 1 49 49 GLY HA3 H 1 3.90 0.01 . 2 . . . A 440 GLY HA3 . 17732 1 554 . 1 1 49 49 GLY CA C 13 45.4 0.1 . 1 . . . A 440 GLY CA . 17732 1 555 . 1 1 49 49 GLY N N 15 113.3 0.1 . 1 . . . A 440 GLY N . 17732 1 556 . 1 1 50 50 VAL H H 1 8.23 0.01 . 1 . . . A 441 VAL H . 17732 1 557 . 1 1 50 50 VAL HA H 1 4.11 0.01 . 1 . . . A 441 VAL HA . 17732 1 558 . 1 1 50 50 VAL HB H 1 1.43 0.01 . 1 . . . A 441 VAL HB . 17732 1 559 . 1 1 50 50 VAL HG11 H 1 0.82 0.01 . 1 . . . A 441 VAL HG11 . 17732 1 560 . 1 1 50 50 VAL HG12 H 1 0.82 0.01 . 1 . . . A 441 VAL HG12 . 17732 1 561 . 1 1 50 50 VAL HG13 H 1 0.82 0.01 . 1 . . . A 441 VAL HG13 . 17732 1 562 . 1 1 50 50 VAL HG21 H 1 0.09 0.01 . 1 . . . A 441 VAL HG21 . 17732 1 563 . 1 1 50 50 VAL HG22 H 1 0.09 0.01 . 1 . . . A 441 VAL HG22 . 17732 1 564 . 1 1 50 50 VAL HG23 H 1 0.09 0.01 . 1 . . . A 441 VAL HG23 . 17732 1 565 . 1 1 50 50 VAL CA C 13 65.5 0.1 . 1 . . . A 441 VAL CA . 17732 1 566 . 1 1 50 50 VAL N N 15 123.4 0.1 . 1 . . . A 441 VAL N . 17732 1 567 . 1 1 51 51 ARG H H 1 8.34 0.01 . 1 . . . A 442 ARG H . 17732 1 568 . 1 1 51 51 ARG HA H 1 5.65 0.01 . 1 . . . A 442 ARG HA . 17732 1 569 . 1 1 51 51 ARG HB2 H 1 2.50 0.01 . 1 . . . A 442 ARG HB2 . 17732 1 570 . 1 1 51 51 ARG HB3 H 1 1.85 0.01 . 1 . . . A 442 ARG HB3 . 17732 1 571 . 1 1 51 51 ARG HG2 H 1 2.03 0.01 . 2 . . . A 442 ARG HG2 . 17732 1 572 . 1 1 51 51 ARG HG3 H 1 1.91 0.01 . 2 . . . A 442 ARG HG3 . 17732 1 573 . 1 1 51 51 ARG HD2 H 1 3.49 0.01 . 2 . . . A 442 ARG HD2 . 17732 1 574 . 1 1 51 51 ARG HD3 H 1 3.42 0.01 . 2 . . . A 442 ARG HD3 . 17732 1 575 . 1 1 51 51 ARG HE H 1 7.12 0.01 . 1 . . . A 442 ARG HE . 17732 1 576 . 1 1 51 51 ARG CA C 13 54.3 0.1 . 1 . . . A 442 ARG CA . 17732 1 577 . 1 1 51 51 ARG N N 15 126.1 0.1 . 1 . . . A 442 ARG N . 17732 1 578 . 1 1 51 51 ARG NE N 15 86.4 0.1 . 1 . . . A 442 ARG NE . 17732 1 579 . 1 1 52 52 LYS H H 1 9.34 0.01 . 1 . . . A 443 LYS H . 17732 1 580 . 1 1 52 52 LYS HA H 1 5.11 0.01 . 1 . . . A 443 LYS HA . 17732 1 581 . 1 1 52 52 LYS HB2 H 1 0.92 0.01 . 2 . . . A 443 LYS HB2 . 17732 1 582 . 1 1 52 52 LYS HB3 H 1 0.72 0.01 . 2 . . . A 443 LYS HB3 . 17732 1 583 . 1 1 52 52 LYS HG2 H 1 0.27 0.01 . 2 . . . A 443 LYS HG2 . 17732 1 584 . 1 1 52 52 LYS HG3 H 1 0.20 0.01 . 2 . . . A 443 LYS HG3 . 17732 1 585 . 1 1 52 52 LYS HD2 H 1 -0.07 0.01 . 2 . . . A 443 LYS HD2 . 