data_17679 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17679 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Human Just Another Zinc Finger Protein residues 168-227 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-31 _Entry.Accession_date 2011-05-31 _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 'JAZ ZF3' _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. . 17679 2 Maria Martinez-Yamout . A. . 17679 3 H. Dyson . Jane . 17679 4 Peter Wright . E. . 17679 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17679 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 113 17679 '15N chemical shifts' 55 17679 '1H chemical shifts' 55 17679 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 2011-05-31 update BMRB 'update entry citation' 17679 1 . . 2014-02-24 2011-05-31 original author 'original release' 17679 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17679 _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. . 17679 1 2 Maria Martinez-Yamout . A. . 17679 1 3 'H. Jane' Dyson . . . 17679 1 4 Peter Wright . E. . 17679 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dsRNA-binding 17679 1 'zinc finger' 17679 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17679 _Assembly.ID 1 _Assembly.Name 'JAZ ZF3' _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 ZF3' 1 $JAZ_ZF3 A . yes native no no . . . 17679 1 2 zinc 2 $ZN A . no native no no . . . 17679 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 coordination single . 1 'JAZ ZF3' 1 CYS 20 20 SG . 2 Zinc 2 ZN 1 1 ZN . 'JAZ ZF3' 20 CYS SG . Zinc 1 ZN ZN 17679 1 2 coordination single . 1 'JAZ ZF3' 1 CYS 23 23 SG . 2 Zinc 2 ZN 1 1 ZN . 'JAZ ZF3' 23 CYS SG . Zinc 1 ZN ZN 17679 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 20 20 SH . 187 CYS SH 17679 1 . . 1 1 CYS 23 23 SH . 190 CYS SH 17679 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_JAZ_ZF3 _Entity.Sf_category entity _Entity.Sf_framecode JAZ_ZF3 _Entity.Entry_ID 17679 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name JAZ_ZF3 _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 ; STKVEALHQNREMIDPDKFC SLCHATFNDPVMAQQHYVGK KHRKQETKLKLMARYGRLAD ; _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 60 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all 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 ZNF346" . . . . . . . . . . . . . . 17679 1 2 no PDB 2MKD . "Human Jaz Zf3 Residues 168-227" . . . . . 100.00 60 100.00 100.00 1.27e-36 . . . . 17679 1 3 no PDB 2MKN . "Structural Characterization Of Interactions Between The Double- Stranded Rna-binding Zinc Finger Protein Jaz And Dsrna" . . . . . 73.33 44 100.00 100.00 2.55e-24 . . . . 17679 1 4 no DBJ BAD18614 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 319 100.00 100.00 2.19e-34 . . . . 17679 1 5 no DBJ BAG72878 . "zinc finger protein 346 [synthetic construct]" . . . . . 100.00 294 100.00 100.00 1.12e-34 . . . . 17679 1 6 no DBJ BAH12103 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 262 100.00 100.00 6.30e-35 . . . . 17679 1 7 no DBJ BAH12584 . "unnamed protein product [Homo sapiens]" . . . . . 