data_11529 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11529 _Entry.Title ; Solution structure of a regulatory domain of meiosis inhibitor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-04 _Entry.Accession_date 2013-07-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.44 _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 S Shoji . . . 11529 2 Y Muto . . . 11529 3 M Ikeda . . . 11529 4 F He . . . 11529 5 K Tsuda . . . 11529 6 N Ohsawa . . . 11529 7 R Akasaka . . . 11529 8 T Terada . . . 11529 9 M Wakiyama . . . 11529 10 M Shirouzu . . . 11529 11 S Yokoyama . . . 11529 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11529 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'solution structure' . 11529 'zinc-finger domain' . 11529 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11529 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 225 11529 '15N chemical shifts' 50 11529 '1H chemical shifts' 341 11529 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 . . 2015-01-08 2013-07-04 update BMRB 'update entry citation' 11529 1 . . 2014-07-14 2013-07-04 original author 'original release' 11529 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2rt9 'BMRB Entry Tracking System' 11529 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11529 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.fob.2014.06.010 _Citation.PubMed_ID 25161877 _Citation.Full_citation . _Citation.Title 'The zinc-binding region (ZBR) fragment of Emi2 can inhibit APC/C by targeting its association with the coactivator Cdc20 and UBE2C-mediated ubiquitylation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS OPEN BIO.' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 689 _Citation.Page_last 703 _Citation.Year 2014 _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 S. Shoji . . . 11529 1 2 Y. Muto . . . 11529 1 3 M. Ikeda . . . 11529 1 4 F. He . . . 11529 1 5 K. Tsuda . . . 11529 1 6 N. Ohsawa . . . 11529 1 7 R. Akasaka . . . 11529 1 8 T. Terada . . . 11529 1 9 M. Wakiyama . . . 11529 1 10 M. Shirouzu . . . 11529 1 11 S. Yokoyama . . . 11529 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11529 _Assembly.ID 1 _Assembly.Name 'a regulatory domain of meiosis inhibitor' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 entity_1 1 $entity_1 A . yes native no no . . . 11529 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 11529 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 11529 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11529 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGTDEALKPCPRCQS PAKYQPHKKRGLCSRLACGF DFCVLCLCAYHGSEDCRRG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first 7 residues (GSSGSSG) are cloning artifacts.' _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 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5830.834 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RT9 . "Solution Structure Of A Regulatory Domain Of Meiosis Inhibitor" . . . . . 100.00 59 100.00 100.00 4.58e-33 . . . . 11529 1 2 no DBJ BAC26733 . "unnamed protein product [Mus musculus]" . . . . . 88.14 640 100.00 100.00 1.30e-28 . . . . 11529 1 3 no GB AAH26503 . "Fbxo43 protein, partial [Mus musculus]" . . . . . 88.14 247 100.00 100.00 6.44e-30 . . . . 11529 1 4 no GB AAH82107 . "Fbxo43 protein [Rattus norvegicus]" . . . . . 88.14 664 100.00 100.00 2.11e-28 . . . . 11529 1 5 no GB AAH98484 . "F-box protein 43 [Mus musculus]" . . . . . 88.14 641 100.00 100.00 1.24e-28 . . . . 11529 1 6 no GB EDL08829 . "mCG6563 [Mus musculus]" . . . . . 88.14 641 100.00 100.00 1.20e-28 . . . . 11529 1 7 no GB EDM16401 . "F-box protein 43 [Rattus norvegicus]" . . . . . 88.14 664 100.00 100.00 2.11e-28 . . . . 11529 1 8 no REF NP_001012117 . "F-box only protein 43 [Rattus norvegicus]" . . . . . 88.14 664 100.00 100.00 2.11e-28 . . . . 11529 1 9 no REF NP_001074722 . "F-box only protein 43 [Mus musculus]" . . . . . 88.14 641 100.00 100.00 1.20e-28 . . . . 11529 1 10 no REF XP_006241597 . "PREDICTED: F-box only protein 43 isoform X1 [Rattus norvegicus]" . . . . . 88.14 664 100.00 100.00 2.11e-28 . . . . 11529 1 11 no REF XP_006520259 . "PREDICTED: F-box only protein 43 isoform X2 [Mus musculus]" . . . . . 88.14 688 100.00 100.00 1.68e-28 . . . . 11529 1 12 no REF XP_006520260 . "PREDICTED: F-box only protein 43 isoform X1 [Mus musculus]" . . . . . 88.14 641 100.00 100.00 1.20e-28 . . . . 11529 1 13 no SP Q66H04 . "RecName: Full=F-box only protein 43; AltName: Full=Endogenous meiotic inhibitor 2" . . . . . 88.14 664 100.00 100.00 2.11e-28 . . . . 11529 1 14 no SP Q8CDI2 . "RecName: Full=F-box only protein 43; AltName: Full=Endogenous meiotic inhibitor 2" . . . . . 88.14 640 100.00 100.00 1.19e-28 . . . . 11529 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 1 559 GLY . 11529 1 2 560 SER . 11529 1 3 561 SER . 11529 1 4 562 GLY . 11529 1 5 563 SER . 11529 1 6 564 SER . 11529 1 7 565 GLY . 11529 1 8 566 THR . 11529 1 9 567 ASP . 11529 1 10 568 GLU . 11529 1 11 569 ALA . 11529 1 12 570 LEU . 11529 1 13 571 LYS . 11529 1 14 572 PRO . 11529 1 15 573 CYS . 11529 1 16 574 PRO . 11529 1 17 575 ARG . 11529 1 18 576 CYS . 11529 1 19 577 GLN . 11529 1 20 578 SER . 11529 1 21 579 PRO . 11529 1 22 580 ALA . 11529 1 23 581 LYS . 11529 1 24 582 TYR . 11529 1 25 583 GLN . 11529 1 26 584 PRO . 11529 1 27 585 HIS . 11529 1 28 586 LYS . 11529 1 29 587 LYS . 11529 1 30 588 ARG . 11529 1 31 589 GLY . 11529 1 32 590 LEU . 11529 1 33 591 CYS . 11529 1 34 592 SER . 11529 1 35 593 ARG . 11529 1 36 594 LEU . 11529 1 37 595 ALA . 11529 1 38 596 CYS . 11529 1 39 597 GLY . 11529 1 40 598 PHE . 11529 1 41 599 ASP . 11529 1 42 600 PHE . 11529 1 43 601 CYS . 11529 1 44 602 VAL . 11529 1 45 603 LEU . 11529 1 46 604 CYS . 11529 1 47 605 LEU . 11529 1 48 606 CYS . 11529 1 49 607 ALA . 11529 1 50 608 TYR . 11529 1 51 609 HIS . 11529 1 52 610 GLY . 11529 1 53 611 SER . 11529 1 54 612 GLU . 11529 1 55 613 ASP . 11529 1 56 614 CYS . 11529 1 57 615 ARG . 11529 1 58 616 ARG . 11529 1 59 617 GLY . 