data_17630 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17630 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Human Just Another Zinc Finger Protein residues 23-117 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-08 _Entry.Accession_date 2011-05-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Russell Burge . G. . 17630 2 Maria Martinez-Yamout . A. . 17630 3 Joel Gottesfeld . M. . 17630 4 H. Dyson . J. . 17630 5 Peter Wright . E. . 17630 6 Jane Dyson . H. . 17630 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17630 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 72 17630 '15N chemical shifts' 64 17630 '1H chemical shifts' 65 17630 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 . . 2014-02-26 2011-05-08 update BMRB 'update entry citation' 17630 1 . . 2014-02-24 2011-05-08 original author 'original release' 17630 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17631 'JAZ ZF2' 17630 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17630 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24521053 _Citation.Full_citation . _Citation.Title 'Structural Characterization of Interactions between the Double-Stranded RNA-Binding Zinc Finger Protein JAZ and Nucleic Acids.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 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 Russell Burge . G. . 17630 1 2 Maria Martinez-Yamout . A. . 17630 1 3 'H. Jane' Dyson . . . 17630 1 4 Peter Wright . E. . 17630 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dsRNA 17630 1 'Just Another Zinc finger' 17630 1 'RNA-protein interactions' 17630 1 'Zinc Finger protein a' 17630 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17630 _Assembly.ID 1 _Assembly.Name 'JAZ ZF1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 'JAZ ZF1' 1 $JAZ_ZF1 A . yes native no no . . . 17630 1 2 'zinc ion' 2 $ZN A . no native no no . . . 17630 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 CYS 53 53 HG . 75 CYS SH 17630 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_JAZ_ZF1 _Entity.Sf_category entity _Entity.Sf_framecode JAZ_ZF1 _Entity.Entry_ID 17630 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name JAZ_ZF1 _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 ; SELLEGQEPDGVRFDRERAR RLWEAVSGAQPVGREEVEHM IQKNQCLFTNTQCKVCCALL ISESQKLAHYQSKKHANKVK RYLAIHGMETLKGET ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _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 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 yes GB EAW85038 . "JAZ, zinc finger protein 346" . . . . . . . . . . . . . . 17630 1 2 no DBJ BAG72878 . "zinc finger protein 346 [synthetic construct]" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 3 no DBJ BAH13202 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 131 100.00 100.00 4.34e-63 . . . . 17630 1 4 no DBJ BAH13338 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 2.35e-63 . . . . 17630 1 5 no EMBL CAH18475 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 6 no EMBL CAH93198 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 310 100.00 100.00 1.63e-61 . . . . 