91.67 196 100.00 100.00 1.85e-32 . . . . 17679 1 8 no EMBL CAH18475 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.12e-34 . . . . 17679 1 9 no EMBL CAL37677 . "hypothetical protein [synthetic construct]" . . . . . 100.00 294 100.00 100.00 1.12e-34 . . . . 17679 1 10 no EMBL CAL38643 . "hypothetical protein, partial [synthetic construct]" . . . . . 100.00 294 100.00 100.00 1.12e-34 . . . . 17679 1 11 no GB AAD52018 . "double-stranded RNA-binding zinc finger protein JAZ [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.21e-34 . . . . 17679 1 12 no GB AAH07775 . "Zinc finger protein 346 [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.21e-34 . . . . 17679 1 13 no GB AIC50988 . "ZNF346, partial [synthetic construct]" . . . . . 100.00 294 100.00 100.00 1.21e-34 . . . . 17679 1 14 no GB EAW85040 . "zinc finger protein 346, isoform CRA_c [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.21e-34 . . . . 17679 1 15 no GB EFB17692 . "hypothetical protein PANDA_018109, partial [Ailuropoda melanoleuca]" . . . . . 100.00 294 98.33 98.33 2.11e-33 . . . . 17679 1 16 no REF NP_001231409 . "zinc finger protein 346 [Sus scrofa]" . . . . . 100.00 294 98.33 98.33 9.66e-34 . . . . 17679 1 17 no REF NP_001295142 . "zinc finger protein 346 isoform b [Homo sapiens]" . . . . . 100.00 319 100.00 100.00 2.19e-34 . . . . 17679 1 18 no REF NP_001295143 . "zinc finger protein 346 isoform c [Homo sapiens]" . . . . . 100.00 262 100.00 100.00 6.30e-35 . . . . 17679 1 19 no REF NP_001295147 . "zinc finger protein 346 isoform f [Homo sapiens]" . . . . . 91.67 196 100.00 100.00 1.85e-32 . . . . 17679 1 20 no REF NP_036411 . "zinc finger protein 346 isoform a [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 1.21e-34 . . . . 17679 1 21 no SP Q9UL40 . "RecName: Full=Zinc finger protein 346; AltName: Full=Just another zinc finger protein" . . . . . 100.00 294 100.00 100.00 1.21e-34 . . . . 17679 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 1 168 SER . 17679 1 2 169 THR . 17679 1 3 170 LYS . 17679 1 4 171 VAL . 17679 1 5 172 GLU . 17679 1 6 173 ALA . 17679 1 7 174 LEU . 17679 1 8 175 HIS . 17679 1 9 176 GLN . 17679 1 10 177 ASN . 17679 1 11 178 ARG . 17679 1 12 179 GLU . 17679 1 13 180 MET . 17679 1 14 181 ILE . 17679 1 15 182 ASP . 17679 1 16 183 PRO . 17679 1 17 184 ASP . 17679 1 18 185 LYS . 17679 1 19 186 PHE . 17679 1 20 187 CYS . 17679 1 21 188 SER . 17679 1 22 189 LEU . 17679 1 23 190 CYS . 17679 1 24 191 HIS . 17679 1 25 192 ALA . 17679 1 26 193 THR . 17679 1 27 194 PHE . 17679 1 28 195 ASN . 17679 1 29 196 ASP . 17679 1 30 197 PRO . 17679 1 31 198 VAL . 17679 1 32 199 MET . 17679 1 33 200 ALA . 17679 1 34 201 GLN . 17679 1 35 202 GLN . 17679 1 36 203 HIS . 17679 1 37 204 TYR . 17679 1 38 205 VAL . 17679 1 39 206 GLY . 17679 1 40 207 LYS . 17679 1 41 208 LYS . 17679 1 42 209 HIS . 17679 1 43 210 ARG . 17679 1 44 211 LYS . 17679 1 45 212 GLN . 17679 1 46 213 GLU . 17679 1 47 214 THR . 17679 1 48 215 LYS . 17679 1 49 216 LEU . 17679 1 50 217 LYS . 17679 1 51 218 LEU . 17679 1 52 219 MET . 17679 1 53 220 ALA . 17679 1 54 221 ARG . 