data_4024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4024 _Entry.Title ; 1H Resonance Assignments for the First Zinc Finger Domain of SWI5 ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1996-08-09 _Entry.Accession_date 1997-04-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Robert Dutnall . N. . 4024 2 David Neuhaus . . . 4024 3 Daniela Rhodes . . . 4024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 430 4024 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-10-12 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4024 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4024 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96347358 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Dutnall, R.N., Neuhaus, D., and Rhodes, D., "The Solution Structure of the First Zinc Finger Domain of SWI5: A Novel Extension to a Common Fold," Structure 4, 599-611 (1996). ; _Citation.Title ; The Solution Structure of the First Zinc Finger Domain of SWI5: A Novel Extension to a Common Fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full Structure _Citation.Journal_volume 4 _Citation.Journal_issue 5 _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 599 _Citation.Page_last 611 _Citation.Year 1996 _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 Robert Dutnall . N. . 4024 1 2 David Neuhaus . . . 4024 1 3 Daniela Rhodes . . . 4024 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR structure' 4024 1 'protein-DNA recognition' 4024 1 'zinc finger' 4024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_SWI5ZF1 _Assembly.Sf_category assembly _Assembly.Sf_framecode SWI5ZF1 _Assembly.Entry_ID 4024 _Assembly.ID 1 _Assembly.Name 'The first zinc finger domain of SWI5' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'Fully oxidized' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4024 1 stop_ 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 'SWI5ZF1 peptide' 1 $SWI5ZF1_peptide . . . native . . . . . 4024 1 2 Zn2+ 2 $ZN . . . native . . . . . 4024 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 'metal coordination' single . 1 . 1 CYS 33 33 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4024 1 2 'metal coordination' single . 1 . 1 CYS 38 38 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4024 1 3 'metal coordination' single . 1 . 1 HIS 51 51 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4024 1 4 'metal coordination' single . 1 . 1 HIS 55 55 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 4024 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 33 33 HG . . . . 4024 1 2 . 1 1 CYS 38 38 HG . . . . 4024 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1NCS . 'Nmr Study Of Swi5 Zinc Finger Domain 1' . . . . 4024 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SWI5ZF1 abbreviation 4024 1 'The first zinc finger domain of SWI5' system 4024 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'C2-H2 zinc finger' 4024 1 'DNA binding' 4024 1 'transcription regulator' 4024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SWI5ZF1_peptide _Entity.Sf_category entity _Entity.Sf_framecode SWI5ZF1_peptide _Entity.Entry_ID 4024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'The first zinc finger domain of SWI5' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TNSPSKITRKLTTLPRGSID KYVKEMPDKTFECLFPGCTK TFKRRYNIRSHIQTHLEDR ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _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 6973 _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 1NCS . "Nmr Study Of Swi5 Zinc Finger Domain 1" . . . . . 79.66 47 100.00 100.00 4.99e-26 . . . . 4024 1 2 no DBJ GAA22378 . "K7_Swi5p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 709 100.00 100.00 4.47e-32 . . . . 4024 1 3 no EMBL CAA30040 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 100.00 709 100.00 100.00 4.47e-32 . . . . 4024 1 4 no EMBL CAA90369 . "Swi5p [Saccharomyces cerevisiae]" . . . . . 100.00 709 100.00 100.00 4.47e-32 . . . . 4024 1 5 no EMBL CAY78651 . "Swi5p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 709 100.00 100.00 4.38e-32 . . . . 4024 1 6 no GB AAU09695 . "YDR146C [Saccharomyces cerevisiae]" . . . . . 100.00 709 100.00 100.00 4.34e-32 . . . . 4024 1 7 no GB AHY75135 . "Swi5p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 709 100.00 100.00 4.47e-32 . . . . 4024 1 8 no GB AJP37864 . "Swi5p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 709 100.00 100.00 4.65e-32 . . . . 4024 1 9 no GB AJU57985 . "Swi5p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 709 100.00 100.00 4.38e-32 . . . . 4024 1 10 no GB AJU58680 . "Swi5p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 709 100.00 100.00 4.38e-32 . . . . 4024 1 11 no REF NP_010430 . "DNA-binding transcription factor SWI5 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 709 100.00 100.00 4.47e-32 . . . . 