17630 1 7 no EMBL CAL37677 . "hypothetical protein [synthetic construct]" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 8 no EMBL CAL38643 . "hypothetical protein, partial [synthetic construct]" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 9 no GB AAD52018 . "double-stranded RNA-binding zinc finger protein JAZ [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 10 no GB AAH07775 . "Zinc finger protein 346 [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 11 no GB AIC50988 . "ZNF346, partial [synthetic construct]" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 12 no GB EAW85038 . "zinc finger protein 346, isoform CRA_a [Homo sapiens]" . . . . . 100.00 232 100.00 100.00 1.67e-62 . . . . 17630 1 13 no GB EAW85039 . "zinc finger protein 346, isoform CRA_b [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 2.35e-63 . . . . 17630 1 14 no REF NP_001126881 . "zinc finger protein 346 [Pongo abelii]" . . . . . 100.00 310 100.00 100.00 1.63e-61 . . . . 17630 1 15 no REF NP_001295144 . "zinc finger protein 346 isoform d [Homo sapiens]" . . . . . 100.00 232 100.00 100.00 1.67e-62 . . . . 17630 1 16 no REF NP_001295145 . "zinc finger protein 346 isoform e [Homo sapiens]" . . . . . 100.00 205 100.00 100.00 2.19e-62 . . . . 17630 1 17 no REF NP_001295148 . "zinc finger protein 346 isoform g [Homo sapiens]" . . . . . 100.00 194 100.00 100.00 1.36e-62 . . . . 17630 1 18 no REF NP_036411 . "zinc finger protein 346 isoform a [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 19 no SP Q5R4W8 . "RecName: Full=Zinc finger protein 346" . . . . . 100.00 310 100.00 100.00 1.63e-61 . . . . 17630 1 20 no SP Q9UL40 . "RecName: Full=Zinc finger protein 346; AltName: Full=Just another zinc finger protein" . . . . . 100.00 294 100.00 100.00 1.09e-61 . . . . 17630 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID dsRNA-binding 17630 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 23 SER . 17630 1 2 24 GLU . 17630 1 3 25 LEU . 17630 1 4 26 LEU . 17630 1 5 27 GLU . 17630 1 6 28 GLY . 17630 1 7 29 GLN . 17630 1 8 30 GLU . 17630 1 9 31 PRO . 17630 1 10 32 ASP . 17630 1 11 33 GLY . 17630 1 12 34 VAL . 17630 1 13 35 ARG . 17630 1 14 36 PHE . 17630 1 15 37 ASP . 17630 1 16 38 ARG . 17630 1 17 39 GLU . 17630 1 18 40 ARG . 17630 1 19 41 ALA . 17630 1 20 42 ARG . 17630 1 21 43 ARG . 17630 1 22 44 LEU . 17630 1 23 45 TRP . 17630 1 24 46 GLU . 17630 1 25 47 ALA . 17630 1 26 48 VAL . 17630 1 27 49 SER . 17630 1 28 50 GLY . 17630 1 29 51 ALA . 17630 1 30 52 GLN . 17630 1 31 53 PRO . 17630 1 32 54 VAL . 17630 1 33 55 GLY . 17630 1 34 56 ARG . 17630 1 35 57 GLU . 17630 1 36 58 GLU . 17630 1 37 59 VAL . 17630 1 38 60 GLU . 17630 1 39 61 HIS . 17630 1 40 62 MET . 17630 1 41 63 ILE . 17630 1 42 64 GLN . 17630 1 43 65 LYS . 17630 1 44 66 ASN . 17630 1 45 67 GLN . 17630 1 46 68 CYS . 17630 1 47 69 LEU . 17630 1 48 70 PHE . 17630 1 49 71 THR . 17630 1 50 72 ASN . 17630 1 51 73 THR . 17630 1 52 74 GLN . 17630 1 53 75 CYS . 17630 1 54 76 LYS . 17630 1 55 77 VAL . 17630 1 56 78 CYS . 17630 1 57 79 CYS . 17630 1 58 80 ALA . 17630 1 59 81 LEU . 17630 1 60 82 LEU . 17630 1 61 83 ILE . 17630 1 62 84 SER . 17630 1 63 85 GLU . 17630 1 64 86 SER . 17630 1 65 87 GLN . 17630 1 66 88 LYS . 17630 1 67 89 LEU . 17630 1 68 90 ALA . 17630 1 69 91 HIS . 17630 1 70 92 TYR . 17630 1 71 93 GLN . 17630 1 72 94 SER . 17630 1 73 95 LYS . 17630 1 74 96 LYS . 17630 1 75 97 HIS . 