17732 1 586 . 1 1 52 52 LYS HD3 H 1 -0.18 0.01 . 2 . . . A 443 LYS HD3 . 17732 1 587 . 1 1 52 52 LYS HE2 H 1 1.51 0.01 . 2 . . . A 443 LYS HE2 . 17732 1 588 . 1 1 52 52 LYS HE3 H 1 0.57 0.01 . 2 . . . A 443 LYS HE3 . 17732 1 589 . 1 1 52 52 LYS CA C 13 54.0 0.1 . 1 . . . A 443 LYS CA . 17732 1 590 . 1 1 52 52 LYS N N 15 120.7 0.1 . 1 . . . A 443 LYS N . 17732 1 591 . 1 1 53 53 HIS H H 1 8.86 0.01 . 1 . . . A 444 HIS H . 17732 1 592 . 1 1 53 53 HIS HA H 1 5.70 0.01 . 1 . . . A 444 HIS HA . 17732 1 593 . 1 1 53 53 HIS HB2 H 1 2.61 0.01 . 2 . . . A 444 HIS HB2 . 17732 1 594 . 1 1 53 53 HIS HB3 H 1 2.61 0.01 . 2 . . . A 444 HIS HB3 . 17732 1 595 . 1 1 53 53 HIS HD2 H 1 6.70 0.01 . 1 . . . A 444 HIS HD2 . 17732 1 596 . 1 1 53 53 HIS CA C 13 51.0 0.1 . 1 . . . A 444 HIS CA . 17732 1 597 . 1 1 53 53 HIS N N 15 122.0 0.1 . 1 . . . A 444 HIS N . 17732 1 598 . 1 1 54 54 VAL H H 1 8.56 0.01 . 1 . . . A 445 VAL H . 17732 1 599 . 1 1 54 54 VAL HA H 1 4.81 0.01 . 1 . . . A 445 VAL HA . 17732 1 600 . 1 1 54 54 VAL HB H 1 1.84 0.01 . 1 . . . A 445 VAL HB . 17732 1 601 . 1 1 54 54 VAL HG11 H 1 0.79 0.01 . 1 . . . A 445 VAL HG11 . 17732 1 602 . 1 1 54 54 VAL HG12 H 1 0.79 0.01 . 1 . . . A 445 VAL HG12 . 17732 1 603 . 1 1 54 54 VAL HG13 H 1 0.79 0.01 . 1 . . . A 445 VAL HG13 . 17732 1 604 . 1 1 54 54 VAL HG21 H 1 0.66 0.01 . 1 . . . A 445 VAL HG21 . 17732 1 605 . 1 1 54 54 VAL HG22 H 1 0.66 0.01 . 1 . . . A 445 VAL HG22 . 17732 1 606 . 1 1 54 54 VAL HG23 H 1 0.66 0.01 . 1 . . . A 445 VAL HG23 . 17732 1 607 . 1 1 54 54 VAL CA C 13 61.6 0.1 . 1 . . . A 445 VAL CA . 17732 1 608 . 1 1 54 54 VAL N N 15 121.2 0.1 . 1 . . . A 445 VAL N . 17732 1 609 . 1 1 55 55 GLU H H 1 8.68 0.01 . 1 . . . A 446 GLU H . 17732 1 610 . 1 1 55 55 GLU HA H 1 4.91 0.01 . 1 . . . A 446 GLU HA . 17732 1 611 . 1 1 55 55 GLU HB2 H 1 2.06 0.01 . 2 . . . A 446 GLU HB2 . 17732 1 612 . 1 1 55 55 GLU HB3 H 1 1.98 0.01 . 2 . . . A 446 GLU HB3 . 17732 1 613 . 1 1 55 55 GLU HG2 H 1 2.13 0.01 . 2 . . . A 446 GLU HG2 . 17732 1 614 . 1 1 55 55 GLU HG3 H 1 2.13 0.01 . 2 . . . A 446 GLU HG3 . 17732 1 615 . 1 1 55 55 GLU CA C 13 54.4 0.1 . 1 . . . A 446 GLU CA . 17732 1 616 . 1 1 55 55 GLU N N 15 125.1 0.1 . 1 . . . A 446 GLU N . 17732 1 617 . 1 1 56 56 ARG H H 1 8.66 0.01 . 1 . . . A 447 ARG H . 17732 1 618 . 1 1 56 56 ARG HA H 1 4.69 0.01 . 1 . . . A 447 ARG HA . 