4024 1 12 no SP P08153 . "RecName: Full=Transcriptional factor SWI5" . . . . . 100.00 709 100.00 100.00 4.47e-32 . . . . 4024 1 13 no TPG DAA11989 . "TPA: DNA-binding transcription factor SWI5 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 709 100.00 100.00 4.47e-32 . . . . 4024 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding' 4024 1 'transcription regulator' 4024 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID m30F abbreviation 4024 1 'The first zinc finger domain of SWI5' common 4024 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 2 THR . 4024 1 2 3 ASN . 4024 1 3 4 SER . 4024 1 4 5 PRO . 4024 1 5 6 SER . 4024 1 6 7 LYS . 4024 1 7 8 ILE . 4024 1 8 9 THR . 4024 1 9 10 ARG . 4024 1 10 11 LYS . 4024 1 11 12 LEU . 4024 1 12 13 THR . 4024 1 13 14 THR . 4024 1 14 15 LEU . 4024 1 15 16 PRO . 4024 1 16 16 ARG . 4024 1 17 18 GLY . 4024 1 18 19 SER . 4024 1 19 20 ILE . 4024 1 20 21 ASP . 4024 1 21 22 LYS . 4024 1 22 23 TYR . 4024 1 23 24 VAL . 4024 1 24 25 LYS . 4024 1 25 26 GLU . 4024 1 26 27 MET . 4024 1 27 28 PRO . 4024 1 28 29 ASP . 4024 1 29 30 LYS . 4024 1 30 31 THR . 4024 1 31 32 PHE . 4024 1 32 33 GLU . 4024 1 33 34 CYS . 4024 1 34 35 LEU . 4024 1 35 36 PHE . 4024 1 36 37 PRO . 4024 1 37 38 GLY . 4024 1 38 39 CYS . 4024 1 39 40 THR . 4024 1 40 41 LYS . 4024 1 41 42 THR . 4024 1 42 43 PHE . 4024 1 43 44 LYS . 4024 1 44 45 ARG . 4024 1 45 46 ARG . 4024 1 46 47 TYR . 4024 1 47 48 ASN . 4024 1 48 49 ILE . 4024 1 49 50 ARG . 4024 1 50 51 SER . 4024 1 51 52 HIS . 4024 1 52 53 ILE . 4024 1 53 54 GLN . 4024 1 54 55 THR . 4024 1 55 56 HIS . 4024 1 56 57 LEU . 4024 1 57 58 GLU . 4024 1 58 59 ASP . 4024 1 59 60 ARG . 4024 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 . THR 1 1 4024 1 . ASN 2 2 4024 1 . SER 3 3 4024 1 . PRO 4 4 4024 1 . SER 5 5 4024 1 . LYS 6 6 4024 1 . ILE 7 7 4024 1 . THR 8 8 4024 1 . ARG 9 9 4024 1 . LYS 10 10 4024 1 . LEU 11 11 4024 1 . THR 12 12 4024 1 . THR 13 13 4024 1 . LEU 14 14 4024 1 . PRO 15 15 4024 1 . ARG 16 16 4024 1 . GLY 17 17 4024 1 . SER 18 18 4024 1 . ILE 19 19 4024 1 . ASP 20 20 4024 1 . LYS 21 21 4024 1 . TYR 22 22 4024 1 . VAL 23 23 4024 1 . LYS 24 24 4024 1 . GLU 25 25 4024 1 . MET 26 26 4024 1 . PRO 27 27 4024 1 . ASP 28 28 4024 1 . LYS 29 29 4024 1 . THR 30 30 4024 1 . PHE 31 31 4024 1 . GLU 32 32 4024 1 . CYS 33 33 4024 1 . LEU 34 34 4024 1 . PHE 35 35 4024 1 . PRO 36 36 4024 1 . GLY 37 37 4024 1 . CYS 38 38 4024 1 . THR 39 39 4024 1 . LYS 40 40 4024 1 . THR 41 41 4024 1 . PHE 42 42 4024 1 . LYS 43 43 4024 1 . ARG 44 44 4024 1 . ARG 45 45 4024 1 . TYR 46 46 4024 1 . ASN 47 47 4024 1 . ILE 48 48 4024 1 . ARG 49 49 4024 1 . SER 50 50 4024 1 . HIS 51 51 4024 1 . ILE 52 52 4024 1 . GLN 53 53 4024 1 . THR 54 54 4024 1 . HIS 55 55 4024 1 . LEU 56 56 4024 1 . GLU 57 57 4024 1 . ASP 58 58 4024 1 . ARG 59 59 4024 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 4024 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name zinc _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 . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _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_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID zinc common 4024 2 Zn2+ abbreviation 4024 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 . ZN . 4024 2 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 . ZN 1 1 4024 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 4024 _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 $SWI5ZF1_peptide . 4932 . . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4024 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 4024 _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 $SWI5ZF1_peptide . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . pET13a . . . synthetic . . 4024 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 4024 _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 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _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 4024 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 4024 ZN [Zn++] SMILES CACTVS 3.341 4024 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 4024 ZN [Zn+2] SMILES ACDLabs 10.04 4024 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 4024 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4024 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 4024 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4024 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 . 4024 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4024 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'The first zinc finger domain of SWI5' . . . 1 $SWI5ZF1_peptide . . 4 . . mM . . . . 4024 1 2 'sodium pyrophosphate buffer' . . . . . . . 40 . . mM . . . . 4024 1 3 'zinc sulphate' . . . . . . . 