17630 1 76 98 ALA . 17630 1 77 99 ASN . 17630 1 78 100 LYS . 17630 1 79 101 VAL . 17630 1 80 102 LYS . 17630 1 81 103 ARG . 17630 1 82 104 TYR . 17630 1 83 105 LEU . 17630 1 84 106 ALA . 17630 1 85 107 ILE . 17630 1 86 108 HIS . 17630 1 87 109 GLY . 17630 1 88 110 MET . 17630 1 89 111 GLU . 17630 1 90 112 THR . 17630 1 91 113 LEU . 17630 1 92 114 LYS . 17630 1 93 115 GLY . 17630 1 94 116 GLU . 17630 1 95 117 THR . 17630 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 . SER 1 1 17630 1 . GLU 2 2 17630 1 . LEU 3 3 17630 1 . LEU 4 4 17630 1 . GLU 5 5 17630 1 . GLY 6 6 17630 1 . GLN 7 7 17630 1 . GLU 8 8 17630 1 . PRO 9 9 17630 1 . ASP 10 10 17630 1 . GLY 11 11 17630 1 . VAL 12 12 17630 1 . ARG 13 13 17630 1 . PHE 14 14 17630 1 . ASP 15 15 17630 1 . ARG 16 16 17630 1 . GLU 17 17 17630 1 . ARG 18 18 17630 1 . ALA 19 19 17630 1 . ARG 20 20 17630 1 . ARG 21 21 17630 1 . LEU 22 22 17630 1 . TRP 23 23 17630 1 . GLU 24 24 17630 1 . ALA 25 25 17630 1 . VAL 26 26 17630 1 . SER 27 27 17630 1 . GLY 28 28 17630 1 . ALA 29 29 17630 1 . GLN 30 30 17630 1 . PRO 31 31 17630 1 . VAL 32 32 17630 1 . GLY 33 33 17630 1 . ARG 34 34 17630 1 . GLU 35 35 17630 1 . GLU 36 36 17630 1 . VAL 37 37 17630 1 . GLU 38 38 17630 1 . HIS 39 39 17630 1 . MET 40 40 17630 1 . ILE 41 41 17630 1 . GLN 42 42 17630 1 . LYS 43 43 17630 1 . ASN 44 44 17630 1 . GLN 45 45 17630 1 . CYS 46 46 17630 1 . LEU 47 47 17630 1 . PHE 48 48 17630 1 . THR 49 49 17630 1 . ASN 50 50 17630 1 . THR 51 51 17630 1 . GLN 52 52 17630 1 . CYS 53 53 17630 1 . LYS 54 54 17630 1 . VAL 55 55 17630 1 . CYS 56 56 17630 1 . CYS 57 57 17630 1 . ALA 58 58 17630 1 . LEU 59 59 17630 1 . LEU 60 60 17630 1 . ILE 61 61 17630 1 . SER 62 62 17630 1 . GLU 63 63 17630 1 . SER 64 64 17630 1 . GLN 65 65 17630 1 . LYS 66 66 17630 1 . LEU 67 67 17630 1 . ALA 68 68 17630 1 . HIS 69 69 17630 1 . TYR 70 70 17630 1 . GLN 71 71 17630 1 . SER 72 72 17630 1 . LYS 73 73 17630 1 . LYS 74 74 17630 1 . HIS 75 75 17630 1 . ALA 76 76 17630 1 . ASN 77 77 17630 1 . LYS 78 78 17630 1 . VAL 79 79 17630 1 . LYS 80 80 17630 1 . ARG 81 81 17630 1 . TYR 82 82 17630 1 . LEU 83 83 17630 1 . ALA 84 84 17630 1 . ILE 85 85 17630 1 . HIS 86 86 17630 1 . GLY 87 87 17630 1 . MET 88 88 17630 1 . GLU 89 89 17630 1 . THR 90 90 17630 1 . LEU 91 91 17630 1 . LYS 92 92 17630 1 . GLY 93 93 17630 1 . GLU 94 94 17630 1 . THR 95 95 17630 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17630 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 17630 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 17630 _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 $JAZ_ZF1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17630 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 17630 _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 $JAZ_ZF1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 17630 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 17630 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon May 9 13:43:32 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 17630 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17630 ZN [Zn++] SMILES CACTVS 3.341 17630 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17630 ZN [Zn+2] SMILES ACDLabs 10.04 17630 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17630 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17630 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 17630 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17630 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17630 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17630 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'JAZ ZF1' '[U-99% 13C; U-99% 15N]' . . 