17732 1 619 . 1 1 56 56 ARG HB2 H 1 1.46 0.01 . 2 . . . A 447 ARG HB2 . 17732 1 620 . 1 1 56 56 ARG HB3 H 1 1.39 0.01 . 2 . . . A 447 ARG HB3 . 17732 1 621 . 1 1 56 56 ARG HG2 H 1 1.53 0.01 . 2 . . . A 447 ARG HG2 . 17732 1 622 . 1 1 56 56 ARG HG3 H 1 1.41 0.01 . 2 . . . A 447 ARG HG3 . 17732 1 623 . 1 1 56 56 ARG HD2 H 1 2.83 0.01 . 2 . . . A 447 ARG HD2 . 17732 1 624 . 1 1 56 56 ARG HD3 H 1 2.64 0.01 . 2 . . . A 447 ARG HD3 . 17732 1 625 . 1 1 56 56 ARG HE H 1 7.01 0.01 . 1 . . . A 447 ARG HE . 17732 1 626 . 1 1 56 56 ARG CA C 13 55.4 0.1 . 1 . . . A 447 ARG CA . 17732 1 627 . 1 1 56 56 ARG N N 15 122.4 0.1 . 1 . . . A 447 ARG N . 17732 1 628 . 1 1 56 56 ARG NE N 15 85.0 0.1 . 1 . . . A 447 ARG NE . 17732 1 629 . 1 1 57 57 ALA H H 1 8.10 0.01 . 1 . . . A 448 ALA H . 17732 1 630 . 1 1 57 57 ALA HA H 1 4.22 0.01 . 1 . . . A 448 ALA HA . 17732 1 631 . 1 1 57 57 ALA HB1 H 1 1.46 0.01 . 1 . . . A 448 ALA HB1 . 17732 1 632 . 1 1 57 57 ALA HB2 H 1 1.46 0.01 . 1 . . . A 448 ALA HB2 . 17732 1 633 . 1 1 57 57 ALA HB3 H 1 1.46 0.01 . 1 . . . A 448 ALA HB3 . 17732 1 634 . 1 1 57 57 ALA CA C 13 52.3 0.1 . 1 . . . A 448 ALA CA . 17732 1 635 . 1 1 57 57 ALA N N 15 125.0 0.1 . 1 . . . A 448 ALA N . 17732 1 636 . 1 1 58 58 ALA H H 1 8.55 0.01 . 1 . . . A 449 ALA H . 17732 1 637 . 1 1 58 58 ALA HA H 1 4.22 0.01 . 1 . . . A 449 ALA HA . 17732 1 638 . 1 1 58 58 ALA HB1 H 1 1.56 0.01 . 1 . . . A 449 ALA HB1 . 17732 1 639 . 1 1 58 58 ALA HB2 H 1 1.56 0.01 . 1 . . . A 449 ALA HB2 . 17732 1 640 . 1 1 58 58 ALA HB3 H 1 1.56 0.01 . 1 . . . A 449 ALA HB3 . 17732 1 641 . 1 1 58 58 ALA CA C 13 55.2 0.1 . 1 . . . A 449 ALA CA . 17732 1 642 . 1 1 58 58 ALA N N 15 123.7 0.1 . 1 . . . A 449 ALA N . 17732 1 643 . 1 1 59 59 THR H H 1 7.60 0.01 . 1 . . . A 450 THR H . 17732 1 644 . 1 1 59 59 THR HA H 1 4.34 0.01 . 1 . . . A 450 THR HA . 17732 1 645 . 1 1 59 59 THR HB H 1 4.49 0.01 . 1 . . . A 450 THR HB . 17732 1 646 . 1 1 59 59 THR HG21 H 1 1.23 0.01 . 1 . . . A 450 THR HG21 . 17732 1 647 . 1 1 59 59 THR HG22 H 1 1.23 0.01 . 1 . . . A 450 THR HG22 . 17732 1 648 . 1 1 59 59 THR HG23 H 1 1.23 0.01 . 1 . . . A 450 THR HG23 . 17732 1 649 . 1 1 59 59 THR CA C 13 61.3 0.1 . 1 . . . A 450 THR CA . 17732 1 650 . 1 1 59 59 THR N N 15 102.5 0.1 . 1 . . . A 450 THR N . 17732 1 651 . 1 1 60 60 ASP H H 1 7.06 0.01 . 1 . . . A 451 ASP H . 