0.5 . . mM . . . . 4024 1 4 TSP . . . . . . . 0.1 . . mM . . . . 4024 1 5 D2O . . . . . . . 15 . . % . . . . 4024 1 6 H2O . . . . . . . 85 . . % . . . . 4024 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4024 _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 pH 6.5 . na 4024 1 temperature 283 . K 4024 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4024 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_one 1 $SWI5ZF1_peptide 98 % 'SDS gel electrophoresis' . 4024 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4024 _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 NMR_spectrometer_one Bruker AMX . 600 . . . 4024 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 4024 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4024 _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 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4024 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4024 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4024 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 1 1 THR HA H 1 3.93 0.05 . 1 . . . . . . . . 4024 1 2 . 1 1 1 1 THR HB H 1 4.19 0.05 . 1 . . . . . . . . 4024 1 3 . 1 1 1 1 THR HG21 H 1 1.33 0.05 . 1 . . . . . . . . 4024 1 4 . 1 1 1 1 THR HG22 H 1 1.33 0.05 . 1 . . . . . . . . 4024 1 5 . 1 1 1 1 THR HG23 H 1 1.33 0.05 . 1 . . . . . . . . 4024 1 6 . 1 1 2 2 ASN HA H 1 4.83 0.05 . 1 . . . . . . . . 4024 1 7 . 1 1 2 2 ASN HB2 H 1 2.79 0.05 . 2 . . . . . . . . 4024 1 8 . 1 1 2 2 ASN HB3 H 1 2.87 0.05 . 2 . . . . . . . . 4024 1 9 . 1 1 2 2 ASN HD21 H 1 7.07 0.05 . 2 . . . . . . . . 4024 1 10 . 1 1 2 2 ASN HD22 H 1 7.8 0.05 . 2 . . . . . . . . 4024 1 11 . 1 1 3 3 SER H H 1 8.63 0.05 . 1 . . . . . . . . 4024 1 12 . 1 1 3 3 SER HA H 1 4.77 0.05 . 1 . . . . . . . . 4024 1 13 . 1 1 3 3 SER HB2 H 1 3.82 0.05 . 1 . . . . . . . . 4024 1 14 . 1 1 3 3 SER HB3 H 1 3.82 0.05 . 1 . . . . . . . . 4024 1 15 . 1 1 4 4 PRO HA H 1 4.48 0.05 . 1 . . . . . . . . 4024 1 16 . 1 1 4 4 PRO HB2 H 1 1.96 0.05 . 2 . . . . . . . . 4024 1 17 . 1 1 4 4 PRO HB3 H 1 2.34 0.05 . 2 . . . . . . . . 4024 1 18 . 1 1 4 4 PRO HG2 H 1 2.05 0.05 . 1 . . . . . . . . 4024 1 19 . 1 1 4 4 PRO HG3 H 1 2.05 0.05 . 1 . . . . . . . . 4024 1 20 . 1 1 4 4 PRO HD2 H 1 3.76 0.05 . 2 . . . . . . . . 4024 1 21 . 1 1 4 4 PRO HD3 H 1 3.85 0.05 . 2 . . . . . . . . 4024 1 22 . 1 1 5 5 SER H H 1 8.49 0.05 . 1 . . . . . . . . 4024 1 23 . 1 1 5 5 SER HA H 1 4.41 0.05 . 1 . . . . . . . . 4024 1 24 . 1 1 5 5 SER HB2 H 1 3.88 0.05 . 1 . . . . . . . . 4024 1 25 . 1 1 5 5 SER HB3 H 1 3.88 0.05 . 1 . . . . . . . . 4024 1 26 . 1 1 6 6 LYS H H 1 8.44 0.05 . 1 . . . . . . . . 4024 1 27 . 1 1 6 6 LYS HA H 1 4.34 0.05 . 1 . . . . . . . . 4024 1 28 . 1 1 6 6 LYS HB2 H 1 1.79 0.05 . 2 . . . . . . . . 4024 1 29 . 1 1 6 6 LYS HB3 H 1 1.87 0.05 . 2 . . . . . . . . 4024 1 30 . 1 1 6 6 LYS HG2 H 1 1.43 0.05 . 1 . . . . . . . . 4024 1 31 . 1 1 6 6 LYS HG3 H 1 1.43 0.05 . 1 . . . . . . . . 4024 1 32 . 1 1 6 6 LYS HD2 H 1 1.7 0.05 . 1 . . . . . . . . 4024 1 33 . 1 1 6 6 LYS HD3 H 1 1.7 0.05 . 1 . . . . . . . . 4024 1 34 . 1 1 6 6 LYS HE2 H 1 3.00 0.05 . 1 . . . . . . . . 4024 1 35 . 1 1 6 6 LYS HE3 H 1 3.00 0.05 . 1 . . . . . . . . 4024 1 36 . 1 1 7 7 ILE H H 1 8.3 0.05 . 1 . . . . . . . . 4024 1 37 . 1 1 7 7 ILE HA H 1 4.2 0.05 . 1 . . . . . . . . 4024 1 38 . 1 1 7 7 ILE HB H 1 1.88 0.05 . 1 . . . . . . . . 4024 1 39 . 1 1 7 7 ILE HG12 H 1 1.23 0.05 . 2 . . . . . . . . 4024 1 40 . 1 1 7 7 ILE HG13 H 1 1.51 0.05 . 2 . . . . . . . . 4024 1 41 . 1 1 7 7 ILE HG21 H 1 0.91 0.05 . 1 . . . . . . . . 4024 1 42 . 1 1 7 7 ILE HG22 H 1 0.91 0.05 . 1 . . . . . . . . 4024 1 43 . 1 1 7 7 ILE HG23 H 1 0.91 0.05 . 1 . . . . . . . . 4024 1 44 . 1 1 7 7 ILE HD11 H 1 0.87 0.05 . 1 . . . . . . . . 4024 1 45 . 1 1 7 7 ILE HD12 H 1 0.87 0.05 . 1 . . . . . . . . 4024 1 46 . 1 1 7 7 ILE HD13 H 1 0.87 0.05 . 1 . . . . . . . . 4024 1 47 . 1 1 8 8 THR H H 1 8.36 0.05 . 1 . . . . . . . . 4024 1 48 . 1 1 8 8 THR HA H 1 4.33 0.05 . 1 . . . . . . . . 4024 1 49 . 1 1 8 8 THR HB H 1 4.19 0.05 . 1 . . . . . . . . 4024 1 50 . 1 1 8 8 THR HG21 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 51 . 1 1 8 8 THR HG22 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 52 . 1 1 8 8 THR HG23 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 53 . 1 1 9 9 ARG H H 1 8.47 0.05 . 1 . . . . . . . . 4024 1 54 . 1 1 9 9 ARG HA H 1 4.34 0.05 . 2 . . . . . . . . 4024 1 55 . 1 1 9 9 ARG HB2 H 1 1.77 0.05 . 2 . . . . . . . . 4024 1 56 . 1 1 9 9 ARG HB3 H 1 1.85 0.05 . 2 . . . . . . . . 4024 1 57 . 1 1 9 9 ARG HG2 H 1 1.66 0.05 . 1 . . . . . . . . 4024 1 58 . 1 1 9 9 ARG HG3 H 1 1.66 0.05 . 1 . . . . . . . . 4024 1 59 . 1 1 9 9 ARG HD2 H 1 3.19 0.05 . 1 . . . . . . . . 4024 1 60 . 1 1 9 9 ARG HD3 H 1 3.19 0.05 . 1 . . . . . . . . 4024 1 61 . 1 1 9 9 ARG HE H 1 7.34 0.05 . 