1 $JAZ_ZF1 . . . 250 300 uM . . . . 17630 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 17630 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17630 1 4 D2O '[U-99% 2H]' . . . . . . 7 . . % . . . . 17630 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17630 1 6 zinc 'natural abundance' . . 2 $ZN . . 50 . . uM . . . . 17630 1 7 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17630 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 17630 _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' 75 . mM 17630 1 pH 7.3 . pH 17630 1 pressure 1 . atm 17630 1 temperature 298 . K 17630 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17630 _Software.ID 1 _Software.Name NMRView _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' . . 17630 1 'Johnson, One Moon Scientific' . . 17630 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17630 1 processing 17630 1 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 17630 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17630 _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 DRX . 600 . . . 17630 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 17630 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17630 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17630 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17630 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17630 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17630 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 17630 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 17630 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17630 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 17630 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 17630 _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 '2D 1H-15N HSQC' . . . 17630 1 2 '3D HNCA' . . . 17630 1 3 '3D HNCACB' . . . 17630 1 4 '3D HN(CO)CA' . . . 17630 1 5 '3D CBCA(CO)NH' . . . 17630 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 SER CA C 13 58.68 0.1 . 1 . . . . 23 SER CA . 17630 1 2 . 1 1 2 2 GLU H H 1 8.666 0.01 . 1 . . . . 24 GLU H . 17630 1 3 . 1 1 2 2 GLU CA C 13 56.64 0.1 . 1 . . . . 24 GLU CA . 17630 1 4 . 1 1 2 2 GLU N N 15 122.634 0.2 . 1 . . . . 24 GLU N . 17630 1 5 . 1 1 3 3 LEU H H 1 8.08 0.01 . 1 . . . . 25 LEU H . 17630 1 6 . 1 1 3 3 LEU CA C 13 55.1 0.1 . 1 . . . . 25 LEU CA . 17630 1 7 . 1 1 3 3 LEU N N 15 122.251 0.2 . 1 . . . . 25 LEU N . 17630 1 8 . 1 1 4 4 LEU H H 1 8.055 0.01 . 1 . . . . 26 LEU H . 17630 1 9 . 1 1 4 4 LEU CA C 13 54.7 0.1 . 1 . . . . 26 LEU CA . 17630 1 10 . 1 1 4 4 LEU N N 15 122.683 0.2 . 1 . . . . 26 LEU N . 17630 1 11 . 1 1 5 5 GLU H H 1 8.283 0.01 . 1 . . . . 27 GLU H . 17630 1 12 . 1 1 5 5 GLU CA C 13 56.79 0.1 . 1 . . . . 27 GLU CA . 17630 1 13 . 1 1 5 5 GLU N N 15 121.625 0.2 . 1 . . . . 27 GLU N . 