11529 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 11529 1 . SER 2 2 11529 1 . SER 3 3 11529 1 . GLY 4 4 11529 1 . SER 5 5 11529 1 . SER 6 6 11529 1 . GLY 7 7 11529 1 . THR 8 8 11529 1 . ASP 9 9 11529 1 . GLU 10 10 11529 1 . ALA 11 11 11529 1 . LEU 12 12 11529 1 . LYS 13 13 11529 1 . PRO 14 14 11529 1 . CYS 15 15 11529 1 . PRO 16 16 11529 1 . ARG 17 17 11529 1 . CYS 18 18 11529 1 . GLN 19 19 11529 1 . SER 20 20 11529 1 . PRO 21 21 11529 1 . ALA 22 22 11529 1 . LYS 23 23 11529 1 . TYR 24 24 11529 1 . GLN 25 25 11529 1 . PRO 26 26 11529 1 . HIS 27 27 11529 1 . LYS 28 28 11529 1 . LYS 29 29 11529 1 . ARG 30 30 11529 1 . GLY 31 31 11529 1 . LEU 32 32 11529 1 . CYS 33 33 11529 1 . SER 34 34 11529 1 . ARG 35 35 11529 1 . LEU 36 36 11529 1 . ALA 37 37 11529 1 . CYS 38 38 11529 1 . GLY 39 39 11529 1 . PHE 40 40 11529 1 . ASP 41 41 11529 1 . PHE 42 42 11529 1 . CYS 43 43 11529 1 . VAL 44 44 11529 1 . LEU 45 45 11529 1 . CYS 46 46 11529 1 . LEU 47 47 11529 1 . CYS 48 48 11529 1 . ALA 49 49 11529 1 . TYR 50 50 11529 1 . HIS 51 51 11529 1 . GLY 52 52 11529 1 . SER 53 53 11529 1 . GLU 54 54 11529 1 . ASP 55 55 11529 1 . CYS 56 56 11529 1 . ARG 57 57 11529 1 . ARG 58 58 11529 1 . GLY 59 59 11529 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 11529 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 11529 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 11529 2 ZN 'Three letter code' 11529 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 11529 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 11529 2 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 11529 _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 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . Fbxo43 . . . . 11529 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 11529 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . PCR2.1 . . . . . . 11529 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 11529 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 11529 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 11529 ZN [Zn++] SMILES CACTVS 3.341 11529 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11529 ZN [Zn+2] SMILES ACDLabs 10.04 11529 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11529 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11529 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 11529 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11529 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11529 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11529 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM dTris-HCl(pH 6.5), 100mM NaCl, 1mM d-DTT, 50uM ZnCl2, 0.02% NaN3' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . protein 0.47 . . mM . . . . 11529 1 2 H2O . . . . . . solvent 90 . . % . . . . 11529 1 3 D2O . . . . . . solvent 10 . . % . . . . 11529 1 4 dTris-HCl [U-2H] . . . . . buffer 20 . . mM . . . . 11529 1 5 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11529 1 6 d-DTT [U-2H] . . . . . . 1 . . mM . . . . 11529 1 7 ZnCl2 'natural abundance' . . . . . . 50 . . uM . . . . 11529 1 8 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 11529 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11529 _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' 120 . mM 11529 1 pH 6.5 . pH 11529 1 pressure 1 . atm 11529 1 temperature 298 . K 11529 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11529 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11529 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11529 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11529 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11529 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11529 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11529 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11529 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11529 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11529 _Software.ID 4 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N' . . 11529 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11529 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11529 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11529 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11529 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11529 _Software.ID 6 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 11529 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11529 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11529 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11529 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11529 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 11529 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11529 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11529 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 11529 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Chemical shift correction using NMRPipe Bruker program' 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 external indirect 0.251449530 . . . . . . . . . 11529 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 11529 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 11529 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 11529 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11529 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11529 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 THR H H 1 8.010 . . . . . . A 566 THR H . 11529 1 2 . 1 1 8 8 THR HA H 1 4.315 . . . . . . A 566 THR HA . 11529 1 3 . 1 1 8 8 THR HB H 1 4.192 . . . . . . A 566 THR HB . 11529 1 4 . 1 1 8 8 THR HG21 H 1 1.110 . . . . . . A 566 THR HG21 . 11529 1 5 . 1 1 8 8 THR HG22 H 1 1.110 . . . . . . A 566 THR HG22 . 11529 1 6 . 1 1 8 8 THR HG23 H 1 1.110 . . . . . . A 566 THR HG23 . 11529 1 7 . 1 1 8 8 THR C C 13 171.793 . . . . . . A 566 THR C . 11529 1 8 . 1 1 8 8 THR CA C 13 61.775 . . . . . . A 566 THR CA . 11529 1 9 . 1 1 8 8 THR CB C 13 69.838 . . . . . . A 566 THR CB . 11529 1 10 . 1 1 8 8 THR CG2 C 13 21.544 . . . . . . A 566 THR CG2 . 11529 1 11 . 1 1 8 8 THR N N 15 113.136 . . . . . . A 566 THR N . 11529 1 12 . 1 1 9 9 ASP H H 1 8.330 . . . . . . A 567 ASP H . 11529 1 13 . 1 1 9 9 ASP HA H 1 4.540 . . . . . . A 567 ASP HA . 11529 1 14 . 1 1 9 9 ASP HB2 H 1 2.646 . . . . . . A 567 ASP HB2 . 11529 1 15 . 1 1 9 9 ASP HB3 H 1 2.558 . . . . . . A 567 ASP HB3 . 11529 1 16 . 1 1 9 9 ASP C C 13 173.619 . . . . . . A 567 ASP C . 11529 1 17 . 1 1 9 9 ASP CA C 13 54.576 . . . . . . A 567 ASP CA . 11529 1 18 . 1 1 9 9 ASP CB C 13 41.152 . . . . . . A 567 ASP CB . 11529 1 19 . 1 1 9 9 ASP N N 15 122.658 . . . . . . A 567 ASP N . 11529 1 20 . 1 1 10 10 GLU H H 1 8.239 . . . . . . A 568 GLU H . 11529 1 21 . 1 1 10 10 GLU HA H 1 4.194 . . . . . . A 568 GLU HA . 11529 1 22 . 1 1 10 10 GLU HB2 H 1 1.976 . . . . . . A 568 GLU HB2 . 11529 1 23 . 1 1 10 10 GLU HB3 H 1 1.843 . . . . . . A 568 GLU HB3 . 11529 1 24 . 1 1 10 10 GLU HG2 H 1 2.201 . . . . . . A 568 GLU HG2 . 11529 1 25 . 1 1 10 10 GLU HG3 H 1 2.159 . . . . . . A 568 GLU HG3 . 11529 1 26 . 1 1 10 10 GLU C C 13 173.279 . . . . . . A 568 GLU C . 11529 1 27 . 1 1 10 10 GLU CA C 13 56.750 . . . . . . A 568 GLU CA . 11529 1 28 . 1 1 10 10 GLU CB C 13 30.442 . . . . . . A 568 GLU CB . 11529 1 29 . 1 1 10 10 GLU CG C 13 36.397 . . . . . . A 568 GLU CG . 11529 1 30 . 1 1 10 10 GLU N N 15 121.414 . . . . . . A 568 GLU N . 11529 1 31 . 1 1 11 11 ALA H H 1 8.209 . . . . . . A 569 ALA H . 11529 1 32 . 1 1 11 11 ALA HA H 1 4.244 . . . . . . A 569 ALA HA . 