17732 1 652 . 1 1 60 60 ASP HA H 1 4.91 0.01 . 1 . . . A 451 ASP HA . 17732 1 653 . 1 1 60 60 ASP HB2 H 1 2.71 0.01 . 2 . . . A 451 ASP HB2 . 17732 1 654 . 1 1 60 60 ASP HB3 H 1 2.65 0.01 . 2 . . . A 451 ASP HB3 . 17732 1 655 . 1 1 60 60 ASP CA C 13 52.0 0.1 . 1 . . . A 451 ASP CA . 17732 1 656 . 1 1 60 60 ASP N N 15 118.2 0.1 . 1 . . . A 451 ASP N . 17732 1 657 . 1 1 61 61 PRO HA H 1 4.30 0.01 . 1 . . . A 452 PRO HA . 17732 1 658 . 1 1 61 61 PRO HB2 H 1 1.81 0.01 . 2 . . . A 452 PRO HB2 . 17732 1 659 . 1 1 61 61 PRO HB3 H 1 1.81 0.01 . 2 . . . A 452 PRO HB3 . 17732 1 660 . 1 1 61 61 PRO HG2 H 1 2.04 0.01 . 2 . . . A 452 PRO HG2 . 17732 1 661 . 1 1 61 61 PRO HG3 H 1 1.93 0.01 . 2 . . . A 452 PRO HG3 . 17732 1 662 . 1 1 61 61 PRO HD2 H 1 3.92 0.01 . 2 . . . A 452 PRO HD2 . 17732 1 663 . 1 1 61 61 PRO HD3 H 1 3.66 0.01 . 2 . . . A 452 PRO HD3 . 17732 1 664 . 1 1 61 61 PRO CA C 13 64.0 0.1 . 1 . . . A 452 PRO CA . 17732 1 665 . 1 1 62 62 LYS H H 1 7.88 0.01 . 1 . . . A 453 LYS H . 17732 1 666 . 1 1 62 62 LYS HA H 1 4.16 0.01 . 1 . . . A 453 LYS HA . 17732 1 667 . 1 1 62 62 LYS HB2 H 1 1.86 0.01 . 2 . . . A 453 LYS HB2 . 17732 1 668 . 1 1 62 62 LYS HB3 H 1 1.40 0.01 . 2 . . . A 453 LYS HB3 . 17732 1 669 . 1 1 62 62 LYS HG2 H 1 1.38 0.01 . 2 . . . A 453 LYS HG2 . 17732 1 670 . 1 1 62 62 LYS HG3 H 1 1.38 0.01 . 2 . . . A 453 LYS HG3 . 17732 1 671 . 1 1 62 62 LYS HD2 H 1 1.68 0.01 . 2 . . . A 453 LYS HD2 . 17732 1 672 . 1 1 62 62 LYS HD3 H 1 1.68 0.01 . 2 . . . A 453 LYS HD3 . 17732 1 673 . 1 1 62 62 LYS HE2 H 1 2.99 0.01 . 2 . . . A 453 LYS HE2 . 17732 1 674 . 1 1 62 62 LYS HE3 H 1 2.99 0.01 . 2 . . . A 453 LYS HE3 . 17732 1 675 . 1 1 62 62 LYS CA C 13 56.7 0.1 . 1 . . . A 453 LYS CA . 17732 1 676 . 1 1 62 62 LYS N N 15 117.0 0.1 . 1 . . . A 453 LYS N . 17732 1 677 . 1 1 63 63 ALA H H 1 8.06 0.01 . 1 . . . A 454 ALA H . 17732 1 678 . 1 1 63 63 ALA HA H 1 4.57 0.01 . 1 . . . A 454 ALA HA . 17732 1 679 . 1 1 63 63 ALA HB1 H 1 1.34 0.01 . 1 . . . A 454 ALA HB1 . 17732 1 680 . 1 1 63 63 ALA HB2 H 1 1.34 0.01 . 1 . . . A 454 ALA HB2 . 17732 1 681 . 1 1 63 63 ALA HB3 H 1 1.34 0.01 . 1 . . . A 454 ALA HB3 . 17732 1 682 . 1 1 63 63 ALA CA C 13 51.2 0.1 . 1 . . . A 454 ALA CA . 17732 1 683 . 1 1 63 63 ALA N N 15 124.7 0.1 . 1 . . . A 454 ALA N . 17732 1 684 . 1 1 64 64 VAL H H 1 8.19 0.01 . 1 . . . A 455 VAL H . 