17679 1 55 222 TYR . 17679 1 56 223 GLY . 17679 1 57 224 ARG . 17679 1 58 225 LEU . 17679 1 59 226 ALA . 17679 1 60 227 ASP . 17679 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 17679 1 . THR 2 2 17679 1 . LYS 3 3 17679 1 . VAL 4 4 17679 1 . GLU 5 5 17679 1 . ALA 6 6 17679 1 . LEU 7 7 17679 1 . HIS 8 8 17679 1 . GLN 9 9 17679 1 . ASN 10 10 17679 1 . ARG 11 11 17679 1 . GLU 12 12 17679 1 . MET 13 13 17679 1 . ILE 14 14 17679 1 . ASP 15 15 17679 1 . PRO 16 16 17679 1 . ASP 17 17 17679 1 . LYS 18 18 17679 1 . PHE 19 19 17679 1 . CYS 20 20 17679 1 . SER 21 21 17679 1 . LEU 22 22 17679 1 . CYS 23 23 17679 1 . HIS 24 24 17679 1 . ALA 25 25 17679 1 . THR 26 26 17679 1 . PHE 27 27 17679 1 . ASN 28 28 17679 1 . ASP 29 29 17679 1 . PRO 30 30 17679 1 . VAL 31 31 17679 1 . MET 32 32 17679 1 . ALA 33 33 17679 1 . GLN 34 34 17679 1 . GLN 35 35 17679 1 . HIS 36 36 17679 1 . TYR 37 37 17679 1 . VAL 38 38 17679 1 . GLY 39 39 17679 1 . LYS 40 40 17679 1 . LYS 41 41 17679 1 . HIS 42 42 17679 1 . ARG 43 43 17679 1 . LYS 44 44 17679 1 . GLN 45 45 17679 1 . GLU 46 46 17679 1 . THR 47 47 17679 1 . LYS 48 48 17679 1 . LEU 49 49 17679 1 . LYS 50 50 17679 1 . LEU 51 51 17679 1 . MET 52 52 17679 1 . ALA 53 53 17679 1 . ARG 54 54 17679 1 . TYR 55 55 17679 1 . GLY 56 56 17679 1 . ARG 57 57 17679 1 . LEU 58 58 17679 1 . ALA 59 59 17679 1 . ASP 60 60 17679 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17679 _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 . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 . 17679 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 17679 _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_ZF3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17679 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 17679 _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_ZF3 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 17679 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 17679 _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 . _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 Wed Jun 1 09:21:02 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 17679 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17679 ZN [Zn++] SMILES CACTVS 3.341 17679 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17679 ZN [Zn+2] SMILES ACDLabs 10.04 17679 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17679 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17679 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 17679 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17679 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 . 17679 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17679 _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 ZF3' '[U-98% 13C; U-98% 15N]' . . 1 $JAZ_ZF3 . . 300 . . uM . . . . 17679 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 17679 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17679 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17679 1 5 zinc 'natural abundance' . . 2 $ZN . . 50 . . uM . . . . 