17630 1 14 . 1 1 6 6 GLY H H 1 8.47 0.01 . 1 . . . . 28 GLY H . 17630 1 15 . 1 1 6 6 GLY CA C 13 45.24 0.1 . 1 . . . . 28 GLY CA . 17630 1 16 . 1 1 6 6 GLY N N 15 110.391 0.2 . 1 . . . . 28 GLY N . 17630 1 17 . 1 1 7 7 GLN H H 1 8.099 0.01 . 1 . . . . 29 GLN H . 17630 1 18 . 1 1 7 7 GLN CA C 13 55.21 0.1 . 1 . . . . 29 GLN CA . 17630 1 19 . 1 1 7 7 GLN N N 15 119.536 0.2 . 1 . . . . 29 GLN N . 17630 1 20 . 1 1 8 8 GLU H H 1 8.526 0.01 . 1 . . . . 30 GLU H . 17630 1 21 . 1 1 8 8 GLU CA C 13 54.6 0.1 . 1 . . . . 30 GLU CA . 17630 1 22 . 1 1 8 8 GLU N N 15 123.358 0.2 . 1 . . . . 30 GLU N . 17630 1 23 . 1 1 9 9 PRO CA C 13 62.23 0.1 . 1 . . . . 31 PRO CA . 17630 1 24 . 1 1 10 10 ASP H H 1 8.435 0.01 . 1 . . . . 32 ASP H . 17630 1 25 . 1 1 10 10 ASP CA C 13 54.82 0.1 . 1 . . . . 32 ASP CA . 17630 1 26 . 1 1 10 10 ASP N N 15 120.142 0.2 . 1 . . . . 32 ASP N . 17630 1 27 . 1 1 11 11 GLY H H 1 8.279 0.01 . 1 . . . . 33 GLY H . 17630 1 28 . 1 1 11 11 GLY CA C 13 45.68 0.1 . 1 . . . . 33 GLY CA . 17630 1 29 . 1 1 11 11 GLY N N 15 108.517 0.2 . 1 . . . . 33 GLY N . 17630 1 30 . 1 1 12 12 VAL H H 1 7.729 0.01 . 1 . . . . 34 VAL H . 17630 1 31 . 1 1 12 12 VAL CA C 13 63.008 0.1 . 1 . . . . 34 VAL CA . 17630 1 32 . 1 1 12 12 VAL N N 15 119.782 0.2 . 1 . . . . 34 VAL N . 17630 1 33 . 1 1 13 13 ARG H H 1 8.166 0.01 . 1 . . . . 35 ARG H . 17630 1 34 . 1 1 13 13 ARG CA C 13 56.59 0.1 . 1 . . . . 35 ARG CA . 17630 1 35 . 1 1 13 13 ARG N N 15 123.408 0.2 . 1 . . . . 35 ARG N . 17630 1 36 . 1 1 14 14 PHE H H 1 8.376 0.01 . 1 . . . . 36 PHE H . 17630 1 37 . 1 1 14 14 PHE CA C 13 58.33 0.1 . 1 . . . . 36 PHE CA . 17630 1 38 . 1 1 14 14 PHE N N 15 122.221 0.2 . 1 . . . . 36 PHE N . 17630 1 39 . 1 1 18 18 ARG CA C 13 58.841 0.1 . 1 . . . . 40 ARG CA . 17630 1 40 . 1 1 19 19 ALA H H 1 8.031 0.01 . 1 . . . . 41 ALA H . 17630 1 41 . 1 1 19 19 ALA CA C 13 54.98 0.1 . 1 . . . . 41 ALA CA . 17630 1 42 . 1 1 19 19 ALA N N 15 121.449 0.2 . 1 . . . . 41 ALA N . 17630 1 43 . 1 1 20 20 ARG H H 1 8.041 0.01 . 1 . . . . 42 ARG H . 17630 1 44 . 1 1 20 20 ARG CA C 13 59.14 0.1 . 1 . . . . 42 ARG CA . 17630 1 45 . 1 1 20 20 ARG N N 15 119.103 0.2 . 1 . . . . 42 ARG N . 17630 1 46 . 1 1 21 21 ARG H H 1 7.91 0.01 . 1 . . . . 43 ARG H . 17630 1 47 . 1 1 21 21 ARG CA C 13 53.75 0.1 . 1 . . . . 43 ARG CA . 17630 1 48 . 1 1 21 21 ARG N N 15 118.222 0.2 . 1 . . . . 43 ARG N . 17630 1 49 . 1 1 26 26 VAL CA C 13 61.94 0.1 . 1 . . . . 48 VAL CA . 17630 1 50 . 1 1 27 27 SER H H 1 7.663 0.01 . 1 . . . . 49 SER H . 17630 1 51 . 1 1 27 27 SER CA C 13 59.92 0.1 . 1 . . . . 49 SER CA . 17630 1 52 . 1 1 27 27 SER N N 15 116.568 0.2 . 1 . . . . 49 SER N . 17630 1 53 . 1 1 28 28 GLY H H 1 7.902 0.01 . 1 . . . . 50 GLY H . 17630 1 54 . 1 1 28 28 GLY CA C 13 44.91 0.1 . 1 . . . . 50 GLY CA . 17630 1 55 . 1 1 28 28 GLY N N 15 110.388 0.2 . 1 . . . . 50 GLY N . 17630 1 56 . 1 1 29 29 ALA H H 1 8.084 0.01 . 1 . . . . 51 ALA H . 17630 1 57 . 1 1 29 29 ALA CA C 13 52.44 0.1 . 1 . . . . 51 ALA CA . 17630 1 58 . 1 1 29 29 ALA N N 15 123.219 0.2 . 1 . . . . 51 ALA N . 17630 1 59 . 1 1 30 30 GLN H H 1 8.099 0.01 . 1 . . . . 52 GLN H . 17630 1 60 . 1 1 30 30 GLN CA C 13 59.63 0.1 . 1 . . . . 52 GLN CA . 17630 1 61 . 1 1 30 30 GLN N N 15 119.536 0.2 . 1 . . . . 