1 . . . . . . . . 4024 1 62 . 1 1 10 10 LYS H H 1 8.51 0.05 . 1 . . . . . . . . 4024 1 63 . 1 1 10 10 LYS HA H 1 4.3 0.05 . 1 . . . . . . . . 4024 1 64 . 1 1 10 10 LYS HB2 H 1 1.76 0.05 . 2 . . . . . . . . 4024 1 65 . 1 1 10 10 LYS HB3 H 1 1.82 0.05 . 2 . . . . . . . . 4024 1 66 . 1 1 10 10 LYS HG2 H 1 1.44 0.05 . 1 . . . . . . . . 4024 1 67 . 1 1 10 10 LYS HG3 H 1 1.44 0.05 . 1 . . . . . . . . 4024 1 68 . 1 1 10 10 LYS HD2 H 1 1.7 0.05 . 1 . . . . . . . . 4024 1 69 . 1 1 10 10 LYS HD3 H 1 1.7 0.05 . 1 . . . . . . . . 4024 1 70 . 1 1 10 10 LYS HE2 H 1 2.99 0.05 . 1 . . . . . . . . 4024 1 71 . 1 1 10 10 LYS HE3 H 1 2.99 0.05 . 1 . . . . . . . . 4024 1 72 . 1 1 11 11 LEU H H 1 8.5 0.05 . 1 . . . . . . . . 4024 1 73 . 1 1 11 11 LEU HA H 1 4.43 0.05 . 1 . . . . . . . . 4024 1 74 . 1 1 11 11 LEU HB2 H 1 1.72 0.05 . 1 . . . . . . . . 4024 1 75 . 1 1 11 11 LEU HB3 H 1 1.61 0.05 . 1 . . . . . . . . 4024 1 76 . 1 1 11 11 LEU HG H 1 1.61 0.05 . 1 . . . . . . . . 4024 1 77 . 1 1 11 11 LEU HD11 H 1 0.88 0.05 . 2 . . . . . . . . 4024 1 78 . 1 1 11 11 LEU HD12 H 1 0.88 0.05 . 2 . . . . . . . . 4024 1 79 . 1 1 11 11 LEU HD13 H 1 0.88 0.05 . 2 . . . . . . . . 4024 1 80 . 1 1 11 11 LEU HD21 H 1 0.94 0.05 . 2 . . . . . . . . 4024 1 81 . 1 1 11 11 LEU HD22 H 1 0.94 0.05 . 2 . . . . . . . . 4024 1 82 . 1 1 11 11 LEU HD23 H 1 0.94 0.05 . 2 . . . . . . . . 4024 1 83 . 1 1 12 12 THR H H 1 8.31 0.05 . 1 . . . . . . . . 4024 1 84 . 1 1 12 12 THR HA H 1 4.42 0.05 . 1 . . . . . . . . 4024 1 85 . 1 1 12 12 THR HB H 1 4.25 0.05 . 1 . . . . . . . . 4024 1 86 . 1 1 12 12 THR HG21 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 87 . 1 1 12 12 THR HG22 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 88 . 1 1 12 12 THR HG23 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 89 . 1 1 13 13 THR H H 1 8.2 0.05 . 1 . . . . . . . . 4024 1 90 . 1 1 13 13 THR HA H 1 4.39 0.05 . 1 . . . . . . . . 4024 1 91 . 1 1 13 13 THR HB H 1 4.2 0.05 . 1 . . . . . . . . 4024 1 92 . 1 1 13 13 THR HG21 H 1 1.2 0.05 . 1 . . . . . . . . 4024 1 93 . 1 1 13 13 THR HG22 H 1 1.2 0.05 . 1 . . . . . . . . 4024 1 94 . 1 1 13 13 THR HG23 H 1 1.2 0.05 . 1 . . . . . . . . 4024 1 95 . 1 1 14 14 LEU H H 1 8.39 0.05 . 1 . . . . . . . . 4024 1 96 . 1 1 14 14 LEU HA H 1 4.63 0.05 . 1 . . . . . . . . 4024 1 97 . 1 1 14 14 LEU HB2 H 1 1.61 0.05 . 2 . . . . . . . . 4024 1 98 . 1 1 14 14 LEU HB3 H 1 1.54 0.05 . 2 . . . . . . . . 4024 1 99 . 1 1 14 14 LEU HG H 1 1.7 0.05 . 1 . . . . . . . . 4024 1 100 . 1 1 14 14 LEU HD11 H 1 0.93 0.05 . 1 . . . . . . . . 4024 1 101 . 1 1 14 14 LEU HD12 H 1 0.93 0.05 . 1 . . . . . . . . 4024 1 102 . 1 1 14 14 LEU HD13 H 1 0.93 0.05 . 1 . . . . . . . . 4024 1 103 . 1 1 14 14 LEU HD21 H 1 0.93 0.05 . 1 . . . . . . . . 4024 1 104 . 1 1 14 14 LEU HD22 H 1 0.93 0.05 . 1 . . . . . . . . 4024 1 105 . 1 1 14 14 LEU HD23 H 1 0.93 0.05 . 1 . . . . . . . . 4024 1 106 . 1 1 15 15 PRO HA H 1 4.45 0.05 . 1 . . . . . . . . 4024 1 107 . 1 1 15 15 PRO HB2 H 1 1.94 0.05 . 2 . . . . . . . . 4024 1 108 . 1 1 15 15 PRO HB3 H 1 2.37 0.05 . 2 . . . . . . . . 4024 1 109 . 1 1 15 15 PRO HG2 H 1 2.04 0.05 . 1 . . . . . . . . 4024 1 110 . 1 1 15 15 PRO HG3 H 1 2.04 0.05 . 1 . . . . . . . . 4024 1 111 . 1 1 15 15 PRO HD2 H 1 3.63 0.05 . 1 . . . . . . . . 4024 1 112 . 1 1 15 15 PRO HD3 H 1 3.63 0.05 . 1 . . . . . . . . 4024 1 113 . 1 1 16 16 ARG H H 1 8.87 0.05 . 1 . . . . . . . . 4024 1 114 . 1 1 16 16 ARG HA H 1 4.17 0.05 . 1 . . . . . . . . 4024 1 115 . 1 1 16 16 ARG HB2 H 1 1.86 0.05 . 1 . . . . . . . . 4024 1 116 . 1 1 16 16 ARG HB3 H 1 1.86 0.05 . 1 . . . . . . . . 4024 1 117 . 1 1 16 16 ARG HG2 H 1 1.71 0.05 . 1 . . . . . . . . 4024 1 118 . 1 1 16 16 ARG HG3 H 1 1.71 0.05 . 1 . . . . . . . . 4024 1 119 . 1 1 16 16 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . 4024 1 120 . 1 1 16 16 ARG HD3 H 1 3.21 0.05 . 1 . . . . . . . . 4024 1 121 . 1 1 16 16 ARG HE H 1 7.5 0.05 . 1 . . . . . . . . 4024 1 122 . 1 1 17 17 GLY H H 1 8.95 0.05 . 1 . . . . . . . . 4024 1 123 . 1 1 17 17 GLY HA2 H 1 3.94 0.05 . 2 . . . . . . . . 4024 1 124 . 1 1 17 17 GLY HA3 H 1 4.03 0.05 . 2 . . . . . . . . 4024 1 125 . 1 1 18 18 SER H H 1 8.06 0.05 . 1 . . . . . . . . 4024 1 126 . 1 1 18 18 SER HA H 1 4.32 0.05 . 1 . . . . . . . . 4024 1 127 . 1 1 18 18 SER HB2 H 1 3.98 0.05 . 1 . . . . . . . . 4024 1 128 . 1 1 18 18 SER HB3 H 1 3.98 0.05 . 1 . . . . . . . . 4024 1 129 . 1 1 19 19 ILE H H 1 7.69 0.05 . 1 . . . . . . . . 4024 1 130 . 1 1 19 19 ILE HA H 1 4.1 0.05 . 1 . . . . . . . . 4024 1 131 . 1 1 19 19 ILE HB H 1 1.96 0.05 . 1 . . . . . . . . 4024 1 132 . 1 1 19 19 ILE HG12 H 1 1.09 0.05 . 2 . . . . . . . . 4024 1 133 . 1 1 19 19 ILE HG13 H 1 1.57 0.05 . 2 . . . . . . . . 4024 1 134 . 1 1 19 19 ILE HG21 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 135 . 1 1 19 19 ILE HG22 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 136 . 