17679 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17679 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17679 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 17679 _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 10 mM 17679 1 pH 7.3 0.1 pH 17679 1 pressure 1 . atm 17679 1 temperature 298 . K 17679 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17679 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17679 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17679 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17679 _Software.ID 2 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17679 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17679 2 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 17679 _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 17679 _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 . . . 17679 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 17679 _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 . . . . . . . . . . . . . . . . 17679 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17679 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17679 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17679 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17679 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 17679 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17679 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17679 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17679 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 17679 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'estimates from peaklists' _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' . . . 17679 1 2 '3D CBCA(CO)NH' . . . 17679 1 3 '3D HNCA' . . . 17679 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 61.981 0.1 . 1 . . . . 168 SER CA . 17679 1 2 . 1 1 2 2 THR C C 13 174.284 0.1 . 1 . . . . 169 THR C . 17679 1 3 . 1 1 2 2 THR CA C 13 61.864 0.1 . 1 . . . . 169 THR CA . 17679 1 4 . 1 1 3 3 LYS H H 1 8.296 0.01 . 1 . . . . 170 LYS H . 17679 1 5 . 1 1 3 3 LYS C C 13 176.283 0.1 . 1 . . . . 170 LYS C . 17679 1 6 . 1 1 3 3 LYS CA C 13 56.318 0.1 . 1 . . . . 170 LYS CA . 17679 1 7 . 1 1 3 3 LYS N N 15 124.627 0.2 . 1 . . . . 170 LYS N . 17679 1 8 . 1 1 4 4 VAL H H 1 8.136 0.01 . 1 . . . . 171 VAL H . 17679 1 9 . 1 1 4 4 VAL C C 13 176.101 0.1 . 1 . . . . 171 VAL C . 17679 1 10 . 1 1 4 4 VAL CA C 13 62.503 0.1 . 1 . . . . 171 VAL CA . 17679 1 11 . 1 1 4 4 VAL N N 15 122.74 0.2 . 1 . . . . 171 VAL N . 17679 1 12 . 1 1 5 5 GLU H H 1 8.358 0.01 . 1 . . . . 172 GLU H . 17679 1 13 . 1 1 5 5 GLU C C 13 176.029 0.1 . 1 . . . . 172 GLU C . 17679 1 14 . 1 1 5 5 GLU CA C 13 56.398 0.1 . 1 . . . . 172 GLU CA . 17679 1 15 . 1 1 5 5 GLU N N 15 125.282 0.2 . 1 . . . . 172 GLU N . 17679 1 16 . 1 1 6 6 ALA H H 1 8.152 0.01 . 1 . . . . 173 ALA H . 17679 1 17 . 1 1 6 6 ALA C C 13 177.482 0.1 . 1 . . . . 173 ALA C . 17679 1 18 . 1 1 6 6 ALA CA C 13 52.368 0.1 . 1 . . . . 173 ALA CA . 17679 1 19 . 1 1 6 6 ALA N N 15 125.145 0.2 . 1 . . . . 173 ALA N . 17679 1 20 . 1 1 7 7 LEU H H 1 7.983 0.01 . 