11529 1 33 . 1 1 11 11 ALA HB1 H 1 1.303 . . . . . . A 569 ALA HB1 . 11529 1 34 . 1 1 11 11 ALA HB2 H 1 1.303 . . . . . . A 569 ALA HB2 . 11529 1 35 . 1 1 11 11 ALA HB3 H 1 1.303 . . . . . . A 569 ALA HB3 . 11529 1 36 . 1 1 11 11 ALA C C 13 174.599 . . . . . . A 569 ALA C . 11529 1 37 . 1 1 11 11 ALA CA C 13 52.332 . . . . . . A 569 ALA CA . 11529 1 38 . 1 1 11 11 ALA CB C 13 19.434 . . . . . . A 569 ALA CB . 11529 1 39 . 1 1 11 11 ALA N N 15 124.359 . . . . . . A 569 ALA N . 11529 1 40 . 1 1 12 12 LEU H H 1 7.915 . . . . . . A 570 LEU H . 11529 1 41 . 1 1 12 12 LEU HA H 1 4.538 . . . . . . A 570 LEU HA . 11529 1 42 . 1 1 12 12 LEU HB2 H 1 1.544 . . . . . . A 570 LEU HB2 . 11529 1 43 . 1 1 12 12 LEU HB3 H 1 1.351 . . . . . . A 570 LEU HB3 . 11529 1 44 . 1 1 12 12 LEU HG H 1 1.505 . . . . . . A 570 LEU HG . 11529 1 45 . 1 1 12 12 LEU HD11 H 1 0.809 . . . . . . A 570 LEU HD11 . 11529 1 46 . 1 1 12 12 LEU HD12 H 1 0.809 . . . . . . A 570 LEU HD12 . 11529 1 47 . 1 1 12 12 LEU HD13 H 1 0.809 . . . . . . A 570 LEU HD13 . 11529 1 48 . 1 1 12 12 LEU HD21 H 1 0.703 . . . . . . A 570 LEU HD21 . 11529 1 49 . 1 1 12 12 LEU HD22 H 1 0.703 . . . . . . A 570 LEU HD22 . 11529 1 50 . 1 1 12 12 LEU HD23 H 1 0.703 . . . . . . A 570 LEU HD23 . 11529 1 51 . 1 1 12 12 LEU C C 13 174.336 . . . . . . A 570 LEU C . 11529 1 52 . 1 1 12 12 LEU CA C 13 54.567 . . . . . . A 570 LEU CA . 11529 1 53 . 1 1 12 12 LEU CB C 13 43.050 . . . . . . A 570 LEU CB . 11529 1 54 . 1 1 12 12 LEU CG C 13 27.263 . . . . . . A 570 LEU CG . 11529 1 55 . 1 1 12 12 LEU CD1 C 13 25.250 . . . . . . A 570 LEU CD1 . 11529 1 56 . 1 1 12 12 LEU CD2 C 13 23.472 . . . . . . A 570 LEU CD2 . 11529 1 57 . 1 1 12 12 LEU N N 15 120.973 . . . . . . A 570 LEU N . 11529 1 58 . 1 1 13 13 LYS H H 1 8.428 . . . . . . A 571 LYS H . 11529 1 59 . 1 1 13 13 LYS HA H 1 4.606 . . . . . . A 571 LYS HA . 11529 1 60 . 1 1 13 13 LYS HB2 H 1 1.721 . . . . . . A 571 LYS HB2 . 11529 1 61 . 1 1 13 13 LYS HB3 H 1 1.535 . . . . . . A 571 LYS HB3 . 11529 1 62 . 1 1 13 13 LYS HG2 H 1 1.219 . . . . . . A 571 LYS HG2 . 11529 1 63 . 1 1 13 13 LYS HG3 H 1 1.174 . . . . . . A 571 LYS HG3 . 11529 1 64 . 1 1 13 13 LYS HD2 H 1 1.349 . . . . . . A 571 LYS HD2 . 11529 1 65 . 1 1 13 13 LYS HD3 H 1 1.522 . . . . . . A 571 LYS HD3 . 11529 1 66 . 1 1 13 13 LYS HE2 H 1 2.610 . . . . . . A 571 LYS HE2 . 11529 1 67 . 1 1 13 13 LYS HE3 H 1 2.551 . . . . . . A 571 LYS HE3 . 11529 1 68 . 1 1 13 13 LYS C C 13 171.375 . . . . . . A 571 LYS C . 11529 1 69 . 1 1 13 13 LYS CA C 13 53.398 . . . . . . A 571 LYS CA . 11529 1 70 . 1 1 13 13 LYS CB C 13 33.608 . . . . . . A 571 LYS CB . 11529 1 71 . 1 1 13 13 LYS CG C 13 24.803 . . . . . . A 571 LYS CG . 11529 1 72 . 1 1 13 13 LYS CD C 13 28.914 . . . . . . A 571 LYS CD . 11529 1 73 . 1 1 13 13 LYS CE C 13 41.998 . . . . . . A 571 LYS CE . 11529 1 74 . 1 1 13 13 LYS N N 15 123.121 . . . . . . A 571 LYS N . 11529 1 75 . 1 1 14 14 PRO HA H 1 4.427 . . . . . . A 572 PRO HA . 11529 1 76 . 1 1 14 14 PRO HB2 H 1 1.520 . . . . . . A 572 PRO HB2 . 11529 1 77 . 1 1 14 14 PRO HB3 H 1 1.918 . . . . . . A 572 PRO HB3 . 11529 1 78 . 1 1 14 14 PRO HG2 H 1 1.850 . . . . . . A 572 PRO HG2 . 11529 1 79 . 1 1 14 14 PRO HG3 H 1 1.850 . . . . . . A 572 PRO HG3 . 11529 1 80 . 1 1 14 14 PRO HD2 H 1 3.699 . . . . . . A 572 PRO HD2 . 11529 1 81 . 1 1 14 14 PRO HD3 H 1 3.505 . . . . . . A 572 PRO HD3 . 11529 1 82 . 1 1 14 14 PRO C C 13 172.879 . . . . . . A 572 PRO C . 11529 1 83 . 1 1 14 14 PRO CA C 13 62.060 . . . . . . A 572 PRO CA . 11529 1 84 . 1 1 14 14 PRO CB C 13 32.078 . . . . . . A 572 PRO CB . 11529 1 85 . 1 1 14 14 PRO CG C 13 27.035 . . . . . . A 572 PRO CG . 11529 1 86 . 1 1 14 14 PRO CD C 13 50.224 . . . . . . A 572 PRO CD . 11529 1 87 . 1 1 15 15 CYS H H 1 9.023 . . . . . . A 573 CYS H . 11529 1 88 . 1 1 15 15 CYS HA H 1 4.093 . . . . . . A 573 CYS HA . 11529 1 89 . 1 1 15 15 CYS HB2 H 1 2.907 . . . . . . A 573 CYS HB2 . 11529 1 90 . 1 1 15 15 CYS HB3 H 1 3.093 . . . . . . A 573 CYS HB3 . 11529 1 91 . 1 1 15 15 CYS C C 13 174.116 . . . . . . A 573 CYS C . 11529 1 92 . 1 1 15 15 CYS CA C 13 56.920 . . . . . . A 573 CYS CA . 11529 1 93 . 1 1 15 15 CYS CB C 13 32.104 . . . . . . A 573 CYS CB . 11529 1 94 . 1 1 15 15 CYS N N 15 123.492 . . . . . . A 573 CYS N . 11529 1 95 . 1 1 16 16 PRO HA H 1 4.266 . . . . . . A 574 PRO HA . 11529 1 96 . 1 1 16 16 PRO HB2 H 1 1.857 . . . . . . A 574 PRO HB2 . 11529 1 97 . 1 1 16 16 PRO HB3 H 1 2.209 . . . . . . A 574 PRO HB3 . 11529 1 98 . 1 1 16 16 PRO HG2 H 1 1.598 . . . . . . A 574 PRO HG2 . 11529 1 99 . 1 1 16 16 PRO HG3 H 1 1.544 . . . . . . A 574 PRO HG3 . 11529 1 100 . 1 1 16 16 PRO HD2 H 1 2.854 . . . . . . A 574 PRO HD2 . 11529 1 101 . 1 1 16 16 PRO HD3 H 1 2.631 . . . . . . A 574 PRO HD3 . 11529 1 102 . 1 1 16 16 PRO C C 13 175.089 . . . . . . A 574 PRO C . 11529 1 103 . 1 1 16 16 PRO CA C 13 63.862 . . . . . . A 574 PRO CA . 11529 1 104 . 1 1 16 16 PRO CB C 13 32.476 . . . . . . A 574 PRO CB . 11529 1 105 . 1 1 16 16 PRO CG C 13 27.910 . . . . . . A 574 PRO CG . 11529 1 106 . 1 1 16 16 PRO CD C 13 49.593 . . . . . . A 574 PRO CD . 11529 1 107 . 1 1 17 17 ARG H H 1 9.123 . . . . . . A 575 ARG H . 11529 1 108 . 1 1 17 17 ARG HA H 1 4.130 . . . . . . A 575 ARG HA . 11529 1 109 . 1 1 17 17 ARG HB2 H 1 1.477 . . . . . . A 575 ARG HB2 . 11529 1 110 . 1 1 17 17 ARG HB3 H 1 1.250 . . . . . . A 575 ARG HB3 . 11529 1 111 . 1 1 17 17 ARG HG2 H 1 1.047 . . . . . . A 575 ARG HG2 . 11529 1 112 . 1 1 17 17 ARG HG3 H 1 0.926 . . . . . . A 575 ARG HG3 . 11529 1 113 . 1 1 17 17 ARG HD2 H 1 2.569 . . . . . . A 575 ARG HD2 . 11529 1 114 . 1 1 17 17 ARG HD3 H 1 2.275 . . . . . . A 575 ARG HD3 . 11529 1 115 . 1 1 17 17 ARG HE H 1 6.437 . . . . . . A 575 ARG HE . 11529 1 116 . 1 1 17 17 ARG C C 13 174.817 . . . . . . A 575 ARG C . 11529 1 117 . 1 1 17 17 ARG CA C 13 58.165 . . . . . . A 575 ARG CA . 11529 1 118 . 1 1 17 17 ARG CB C 13 31.575 . . . . . . A 575 ARG CB . 11529 1 119 . 1 1 17 17 ARG CG C 13 27.024 . . . . . . A 575 ARG CG . 11529 1 120 . 1 1 17 17 ARG CD C 13 43.267 . . . . . . A 575 ARG CD . 11529 1 121 . 1 1 17 17 ARG N N 15 121.041 . . . . . . A 575 ARG N . 11529 1 122 . 1 1 17 17 ARG NE N 15 84.734 . . . . . . A 575 ARG NE . 11529 1 123 . 1 1 18 18 CYS H H 1 8.408 . . . . . . A 576 CYS H . 11529 1 124 . 1 1 18 18 CYS HA H 1 4.942 . . . . . . A 576 CYS HA . 11529 1 125 . 1 1 18 18 CYS HB2 H 1 2.512 . . . . . . A 576 CYS HB2 . 11529 1 126 . 1 1 18 18 CYS HB3 H 1 3.097 . . . . . . A 576 CYS HB3 . 11529 1 127 . 1 1 18 18 CYS C C 13 173.546 . . . . . . A 576 CYS C . 11529 1 128 . 1 1 18 18 CYS CA C 13 58.811 . . . . . . A 576 CYS CA . 11529 1 129 . 1 1 18 18 CYS CB C 13 32.325 . . . . . . A 576 CYS CB . 11529 1 130 . 1 1 18 18 CYS N N 15 118.974 . . . . . . A 576 CYS N . 