17732 1 685 . 1 1 64 64 VAL HA H 1 4.37 0.01 . 1 . . . A 455 VAL HA . 17732 1 686 . 1 1 64 64 VAL HB H 1 1.81 0.01 . 1 . . . A 455 VAL HB . 17732 1 687 . 1 1 64 64 VAL HG11 H 1 0.71 0.01 . 1 . . . A 455 VAL HG11 . 17732 1 688 . 1 1 64 64 VAL HG12 H 1 0.71 0.01 . 1 . . . A 455 VAL HG12 . 17732 1 689 . 1 1 64 64 VAL HG13 H 1 0.71 0.01 . 1 . . . A 455 VAL HG13 . 17732 1 690 . 1 1 64 64 VAL HG21 H 1 0.75 0.01 . 1 . . . A 455 VAL HG21 . 17732 1 691 . 1 1 64 64 VAL HG22 H 1 0.75 0.01 . 1 . . . A 455 VAL HG22 . 17732 1 692 . 1 1 64 64 VAL HG23 H 1 0.75 0.01 . 1 . . . A 455 VAL HG23 . 17732 1 693 . 1 1 64 64 VAL CA C 13 61.4 0.1 . 1 . . . A 455 VAL CA . 17732 1 694 . 1 1 64 64 VAL N N 15 119.7 0.1 . 1 . . . A 455 VAL N . 17732 1 695 . 1 1 65 65 VAL H H 1 9.22 0.01 . 1 . . . A 456 VAL H . 17732 1 696 . 1 1 65 65 VAL HA H 1 4.31 0.01 . 1 . . . A 456 VAL HA . 17732 1 697 . 1 1 65 65 VAL HB H 1 1.96 0.01 . 1 . . . A 456 VAL HB . 17732 1 698 . 1 1 65 65 VAL HG11 H 1 0.88 0.01 . 1 . . . A 456 VAL HG11 . 17732 1 699 . 1 1 65 65 VAL HG12 H 1 0.88 0.01 . 1 . . . A 456 VAL HG12 . 17732 1 700 . 1 1 65 65 VAL HG13 H 1 0.88 0.01 . 1 . . . A 456 VAL HG13 . 17732 1 701 . 1 1 65 65 VAL HG21 H 1 0.85 0.01 . 1 . . . A 456 VAL HG21 . 17732 1 702 . 1 1 65 65 VAL HG22 H 1 0.85 0.01 . 1 . . . A 456 VAL HG22 . 17732 1 703 . 1 1 65 65 VAL HG23 H 1 0.85 0.01 . 1 . . . A 456 VAL HG23 . 17732 1 704 . 1 1 65 65 VAL CA C 13 61.9 0.1 . 1 . . . A 456 VAL CA . 17732 1 705 . 1 1 65 65 VAL N N 15 129.4 0.1 . 1 . . . A 456 VAL N . 17732 1 706 . 1 1 66 66 THR H H 1 8.56 0.01 . 1 . . . A 457 THR H . 17732 1 707 . 1 1 66 66 THR HA H 1 5.16 0.01 . 1 . . . A 457 THR HA . 17732 1 708 . 1 1 66 66 THR HB H 1 3.74 0.01 . 1 . . . A 457 THR HB . 17732 1 709 . 1 1 66 66 THR HG21 H 1 0.57 0.01 . 1 . . . A 457 THR HG21 . 17732 1 710 . 1 1 66 66 THR HG22 H 1 0.57 0.01 . 1 . . . A 457 THR HG22 . 17732 1 711 . 1 1 66 66 THR HG23 H 1 0.57 0.01 . 1 . . . A 457 THR HG23 . 17732 1 712 . 1 1 66 66 THR CA C 13 61.1 0.1 . 1 . . . A 457 THR CA . 17732 1 713 . 1 1 66 66 THR N N 15 125.0 0.1 . 1 . . . A 457 THR N . 17732 1 714 . 1 1 67 67 THR H H 1 8.56 0.01 . 1 . . . A 458 THR H . 17732 1 715 . 1 1 67 67 THR HA H 1 4.55 0.01 . 1 . . . A 458 THR HA . 17732 1 716 . 1 1 67 67 THR HB H 1 3.67 0.01 . 1 . . . A 458 THR HB . 17732 1 717 . 1 1 67 67 THR HG21 H 1 1.07 0.01 . 