52 GLN N . 17630 1 62 . 1 1 31 31 PRO CA C 13 62.623 0.1 . 1 . . . . 53 PRO CA . 17630 1 63 . 1 1 32 32 VAL H H 1 8.457 0.01 . 1 . . . . 54 VAL H . 17630 1 64 . 1 1 32 32 VAL CA C 13 62.173 0.1 . 1 . . . . 54 VAL CA . 17630 1 65 . 1 1 32 32 VAL N N 15 121.652 0.2 . 1 . . . . 54 VAL N . 17630 1 66 . 1 1 33 33 GLY H H 1 8.256 0.01 . 1 . . . . 55 GLY H . 17630 1 67 . 1 1 33 33 GLY CA C 13 44.008 0.1 . 1 . . . . 55 GLY CA . 17630 1 68 . 1 1 33 33 GLY N N 15 113.087 0.2 . 1 . . . . 55 GLY N . 17630 1 69 . 1 1 34 34 ARG H H 1 8.442 0.01 . 1 . . . . 56 ARG H . 17630 1 70 . 1 1 34 34 ARG CA C 13 59.826 0.1 . 1 . . . . 56 ARG CA . 17630 1 71 . 1 1 34 34 ARG N N 15 119.204 0.2 . 1 . . . . 56 ARG N . 17630 1 72 . 1 1 35 35 GLU H H 1 8.805 0.01 . 1 . . . . 57 GLU H . 17630 1 73 . 1 1 35 35 GLU CA C 13 59.701 0.1 . 1 . . . . 57 GLU CA . 17630 1 74 . 1 1 35 35 GLU N N 15 118.743 0.2 . 1 . . . . 57 GLU N . 17630 1 75 . 1 1 49 49 THR H H 1 8.223 0.01 . 1 . . . . 71 THR H . 17630 1 76 . 1 1 49 49 THR CA C 13 58.54 0.1 . 1 . . . . 71 THR CA . 17630 1 77 . 1 1 49 49 THR N N 15 109.344 0.2 . 1 . . . . 71 THR N . 17630 1 78 . 1 1 50 50 ASN H H 1 8.961 0.01 . 1 . . . . 72 ASN H . 17630 1 79 . 1 1 50 50 ASN CA C 13 55.66 0.1 . 1 . . . . 72 ASN CA . 17630 1 80 . 1 1 50 50 ASN N N 15 116.936 0.2 . 1 . . . . 72 ASN N . 17630 1 81 . 1 1 51 51 THR H H 1 7.696 0.01 . 1 . . . . 73 THR H . 17630 1 82 . 1 1 51 51 THR CA C 13 60.88 0.1 . 1 . . . . 73 THR CA . 17630 1 83 . 1 1 51 51 THR N N 15 126.903 0.2 . 1 . . . . 73 THR N . 17630 1 84 . 1 1 52 52 GLN H H 1 7.649 0.01 . 1 . . . . 74 GLN H . 17630 1 85 . 1 1 52 52 GLN CA C 13 55.43 0.1 . 1 . . . . 74 GLN CA . 17630 1 86 . 1 1 52 52 GLN N N 15 122.971 0.2 . 1 . . . . 74 GLN N . 17630 1 87 . 1 1 53 53 CYS H H 1 8.408 0.01 . 1 . . . . 75 CYS H . 17630 1 88 . 1 1 53 53 CYS CA C 13 58.69 0.1 . 1 . . . . 75 CYS CA . 17630 1 89 . 1 1 53 53 CYS N N 15 127.025 0.2 . 1 . . . . 75 CYS N . 17630 1 90 . 1 1 54 54 LYS H H 1 9.186 0.01 . 1 . . . . 76 LYS H . 17630 1 91 . 1 1 54 54 LYS CA C 13 58.76 0.1 . 1 . . . . 76 LYS CA . 17630 1 92 . 1 1 54 54 LYS N N 15 127.796 0.2 . 1 . . . . 76 LYS N . 17630 1 93 . 1 1 55 55 VAL H H 1 7.674 0.01 . 1 . . . . 77 VAL H . 17630 1 94 . 1 1 55 55 VAL CA C 13 65.65 0.1 . 1 . . . . 77 VAL CA . 17630 1 95 . 1 1 55 55 VAL N N 15 119.185 0.2 . 1 . . . . 77 VAL N . 17630 1 96 . 1 1 56 56 CYS H H 1 8.704 0.01 . 1 . . . . 78 CYS H . 17630 1 97 . 1 1 56 56 CYS CA C 13 60.34 0.1 . 1 . . . . 78 CYS CA . 17630 1 98 . 1 1 56 56 CYS N N 15 120.319 0.2 . 1 . . . . 78 CYS N . 17630 1 99 . 1 1 57 57 CYS H H 1 7.848 0.01 . 1 . . . . 79 CYS H . 17630 1 100 . 1 1 57 57 CYS CA C 13 59.9 0.1 . 1 . . . . 79 CYS CA . 17630 1 101 . 1 1 57 57 CYS N N 15 116.354 0.2 . 1 . . . . 79 CYS N . 17630 1 102 . 1 1 58 58 ALA H H 1 7.451 0.01 . 1 . . . . 80 ALA H . 17630 1 103 . 1 1 58 58 ALA CA C 13 49.83 0.1 . 1 . . . . 80 ALA CA . 17630 1 104 . 1 1 58 58 ALA N N 15 120.593 0.2 . 1 . . . . 80 ALA N . 17630 1 105 . 1 1 59 59 LEU H H 1 8.451 0.01 . 1 . . . . 81 LEU H . 17630 1 106 . 1 1 59 59 LEU CA C 13 54.3 0.1 . 1 . . . . 81 LEU CA . 17630 1 107 . 1 1 59 59 LEU N N 15 124.977 0.2 . 1 . . . . 81 LEU N . 17630 1 108 . 1 1 60 60 LEU H H 1 8.12 0.01 . 1 . . . . 82 LEU H . 17630 1 109 . 