11529 1 131 . 1 1 19 19 GLN H H 1 8.159 . . . . . . A 577 GLN H . 11529 1 132 . 1 1 19 19 GLN HA H 1 3.999 . . . . . . A 577 GLN HA . 11529 1 133 . 1 1 19 19 GLN HB2 H 1 2.371 . . . . . . A 577 GLN HB2 . 11529 1 134 . 1 1 19 19 GLN HB3 H 1 2.284 . . . . . . A 577 GLN HB3 . 11529 1 135 . 1 1 19 19 GLN HG2 H 1 2.171 . . . . . . A 577 GLN HG2 . 11529 1 136 . 1 1 19 19 GLN HG3 H 1 2.171 . . . . . . A 577 GLN HG3 . 11529 1 137 . 1 1 19 19 GLN HE21 H 1 6.360 . . . . . . A 577 GLN HE21 . 11529 1 138 . 1 1 19 19 GLN HE22 H 1 7.139 . . . . . . A 577 GLN HE22 . 11529 1 139 . 1 1 19 19 GLN C C 13 172.358 . . . . . . A 577 GLN C . 11529 1 140 . 1 1 19 19 GLN CA C 13 58.648 . . . . . . A 577 GLN CA . 11529 1 141 . 1 1 19 19 GLN CB C 13 25.775 . . . . . . A 577 GLN CB . 11529 1 142 . 1 1 19 19 GLN CG C 13 34.375 . . . . . . A 577 GLN CG . 11529 1 143 . 1 1 19 19 GLN N N 15 117.134 . . . . . . A 577 GLN N . 11529 1 144 . 1 1 19 19 GLN NE2 N 15 112.357 . . . . . . A 577 GLN NE2 . 11529 1 145 . 1 1 20 20 SER H H 1 8.702 . . . . . . A 578 SER H . 11529 1 146 . 1 1 20 20 SER HA H 1 4.642 . . . . . . A 578 SER HA . 11529 1 147 . 1 1 20 20 SER HB2 H 1 3.815 . . . . . . A 578 SER HB2 . 11529 1 148 . 1 1 20 20 SER HB3 H 1 4.026 . . . . . . A 578 SER HB3 . 11529 1 149 . 1 1 20 20 SER C C 13 167.908 . . . . . . A 578 SER C . 11529 1 150 . 1 1 20 20 SER CA C 13 59.259 . . . . . . A 578 SER CA . 11529 1 151 . 1 1 20 20 SER CB C 13 61.399 . . . . . . A 578 SER CB . 11529 1 152 . 1 1 20 20 SER N N 15 120.402 . . . . . . A 578 SER N . 11529 1 153 . 1 1 21 21 PRO HA H 1 4.300 . . . . . . A 579 PRO HA . 11529 1 154 . 1 1 21 21 PRO HB2 H 1 1.758 . . . . . . A 579 PRO HB2 . 11529 1 155 . 1 1 21 21 PRO HB3 H 1 2.252 . . . . . . A 579 PRO HB3 . 11529 1 156 . 1 1 21 21 PRO HG2 H 1 2.061 . . . . . . A 579 PRO HG2 . 11529 1 157 . 1 1 21 21 PRO HG3 H 1 1.950 . . . . . . A 579 PRO HG3 . 11529 1 158 . 1 1 21 21 PRO HD2 H 1 3.873 . . . . . . A 579 PRO HD2 . 11529 1 159 . 1 1 21 21 PRO HD3 H 1 3.487 . . . . . . A 579 PRO HD3 . 11529 1 160 . 1 1 21 21 PRO C C 13 173.065 . . . . . . A 579 PRO C . 11529 1 161 . 1 1 21 21 PRO CA C 13 64.121 . . . . . . A 579 PRO CA . 11529 1 162 . 1 1 21 21 PRO CB C 13 32.062 . . . . . . A 579 PRO CB . 11529 1 163 . 1 1 21 21 PRO CG C 13 28.160 . . . . . . A 579 PRO CG . 11529 1 164 . 1 1 21 21 PRO CD C 13 50.395 . . . . . . A 579 PRO CD . 11529 1 165 . 1 1 22 22 ALA H H 1 9.012 . . . . . . A 580 ALA H . 11529 1 166 . 1 1 22 22 ALA HA H 1 4.991 . . . . . . A 580 ALA HA . 11529 1 167 . 1 1 22 22 ALA HB1 H 1 1.302 . . . . . . A 580 ALA HB1 . 11529 1 168 . 1 1 22 22 ALA HB2 H 1 1.302 . . . . . . A 580 ALA HB2 . 11529 1 169 . 1 1 22 22 ALA HB3 H 1 1.302 . . . . . . A 580 ALA HB3 . 11529 1 170 . 1 1 22 22 ALA C C 13 173.424 . . . . . . A 580 ALA C . 11529 1 171 . 1 1 22 22 ALA CA C 13 50.320 . . . . . . A 580 ALA CA . 11529 1 172 . 1 1 22 22 ALA CB C 13 21.562 . . . . . . A 580 ALA CB . 11529 1 173 . 1 1 22 22 ALA N N 15 127.768 . . . . . . A 580 ALA N . 11529 1 174 . 1 1 23 23 LYS H H 1 8.183 . . . . . . A 581 LYS H . 11529 1 175 . 1 1 23 23 LYS HA H 1 4.408 . . . . . . A 581 LYS HA . 11529 1 176 . 1 1 23 23 LYS HB2 H 1 1.715 . . . . . . A 581 LYS HB2 . 11529 1 177 . 1 1 23 23 LYS HB3 H 1 1.670 . . . . . . A 581 LYS HB3 . 11529 1 178 . 1 1 23 23 LYS HG2 H 1 1.286 . . . . . . A 581 LYS HG2 . 11529 1 179 . 1 1 23 23 LYS HG3 H 1 1.371 . . . . . . A 581 LYS HG3 . 11529 1 180 . 1 1 23 23 LYS HD2 H 1 1.604 . . . . . . A 581 LYS HD2 . 11529 1 181 . 1 1 23 23 LYS HD3 H 1 1.604 . . . . . . A 581 LYS HD3 . 11529 1 182 . 1 1 23 23 LYS HE2 H 1 2.870 . . . . . . A 581 LYS HE2 . 11529 1 183 . 1 1 23 23 LYS HE3 H 1 2.870 . . . . . . A 581 LYS HE3 . 11529 1 184 . 1 1 23 23 LYS C C 13 173.216 . . . . . . A 581 LYS C . 11529 1 185 . 1 1 23 23 LYS CA C 13 55.586 . . . . . . A 581 LYS CA . 11529 1 186 . 1 1 23 23 LYS CB C 13 33.530 . . . . . . A 581 LYS CB . 11529 1 187 . 1 1 23 23 LYS CG C 13 24.992 . . . . . . A 581 LYS CG . 11529 1 188 . 1 1 23 23 LYS CD C 13 29.013 . . . . . . A 581 LYS CD . 11529 1 189 . 1 1 23 23 LYS CE C 13 42.072 . . . . . . A 581 LYS CE . 11529 1 190 . 1 1 23 23 LYS N N 15 120.942 . . . . . . A 581 LYS N . 11529 1 191 . 1 1 24 24 TYR H H 1 8.712 . . . . . . A 582 TYR H . 11529 1 192 . 1 1 24 24 TYR HA H 1 5.105 . . . . . . A 582 TYR HA . 11529 1 193 . 1 1 24 24 TYR HB2 H 1 2.792 . . . . . . A 582 TYR HB2 . 11529 1 194 . 1 1 24 24 TYR HB3 H 1 2.742 . . . . . . A 582 TYR HB3 . 11529 1 195 . 1 1 24 24 TYR HD1 H 1 6.917 . . . . . . A 582 TYR HD1 . 11529 1 196 . 1 1 24 24 TYR HD2 H 1 6.917 . . . . . . A 582 TYR HD2 . 11529 1 197 . 1 1 24 24 TYR HE1 H 1 6.621 . . . . . . A 582 TYR HE1 . 11529 1 198 . 1 1 24 24 TYR HE2 H 1 6.621 . . . . . . A 582 TYR HE2 . 11529 1 199 . 1 1 24 24 TYR C C 13 172.585 . . . . . . A 582 TYR C . 11529 1 200 . 1 1 24 24 TYR CA C 13 55.866 . . . . . . A 582 TYR CA . 11529 1 201 . 1 1 24 24 TYR CB C 13 40.830 . . . . . . A 582 TYR CB . 11529 1 202 . 1 1 24 24 TYR CD1 C 13 132.795 . . . . . . A 582 TYR CD1 . 11529 1 203 . 1 1 24 24 TYR CD2 C 13 132.795 . . . . . . A 582 TYR CD2 . 11529 1 204 . 1 1 24 24 TYR CE1 C 13 118.112 . . . . . . A 582 TYR CE1 . 11529 1 205 . 1 1 24 24 TYR CE2 C 13 118.112 . . . . . . A 582 TYR CE2 . 11529 1 206 . 1 1 24 24 TYR N N 15 124.407 . . . . . . A 582 TYR N . 11529 1 207 . 1 1 25 25 GLN H H 1 8.658 . . . . . . A 583 GLN H . 11529 1 208 . 1 1 25 25 GLN HA H 1 4.732 . . . . . . A 583 GLN HA . 11529 1 209 . 1 1 25 25 GLN HB2 H 1 1.714 . . . . . . A 583 GLN HB2 . 11529 1 210 . 1 1 25 25 GLN HB3 H 1 1.714 . . . . . . A 583 GLN HB3 . 11529 1 211 . 1 1 25 25 GLN HG2 H 1 2.009 . . . . . . A 583 GLN HG2 . 11529 1 212 . 1 1 25 25 GLN HG3 H 1 2.148 . . . . . . A 583 GLN HG3 . 11529 1 213 . 1 1 25 25 GLN HE21 H 1 7.265 . . . . . . A 583 GLN HE21 . 11529 1 214 . 1 1 25 25 GLN HE22 H 1 6.562 . . . . . . A 583 GLN HE22 . 11529 1 215 . 1 1 25 25 GLN C C 13 172.099 . . . . . . A 583 GLN C . 11529 1 216 . 1 1 25 25 GLN CA C 13 52.257 . . . . . . A 583 GLN CA . 11529 1 217 . 1 1 25 25 GLN CB C 13 29.424 . . . . . . A 583 GLN CB . 11529 1 218 . 1 1 25 25 GLN CG C 13 33.066 . . . . . . A 583 GLN CG . 11529 1 219 . 1 1 25 25 GLN N N 15 124.563 . . . . . . A 583 GLN N . 11529 1 220 . 1 1 25 25 GLN NE2 N 15 110.481 . . . . . . A 583 GLN NE2 . 11529 1 221 . 1 1 26 26 PRO HA H 1 3.867 . . . . . . A 584 PRO HA . 11529 1 222 . 1 1 26 26 PRO HB2 H 1 1.784 . . . . . . A 584 PRO HB2 . 11529 1 223 . 1 1 26 26 PRO HB3 H 1 2.144 . . . . . . A 584 PRO HB3 . 11529 1 224 . 1 1 26 26 PRO HG2 H 1 1.764 . . . . . . A 584 PRO HG2 . 11529 1 225 . 1 1 26 26 PRO HG3 H 1 1.891 . . . . . . A 584 PRO HG3 . 11529 1 226 . 1 1 26 26 PRO HD2 H 1 3.767 . . . . . . A 584 PRO HD2 . 11529 1 227 . 1 1 26 26 PRO HD3 H 1 3.324 . . . . . . A 584 PRO HD3 . 11529 1 228 . 