1 . . . A 458 THR HG21 . 17732 1 718 . 1 1 67 67 THR HG22 H 1 1.07 0.01 . 1 . . . A 458 THR HG22 . 17732 1 719 . 1 1 67 67 THR HG23 H 1 1.07 0.01 . 1 . . . A 458 THR HG23 . 17732 1 720 . 1 1 67 67 THR CA C 13 60.6 0.1 . 1 . . . A 458 THR CA . 17732 1 721 . 1 1 67 67 THR N N 15 120.6 0.1 . 1 . . . A 458 THR N . 17732 1 722 . 1 1 68 68 TYR H H 1 8.87 0.01 . 1 . . . A 459 TYR H . 17732 1 723 . 1 1 68 68 TYR HA H 1 4.94 0.01 . 1 . . . A 459 TYR HA . 17732 1 724 . 1 1 68 68 TYR HB2 H 1 2.84 0.01 . 1 . . . A 459 TYR HB2 . 17732 1 725 . 1 1 68 68 TYR HB3 H 1 2.81 0.01 . 1 . . . A 459 TYR HB3 . 17732 1 726 . 1 1 68 68 TYR HD1 H 1 6.97 0.01 . 3 . . . A 459 TYR HD1 . 17732 1 727 . 1 1 68 68 TYR HD2 H 1 6.97 0.01 . 3 . . . A 459 TYR HD2 . 17732 1 728 . 1 1 68 68 TYR HE1 H 1 6.77 0.01 . 3 . . . A 459 TYR HE1 . 17732 1 729 . 1 1 68 68 TYR HE2 H 1 6.77 0.01 . 3 . . . A 459 TYR HE2 . 17732 1 730 . 1 1 68 68 TYR CA C 13 57.8 0.1 . 1 . . . A 459 TYR CA . 17732 1 731 . 1 1 68 68 TYR N N 15 122.5 0.1 . 1 . . . A 459 TYR N . 17732 1 732 . 1 1 69 69 GLU H H 1 9.15 0.01 . 1 . . . A 460 GLU H . 17732 1 733 . 1 1 69 69 GLU HA H 1 4.63 0.01 . 1 . . . A 460 GLU HA . 17732 1 734 . 1 1 69 69 GLU HB2 H 1 2.01 0.01 . 1 . . . A 460 GLU HB2 . 17732 1 735 . 1 1 69 69 GLU HB3 H 1 1.86 0.01 . 1 . . . A 460 GLU HB3 . 17732 1 736 . 1 1 69 69 GLU HG2 H 1 2.11 0.01 . 2 . . . A 460 GLU HG2 . 17732 1 737 . 1 1 69 69 GLU HG3 H 1 2.11 0.01 . 2 . . . A 460 GLU HG3 . 17732 1 738 . 1 1 69 69 GLU CA C 13 55.6 0.1 . 1 . . . A 460 GLU CA . 17732 1 739 . 1 1 69 69 GLU N N 15 123.2 0.1 . 1 . . . A 460 GLU N . 17732 1 740 . 1 1 70 70 GLY H H 1 8.33 0.01 . 1 . . . A 461 GLY H . 17732 1 741 . 1 1 70 70 GLY HA2 H 1 4.39 0.01 . 1 . . . A 461 GLY HA2 . 17732 1 742 . 1 1 70 70 GLY HA3 H 1 3.73 0.01 . 1 . . . A 461 GLY HA3 . 17732 1 743 . 1 1 70 70 GLY CA C 13 43.9 0.1 . 1 . . . A 461 GLY CA . 17732 1 744 . 1 1 70 70 GLY N N 15 112.7 0.1 . 1 . . . A 461 GLY N . 17732 1 745 . 1 1 71 71 LYS H H 1 8.05 0.01 . 1 . . . A 462 LYS H . 17732 1 746 . 1 1 71 71 LYS HA H 1 4.49 0.01 . 1 . . . A 462 LYS HA . 17732 1 747 . 1 1 71 71 LYS HB2 H 1 1.70 0.01 . 1 . . . A 462 LYS HB2 . 17732 1 748 . 1 1 71 71 LYS HB3 H 1 1.59 0.01 . 1 . . . A 462 LYS HB3 . 17732 1 749 . 1 1 71 71 LYS HG2 H 1 1.42 0.01 . 2 . . . A 462 LYS HG2 . 17732 1 750 . 1 1 71 71 LYS HG3 H 1 1.34 0.01 . 