1 . . . . 174 LEU H . 17679 1 21 . 1 1 7 7 LEU C C 13 177.337 0.1 . 1 . . . . 174 LEU C . 17679 1 22 . 1 1 7 7 LEU CA C 13 55.28 0.1 . 1 . . . . 174 LEU CA . 17679 1 23 . 1 1 7 7 LEU N N 15 120.83 0.2 . 1 . . . . 174 LEU N . 17679 1 24 . 1 1 8 8 HIS H H 1 8.047 0.01 . 1 . . . . 175 HIS H . 17679 1 25 . 1 1 8 8 HIS CA C 13 56.078 0.1 . 1 . . . . 175 HIS CA . 17679 1 26 . 1 1 8 8 HIS N N 15 119.523 0.2 . 1 . . . . 175 HIS N . 17679 1 27 . 1 1 9 9 GLN C C 13 175.447 0.1 . 1 . . . . 176 GLN C . 17679 1 28 . 1 1 9 9 GLN CA C 13 55.764 0.1 . 1 . . . . 176 GLN CA . 17679 1 29 . 1 1 10 10 ASN H H 1 8.429 0.01 . 1 . . . . 177 ASN H . 17679 1 30 . 1 1 10 10 ASN C C 13 175.193 0.1 . 1 . . . . 177 ASN C . 17679 1 31 . 1 1 10 10 ASN CA C 13 53.206 0.1 . 1 . . . . 177 ASN CA . 17679 1 32 . 1 1 10 10 ASN N N 15 119.812 0.2 . 1 . . . . 177 ASN N . 17679 1 33 . 1 1 11 11 ARG H H 1 8.175 0.01 . 1 . . . . 178 ARG H . 17679 1 34 . 1 1 11 11 ARG C C 13 176.065 0.1 . 1 . . . . 178 ARG C . 17679 1 35 . 1 1 11 11 ARG CA C 13 56.238 0.1 . 1 . . . . 178 ARG CA . 17679 1 36 . 1 1 11 11 ARG N N 15 121.48 0.2 . 1 . . . . 178 ARG N . 17679 1 37 . 1 1 12 12 GLU H H 1 8.45 0.01 . 1 . . . . 179 GLU H . 17679 1 38 . 1 1 12 12 GLU C C 13 176.144 0.1 . 1 . . . . 179 GLU C . 17679 1 39 . 1 1 12 12 GLU CA C 13 56.573 0.1 . 1 . . . . 179 GLU CA . 17679 1 40 . 1 1 12 12 GLU N N 15 121.16 0.2 . 1 . . . . 179 GLU N . 17679 1 41 . 1 1 13 13 MET H H 1 8.253 0.01 . 1 . . . . 180 MET H . 17679 1 42 . 1 1 13 13 MET C C 13 175.667 0.1 . 1 . . . . 180 MET C . 17679 1 43 . 1 1 13 13 MET CA C 13 55.178 0.1 . 1 . . . . 180 MET CA . 17679 1 44 . 1 1 13 13 MET N N 15 120.949 0.2 . 1 . . . . 180 MET N . 17679 1 45 . 1 1 14 14 ILE H H 1 8.137 0.01 . 1 . . . . 181 ILE H . 17679 1 46 . 1 1 14 14 ILE C C 13 175.274 0.1 . 1 . . . . 181 ILE C . 17679 1 47 . 1 1 14 14 ILE CA C 13 60.643 0.1 . 1 . . . . 181 ILE CA . 17679 1 48 . 1 1 14 14 ILE N N 15 122.308 0.2 . 1 . . . . 181 ILE N . 17679 1 49 . 1 1 15 15 ASP H H 1 8.473 0.01 . 1 . . . . 182 ASP H . 17679 1 50 . 1 1 15 15 ASP CA C 13 51.399 0.1 . 1 . . . . 182 ASP CA . 17679 1 51 . 1 1 15 15 ASP N N 15 127.191 0.2 . 1 . . . . 182 ASP N . 17679 1 52 . 1 1 16 16 PRO C C 13 177.963 0.1 . 1 . . . . 183 PRO C . 17679 1 53 . 1 1 16 16 PRO CA C 13 63.898 0.1 . 1 . . . . 183 PRO CA . 17679 1 54 . 1 1 17 17 ASP H H 1 8.521 0.01 . 1 . . . . 184 ASP H . 17679 1 55 . 1 1 17 17 ASP C C 13 171.801 0.1 . 1 . . . . 184 ASP C . 17679 1 56 . 1 1 17 17 ASP CA C 13 56.415 0.1 . 1 . . . . 184 ASP CA . 17679 1 57 . 1 1 17 17 ASP N N 15 116.888 0.2 . 1 . . . . 184 ASP N . 17679 1 58 . 1 1 18 18 LYS H H 1 8.161 0.01 . 1 . . . . 185 LYS H . 17679 1 59 . 1 1 18 18 LYS C C 13 176.743 0.1 . 1 . . . . 185 LYS C . 17679 1 60 . 1 1 18 18 LYS CA C 13 56.515 0.1 . 1 . . . . 185 LYS CA . 17679 1 61 . 1 1 18 18 LYS N N 15 116.781 0.2 . 1 . . . . 185 LYS N . 17679 1 62 . 1 1 19 19 PHE H H 1 8.062 0.01 . 1 . . . . 186 PHE H . 17679 1 63 . 1 1 19 19 PHE C C 13 172.919 0.1 . 1 . . . . 186 PHE C . 17679 1 64 . 1 1 19 19 PHE CA C 13 55.584 0.1 . 1 . . . . 186 PHE CA . 17679 1 65 . 