1 1 26 26 PRO CA C 13 65.064 . . . . . . A 584 PRO CA . 11529 1 229 . 1 1 26 26 PRO CB C 13 31.832 . . . . . . A 584 PRO CB . 11529 1 230 . 1 1 26 26 PRO CG C 13 27.198 . . . . . . A 584 PRO CG . 11529 1 231 . 1 1 26 26 PRO CD C 13 51.082 . . . . . . A 584 PRO CD . 11529 1 232 . 1 1 27 27 HIS HA H 1 4.415 . . . . . . A 585 HIS HA . 11529 1 233 . 1 1 27 27 HIS HB2 H 1 3.062 . . . . . . A 585 HIS HB2 . 11529 1 234 . 1 1 27 27 HIS HB3 H 1 3.132 . . . . . . A 585 HIS HB3 . 11529 1 235 . 1 1 27 27 HIS HD2 H 1 6.971 . . . . . . A 585 HIS HD2 . 11529 1 236 . 1 1 27 27 HIS HE1 H 1 7.763 . . . . . . A 585 HIS HE1 . 11529 1 237 . 1 1 27 27 HIS C C 13 173.514 . . . . . . A 585 HIS C . 11529 1 238 . 1 1 27 27 HIS CA C 13 58.237 . . . . . . A 585 HIS CA . 11529 1 239 . 1 1 27 27 HIS CB C 13 29.264 . . . . . . A 585 HIS CB . 11529 1 240 . 1 1 27 27 HIS CD2 C 13 119.015 . . . . . . A 585 HIS CD2 . 11529 1 241 . 1 1 27 27 HIS CE1 C 13 138.707 . . . . . . A 585 HIS CE1 . 11529 1 242 . 1 1 28 28 LYS H H 1 6.983 . . . . . . A 586 LYS H . 11529 1 243 . 1 1 28 28 LYS HA H 1 4.376 . . . . . . A 586 LYS HA . 11529 1 244 . 1 1 28 28 LYS HB2 H 1 1.881 . . . . . . A 586 LYS HB2 . 11529 1 245 . 1 1 28 28 LYS HB3 H 1 1.250 . . . . . . A 586 LYS HB3 . 11529 1 246 . 1 1 28 28 LYS HG2 H 1 1.040 . . . . . . A 586 LYS HG2 . 11529 1 247 . 1 1 28 28 LYS HG3 H 1 0.986 . . . . . . A 586 LYS HG3 . 11529 1 248 . 1 1 28 28 LYS HD2 H 1 1.472 . . . . . . A 586 LYS HD2 . 11529 1 249 . 1 1 28 28 LYS HD3 H 1 1.436 . . . . . . A 586 LYS HD3 . 11529 1 250 . 1 1 28 28 LYS HE2 H 1 2.809 . . . . . . A 586 LYS HE2 . 11529 1 251 . 1 1 28 28 LYS HE3 H 1 2.847 . . . . . . A 586 LYS HE3 . 11529 1 252 . 1 1 28 28 LYS C C 13 172.393 . . . . . . A 586 LYS C . 11529 1 253 . 1 1 28 28 LYS CA C 13 54.781 . . . . . . A 586 LYS CA . 11529 1 254 . 1 1 28 28 LYS CB C 13 33.878 . . . . . . A 586 LYS CB . 11529 1 255 . 1 1 28 28 LYS CG C 13 24.775 . . . . . . A 586 LYS CG . 11529 1 256 . 1 1 28 28 LYS CD C 13 28.597 . . . . . . A 586 LYS CD . 11529 1 257 . 1 1 28 28 LYS CE C 13 42.149 . . . . . . A 586 LYS CE . 11529 1 258 . 1 1 28 28 LYS N N 15 116.897 . . . . . . A 586 LYS N . 11529 1 259 . 1 1 29 29 LYS H H 1 7.846 . . . . . . A 587 LYS H . 11529 1 260 . 1 1 29 29 LYS HA H 1 3.751 . . . . . . A 587 LYS HA . 11529 1 261 . 1 1 29 29 LYS HB2 H 1 2.157 . . . . . . A 587 LYS HB2 . 11529 1 262 . 1 1 29 29 LYS HB3 H 1 1.896 . . . . . . A 587 LYS HB3 . 11529 1 263 . 1 1 29 29 LYS HG2 H 1 1.375 . . . . . . A 587 LYS HG2 . 11529 1 264 . 1 1 29 29 LYS HG3 H 1 1.375 . . . . . . A 587 LYS HG3 . 11529 1 265 . 1 1 29 29 LYS HD2 H 1 1.536 . . . . . . A 587 LYS HD2 . 11529 1 266 . 1 1 29 29 LYS HD3 H 1 1.715 . . . . . . A 587 LYS HD3 . 11529 1 267 . 1 1 29 29 LYS HE2 H 1 2.960 . . . . . . A 587 LYS HE2 . 11529 1 268 . 1 1 29 29 LYS HE3 H 1 2.960 . . . . . . A 587 LYS HE3 . 11529 1 269 . 1 1 29 29 LYS C C 13 172.307 . . . . . . A 587 LYS C . 11529 1 270 . 1 1 29 29 LYS CA C 13 57.210 . . . . . . A 587 LYS CA . 11529 1 271 . 1 1 29 29 LYS CB C 13 29.879 . . . . . . A 587 LYS CB . 11529 1 272 . 1 1 29 29 LYS CG C 13 25.205 . . . . . . A 587 LYS CG . 11529 1 273 . 1 1 29 29 LYS CD C 13 29.476 . . . . . . A 587 LYS CD . 11529 1 274 . 1 1 29 29 LYS CE C 13 42.464 . . . . . . A 587 LYS CE . 11529 1 275 . 1 1 29 29 LYS N N 15 116.833 . . . . . . A 587 LYS N . 11529 1 276 . 1 1 30 30 ARG H H 1 6.996 . . . . . . A 588 ARG H . 11529 1 277 . 1 1 30 30 ARG HA H 1 4.962 . . . . . . A 588 ARG HA . 11529 1 278 . 1 1 30 30 ARG HB2 H 1 1.114 . . . . . . A 588 ARG HB2 . 11529 1 279 . 1 1 30 30 ARG HB3 H 1 1.018 . . . . . . A 588 ARG HB3 . 11529 1 280 . 1 1 30 30 ARG HG2 H 1 0.705 . . . . . . A 588 ARG HG2 . 11529 1 281 . 1 1 30 30 ARG HG3 H 1 0.775 . . . . . . A 588 ARG HG3 . 11529 1 282 . 1 1 30 30 ARG HD2 H 1 2.315 . . . . . . A 588 ARG HD2 . 11529 1 283 . 1 1 30 30 ARG HD3 H 1 1.328 . . . . . . A 588 ARG HD3 . 11529 1 284 . 1 1 30 30 ARG HE H 1 6.009 . . . . . . A 588 ARG HE . 11529 1 285 . 1 1 30 30 ARG C C 13 170.887 . . . . . . A 588 ARG C . 11529 1 286 . 1 1 30 30 ARG CA C 13 54.741 . . . . . . A 588 ARG CA . 11529 1 287 . 1 1 30 30 ARG CB C 13 36.486 . . . . . . A 588 ARG CB . 11529 1 288 . 1 1 30 30 ARG CG C 13 25.821 . . . . . . A 588 ARG CG . 11529 1 289 . 1 1 30 30 ARG CD C 13 43.714 . . . . . . A 588 ARG CD . 11529 1 290 . 1 1 30 30 ARG N N 15 120.783 . . . . . . A 588 ARG N . 11529 1 291 . 1 1 31 31 GLY H H 1 8.696 . . . . . . A 589 GLY H . 11529 1 292 . 1 1 31 31 GLY HA2 H 1 4.455 . . . . . . A 589 GLY HA2 . 11529 1 293 . 1 1 31 31 GLY HA3 H 1 1.685 . . . . . . A 589 GLY HA3 . 11529 1 294 . 1 1 31 31 GLY C C 13 167.619 . . . . . . A 589 GLY C . 11529 1 295 . 1 1 31 31 GLY CA C 13 42.865 . . . . . . A 589 GLY CA . 11529 1 296 . 1 1 31 31 GLY N N 15 115.268 . . . . . . A 589 GLY N . 11529 1 297 . 1 1 32 32 LEU H H 1 8.069 . . . . . . A 590 LEU H . 11529 1 298 . 1 1 32 32 LEU HA H 1 4.989 . . . . . . A 590 LEU HA . 11529 1 299 . 1 1 32 32 LEU HB2 H 1 1.362 . . . . . . A 590 LEU HB2 . 11529 1 300 . 1 1 32 32 LEU HB3 H 1 1.199 . . . . . . A 590 LEU HB3 . 11529 1 301 . 1 1 32 32 LEU HG H 1 1.197 . . . . . . A 590 LEU HG . 11529 1 302 . 1 1 32 32 LEU HD11 H 1 0.574 . . . . . . A 590 LEU HD11 . 11529 1 303 . 1 1 32 32 LEU HD12 H 1 0.574 . . . . . . A 590 LEU HD12 . 11529 1 304 . 1 1 32 32 LEU HD13 H 1 0.574 . . . . . . A 590 LEU HD13 . 11529 1 305 . 1 1 32 32 LEU HD21 H 1 0.594 . . . . . . A 590 LEU HD21 . 11529 1 306 . 1 1 32 32 LEU HD22 H 1 0.594 . . . . . . A 590 LEU HD22 . 11529 1 307 . 1 1 32 32 LEU HD23 H 1 0.594 . . . . . . A 590 LEU HD23 . 11529 1 308 . 1 1 32 32 LEU C C 13 173.671 . . . . . . A 590 LEU C . 11529 1 309 . 1 1 32 32 LEU CA C 13 53.063 . . . . . . A 590 LEU CA . 11529 1 310 . 1 1 32 32 LEU CB C 13 44.414 . . . . . . A 590 LEU CB . 11529 1 311 . 1 1 32 32 LEU CG C 13 26.903 . . . . . . A 590 LEU CG . 11529 1 312 . 1 1 32 32 LEU CD1 C 13 24.446 . . . . . . A 590 LEU CD1 . 11529 1 313 . 1 1 32 32 LEU CD2 C 13 25.089 . . . . . . A 590 LEU CD2 . 11529 1 314 . 1 1 32 32 LEU N N 15 120.787 . . . . . . A 590 LEU N . 11529 1 315 . 1 1 33 33 CYS H H 1 9.042 . . . . . . A 591 CYS H . 11529 1 316 . 1 1 33 33 CYS HA H 1 3.923 . . . . . . A 591 CYS HA . 11529 1 317 . 1 1 33 33 CYS HB2 H 1 3.041 . . . . . . A 591 CYS HB2 . 11529 1 318 . 1 1 33 33 CYS HB3 H 1 3.473 . . . . . . A 591 CYS HB3 . 11529 1 319 . 1 1 33 33 CYS C C 13 173.300 . . . . . . A 591 CYS C . 11529 1 320 . 1 1 33 33 CYS CA C 13 62.844 . . . . . . A 591 CYS CA . 11529 1 321 . 1 1 33 33 CYS CB C 13 31.937 . . . . . . A 591 CYS CB . 11529 1 322 . 1 1 33 33 CYS N N 15 130.534 . . . . . . A 591 CYS N . 11529 1 323 . 1 1 34 34 SER H H 1 8.248 . . . . . . A 592 SER H . 11529 1 324 . 1 1 34 34 SER HA H 1 4.324 . . . . . . A 592 SER HA . 11529 1 325 . 