1 1 19 19 ILE HG23 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 137 . 1 1 19 19 ILE HD11 H 1 0.83 0.05 . 1 . . . . . . . . 4024 1 138 . 1 1 19 19 ILE HD12 H 1 0.83 0.05 . 1 . . . . . . . . 4024 1 139 . 1 1 19 19 ILE HD13 H 1 0.83 0.05 . 1 . . . . . . . . 4024 1 140 . 1 1 20 20 ASP H H 1 8.2 0.05 . 1 . . . . . . . . 4024 1 141 . 1 1 20 20 ASP HA H 1 4.4 0.05 . 1 . . . . . . . . 4024 1 142 . 1 1 20 20 ASP HB2 H 1 2.73 0.05 . 1 . . . . . . . . 4024 1 143 . 1 1 20 20 ASP HB3 H 1 2.54 0.05 . 1 . . . . . . . . 4024 1 144 . 1 1 21 21 LYS H H 1 7.48 0.05 . 1 . . . . . . . . 4024 1 145 . 1 1 21 21 LYS HA H 1 4.07 0.05 . 1 . . . . . . . . 4024 1 146 . 1 1 21 21 LYS HB2 H 1 1.46 0.05 . 2 . . . . . . . . 4024 1 147 . 1 1 21 21 LYS HB3 H 1 1.7 0.05 . 2 . . . . . . . . 4024 1 148 . 1 1 21 21 LYS HG2 H 1 0.59 0.05 . 2 . . . . . . . . 4024 1 149 . 1 1 21 21 LYS HG3 H 1 0.9 0.05 . 2 . . . . . . . . 4024 1 150 . 1 1 21 21 LYS HD2 H 1 1.46 0.05 . 1 . . . . . . . . 4024 1 151 . 1 1 21 21 LYS HD3 H 1 1.46 0.05 . 1 . . . . . . . . 4024 1 152 . 1 1 21 21 LYS HE2 H 1 2.77 0.05 . 1 . . . . . . . . 4024 1 153 . 1 1 21 21 LYS HE3 H 1 2.77 0.05 . 1 . . . . . . . . 4024 1 154 . 1 1 22 22 TYR H H 1 7.97 0.05 . 1 . . . . . . . . 4024 1 155 . 1 1 22 22 TYR HA H 1 4.88 0.05 . 1 . . . . . . . . 4024 1 156 . 1 1 22 22 TYR HB2 H 1 3.05 0.05 . 1 . . . . . . . . 4024 1 157 . 1 1 22 22 TYR HB3 H 1 3.84 0.05 . 1 . . . . . . . . 4024 1 158 . 1 1 22 22 TYR HD1 H 1 7.11 0.05 . 1 . . . . . . . . 4024 1 159 . 1 1 22 22 TYR HD2 H 1 7.11 0.05 . 1 . . . . . . . . 4024 1 160 . 1 1 22 22 TYR HE1 H 1 6.91 0.05 . 1 . . . . . . . . 4024 1 161 . 1 1 22 22 TYR HE2 H 1 6.91 0.05 . 1 . . . . . . . . 4024 1 162 . 1 1 23 23 VAL H H 1 7.56 0.05 . 1 . . . . . . . . 4024 1 163 . 1 1 23 23 VAL HA H 1 4.24 0.05 . 1 . . . . . . . . 4024 1 164 . 1 1 23 23 VAL HB H 1 2.37 0.05 . 1 . . . . . . . . 4024 1 165 . 1 1 23 23 VAL HG11 H 1 0.97 0.05 . 2 . . . . . . . . 4024 1 166 . 1 1 23 23 VAL HG12 H 1 0.97 0.05 . 2 . . . . . . . . 4024 1 167 . 1 1 23 23 VAL HG13 H 1 0.97 0.05 . 2 . . . . . . . . 4024 1 168 . 1 1 23 23 VAL HG21 H 1 1.01 0.05 . 2 . . . . . . . . 4024 1 169 . 1 1 23 23 VAL HG22 H 1 1.01 0.05 . 2 . . . . . . . . 4024 1 170 . 1 1 23 23 VAL HG23 H 1 1.01 0.05 . 2 . . . . . . . . 4024 1 171 . 1 1 24 24 LYS H H 1 8.87 0.05 . 1 . . . . . . . . 4024 1 172 . 1 1 24 24 LYS HA H 1 4.84 0.05 . 1 . . . . . . . . 4024 1 173 . 1 1 24 24 LYS HB2 H 1 1.98 0.05 . 2 . . . . . . . . 4024 1 174 . 1 1 24 24 LYS HB3 H 1 2.13 0.05 . 2 . . . . . . . . 4024 1 175 . 1 1 24 24 LYS HG2 H 1 1.7 0.05 . 2 . . . . . . . . 4024 1 176 . 1 1 24 24 LYS HG3 H 1 1.77 0.05 . 2 . . . . . . . . 4024 1 177 . 1 1 24 24 LYS HD2 H 1 1.27 0.05 . 2 . . . . . . . . 4024 1 178 . 1 1 24 24 LYS HD3 H 1 1.41 0.05 . 2 . . . . . . . . 4024 1 179 . 1 1 24 24 LYS HE2 H 1 3.00 0.05 . 1 . . . . . . . . 4024 1 180 . 1 1 24 24 LYS HE3 H 1 3.00 0.05 . 1 . . . . . . . . 4024 1 181 . 1 1 25 25 GLU H H 1 9.1 0.05 . 1 . . . . . . . . 4024 1 182 . 1 1 25 25 GLU HA H 1 4.4 0.05 . 1 . . . . . . . . 4024 1 183 . 1 1 25 25 GLU HB2 H 1 1.985 0.05 . 1 . . . . . . . . 4024 1 184 . 1 1 25 25 GLU HB3 H 1 1.985 0.05 . 1 . . . . . . . . 4024 1 185 . 1 1 25 25 GLU HG2 H 1 2.22 0.05 . 1 . . . . . . . . 4024 1 186 . 1 1 25 25 GLU HG3 H 1 2.22 0.05 . 1 . . . . . . . . 4024 1 187 . 1 1 26 26 MET H H 1 8.66 0.05 . 1 . . . . . . . . 4024 1 188 . 1 1 26 26 MET HA H 1 5.03 0.05 . 1 . . . . . . . . 4024 1 189 . 1 1 26 26 MET HB2 H 1 1.975 0.05 . 1 . . . . . . . . 4024 1 190 . 1 1 26 26 MET HB3 H 1 1.975 0.05 . 1 . . . . . . . . 4024 1 191 . 1 1 26 26 MET HG2 H 1 2.235 0.05 . 1 . . . . . . . . 4024 1 192 . 1 1 26 26 MET HG3 H 1 2.235 0.05 . 1 . . . . . . . . 4024 1 193 . 1 1 26 26 MET HE1 H 1 2.01 0.05 . 1 . . . . . . . . 4024 1 194 . 1 1 26 26 MET HE2 H 1 2.01 0.05 . 1 . . . . . . . . 4024 1 195 . 1 1 26 26 MET HE3 H 1 2.01 0.05 . 1 . . . . . . . . 4024 1 196 . 1 1 27 27 PRO HA H 1 4.37 0.05 . 1 . . . . . . . . 4024 1 197 . 1 1 27 27 PRO HB2 H 1 2.43 0.05 . 2 . . . . . . . . 4024 1 198 . 1 1 27 27 PRO HB3 H 1 2.55 0.05 . 2 . . . . . . . . 4024 1 199 . 1 1 27 27 PRO HG2 H 1 2.91 0.05 . 1 . . . . . . . . 4024 1 200 . 1 1 27 27 PRO HG3 H 1 2.91 0.05 . 1 . . . . . . . . 4024 1 201 . 1 1 27 27 PRO HD2 H 1 3.83 0.05 . 2 . . . . . . . . 4024 1 202 . 1 1 27 27 PRO HD3 H 1 3.93 0.05 . 2 . . . . . . . . 4024 1 203 . 1 1 28 28 ASP H H 1 7.56 0.05 . 1 . . . . . . . . 4024 1 204 . 1 1 28 28 ASP HA H 1 4.5 0.05 . 1 . . . . . . . . 4024 1 205 . 1 1 28 28 ASP HB2 H 1 2.51 0.05 . 1 . . . . . . . . 4024 1 206 . 1 1 28 28 ASP HB3 H 1 3.03 0.05 . 1 . . . . . . . . 4024 1 207 . 1 1 29 29 LYS H H 1 8.16 0.05 . 1 . . . . . . . . 4024 1 208 . 1 1 29 29 LYS HA H 1 3.74 0.05 . 1 . . . . . . . . 4024 1 209 . 1 1 29 29 LYS HB2 H 1 2.03 0.05 . 1 . . . . . . . . 