1 1 19 19 PHE N N 15 121.773 0.2 . 1 . . . . 186 PHE N . 17679 1 66 . 1 1 20 20 CYS H H 1 8.286 0.01 . 1 . . . . 187 CYS H . 17679 1 67 . 1 1 20 20 CYS C C 13 176.217 0.1 . 1 . . . . 187 CYS C . 17679 1 68 . 1 1 20 20 CYS CA C 13 57.557 0.1 . 1 . . . . 187 CYS CA . 17679 1 69 . 1 1 20 20 CYS N N 15 127.315 0.2 . 1 . . . . 187 CYS N . 17679 1 70 . 1 1 21 21 SER H H 1 8.857 0.01 . 1 . . . . 188 SER H . 17679 1 71 . 1 1 21 21 SER C C 13 174.692 0.1 . 1 . . . . 188 SER C . 17679 1 72 . 1 1 21 21 SER CA C 13 60.236 0.1 . 1 . . . . 188 SER CA . 17679 1 73 . 1 1 21 21 SER N N 15 124.37 0.2 . 1 . . . . 188 SER N . 17679 1 74 . 1 1 22 22 LEU H H 1 8.311 0.01 . 1 . . . . 189 LEU H . 17679 1 75 . 1 1 22 22 LEU C C 13 178.767 0.1 . 1 . . . . 189 LEU C . 17679 1 76 . 1 1 22 22 LEU CA C 13 57.861 0.1 . 1 . . . . 189 LEU CA . 17679 1 77 . 1 1 22 22 LEU N N 15 125.089 0.2 . 1 . . . . 189 LEU N . 17679 1 78 . 1 1 23 23 CYS H H 1 8.736 0.01 . 1 . . . . 190 CYS H . 17679 1 79 . 1 1 23 23 CYS C C 13 175.413 0.1 . 1 . . . . 190 CYS C . 17679 1 80 . 1 1 23 23 CYS CA C 13 59.999 0.1 . 1 . . . . 190 CYS CA . 17679 1 81 . 1 1 23 23 CYS N N 15 119.372 0.2 . 1 . . . . 190 CYS N . 17679 1 82 . 1 1 24 24 HIS H H 1 7.945 0.01 . 1 . . . . 191 HIS H . 17679 1 83 . 1 1 24 24 HIS C C 13 173.14 0.1 . 1 . . . . 191 HIS C . 17679 1 84 . 1 1 24 24 HIS CA C 13 56.8 0.1 . 1 . . . . 191 HIS CA . 17679 1 85 . 1 1 24 24 HIS N N 15 118.646 0.2 . 1 . . . . 191 HIS N . 17679 1 86 . 1 1 25 25 ALA H H 1 6.736 0.01 . 1 . . . . 192 ALA H . 17679 1 87 . 1 1 25 25 ALA C C 13 174.498 0.1 . 1 . . . . 192 ALA C . 17679 1 88 . 1 1 25 25 ALA CA C 13 50.05 0.1 . 1 . . . . 192 ALA CA . 17679 1 89 . 1 1 25 25 ALA N N 15 121.455 0.2 . 1 . . . . 192 ALA N . 17679 1 90 . 1 1 26 26 THR H H 1 7.938 0.01 . 1 . . . . 193 THR H . 17679 1 91 . 1 1 26 26 THR C C 13 173.445 0.1 . 1 . . . . 193 THR C . 17679 1 92 . 1 1 26 26 THR CA C 13 60.875 0.1 . 1 . . . . 193 THR CA . 17679 1 93 . 1 1 26 26 THR N N 15 115.118 0.2 . 1 . . . . 193 THR N . 17679 1 94 . 1 1 27 27 PHE H H 1 8.017 0.01 . 1 . . . . 194 PHE H . 17679 1 95 . 1 1 27 27 PHE C C 13 175.746 0.1 . 1 . . . . 194 PHE C . 17679 1 96 . 1 1 27 27 PHE CA C 13 54.42 0.1 . 1 . . . . 194 PHE CA . 17679 1 97 . 1 1 27 27 PHE N N 15 123.091 0.2 . 1 . . . . 194 PHE N . 17679 1 98 . 1 1 28 28 ASN H H 1 8.717 0.01 . 1 . . . . 195 ASN H . 17679 1 99 . 1 1 28 28 ASN C C 13 173.916 0.1 . 1 . . . . 195 ASN C . 17679 1 100 . 1 1 28 28 ASN CA C 13 53 0.1 . 1 . . . . 195 ASN CA . 17679 1 101 . 1 1 28 28 ASN N N 15 120.709 0.2 . 1 . . . . 195 ASN N . 17679 1 102 . 1 1 29 29 ASP H H 1 7.51 0.01 . 1 . . . . 196 ASP H . 17679 1 103 . 1 1 29 29 ASP CA C 13 52.109 0.1 . 1 . . . . 196 ASP CA . 17679 1 104 . 1 1 29 29 ASP N N 15 116.387 0.2 . 1 . . . . 196 ASP N . 17679 1 105 . 1 1 30 30 PRO C C 13 178.683 0.1 . 1 . . . . 197 PRO C . 17679 1 106 . 1 1 30 30 PRO CA C 13 64.65 0.1 . 1 . . . . 197 PRO CA . 17679 1 107 . 1 1 31 31 VAL H H 1 8.377 0.01 . 1 . . . . 198 VAL H . 17679 1 108 . 1 1 31 31 VAL C C 13 178.545 0.1 . 1 . . . . 198 VAL C . 17679 1 109 . 1 1 31 31 VAL CA C 13 66.2 0.1 . 