1 1 34 34 SER HB2 H 1 3.985 . . . . . . A 592 SER HB2 . 11529 1 326 . 1 1 34 34 SER HB3 H 1 3.809 . . . . . . A 592 SER HB3 . 11529 1 327 . 1 1 34 34 SER C C 13 171.530 . . . . . . A 592 SER C . 11529 1 328 . 1 1 34 34 SER CA C 13 59.705 . . . . . . A 592 SER CA . 11529 1 329 . 1 1 34 34 SER CB C 13 64.793 . . . . . . A 592 SER CB . 11529 1 330 . 1 1 34 34 SER N N 15 121.815 . . . . . . A 592 SER N . 11529 1 331 . 1 1 35 35 ARG H H 1 9.425 . . . . . . A 593 ARG H . 11529 1 332 . 1 1 35 35 ARG HA H 1 4.374 . . . . . . A 593 ARG HA . 11529 1 333 . 1 1 35 35 ARG HB2 H 1 2.211 . . . . . . A 593 ARG HB2 . 11529 1 334 . 1 1 35 35 ARG HB3 H 1 1.791 . . . . . . A 593 ARG HB3 . 11529 1 335 . 1 1 35 35 ARG HG2 H 1 1.308 . . . . . . A 593 ARG HG2 . 11529 1 336 . 1 1 35 35 ARG HG3 H 1 1.729 . . . . . . A 593 ARG HG3 . 11529 1 337 . 1 1 35 35 ARG HD2 H 1 3.334 . . . . . . A 593 ARG HD2 . 11529 1 338 . 1 1 35 35 ARG HD3 H 1 3.193 . . . . . . A 593 ARG HD3 . 11529 1 339 . 1 1 35 35 ARG C C 13 174.919 . . . . . . A 593 ARG C . 11529 1 340 . 1 1 35 35 ARG CA C 13 56.141 . . . . . . A 593 ARG CA . 11529 1 341 . 1 1 35 35 ARG CB C 13 30.854 . . . . . . A 593 ARG CB . 11529 1 342 . 1 1 35 35 ARG CG C 13 27.996 . . . . . . A 593 ARG CG . 11529 1 343 . 1 1 35 35 ARG CD C 13 43.522 . . . . . . A 593 ARG CD . 11529 1 344 . 1 1 35 35 ARG N N 15 130.025 . . . . . . A 593 ARG N . 11529 1 345 . 1 1 36 36 LEU H H 1 8.697 . . . . . . A 594 LEU H . 11529 1 346 . 1 1 36 36 LEU HA H 1 3.909 . . . . . . A 594 LEU HA . 11529 1 347 . 1 1 36 36 LEU HB2 H 1 1.645 . . . . . . A 594 LEU HB2 . 11529 1 348 . 1 1 36 36 LEU HB3 H 1 1.507 . . . . . . A 594 LEU HB3 . 11529 1 349 . 1 1 36 36 LEU HG H 1 1.643 . . . . . . A 594 LEU HG . 11529 1 350 . 1 1 36 36 LEU HD11 H 1 0.885 . . . . . . A 594 LEU HD11 . 11529 1 351 . 1 1 36 36 LEU HD12 H 1 0.885 . . . . . . A 594 LEU HD12 . 11529 1 352 . 1 1 36 36 LEU HD13 H 1 0.885 . . . . . . A 594 LEU HD13 . 11529 1 353 . 1 1 36 36 LEU HD21 H 1 0.833 . . . . . . A 594 LEU HD21 . 11529 1 354 . 1 1 36 36 LEU HD22 H 1 0.833 . . . . . . A 594 LEU HD22 . 11529 1 355 . 1 1 36 36 LEU HD23 H 1 0.833 . . . . . . A 594 LEU HD23 . 11529 1 356 . 1 1 36 36 LEU C C 13 176.016 . . . . . . A 594 LEU C . 11529 1 357 . 1 1 36 36 LEU CA C 13 58.498 . . . . . . A 594 LEU CA . 11529 1 358 . 1 1 36 36 LEU CB C 13 41.441 . . . . . . A 594 LEU CB . 11529 1 359 . 1 1 36 36 LEU CG C 13 27.142 . . . . . . A 594 LEU CG . 11529 1 360 . 1 1 36 36 LEU CD1 C 13 24.486 . . . . . . A 594 LEU CD1 . 11529 1 361 . 1 1 36 36 LEU CD2 C 13 23.820 . . . . . . A 594 LEU CD2 . 11529 1 362 . 1 1 36 36 LEU N N 15 132.398 . . . . . . A 594 LEU N . 11529 1 363 . 1 1 37 37 ALA H H 1 8.118 . . . . . . A 595 ALA H . 11529 1 364 . 1 1 37 37 ALA HA H 1 4.069 . . . . . . A 595 ALA HA . 11529 1 365 . 1 1 37 37 ALA HB1 H 1 1.273 . . . . . . A 595 ALA HB1 . 11529 1 366 . 1 1 37 37 ALA HB2 H 1 1.273 . . . . . . A 595 ALA HB2 . 11529 1 367 . 1 1 37 37 ALA HB3 H 1 1.273 . . . . . . A 595 ALA HB3 . 11529 1 368 . 1 1 37 37 ALA C C 13 173.745 . . . . . . A 595 ALA C . 11529 1 369 . 1 1 37 37 ALA CA C 13 53.266 . . . . . . A 595 ALA CA . 11529 1 370 . 1 1 37 37 ALA CB C 13 18.792 . . . . . . A 595 ALA CB . 11529 1 371 . 1 1 37 37 ALA N N 15 116.744 . . . . . . A 595 ALA N . 11529 1 372 . 1 1 38 38 CYS H H 1 7.702 . . . . . . A 596 CYS H . 11529 1 373 . 1 1 38 38 CYS HA H 1 4.411 . . . . . . A 596 CYS HA . 11529 1 374 . 1 1 38 38 CYS HB2 H 1 3.241 . . . . . . A 596 CYS HB2 . 11529 1 375 . 1 1 38 38 CYS HB3 H 1 2.608 . . . . . . A 596 CYS HB3 . 11529 1 376 . 1 1 38 38 CYS C C 13 173.195 . . . . . . A 596 CYS C . 11529 1 377 . 1 1 38 38 CYS CA C 13 59.927 . . . . . . A 596 CYS CA . 11529 1 378 . 1 1 38 38 CYS CB C 13 31.917 . . . . . . A 596 CYS CB . 11529 1 379 . 1 1 38 38 CYS N N 15 120.451 . . . . . . A 596 CYS N . 11529 1 380 . 1 1 39 39 GLY H H 1 8.175 . . . . . . A 597 GLY H . 11529 1 381 . 1 1 39 39 GLY HA2 H 1 3.919 . . . . . . A 597 GLY HA2 . 11529 1 382 . 1 1 39 39 GLY HA3 H 1 3.814 . . . . . . A 597 GLY HA3 . 11529 1 383 . 1 1 39 39 GLY C C 13 171.494 . . . . . . A 597 GLY C . 11529 1 384 . 1 1 39 39 GLY CA C 13 46.662 . . . . . . A 597 GLY CA . 11529 1 385 . 1 1 39 39 GLY N N 15 106.187 . . . . . . A 597 GLY N . 11529 1 386 . 1 1 40 40 PHE H H 1 8.199 . . . . . . A 598 PHE H . 11529 1 387 . 1 1 40 40 PHE HA H 1 4.580 . . . . . . A 598 PHE HA . 11529 1 388 . 1 1 40 40 PHE HB2 H 1 3.452 . . . . . . A 598 PHE HB2 . 11529 1 389 . 1 1 40 40 PHE HB3 H 1 3.211 . . . . . . A 598 PHE HB3 . 11529 1 390 . 1 1 40 40 PHE HD1 H 1 7.251 . . . . . . A 598 PHE HD1 . 11529 1 391 . 1 1 40 40 PHE HD2 H 1 7.251 . . . . . . A 598 PHE HD2 . 11529 1 392 . 1 1 40 40 PHE HE1 H 1 7.097 . . . . . . A 598 PHE HE1 . 11529 1 393 . 1 1 40 40 PHE HE2 H 1 7.097 . . . . . . A 598 PHE HE2 . 11529 1 394 . 1 1 40 40 PHE HZ H 1 7.176 . . . . . . A 598 PHE HZ . 11529 1 395 . 1 1 40 40 PHE C C 13 170.036 . . . . . . A 598 PHE C . 11529 1 396 . 1 1 40 40 PHE CA C 13 58.811 . . . . . . A 598 PHE CA . 11529 1 397 . 1 1 40 40 PHE CB C 13 39.727 . . . . . . A 598 PHE CB . 11529 1 398 . 1 1 40 40 PHE CD1 C 13 130.994 . . . . . . A 598 PHE CD1 . 11529 1 399 . 1 1 40 40 PHE CD2 C 13 130.994 . . . . . . A 598 PHE CD2 . 11529 1 400 . 1 1 40 40 PHE CE1 C 13 131.398 . . . . . . A 598 PHE CE1 . 11529 1 401 . 1 1 40 40 PHE CE2 C 13 131.398 . . . . . . A 598 PHE CE2 . 11529 1 402 . 1 1 40 40 PHE CZ C 13 129.363 . . . . . . A 598 PHE CZ . 11529 1 403 . 1 1 40 40 PHE N N 15 123.710 . . . . . . A 598 PHE N . 11529 1 404 . 1 1 41 41 ASP H H 1 7.245 . . . . . . A 599 ASP H . 11529 1 405 . 1 1 41 41 ASP HA H 1 5.233 . . . . . . A 599 ASP HA . 11529 1 406 . 1 1 41 41 ASP HB2 H 1 2.829 . . . . . . A 599 ASP HB2 . 11529 1 407 . 1 1 41 41 ASP HB3 H 1 2.335 . . . . . . A 599 ASP HB3 . 11529 1 408 . 1 1 41 41 ASP C C 13 174.091 . . . . . . A 599 ASP C . 11529 1 409 . 1 1 41 41 ASP CA C 13 52.271 . . . . . . A 599 ASP CA . 11529 1 410 . 1 1 41 41 ASP CB C 13 41.853 . . . . . . A 599 ASP CB . 11529 1 411 . 1 1 41 41 ASP N N 15 128.918 . . . . . . A 599 ASP N . 11529 1 412 . 1 1 42 42 PHE H H 1 9.131 . . . . . . A 600 PHE H . 11529 1 413 . 1 1 42 42 PHE HA H 1 5.065 . . . . . . A 600 PHE HA . 11529 1 414 . 1 1 42 42 PHE HB2 H 1 2.344 . . . . . . A 600 PHE HB2 . 11529 1 415 . 1 1 42 42 PHE HB3 H 1 1.618 . . . . . . A 600 PHE HB3 . 11529 1 416 . 1 1 42 42 PHE HD1 H 1 6.772 . . . . . . A 600 PHE HD1 . 11529 1 417 . 1 1 42 42 PHE HD2 H 1 6.772 . . . . . . A 600 PHE HD2 . 11529 1 418 . 1 1 42 42 PHE HE1 H 1 6.926 . . . . . . A 600 PHE HE1 . 11529 1 419 . 1 1 42 42 PHE HE2 H 1 6.926 . . . . . . A 600 PHE HE2 . 11529 1 420 . 1 1 42 42 PHE HZ H 1 6.867 . . . . . . A 600 PHE HZ . 11529 1 421 . 1 1 42 42 PHE C C 13 170.981 . . . . . . A 600 PHE C . 11529 1 422 . 1 1 42 42 PHE CA C 13 54.792 . . . . . . A 600 PHE CA . 