1 1 60 60 LEU CA C 13 52.633 0.1 . 1 . . . . 82 LEU CA . 17630 1 110 . 1 1 60 60 LEU N N 15 125.675 0.2 . 1 . . . . 82 LEU N . 17630 1 111 . 1 1 61 61 ILE H H 1 8.125 0.01 . 1 . . . . 83 ILE H . 17630 1 112 . 1 1 61 61 ILE CA C 13 61.87 0.1 . 1 . . . . 83 ILE CA . 17630 1 113 . 1 1 61 61 ILE N N 15 116.564 0.2 . 1 . . . . 83 ILE N . 17630 1 114 . 1 1 62 62 SER H H 1 8.125 0.01 . 1 . . . . 84 SER H . 17630 1 115 . 1 1 62 62 SER CA C 13 55.89 0.1 . 1 . . . . 84 SER CA . 17630 1 116 . 1 1 62 62 SER N N 15 113.324 0.2 . 1 . . . . 84 SER N . 17630 1 117 . 1 1 63 63 GLU H H 1 7.814 0.01 . 1 . . . . 85 GLU H . 17630 1 118 . 1 1 65 65 GLN H H 1 7.387 0.01 . 1 . . . . 87 GLN H . 17630 1 119 . 1 1 65 65 GLN CA C 13 58.694 0.1 . 1 . . . . 87 GLN CA . 17630 1 120 . 1 1 65 65 GLN N N 15 122.864 0.2 . 1 . . . . 87 GLN N . 17630 1 121 . 1 1 66 66 LYS H H 1 8.323 0.01 . 1 . . . . 88 LYS H . 17630 1 122 . 1 1 66 66 LYS CA C 13 59.904 0.1 . 1 . . . . 88 LYS CA . 17630 1 123 . 1 1 66 66 LYS N N 15 121.888 0.2 . 1 . . . . 88 LYS N . 17630 1 124 . 1 1 67 67 LEU H H 1 8.213 0.01 . 1 . . . . 89 LEU H . 17630 1 125 . 1 1 67 67 LEU CA C 13 58.232 0.1 . 1 . . . . 89 LEU CA . 17630 1 126 . 1 1 67 67 LEU N N 15 118.123 0.2 . 1 . . . . 89 LEU N . 17630 1 127 . 1 1 68 68 ALA H H 1 7.746 0.01 . 1 . . . . 90 ALA H . 17630 1 128 . 1 1 68 68 ALA CA C 13 54.5 0.1 . 1 . . . . 90 ALA CA . 17630 1 129 . 1 1 68 68 ALA N N 15 118.219 0.2 . 1 . . . . 90 ALA N . 17630 1 130 . 1 1 69 69 HIS H H 1 8.303 0.01 . 1 . . . . 91 HIS H . 17630 1 131 . 1 1 69 69 HIS CA C 13 60.58 0.1 . 1 . . . . 91 HIS CA . 17630 1 132 . 1 1 69 69 HIS N N 15 115.77 0.2 . 1 . . . . 91 HIS N . 17630 1 133 . 1 1 70 70 TYR H H 1 7.887 0.01 . 1 . . . . 92 TYR H . 17630 1 134 . 1 1 70 70 TYR CA C 13 61.11 0.1 . 1 . . . . 92 TYR CA . 17630 1 135 . 1 1 70 70 TYR N N 15 116.614 0.2 . 1 . . . . 92 TYR N . 17630 1 136 . 1 1 71 71 GLN H H 1 7.374 0.01 . 1 . . . . 93 GLN H . 17630 1 137 . 1 1 71 71 GLN CA C 13 56.192 0.1 . 1 . . . . 93 GLN CA . 17630 1 138 . 1 1 71 71 GLN N N 15 114.647 0.2 . 1 . . . . 93 GLN N . 17630 1 139 . 1 1 72 72 SER H H 1 7.337 0.01 . 1 . . . . 94 SER H . 17630 1 140 . 1 1 72 72 SER CA C 13 58.991 0.1 . 1 . . . . 94 SER CA . 17630 1 141 . 1 1 72 72 SER N N 15 115.451 0.2 . 1 . . . . 94 SER N . 17630 1 142 . 1 1 73 73 LYS CA C 13 58.46 0.1 . 1 . . . . 95 LYS CA . 17630 1 143 . 1 1 74 74 LYS H H 1 8.356 0.01 . 1 . . . . 96 LYS H . 17630 1 144 . 1 1 74 74 LYS CA C 13 59.98 0.1 . 1 . . . . 96 LYS CA . 17630 1 145 . 1 1 74 74 LYS N N 15 118.738 0.2 . 1 . . . . 96 LYS N . 17630 1 146 . 1 1 75 75 HIS H H 1 7.212 0.01 . 1 . . . . 97 HIS H . 17630 1 147 . 1 1 75 75 HIS CA C 13 59.77 0.1 . 1 . . . . 97 HIS CA . 17630 1 148 . 1 1 75 75 HIS N N 15 117.237 0.2 . 1 . . . . 97 HIS N . 17630 1 149 . 1 1 76 76 ALA H H 1 7.364 0.01 . 1 . . . . 98 ALA H . 17630 1 150 . 1 1 76 76 ALA CA C 13 55.51 0.1 . 1 . . . . 98 ALA CA . 17630 1 151 . 1 1 76 76 ALA N N 15 121.172 0.2 . 1 . . . . 98 ALA N . 17630 1 152 . 1 1 77 77 ASN H H 1 8.502 0.01 . 1 . . . . 99 ASN H . 17630 1 153 . 1 1 77 77 ASN CA C 13 55.55 0.1 . 1 . . . . 99 ASN CA . 17630 1 154 . 1 1 77 77 ASN N N 15 115.609 0.2 . 1 . . . . 99 ASN N . 17630 1 155 . 1 1 79 79 VAL CA C 13 67.04 0.1 . 1 . . . . 101 VAL CA . 