2 . . . A 462 LYS HG3 . 17732 1 751 . 1 1 71 71 LYS HD2 H 1 1.67 0.01 . 2 . . . A 462 LYS HD2 . 17732 1 752 . 1 1 71 71 LYS HD3 H 1 1.67 0.01 . 2 . . . A 462 LYS HD3 . 17732 1 753 . 1 1 71 71 LYS HE2 H 1 3.00 0.01 . 2 . . . A 462 LYS HE2 . 17732 1 754 . 1 1 71 71 LYS HE3 H 1 3.00 0.01 . 2 . . . A 462 LYS HE3 . 17732 1 755 . 1 1 71 71 LYS CA C 13 54.0 0.1 . 1 . . . A 462 LYS CA . 17732 1 756 . 1 1 71 71 LYS N N 15 118.3 0.1 . 1 . . . A 462 LYS N . 17732 1 757 . 1 1 72 72 HIS H H 1 8.47 0.01 . 1 . . . A 463 HIS H . 17732 1 758 . 1 1 72 72 HIS HA H 1 4.60 0.01 . 1 . . . A 463 HIS HA . 17732 1 759 . 1 1 72 72 HIS HB2 H 1 2.04 0.01 . 1 . . . A 463 HIS HB2 . 17732 1 760 . 1 1 72 72 HIS HB3 H 1 2.76 0.01 . 1 . . . A 463 HIS HB3 . 17732 1 761 . 1 1 72 72 HIS HD2 H 1 6.89 0.01 . 1 . . . A 463 HIS HD2 . 17732 1 762 . 1 1 72 72 HIS HE1 H 1 6.85 0.01 . 1 . . . A 463 HIS HE1 . 17732 1 763 . 1 1 72 72 HIS CA C 13 57.2 0.1 . 1 . . . A 463 HIS CA . 17732 1 764 . 1 1 72 72 HIS N N 15 123.9 0.1 . 1 . . . A 463 HIS N . 17732 1 765 . 1 1 73 73 ASN H H 1 8.36 0.01 . 1 . . . A 464 ASN H . 17732 1 766 . 1 1 73 73 ASN HA H 1 4.95 0.01 . 1 . . . A 464 ASN HA . 17732 1 767 . 1 1 73 73 ASN HB2 H 1 3.31 0.01 . 2 . . . A 464 ASN HB2 . 17732 1 768 . 1 1 73 73 ASN HB3 H 1 2.92 0.01 . 2 . . . A 464 ASN HB3 . 17732 1 769 . 1 1 73 73 ASN HD21 H 1 7.51 0.01 . 2 . . . A 464 ASN HD21 . 17732 1 770 . 1 1 73 73 ASN HD22 H 1 6.62 0.01 . 2 . . . A 464 ASN HD22 . 17732 1 771 . 1 1 73 73 ASN CA C 13 51.5 0.1 . 1 . . . A 464 ASN CA . 17732 1 772 . 1 1 73 73 ASN N N 15 124.4 0.1 . 1 . . . A 464 ASN N . 17732 1 773 . 1 1 73 73 ASN ND2 N 15 108.9 0.1 . 1 . . . A 464 ASN ND2 . 17732 1 774 . 1 1 74 74 HIS H H 1 6.83 0.01 . 1 . . . A 465 HIS H . 17732 1 775 . 1 1 74 74 HIS HA H 1 4.87 0.01 . 1 . . . A 465 HIS HA . 17732 1 776 . 1 1 74 74 HIS HB2 H 1 3.32 0.01 . 1 . . . A 465 HIS HB2 . 17732 1 777 . 1 1 74 74 HIS HB3 H 1 3.27 0.01 . 1 . . . A 465 HIS HB3 . 17732 1 778 . 1 1 74 74 HIS HD2 H 1 7.65 0.01 . 1 . . . A 465 HIS HD2 . 17732 1 779 . 1 1 74 74 HIS HE1 H 1 7.65 0.01 . 1 . . . A 465 HIS HE1 . 17732 1 780 . 1 1 74 74 HIS CA C 13 52.9 0.1 . 1 . . . A 465 HIS CA . 17732 1 781 . 1 1 74 74 HIS N N 15 112.1 0.1 . 1 . . . A 465 HIS N . 17732 1 782 . 1 1 75 75 ASP H H 1 8.78 0.01 . 1 . . . A 466 ASP H . 17732 1 783 . 1 1 75 75 ASP HA H 1 4.62 0.01 . 