11529 1 423 . 1 1 42 42 PHE CB C 13 42.675 . . . . . . A 600 PHE CB . 11529 1 424 . 1 1 42 42 PHE CD1 C 13 134.458 . . . . . . A 600 PHE CD1 . 11529 1 425 . 1 1 42 42 PHE CD2 C 13 134.458 . . . . . . A 600 PHE CD2 . 11529 1 426 . 1 1 42 42 PHE CE1 C 13 130.137 . . . . . . A 600 PHE CE1 . 11529 1 427 . 1 1 42 42 PHE CE2 C 13 130.137 . . . . . . A 600 PHE CE2 . 11529 1 428 . 1 1 42 42 PHE CZ C 13 129.326 . . . . . . A 600 PHE CZ . 11529 1 429 . 1 1 42 42 PHE N N 15 120.860 . . . . . . A 600 PHE N . 11529 1 430 . 1 1 43 43 CYS H H 1 8.711 . . . . . . A 601 CYS H . 11529 1 431 . 1 1 43 43 CYS HA H 1 4.918 . . . . . . A 601 CYS HA . 11529 1 432 . 1 1 43 43 CYS HB2 H 1 3.433 . . . . . . A 601 CYS HB2 . 11529 1 433 . 1 1 43 43 CYS HB3 H 1 2.544 . . . . . . A 601 CYS HB3 . 11529 1 434 . 1 1 43 43 CYS C C 13 175.770 . . . . . . A 601 CYS C . 11529 1 435 . 1 1 43 43 CYS CA C 13 57.836 . . . . . . A 601 CYS CA . 11529 1 436 . 1 1 43 43 CYS CB C 13 31.950 . . . . . . A 601 CYS CB . 11529 1 437 . 1 1 43 43 CYS N N 15 121.689 . . . . . . A 601 CYS N . 11529 1 438 . 1 1 44 44 VAL H H 1 8.035 . . . . . . A 602 VAL H . 11529 1 439 . 1 1 44 44 VAL HA H 1 4.130 . . . . . . A 602 VAL HA . 11529 1 440 . 1 1 44 44 VAL HB H 1 2.190 . . . . . . A 602 VAL HB . 11529 1 441 . 1 1 44 44 VAL HG11 H 1 0.581 . . . . . . A 602 VAL HG11 . 11529 1 442 . 1 1 44 44 VAL HG12 H 1 0.581 . . . . . . A 602 VAL HG12 . 11529 1 443 . 1 1 44 44 VAL HG13 H 1 0.581 . . . . . . A 602 VAL HG13 . 11529 1 444 . 1 1 44 44 VAL HG21 H 1 0.709 . . . . . . A 602 VAL HG21 . 11529 1 445 . 1 1 44 44 VAL HG22 H 1 0.709 . . . . . . A 602 VAL HG22 . 11529 1 446 . 1 1 44 44 VAL HG23 H 1 0.709 . . . . . . A 602 VAL HG23 . 11529 1 447 . 1 1 44 44 VAL C C 13 172.195 . . . . . . A 602 VAL C . 11529 1 448 . 1 1 44 44 VAL CA C 13 63.963 . . . . . . A 602 VAL CA . 11529 1 449 . 1 1 44 44 VAL CB C 13 30.748 . . . . . . A 602 VAL CB . 11529 1 450 . 1 1 44 44 VAL CG1 C 13 21.141 . . . . . . A 602 VAL CG1 . 11529 1 451 . 1 1 44 44 VAL CG2 C 13 19.147 . . . . . . A 602 VAL CG2 . 11529 1 452 . 1 1 44 44 VAL N N 15 123.237 . . . . . . A 602 VAL N . 11529 1 453 . 1 1 45 45 LEU H H 1 9.245 . . . . . . A 603 LEU H . 11529 1 454 . 1 1 45 45 LEU HA H 1 4.382 . . . . . . A 603 LEU HA . 11529 1 455 . 1 1 45 45 LEU HB2 H 1 1.975 . . . . . . A 603 LEU HB2 . 11529 1 456 . 1 1 45 45 LEU HB3 H 1 1.451 . . . . . . A 603 LEU HB3 . 11529 1 457 . 1 1 45 45 LEU HG H 1 1.602 . . . . . . A 603 LEU HG . 11529 1 458 . 1 1 45 45 LEU HD11 H 1 0.915 . . . . . . A 603 LEU HD11 . 11529 1 459 . 1 1 45 45 LEU HD12 H 1 0.915 . . . . . . A 603 LEU HD12 . 11529 1 460 . 1 1 45 45 LEU HD13 H 1 0.915 . . . . . . A 603 LEU HD13 . 11529 1 461 . 1 1 45 45 LEU HD21 H 1 0.810 . . . . . . A 603 LEU HD21 . 11529 1 462 . 1 1 45 45 LEU HD22 H 1 0.810 . . . . . . A 603 LEU HD22 . 11529 1 463 . 1 1 45 45 LEU HD23 H 1 0.810 . . . . . . A 603 LEU HD23 . 11529 1 464 . 1 1 45 45 LEU C C 13 175.240 . . . . . . A 603 LEU C . 11529 1 465 . 1 1 45 45 LEU CA C 13 56.796 . . . . . . A 603 LEU CA . 11529 1 466 . 1 1 45 45 LEU CB C 13 42.474 . . . . . . A 603 LEU CB . 11529 1 467 . 1 1 45 45 LEU CG C 13 27.109 . . . . . . A 603 LEU CG . 11529 1 468 . 1 1 45 45 LEU CD1 C 13 25.845 . . . . . . A 603 LEU CD1 . 11529 1 469 . 1 1 45 45 LEU CD2 C 13 22.522 . . . . . . A 603 LEU CD2 . 11529 1 470 . 1 1 45 45 LEU N N 15 122.963 . . . . . . A 603 LEU N . 11529 1 471 . 1 1 46 46 CYS H H 1 8.134 . . . . . . A 604 CYS H . 11529 1 472 . 1 1 46 46 CYS HA H 1 4.875 . . . . . . A 604 CYS HA . 11529 1 473 . 1 1 46 46 CYS HB2 H 1 3.403 . . . . . . A 604 CYS HB2 . 11529 1 474 . 1 1 46 46 CYS HB3 H 1 3.008 . . . . . . A 604 CYS HB3 . 11529 1 475 . 1 1 46 46 CYS C C 13 173.280 . . . . . . A 604 CYS C . 11529 1 476 . 1 1 46 46 CYS CA C 13 58.330 . . . . . . A 604 CYS CA . 11529 1 477 . 1 1 46 46 CYS CB C 13 32.247 . . . . . . A 604 CYS CB . 11529 1 478 . 1 1 46 46 CYS N N 15 116.618 . . . . . . A 604 CYS N . 11529 1 479 . 1 1 47 47 LEU H H 1 8.101 . . . . . . A 605 LEU H . 11529 1 480 . 1 1 47 47 LEU HA H 1 4.310 . . . . . . A 605 LEU HA . 11529 1 481 . 1 1 47 47 LEU HB2 H 1 2.241 . . . . . . A 605 LEU HB2 . 11529 1 482 . 1 1 47 47 LEU HB3 H 1 1.547 . . . . . . A 605 LEU HB3 . 11529 1 483 . 1 1 47 47 LEU HG H 1 1.425 . . . . . . A 605 LEU HG . 11529 1 484 . 1 1 47 47 LEU HD11 H 1 0.881 . . . . . . A 605 LEU HD11 . 11529 1 485 . 1 1 47 47 LEU HD12 H 1 0.881 . . . . . . A 605 LEU HD12 . 11529 1 486 . 1 1 47 47 LEU HD13 H 1 0.881 . . . . . . A 605 LEU HD13 . 11529 1 487 . 1 1 47 47 LEU HD21 H 1 0.874 . . . . . . A 605 LEU HD21 . 11529 1 488 . 1 1 47 47 LEU HD22 H 1 0.874 . . . . . . A 605 LEU HD22 . 11529 1 489 . 1 1 47 47 LEU HD23 H 1 0.874 . . . . . . A 605 LEU HD23 . 11529 1 490 . 1 1 47 47 LEU C C 13 172.832 . . . . . . A 605 LEU C . 11529 1 491 . 1 1 47 47 LEU CA C 13 57.023 . . . . . . A 605 LEU CA . 11529 1 492 . 1 1 47 47 LEU CB C 13 37.603 . . . . . . A 605 LEU CB . 11529 1 493 . 1 1 47 47 LEU CG C 13 27.060 . . . . . . A 605 LEU CG . 11529 1 494 . 1 1 47 47 LEU CD1 C 13 25.428 . . . . . . A 605 LEU CD1 . 11529 1 495 . 1 1 47 47 LEU CD2 C 13 22.472 . . . . . . A 605 LEU CD2 . 11529 1 496 . 1 1 47 47 LEU N N 15 118.428 . . . . . . A 605 LEU N . 11529 1 497 . 1 1 48 48 CYS H H 1 8.107 . . . . . . A 606 CYS H . 11529 1 498 . 1 1 48 48 CYS HA H 1 4.899 . . . . . . A 606 CYS HA . 11529 1 499 . 1 1 48 48 CYS HB2 H 1 3.412 . . . . . . A 606 CYS HB2 . 11529 1 500 . 1 1 48 48 CYS HB3 H 1 3.181 . . . . . . A 606 CYS HB3 . 11529 1 501 . 1 1 48 48 CYS C C 13 170.192 . . . . . . A 606 CYS C . 11529 1 502 . 1 1 48 48 CYS CA C 13 58.504 . . . . . . A 606 CYS CA . 11529 1 503 . 1 1 48 48 CYS CB C 13 30.446 . . . . . . A 606 CYS CB . 11529 1 504 . 1 1 48 48 CYS N N 15 116.435 . . . . . . A 606 CYS N . 11529 1 505 . 1 1 49 49 ALA H H 1 8.691 . . . . . . A 607 ALA H . 11529 1 506 . 1 1 49 49 ALA HA H 1 4.098 . . . . . . A 607 ALA HA . 11529 1 507 . 1 1 49 49 ALA HB1 H 1 1.535 . . . . . . A 607 ALA HB1 . 11529 1 508 . 1 1 49 49 ALA HB2 H 1 1.535 . . . . . . A 607 ALA HB2 . 11529 1 509 . 1 1 49 49 ALA HB3 H 1 1.535 . . . . . . A 607 ALA HB3 . 11529 1 510 . 1 1 49 49 ALA C C 13 174.200 . . . . . . A 607 ALA C . 11529 1 511 . 1 1 49 49 ALA CA C 13 52.922 . . . . . . A 607 ALA CA . 11529 1 512 . 1 1 49 49 ALA CB C 13 18.618 . . . . . . A 607 ALA CB . 11529 1 513 . 1 1 49 49 ALA N N 15 121.863 . . . . . . A 607 ALA N . 11529 1 514 . 1 1 50 50 TYR H H 1 8.609 . . . . . . A 608 TYR H . 11529 1 515 . 1 1 50 50 TYR HA H 1 3.601 . . . . . . A 608 TYR HA . 11529 1 516 . 1 1 50 50 TYR HB2 H 1 2.564 . . . . . . A 608 TYR HB2 . 11529 1 517 . 1 1 50 50 TYR HB3 H 1 2.345 . . . . . . A 608 TYR HB3 . 11529 1 518 . 1 1 50 50 TYR HD1 H 1 6.850 . . . . . . A 608 TYR HD1 . 11529 1 519 . 1 1 50 50 TYR HD2 H 1 6.850 . . . . . . A 608 TYR HD2 . 