17630 1 156 . 1 1 80 80 LYS H H 1 8.133 0.01 . 1 . . . . 102 LYS H . 17630 1 157 . 1 1 80 80 LYS CA C 13 60.503 0.1 . 1 . . . . 102 LYS CA . 17630 1 158 . 1 1 80 80 LYS N N 15 119.73 0.2 . 1 . . . . 102 LYS N . 17630 1 159 . 1 1 81 81 ARG H H 1 7.643 0.01 . 1 . . . . 103 ARG H . 17630 1 160 . 1 1 81 81 ARG CA C 13 58.76 0.1 . 1 . . . . 103 ARG CA . 17630 1 161 . 1 1 81 81 ARG N N 15 118.479 0.2 . 1 . . . . 103 ARG N . 17630 1 162 . 1 1 82 82 TYR CA C 13 61.71 0.1 . 1 . . . . 104 TYR CA . 17630 1 163 . 1 1 83 83 LEU H H 1 8.621 0.01 . 1 . . . . 105 LEU H . 17630 1 164 . 1 1 83 83 LEU CA C 13 57.484 0.1 . 1 . . . . 105 LEU CA . 17630 1 165 . 1 1 83 83 LEU N N 15 118.748 0.2 . 1 . . . . 105 LEU N . 17630 1 166 . 1 1 84 84 ALA H H 1 7.887 0.01 . 1 . . . . 106 ALA H . 17630 1 167 . 1 1 84 84 ALA CA C 13 54.752 0.1 . 1 . . . . 106 ALA CA . 17630 1 168 . 1 1 84 84 ALA N N 15 121.818 0.2 . 1 . . . . 106 ALA N . 17630 1 169 . 1 1 85 85 ILE H H 1 7.821 0.01 . 1 . . . . 107 ILE H . 17630 1 170 . 1 1 85 85 ILE CA C 13 63.4 0.1 . 1 . . . . 107 ILE CA . 17630 1 171 . 1 1 85 85 ILE N N 15 117.325 0.2 . 1 . . . . 107 ILE N . 17630 1 172 . 1 1 86 86 HIS H H 1 7.46 0.01 . 1 . . . . 108 HIS H . 17630 1 173 . 1 1 86 86 HIS CA C 13 56.95 0.1 . 1 . . . . 108 HIS CA . 17630 1 174 . 1 1 86 86 HIS N N 15 117.125 0.2 . 1 . . . . 108 HIS N . 17630 1 175 . 1 1 87 87 GLY H H 1 7.782 0.01 . 1 . . . . 109 GLY H . 17630 1 176 . 1 1 87 87 GLY CA C 13 45.99 0.1 . 1 . . . . 109 GLY CA . 17630 1 177 . 1 1 87 87 GLY N N 15 107.589 0.2 . 1 . . . . 109 GLY N . 17630 1 178 . 1 1 88 88 MET H H 1 8.041 0.01 . 1 . . . . 110 MET H . 17630 1 179 . 1 1 88 88 MET CA C 13 55.132 0.1 . 1 . . . . 110 MET CA . 17630 1 180 . 1 1 88 88 MET N N 15 119.103 0.2 . 1 . . . . 110 MET N . 17630 1 181 . 1 1 89 89 GLU H H 1 8.356 0.01 . 1 . . . . 111 GLU H . 17630 1 182 . 1 1 89 89 GLU CA C 13 56.951 0.1 . 1 . . . . 111 GLU CA . 17630 1 183 . 1 1 89 89 GLU N N 15 121.021 0.2 . 1 . . . . 111 GLU N . 17630 1 184 . 1 1 90 90 THR H H 1 7.917 0.01 . 1 . . . . 112 THR H . 17630 1 185 . 1 1 90 90 THR CA C 13 61.8 0.1 . 1 . . . . 112 THR CA . 17630 1 186 . 1 1 90 90 THR N N 15 114.366 0.2 . 1 . . . . 112 THR N . 17630 1 187 . 1 1 91 91 LEU H H 1 8.114 0.01 . 1 . . . . 113 LEU H . 17630 1 188 . 1 1 91 91 LEU CA C 13 54.902 0.1 . 1 . . . . 113 LEU CA . 17630 1 189 . 1 1 91 91 LEU N N 15 124.189 0.2 . 1 . . . . 113 LEU N . 17630 1 190 . 1 1 92 92 LYS H H 1 8.216 0.01 . 1 . . . . 114 LYS H . 17630 1 191 . 1 1 92 92 LYS CA C 13 56.42 0.1 . 1 . . . . 114 LYS CA . 17630 1 192 . 1 1 92 92 LYS N N 15 122.207 0.2 . 1 . . . . 114 LYS N . 17630 1 193 . 1 1 93 93 GLY H H 1 8.325 0.01 . 1 . . . . 115 GLY H . 17630 1 194 . 1 1 93 93 GLY CA C 13 44.99 0.1 . 1 . . . . 115 GLY CA . 17630 1 195 . 1 1 93 93 GLY N N 15 110.313 0.2 . 1 . . . . 115 GLY N . 17630 1 196 . 1 1 94 94 GLU H H 1 8.236 0.01 . 1 . . . . 116 GLU H . 17630 1 197 . 1 1 94 94 GLU CA C 13 56.492 0.1 . 1 . . . . 116 GLU CA . 17630 1 198 . 1 1 94 94 GLU N N 15 120.745 0.2 . 1 . . . . 116 GLU N . 17630 1 199 . 1 1 95 95 THR H H 1 7.79 0.01 . 1 . . . . 117 THR H . 17630 1 200 . 1 1 95 95 THR CA C 13 63.23 0.1 . 1 . . . . 117 THR CA . 17630 1 201 . 1 1 95 95 THR N N 15 119.657 0.2 . 1 . . . . 117 THR N . 17630 1 stop_ save_