4024 1 210 . 1 1 29 29 LYS HB3 H 1 2.23 0.05 . 1 . . . . . . . . 4024 1 211 . 1 1 29 29 LYS HG2 H 1 1.395 0.05 . 1 . . . . . . . . 4024 1 212 . 1 1 29 29 LYS HG3 H 1 1.395 0.05 . 1 . . . . . . . . 4024 1 213 . 1 1 29 29 LYS HD2 H 1 1.71 0.05 . 1 . . . . . . . . 4024 1 214 . 1 1 29 29 LYS HD3 H 1 1.71 0.05 . 1 . . . . . . . . 4024 1 215 . 1 1 29 29 LYS HE2 H 1 3.06 0.05 . 1 . . . . . . . . 4024 1 216 . 1 1 29 29 LYS HE3 H 1 3.06 0.05 . 1 . . . . . . . . 4024 1 217 . 1 1 30 30 THR H H 1 7.16 0.05 . 1 . . . . . . . . 4024 1 218 . 1 1 30 30 THR HA H 1 4.51 0.05 . 1 . . . . . . . . 4024 1 219 . 1 1 30 30 THR HB H 1 4.37 0.05 . 1 . . . . . . . . 4024 1 220 . 1 1 30 30 THR HG21 H 1 1.14 0.05 . 1 . . . . . . . . 4024 1 221 . 1 1 30 30 THR HG22 H 1 1.14 0.05 . 1 . . . . . . . . 4024 1 222 . 1 1 30 30 THR HG23 H 1 1.14 0.05 . 1 . . . . . . . . 4024 1 223 . 1 1 31 31 PHE H H 1 8.99 0.05 . 1 . . . . . . . . 4024 1 224 . 1 1 31 31 PHE HA H 1 5.65 0.05 . 1 . . . . . . . . 4024 1 225 . 1 1 31 31 PHE HB2 H 1 2.69 0.05 . 1 . . . . . . . . 4024 1 226 . 1 1 31 31 PHE HB3 H 1 3.05 0.05 . 1 . . . . . . . . 4024 1 227 . 1 1 31 31 PHE HD1 H 1 7.3 0.05 . 1 . . . . . . . . 4024 1 228 . 1 1 31 31 PHE HD2 H 1 7.3 0.05 . 1 . . . . . . . . 4024 1 229 . 1 1 31 31 PHE HE1 H 1 7.3 0.05 . 1 . . . . . . . . 4024 1 230 . 1 1 31 31 PHE HE2 H 1 7.3 0.05 . 1 . . . . . . . . 4024 1 231 . 1 1 31 31 PHE HZ H 1 6.86 0.05 . 1 . . . . . . . . 4024 1 232 . 1 1 32 32 GLU H H 1 9.59 0.05 . 1 . . . . . . . . 4024 1 233 . 1 1 32 32 GLU HA H 1 4.94 0.05 . 1 . . . . . . . . 4024 1 234 . 1 1 32 32 GLU HB2 H 1 1.99 0.05 . 2 . . . . . . . . 4024 1 235 . 1 1 32 32 GLU HB3 H 1 2.12 0.05 . 2 . . . . . . . . 4024 1 236 . 1 1 32 32 GLU HG2 H 1 2.23 0.05 . 2 . . . . . . . . 4024 1 237 . 1 1 32 32 GLU HG3 H 1 2.36 0.05 . 2 . . . . . . . . 4024 1 238 . 1 1 33 33 CYS H H 1 7.93 0.05 . 1 . . . . . . . . 4024 1 239 . 1 1 33 33 CYS HA H 1 4.94 0.05 . 1 . . . . . . . . 4024 1 240 . 1 1 33 33 CYS HB2 H 1 2.89 0.05 . 1 . . . . . . . . 4024 1 241 . 1 1 33 33 CYS HB3 H 1 3.49 0.05 . 1 . . . . . . . . 4024 1 242 . 1 1 34 34 LEU H H 1 9.42 0.05 . 1 . . . . . . . . 4024 1 243 . 1 1 34 34 LEU HA H 1 4.75 0.05 . 1 . . . . . . . . 4024 1 244 . 1 1 34 34 LEU HB2 H 1 1.78 0.05 . 1 . . . . . . . . 4024 1 245 . 1 1 34 34 LEU HB3 H 1 2.02 0.05 . 1 . . . . . . . . 4024 1 246 . 1 1 34 34 LEU HG H 1 1.72 0.05 . 1 . . . . . . . . 4024 1 247 . 1 1 34 34 LEU HD11 H 1 0.92 0.05 . 1 . . . . . . . . 4024 1 248 . 1 1 34 34 LEU HD12 H 1 0.92 0.05 . 1 . . . . . . . . 4024 1 249 . 1 1 34 34 LEU HD13 H 1 0.92 0.05 . 1 . . . . . . . . 4024 1 250 . 1 1 34 34 LEU HD21 H 1 0.92 0.05 . 1 . . . . . . . . 4024 1 251 . 1 1 34 34 LEU HD22 H 1 0.92 0.05 . 1 . . . . . . . . 4024 1 252 . 1 1 34 34 LEU HD23 H 1 0.92 0.05 . 1 . . . . . . . . 4024 1 253 . 1 1 35 35 PHE H H 1 9.79 0.05 . 1 . . . . . . . . 4024 1 254 . 1 1 35 35 PHE HA H 1 4.00 0.05 . 1 . . . . . . . . 4024 1 255 . 1 1 35 35 PHE HB2 H 1 2.16 0.05 . 2 . . . . . . . . 4024 1 256 . 1 1 35 35 PHE HB3 H 1 2.21 0.05 . 2 . . . . . . . . 4024 1 257 . 1 1 35 35 PHE HD1 H 1 6.02 0.05 . 1 . . . . . . . . 4024 1 258 . 1 1 35 35 PHE HD2 H 1 6.02 0.05 . 1 . . . . . . . . 4024 1 259 . 1 1 35 35 PHE HE1 H 1 7.04 0.05 . 1 . . . . . . . . 4024 1 260 . 1 1 35 35 PHE HE2 H 1 7.04 0.05 . 1 . . . . . . . . 4024 1 261 . 1 1 35 35 PHE HZ H 1 7.16 0.05 . 1 . . . . . . . . 4024 1 262 . 1 1 36 36 PRO HA H 1 4.09 0.05 . 1 . . . . . . . . 4024 1 263 . 1 1 36 36 PRO HB2 H 1 1.61 0.05 . 2 . . . . . . . . 4024 1 264 . 1 1 36 36 PRO HB3 H 1 2.07 0.05 . 2 . . . . . . . . 4024 1 265 . 1 1 36 36 PRO HG2 H 1 1.74 0.05 . 1 . . . . . . . . 4024 1 266 . 1 1 36 36 PRO HG3 H 1 1.74 0.05 . 1 . . . . . . . . 4024 1 267 . 1 1 36 36 PRO HD2 H 1 3.28 0.05 . 1 . . . . . . . . 4024 1 268 . 1 1 36 36 PRO HD3 H 1 3.28 0.05 . 1 . . . . . . . . 4024 1 269 . 1 1 37 37 GLY H H 1 8.89 0.05 . 1 . . . . . . . . 4024 1 270 . 1 1 37 37 GLY HA2 H 1 3.7 0.05 . 2 . . . . . . . . 4024 1 271 . 1 1 37 37 GLY HA3 H 1 4.24 0.05 . 2 . . . . . . . . 4024 1 272 . 1 1 38 38 CYS H H 1 8.43 0.05 . 1 . . . . . . . . 4024 1 273 . 1 1 38 38 CYS HA H 1 4.65 0.05 . 1 . . . . . . . . 4024 1 274 . 1 1 38 38 CYS HB2 H 1 2.87 0.05 . 1 . . . . . . . . 4024 1 275 . 1 1 38 38 CYS HB3 H 1 3.39 0.05 . 1 . . . . . . . . 4024 1 276 . 1 1 39 39 THR H H 1 8.5 0.05 . 1 . . . . . . . . 4024 1 277 . 1 1 39 39 THR HA H 1 4.92 0.05 . 1 . . . . . . . . 4024 1 278 . 1 1 39 39 THR HB H 1 4.65 0.05 . 1 . . . . . . . . 4024 1 279 . 1 1 39 39 THR HG21 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 280 . 1 1 39 39 THR HG22 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 281 . 1 1 39 39 THR HG23 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 282 . 1 1 40 40 LYS H H 1 8.83 0.05 . 1 . . . . . . . . 4024 1 283 . 1 1 40 40 LYS HA H 1 4.21 0.05 . 