11529 1 520 . 1 1 50 50 TYR HE1 H 1 6.780 . . . . . . A 608 TYR HE1 . 11529 1 521 . 1 1 50 50 TYR HE2 H 1 6.780 . . . . . . A 608 TYR HE2 . 11529 1 522 . 1 1 50 50 TYR C C 13 173.279 . . . . . . A 608 TYR C . 11529 1 523 . 1 1 50 50 TYR CA C 13 61.543 . . . . . . A 608 TYR CA . 11529 1 524 . 1 1 50 50 TYR CB C 13 38.266 . . . . . . A 608 TYR CB . 11529 1 525 . 1 1 50 50 TYR CD1 C 13 133.486 . . . . . . A 608 TYR CD1 . 11529 1 526 . 1 1 50 50 TYR CD2 C 13 133.486 . . . . . . A 608 TYR CD2 . 11529 1 527 . 1 1 50 50 TYR CE1 C 13 118.384 . . . . . . A 608 TYR CE1 . 11529 1 528 . 1 1 50 50 TYR CE2 C 13 118.384 . . . . . . A 608 TYR CE2 . 11529 1 529 . 1 1 50 50 TYR N N 15 122.484 . . . . . . A 608 TYR N . 11529 1 530 . 1 1 51 51 HIS H H 1 7.335 . . . . . . A 609 HIS H . 11529 1 531 . 1 1 51 51 HIS HA H 1 4.692 . . . . . . A 609 HIS HA . 11529 1 532 . 1 1 51 51 HIS HB2 H 1 3.219 . . . . . . A 609 HIS HB2 . 11529 1 533 . 1 1 51 51 HIS HB3 H 1 2.705 . . . . . . A 609 HIS HB3 . 11529 1 534 . 1 1 51 51 HIS HD2 H 1 6.681 . . . . . . A 609 HIS HD2 . 11529 1 535 . 1 1 51 51 HIS HE1 H 1 7.950 . . . . . . A 609 HIS HE1 . 11529 1 536 . 1 1 51 51 HIS C C 13 172.493 . . . . . . A 609 HIS C . 11529 1 537 . 1 1 51 51 HIS CA C 13 53.151 . . . . . . A 609 HIS CA . 11529 1 538 . 1 1 51 51 HIS CB C 13 27.160 . . . . . . A 609 HIS CB . 11529 1 539 . 1 1 51 51 HIS CD2 C 13 128.509 . . . . . . A 609 HIS CD2 . 11529 1 540 . 1 1 51 51 HIS CE1 C 13 141.148 . . . . . . A 609 HIS CE1 . 11529 1 541 . 1 1 51 51 HIS N N 15 124.096 . . . . . . A 609 HIS N . 11529 1 542 . 1 1 52 52 GLY H H 1 5.241 . . . . . . A 610 GLY H . 11529 1 543 . 1 1 52 52 GLY HA2 H 1 3.779 . . . . . . A 610 GLY HA2 . 11529 1 544 . 1 1 52 52 GLY HA3 H 1 3.406 . . . . . . A 610 GLY HA3 . 11529 1 545 . 1 1 52 52 GLY C C 13 171.156 . . . . . . A 610 GLY C . 11529 1 546 . 1 1 52 52 GLY CA C 13 46.648 . . . . . . A 610 GLY CA . 11529 1 547 . 1 1 52 52 GLY N N 15 106.656 . . . . . . A 610 GLY N . 11529 1 548 . 1 1 53 53 SER H H 1 8.620 . . . . . . A 611 SER H . 11529 1 549 . 1 1 53 53 SER HA H 1 4.367 . . . . . . A 611 SER HA . 11529 1 550 . 1 1 53 53 SER HB2 H 1 3.957 . . . . . . A 611 SER HB2 . 11529 1 551 . 1 1 53 53 SER HB3 H 1 3.823 . . . . . . A 611 SER HB3 . 11529 1 552 . 1 1 53 53 SER C C 13 171.656 . . . . . . A 611 SER C . 11529 1 553 . 1 1 53 53 SER CA C 13 58.232 . . . . . . A 611 SER CA . 11529 1 554 . 1 1 53 53 SER CB C 13 63.543 . . . . . . A 611 SER CB . 11529 1 555 . 1 1 53 53 SER N N 15 117.678 . . . . . . A 611 SER N . 11529 1 556 . 1 1 54 54 GLU H H 1 7.642 . . . . . . A 612 GLU H . 11529 1 557 . 1 1 54 54 GLU HA H 1 4.265 . . . . . . A 612 GLU HA . 11529 1 558 . 1 1 54 54 GLU HB2 H 1 2.095 . . . . . . A 612 GLU HB2 . 11529 1 559 . 1 1 54 54 GLU HB3 H 1 2.032 . . . . . . A 612 GLU HB3 . 11529 1 560 . 1 1 54 54 GLU HG2 H 1 2.319 . . . . . . A 612 GLU HG2 . 11529 1 561 . 1 1 54 54 GLU HG3 H 1 2.319 . . . . . . A 612 GLU HG3 . 11529 1 562 . 1 1 54 54 GLU C C 13 173.984 . . . . . . A 612 GLU C . 11529 1 563 . 1 1 54 54 GLU CA C 13 56.062 . . . . . . A 612 GLU CA . 11529 1 564 . 1 1 54 54 GLU CB C 13 30.507 . . . . . . A 612 GLU CB . 11529 1 565 . 1 1 54 54 GLU CG C 13 36.323 . . . . . . A 612 GLU CG . 11529 1 566 . 1 1 54 54 GLU N N 15 121.382 . . . . . . A 612 GLU N . 11529 1 567 . 1 1 55 55 ASP H H 1 8.546 . . . . . . A 613 ASP H . 11529 1 568 . 1 1 55 55 ASP HA H 1 4.558 . . . . . . A 613 ASP HA . 11529 1 569 . 1 1 55 55 ASP HB2 H 1 2.649 . . . . . . A 613 ASP HB2 . 11529 1 570 . 1 1 55 55 ASP HB3 H 1 2.455 . . . . . . A 613 ASP HB3 . 11529 1 571 . 1 1 55 55 ASP C C 13 173.930 . . . . . . A 613 ASP C . 11529 1 572 . 1 1 55 55 ASP CA C 13 54.729 . . . . . . A 613 ASP CA . 11529 1 573 . 1 1 55 55 ASP CB C 13 41.160 . . . . . . A 613 ASP CB . 11529 1 574 . 1 1 55 55 ASP N N 15 122.109 . . . . . . A 613 ASP N . 11529 1 575 . 1 1 56 56 CYS H H 1 8.018 . . . . . . A 614 CYS H . 11529 1 576 . 1 1 56 56 CYS HA H 1 3.460 . . . . . . A 614 CYS HA . 11529 1 577 . 1 1 56 56 CYS HB2 H 1 2.720 . . . . . . A 614 CYS HB2 . 11529 1 578 . 1 1 56 56 CYS HB3 H 1 2.521 . . . . . . A 614 CYS HB3 . 11529 1 579 . 1 1 56 56 CYS C C 13 173.274 . . . . . . A 614 CYS C . 11529 1 580 . 1 1 56 56 CYS CA C 13 60.044 . . . . . . A 614 CYS CA . 11529 1 581 . 1 1 56 56 CYS CB C 13 30.947 . . . . . . A 614 CYS CB . 11529 1 582 . 1 1 56 56 CYS N N 15 121.636 . . . . . . A 614 CYS N . 11529 1 583 . 1 1 57 57 ARG H H 1 8.423 . . . . . . A 615 ARG H . 11529 1 584 . 1 1 57 57 ARG HA H 1 4.130 . . . . . . A 615 ARG HA . 11529 1 585 . 1 1 57 57 ARG HB2 H 1 1.725 . . . . . . A 615 ARG HB2 . 11529 1 586 . 1 1 57 57 ARG HB3 H 1 1.628 . . . . . . A 615 ARG HB3 . 11529 1 587 . 1 1 57 57 ARG HG2 H 1 1.512 . . . . . . A 615 ARG HG2 . 11529 1 588 . 1 1 57 57 ARG HG3 H 1 1.484 . . . . . . A 615 ARG HG3 . 11529 1 589 . 1 1 57 57 ARG HD2 H 1 3.079 . . . . . . A 615 ARG HD2 . 11529 1 590 . 1 1 57 57 ARG HD3 H 1 3.079 . . . . . . A 615 ARG HD3 . 11529 1 591 . 1 1 57 57 ARG C C 13 173.392 . . . . . . A 615 ARG C . 11529 1 592 . 1 1 57 57 ARG CA C 13 56.077 . . . . . . A 615 ARG CA . 11529 1 593 . 1 1 57 57 ARG CB C 13 30.225 . . . . . . A 615 ARG CB . 11529 1 594 . 1 1 57 57 ARG CG C 13 27.128 . . . . . . A 615 ARG CG . 11529 1 595 . 1 1 57 57 ARG CD C 13 43.327 . . . . . . A 615 ARG CD . 11529 1 596 . 1 1 57 57 ARG N N 15 122.051 . . . . . . A 615 ARG N . 11529 1 597 . 1 1 58 58 ARG H H 1 8.216 . . . . . . A 616 ARG H . 11529 1 598 . 1 1 58 58 ARG HA H 1 4.300 . . . . . . A 616 ARG HA . 11529 1 599 . 1 1 58 58 ARG HB2 H 1 1.804 . . . . . . A 616 ARG HB2 . 11529 1 600 . 1 1 58 58 ARG HB3 H 1 1.660 . . . . . . A 616 ARG HB3 . 11529 1 601 . 1 1 58 58 ARG HG2 H 1 1.533 . . . . . . A 616 ARG HG2 . 11529 1 602 . 1 1 58 58 ARG HG3 H 1 1.533 . . . . . . A 616 ARG HG3 . 11529 1 603 . 1 1 58 58 ARG HD2 H 1 3.113 . . . . . . A 616 ARG HD2 . 11529 1 604 . 1 1 58 58 ARG HD3 H 1 3.113 . . . . . . A 616 ARG HD3 . 11529 1 605 . 1 1 58 58 ARG C C 13 172.974 . . . . . . A 616 ARG C . 11529 1 606 . 1 1 58 58 ARG CA C 13 55.787 . . . . . . A 616 ARG CA . 11529 1 607 . 1 1 58 58 ARG CB C 13 31.026 . . . . . . A 616 ARG CB . 11529 1 608 . 1 1 58 58 ARG CG C 13 26.989 . . . . . . A 616 ARG CG . 11529 1 609 . 1 1 58 58 ARG CD C 13 43.305 . . . . . . A 616 ARG CD . 11529 1 610 . 1 1 58 58 ARG N N 15 122.987 . . . . . . A 616 ARG N . 11529 1 611 . 1 1 59 59 GLY H H 1 7.943 . . . . . . A 617 GLY H . 11529 1 612 . 1 1 59 59 GLY HA2 H 1 3.651 . . . . . . A 617 GLY HA2 . 11529 1 613 . 1 1 59 59 GLY HA3 H 1 3.681 . . . . . . A 617 GLY HA3 . 11529 1 614 . 1 1 59 59 GLY C C 13 176.247 . . . . . . A 617 GLY C . 11529 1 615 . 1 1 59 59 GLY CA C 13 46.118 . . . . . . A 617 GLY CA . 11529 1 616 . 1 1 59 59 GLY N N 15 116.364 . . . . . . A 617 GLY N . 11529 1 stop_ save_