1 . . . A 466 ASP HA . 17732 1 784 . 1 1 75 75 ASP HB2 H 1 2.82 0.01 . 1 . . . A 466 ASP HB2 . 17732 1 785 . 1 1 75 75 ASP HB3 H 1 2.59 0.01 . 1 . . . A 466 ASP HB3 . 17732 1 786 . 1 1 75 75 ASP CA C 13 54.0 0.1 . 1 . . . A 466 ASP CA . 17732 1 787 . 1 1 75 75 ASP N N 15 120.3 0.1 . 1 . . . A 466 ASP N . 17732 1 788 . 1 1 76 76 LEU H H 1 8.53 0.01 . 1 . . . A 467 LEU H . 17732 1 789 . 1 1 76 76 LEU HA H 1 4.04 0.01 . 1 . . . A 467 LEU HA . 17732 1 790 . 1 1 76 76 LEU HB2 H 1 1.38 0.01 . 1 . . . A 467 LEU HB2 . 17732 1 791 . 1 1 76 76 LEU HB3 H 1 1.44 0.01 . 1 . . . A 467 LEU HB3 . 17732 1 792 . 1 1 76 76 LEU HG H 1 1.36 0.01 . 1 . . . A 467 LEU HG . 17732 1 793 . 1 1 76 76 LEU HD11 H 1 0.47 0.01 . 2 . . . A 467 LEU HD11 . 17732 1 794 . 1 1 76 76 LEU HD12 H 1 0.47 0.01 . 2 . . . A 467 LEU HD12 . 17732 1 795 . 1 1 76 76 LEU HD13 H 1 0.47 0.01 . 2 . . . A 467 LEU HD13 . 17732 1 796 . 1 1 76 76 LEU HD21 H 1 0.64 0.01 . 2 . . . A 467 LEU HD21 . 17732 1 797 . 1 1 76 76 LEU HD22 H 1 0.64 0.01 . 2 . . . A 467 LEU HD22 . 17732 1 798 . 1 1 76 76 LEU HD23 H 1 0.64 0.01 . 2 . . . A 467 LEU HD23 . 17732 1 799 . 1 1 76 76 LEU CA C 13 54.1 0.1 . 1 . . . A 467 LEU CA . 17732 1 800 . 1 1 76 76 LEU N N 15 124.2 0.1 . 1 . . . A 467 LEU N . 17732 1 801 . 1 1 77 77 PRO HA H 1 4.35 0.01 . 1 . . . A 468 PRO HA . 17732 1 802 . 1 1 77 77 PRO HB2 H 1 1.88 0.01 . 2 . . . A 468 PRO HB2 . 17732 1 803 . 1 1 77 77 PRO HB3 H 1 2.18 0.01 . 2 . . . A 468 PRO HB3 . 17732 1 804 . 1 1 77 77 PRO HG2 H 1 1.97 0.01 . 2 . . . A 468 PRO HG2 . 17732 1 805 . 1 1 77 77 PRO HG3 H 1 1.97 0.01 . 2 . . . A 468 PRO HG3 . 17732 1 806 . 1 1 77 77 PRO HD2 H 1 3.63 0.01 . 2 . . . A 468 PRO HD2 . 17732 1 807 . 1 1 77 77 PRO HD3 H 1 3.54 0.01 . 2 . . . A 468 PRO HD3 . 17732 1 808 . 1 1 77 77 PRO CA C 13 63.3 0.1 . 1 . . . A 468 PRO CA . 17732 1 809 . 1 1 78 78 ALA H H 1 7.84 0.01 . 1 . . . A 469 ALA H . 17732 1 810 . 1 1 78 78 ALA HA H 1 4.09 0.01 . 1 . . . A 469 ALA HA . 17732 1 811 . 1 1 78 78 ALA HB1 H 1 1.30 0.01 . 1 . . . A 469 ALA HB1 . 17732 1 812 . 1 1 78 78 ALA HB2 H 1 1.30 0.01 . 1 . . . A 469 ALA HB2 . 17732 1 813 . 1 1 78 78 ALA HB3 H 1 1.30 0.01 . 1 . . . A 469 ALA HB3 . 17732 1 814 . 1 1 78 78 ALA CA C 13 53.7 0.1 . 1 . . . A 469 ALA CA . 17732 1 815 . 1 1 78 78 ALA N N 15 130.3 0.1 . 1 . . . A 469 ALA N . 17732 1 stop_ save_