1 . . . . . . . . 4024 1 284 . 1 1 40 40 LYS HB2 H 1 1.36 0.05 . 2 . . . . . . . . 4024 1 285 . 1 1 40 40 LYS HB3 H 1 1.64 0.05 . 2 . . . . . . . . 4024 1 286 . 1 1 40 40 LYS HG2 H 1 1.485 0.05 . 1 . . . . . . . . 4024 1 287 . 1 1 40 40 LYS HG3 H 1 1.485 0.05 . 1 . . . . . . . . 4024 1 288 . 1 1 40 40 LYS HD2 H 1 1.485 0.05 . 1 . . . . . . . . 4024 1 289 . 1 1 40 40 LYS HD3 H 1 1.485 0.05 . 1 . . . . . . . . 4024 1 290 . 1 1 40 40 LYS HE2 H 1 2.96 0.05 . 1 . . . . . . . . 4024 1 291 . 1 1 40 40 LYS HE3 H 1 2.96 0.05 . 1 . . . . . . . . 4024 1 292 . 1 1 41 41 THR H H 1 7.68 0.05 . 1 . . . . . . . . 4024 1 293 . 1 1 41 41 THR HA H 1 5.19 0.05 . 1 . . . . . . . . 4024 1 294 . 1 1 41 41 THR HB H 1 4.21 0.05 . 1 . . . . . . . . 4024 1 295 . 1 1 41 41 THR HG21 H 1 1.23 0.05 . 1 . . . . . . . . 4024 1 296 . 1 1 41 41 THR HG22 H 1 1.23 0.05 . 1 . . . . . . . . 4024 1 297 . 1 1 41 41 THR HG23 H 1 1.23 0.05 . 1 . . . . . . . . 4024 1 298 . 1 1 42 42 PHE H H 1 9.07 0.05 . 1 . . . . . . . . 4024 1 299 . 1 1 42 42 PHE HA H 1 4.87 0.05 . 1 . . . . . . . . 4024 1 300 . 1 1 42 42 PHE HB2 H 1 2.51 0.05 . 1 . . . . . . . . 4024 1 301 . 1 1 42 42 PHE HB3 H 1 3.49 0.05 . 1 . . . . . . . . 4024 1 302 . 1 1 42 42 PHE HD1 H 1 7.14 0.05 . 1 . . . . . . . . 4024 1 303 . 1 1 42 42 PHE HD2 H 1 7.14 0.05 . 1 . . . . . . . . 4024 1 304 . 1 1 42 42 PHE HE1 H 1 6.87 0.05 . 1 . . . . . . . . 4024 1 305 . 1 1 42 42 PHE HE2 H 1 6.87 0.05 . 1 . . . . . . . . 4024 1 306 . 1 1 42 42 PHE HZ H 1 6.21 0.05 . 1 . . . . . . . . 4024 1 307 . 1 1 43 43 LYS H H 1 9.36 0.05 . 1 . . . . . . . . 4024 1 308 . 1 1 43 43 LYS HA H 1 4.6 0.05 . 1 . . . . . . . . 4024 1 309 . 1 1 43 43 LYS HB2 H 1 2.00 0.05 . 2 . . . . . . . . 4024 1 310 . 1 1 43 43 LYS HB3 H 1 2.09 0.05 . 2 . . . . . . . . 4024 1 311 . 1 1 43 43 LYS HG2 H 1 1.54 0.05 . 2 . . . . . . . . 4024 1 312 . 1 1 43 43 LYS HG3 H 1 1.65 0.05 . 2 . . . . . . . . 4024 1 313 . 1 1 43 43 LYS HD2 H 1 1.78 0.05 . 1 . . . . . . . . 4024 1 314 . 1 1 43 43 LYS HD3 H 1 1.78 0.05 . 1 . . . . . . . . 4024 1 315 . 1 1 43 43 LYS HE2 H 1 3.06 0.05 . 1 . . . . . . . . 4024 1 316 . 1 1 43 43 LYS HE3 H 1 3.06 0.05 . 1 . . . . . . . . 4024 1 317 . 1 1 44 44 ARG H H 1 7.98 0.05 . 1 . . . . . . . . 4024 1 318 . 1 1 45 45 ARG H H 1 9.42 0.05 . 1 . . . . . . . . 4024 1 319 . 1 1 45 45 ARG HA H 1 5.03 0.05 . 1 . . . . . . . . 4024 1 320 . 1 1 45 45 ARG HB2 H 1 1.79 0.05 . 1 . . . . . . . . 4024 1 321 . 1 1 45 45 ARG HB3 H 1 1.79 0.05 . 1 . . . . . . . . 4024 1 322 . 1 1 45 45 ARG HG2 H 1 1.74 0.05 . 1 . . . . . . . . 4024 1 323 . 1 1 45 45 ARG HG3 H 1 1.74 0.05 . 1 . . . . . . . . 4024 1 324 . 1 1 45 45 ARG HD2 H 1 3.34 0.05 . 1 . . . . . . . . 4024 1 325 . 1 1 45 45 ARG HD3 H 1 3.34 0.05 . 1 . . . . . . . . 4024 1 326 . 1 1 46 46 TYR H H 1 8.52 0.05 . 1 . . . . . . . . 4024 1 327 . 1 1 46 46 TYR HA H 1 4.1 0.05 . 1 . . . . . . . . 4024 1 328 . 1 1 46 46 TYR HB2 H 1 2.77 0.05 . 1 . . . . . . . . 4024 1 329 . 1 1 46 46 TYR HB3 H 1 3.19 0.05 . 1 . . . . . . . . 4024 1 330 . 1 1 46 46 TYR HD1 H 1 7.08 0.05 . 1 . . . . . . . . 4024 1 331 . 1 1 46 46 TYR HD2 H 1 7.08 0.05 . 1 . . . . . . . . 4024 1 332 . 1 1 46 46 TYR HE1 H 1 6.83 0.05 . 1 . . . . . . . . 4024 1 333 . 1 1 46 46 TYR HE2 H 1 6.83 0.05 . 1 . . . . . . . . 4024 1 334 . 1 1 47 47 ASN H H 1 6.7 0.05 . 1 . . . . . . . . 4024 1 335 . 1 1 47 47 ASN HA H 1 4.53 0.05 . 1 . . . . . . . . 4024 1 336 . 1 1 47 47 ASN HB2 H 1 2.92 0.05 . 1 . . . . . . . . 4024 1 337 . 1 1 47 47 ASN HB3 H 1 2.92 0.05 . 1 . . . . . . . . 4024 1 338 . 1 1 47 47 ASN HD21 H 1 7.44 0.05 . 2 . . . . . . . . 4024 1 339 . 1 1 47 47 ASN HD22 H 1 8.39 0.05 . 2 . . . . . . . . 4024 1 340 . 1 1 48 48 ILE H H 1 7.33 0.05 . 1 . . . . . . . . 4024 1 341 . 1 1 48 48 ILE HA H 1 2.94 0.05 . 1 . . . . . . . . 4024 1 342 . 1 1 48 48 ILE HB H 1 1.75 0.05 . 1 . . . . . . . . 4024 1 343 . 1 1 48 48 ILE HG12 H 1 1.3 0.05 . 1 . . . . . . . . 4024 1 344 . 1 1 48 48 ILE HG13 H 1 1.3 0.05 . 1 . . . . . . . . 4024 1 345 . 1 1 48 48 ILE HG21 H 1 1.00 0.05 . 1 . . . . . . . . 4024 1 346 . 1 1 48 48 ILE HG22 H 1 1.00 0.05 . 1 . . . . . . . . 4024 1 347 . 1 1 48 48 ILE HG23 H 1 1.00 0.05 . 1 . . . . . . . . 4024 1 348 . 1 1 48 48 ILE HD11 H 1 0.76 0.05 . 1 . . . . . . . . 4024 1 349 . 1 1 48 48 ILE HD12 H 1 0.76 0.05 . 1 . . . . . . . . 4024 1 350 . 1 1 48 48 ILE HD13 H 1 0.76 0.05 . 1 . . . . . . . . 4024 1 351 . 1 1 49 49 ARG H H 1 7.86 0.05 . 1 . . . . . . . . 4024 1 352 . 1 1 49 49 ARG HA H 1 3.65 0.05 . 1 . . . . . . . . 4024 1 353 . 1 1 49 49 ARG HB2 H 1 1.63 0.05 . 1 . . . . . . . . 4024 1 354 . 1 1 49 49 ARG HB3 H 1 1.63 0.05 . 1 . . . . . . . . 4024 1 355 . 1 1 49 49 ARG HG2 H 1 1.73 0.05 . 1 . . . . . . . . 4024 1 356 . 1 1 49 49 ARG HG3 H 1 1.73 0.05 . 1 . . . . . . . . 4024 1 357 . 1 1 49 49 ARG HD2 H 1 2.96 0.05 . 1 . . . . . . . . 4024 1 358 . 1 1 49 49 ARG HD3 H 1 2.96 0.05 . 1 . . . . . . . . 4024 1 359 . 1 1 50 50 SER H H 1 7.46 0.05 . 1 . . . . . . . . 4024 1 360 . 1 1 50 50 SER HA H 1 4.07 0.05 . 1 . . . . . . . . 4024 1 361 . 1 1 50 50 SER HB2 H 1 3.76 0.05 . 1 . . . . . . . . 4024 1 362 . 1 1 50 50 SER HB3 H 1 3.76 0.05 . 1 . . . . . . . . 4024 1 363 . 1 1 51 51 HIS H H 1 7.41 0.05 . 1 . . . . . . . . 4024 1 364 . 1 1 51 51 HIS HA H 1 4.28 0.05 . 1 . . . . . . . . 4024 1 365 . 1 1 51 51 HIS HB2 H 1 3.11 0.05 . 1 . . . . . . . . 4024 1 366 . 1 1 51 51 HIS HB3 H 1 2.88 0.05 . 1 . . . . . . . . 4024 1 367 . 1 1 51 51 HIS HD2 H 1 7.04 0.05 . 1 . . . . . . . . 4024 1 368 . 1 1 51 51 HIS HE2 H 1 7.84 0.05 . 1 . . . . . . . . 4024 1 369 . 1 1 52 52 ILE H H 1 8.74 0.05 . 1 . . . . . . . . 4024 1 370 . 1 1 52 52 ILE HA H 1 3.32 0.05 . 1 . . . . . . . . 4024 1 371 . 1 1 52 52 ILE HB H 1 1.83 0.05 . 1 . . . . . . . . 4024 1 372 . 1 1 52 52 ILE HG12 H 1 1.6 0.05 . 2 . . . . . . . . 4024 1 373 . 1 1 52 52 ILE HG13 H 1 1.99 0.05 . 2 . . . . . . . . 4024 1 374 . 1 1 52 52 ILE HG21 H 1 1.19 0.05 . 1 . . . . . . . . 4024 1 375 . 1 1 52 52 ILE HG22 H 1 1.19 0.05 . 1 . . . . . . . . 4024 1 376 . 1 1 52 52 ILE HG23 H 1 1.19 0.05 . 1 . . . . . . . . 4024 1 377 . 1 1 52 52 ILE HD11 H 1 1.00 0.05 . 1 . . . . . . . . 4024 1 378 . 1 1 52 52 ILE HD12 H 1 1.00 0.05 . 1 . . . . . . . . 4024 1 379 . 1 1 52 52 ILE HD13 H 1 1.00 0.05 . 1 . . . . . . . . 4024 1 380 . 1 1 53 53 GLN H H 1 7.56 0.05 . 1 . . . . . . . . 4024 1 381 . 1 1 53 53 GLN HA H 1 3.74 0.05 . 1 . . . . . . . . 4024 1 382 . 1 1 53 53 GLN HB2 H 1 2.23 0.05 . 1 . . . . . . . . 4024 1 383 . 1 1 53 53 GLN HB3 H 1 2.09 0.05 . 1 . . . . . . . . 4024 1 384 . 1 1 53 53 GLN HG2 H 1 2.355 0.05 . 1 . . . . . . . . 4024 1 385 . 1 1 53 53 GLN HG3 H 1 2.355 0.05 . 1 . . . . . . . . 4024 1 386 . 1 1 53 53 GLN HE21 H 1 7.59 0.05 . 1 . . . . . . . . 4024 1 387 . 1 1 53 53 GLN HE22 H 1 6.85 0.05 . 1 . . . . . . . . 4024 1 388 . 1 1 54 54 THR H H 1 7.36 0.05 . 1 . . . . . . . . 4024 1 389 . 1 1 54 54 THR HA H 1 4.06 0.05 . 1 . . . . . . . . 4024 1 390 . 1 1 54 54 THR HB H 1 4.06 0.05 . 1 . . . . . . . . 4024 1 391 . 1 1 54 54 THR HG21 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 392 . 1 1 54 54 THR HG22 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 393 . 1 1 54 54 THR HG23 H 1 1.21 0.05 . 1 . . . . . . . . 4024 1 394 . 1 1 55 55 HIS H H 1 7.15 0.05 . 1 . . . . . . . . 4024 1 395 . 1 1 55 55 HIS HA H 1 4.11 0.05 . 1 . . . . . . . . 4024 1 396 . 1 1 55 55 HIS HB2 H 1 2.53 0.05 . 1 . . . . . . . . 4024 1 397 . 1 1 55 55 HIS HB3 H 1 1.12 0.05 . 1 . . . . . . . . 4024 1 398 . 1 1 55 55 HIS HD1 H 1 12.2 0.05 . 1 . . . . . . . . 4024 1 399 . 1 1 55 55 HIS HD2 H 1 5.99 0.05 . 1 . . . . . . . . 4024 1 400 . 1 1 55 55 HIS HE2 H 1 7.99 0.05 . 1 . . . . . . . . 4024 1 401 . 1 1 56 56 LEU H H 1 7.31 0.05 . 1 . . . . . . . . 4024 1 402 . 1 1 56 56 LEU HA H 1 4.23 0.05 . 1 . . . . . . . . 4024 1 403 . 1 1 56 56 LEU HB2 H 1 1.72 0.05 . 1 . . . . . . . . 4024 1 404 . 1 1 56 56 LEU HB3 H 1 1.72 0.05 . 1 . . . . . . . . 4024 1 405 . 1 1 56 56 LEU HG H 1 1.58 0.05 . 1 . . . . . . . . 4024 1 406 . 1 1 56 56 LEU HD11 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 407 . 1 1 56 56 LEU HD12 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 408 . 1 1 56 56 LEU HD13 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 409 . 1 1 56 56 LEU HD21 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 410 . 1 1 56 56 LEU HD22 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 411 . 1 1 56 56 LEU HD23 H 1 0.9 0.05 . 1 . . . . . . . . 4024 1 412 . 1 1 57 57 GLU H H 1 7.72 0.05 . 1 . . . . . . . . 4024 1 413 . 1 1 57 57 GLU HA H 1 4.24 0.05 . 1 . . . . . . . . 4024 1 414 . 1 1 57 57 GLU HB2 H 1 1.97 0.05 . 2 . . . . . . . . 4024 1 415 . 1 1 57 57 GLU HB3 H 1 2.05 0.05 . 2 . . . . . . . . 4024 1 416 . 1 1 57 57 GLU HG2 H 1 2.27 0.05 . 2 . . . . . . . . 4024 1 417 . 1 1 57 57 GLU HG3 H 1 2.37 0.05 . 2 . . . . . . . . 4024 1 418 . 1 1 58 58 ASP H H 1 8.17 0.05 . 1 . . . . . . . . 4024 1 419 . 1 1 58 58 ASP HA H 1 4.66 0.05 . 1 . . . . . . . . 4024 1 420 . 1 1 58 58 ASP HB2 H 1 2.63 0.05 . 2 . . . . . . . . 4024 1 421 . 1 1 58 58 ASP HB3 H 1 2.79 0.05 . 2 . . . . . . . . 4024 1 422 . 1 1 59 59 ARG H H 1 7.84 0.05 . 1 . . . . . . . . 4024 1 423 . 1 1 59 59 ARG HA H 1 4.2 0.05 . 1 . . . . . . . . 4024 1 424 . 1 1 59 59 ARG HB2 H 1 1.77 0.05 . 2 . . . . . . . . 4024 1 425 . 1 1 59 59 ARG HB3 H 1 1.9 0.05 . 2 . . . . . . . . 4024 1 426 . 1 1 59 59 ARG HG2 H 1 1.64 0.05 . 1 . . . . . . . . 4024 1 427 . 1 1 59 59 ARG HG3 H 1 1.64 0.05 . 1 . . . . . . . . 4024 1 428 . 1 1 59 59 ARG HD2 H 1 3.24 0.05 . 1 . . . . . . . . 4024 1 429 . 1 1 59 59 ARG HD3 H 1 3.24 0.05 . 1 . . . . . . . . 4024 1 430 . 1 1 59 59 ARG HE H 1 7.32 0.05 . 1 . . . . . . . . 4024 1 stop_ save_