1 . . . . 198 VAL CA . 17679 1 110 . 1 1 31 31 VAL N N 15 121.694 0.2 . 1 . . . . 198 VAL N . 17679 1 111 . 1 1 32 32 MET H H 1 8.135 0.01 . 1 . . . . 199 MET H . 17679 1 112 . 1 1 32 32 MET C C 13 179.337 0.1 . 1 . . . . 199 MET C . 17679 1 113 . 1 1 32 32 MET CA C 13 58.006 0.1 . 1 . . . . 199 MET CA . 17679 1 114 . 1 1 32 32 MET N N 15 120.416 0.2 . 1 . . . . 199 MET N . 17679 1 115 . 1 1 33 33 ALA H H 1 7.301 0.01 . 1 . . . . 200 ALA H . 17679 1 116 . 1 1 33 33 ALA C C 13 177.464 0.1 . 1 . . . . 200 ALA C . 17679 1 117 . 1 1 33 33 ALA CA C 13 54.512 0.1 . 1 . . . . 200 ALA CA . 17679 1 118 . 1 1 33 33 ALA N N 15 122.74 0.2 . 1 . . . . 200 ALA N . 17679 1 119 . 1 1 34 34 GLN H H 1 7.869 0.01 . 1 . . . . 201 GLN H . 17679 1 120 . 1 1 34 34 GLN C C 13 178.85 0.1 . 1 . . . . 201 GLN C . 17679 1 121 . 1 1 34 34 GLN CA C 13 58.926 0.1 . 1 . . . . 201 GLN CA . 17679 1 122 . 1 1 34 34 GLN N N 15 117.044 0.2 . 1 . . . . 201 GLN N . 17679 1 123 . 1 1 35 35 GLN H H 1 7.894 0.01 . 1 . . . . 202 GLN H . 17679 1 124 . 1 1 35 35 GLN C C 13 178.517 0.1 . 1 . . . . 202 GLN C . 17679 1 125 . 1 1 35 35 GLN CA C 13 57.852 0.1 . 1 . . . . 202 GLN CA . 17679 1 126 . 1 1 35 35 GLN N N 15 115.436 0.2 . 1 . . . . 202 GLN N . 17679 1 127 . 1 1 36 36 HIS H H 1 7.639 0.01 . 1 . . . . 203 HIS H . 17679 1 128 . 1 1 36 36 HIS C C 13 178.545 0.1 . 1 . . . . 203 HIS C . 17679 1 129 . 1 1 36 36 HIS CA C 13 59.695 0.1 . 1 . . . . 203 HIS CA . 17679 1 130 . 1 1 36 36 HIS N N 15 119.011 0.2 . 1 . . . . 203 HIS N . 17679 1 131 . 1 1 37 37 TYR H H 1 7.808 0.01 . 1 . . . . 204 TYR H . 17679 1 132 . 1 1 37 37 TYR C C 13 176.522 0.1 . 1 . . . . 204 TYR C . 17679 1 133 . 1 1 37 37 TYR CA C 13 61.75 0.1 . 1 . . . . 204 TYR CA . 17679 1 134 . 1 1 37 37 TYR N N 15 116.809 0.2 . 1 . . . . 204 TYR N . 17679 1 135 . 1 1 38 38 VAL H H 1 7.161 0.01 . 1 . . . . 205 VAL H . 17679 1 136 . 1 1 38 38 VAL C C 13 176.466 0.1 . 1 . . . . 205 VAL C . 17679 1 137 . 1 1 38 38 VAL CA C 13 60.85 0.1 . 1 . . . . 205 VAL CA . 17679 1 138 . 1 1 38 38 VAL N N 15 132.813 0.2 . 1 . . . . 205 VAL N . 17679 1 139 . 1 1 39 39 GLY H H 1 7.582 0.01 . 1 . . . . 206 GLY H . 17679 1 140 . 1 1 39 39 GLY C C 13 173.639 0.1 . 1 . . . . 206 GLY C . 17679 1 141 . 1 1 39 39 GLY CA C 13 44.657 0.1 . 1 . . . . 206 GLY CA . 17679 1 142 . 1 1 39 39 GLY N N 15 110.731 0.2 . 1 . . . . 206 GLY N . 17679 1 143 . 1 1 40 40 LYS H H 1 8.315 0.01 . 1 . . . . 207 LYS H . 17679 1 144 . 1 1 40 40 LYS C C 13 178.905 0.1 . 1 . . . . 207 LYS C . 17679 1 145 . 1 1 40 40 LYS CA C 13 59.356 0.1 . 1 . . . . 207 LYS CA . 17679 1 146 . 1 1 40 40 LYS N N 15 118.55 0.2 . 1 . . . . 207 LYS N . 17679 1 147 . 1 1 41 41 LYS H H 1 8.284 0.01 . 1 . . . . 208 LYS H . 17679 1 148 . 1 1 41 41 LYS C C 13 179.099 0.1 . 1 . . . . 208 LYS C . 17679 1 149 . 1 1 41 41 LYS CA C 13 60.41 0.1 . 1 . . . . 208 LYS CA . 17679 1 150 . 1 1 41 41 LYS N N 15 120.481 0.2 . 1 . . . . 208 LYS N . 17679 1 151 . 1 1 42 42 HIS H H 1 8.763 0.01 . 1 . . . . 209 HIS H . 17679 1 152 . 1 1 42 42 HIS C C 13 177.076 0.1 . 1 . . . . 209 HIS C . 17679 1 153 . 1 1 42 42 HIS CA C 13 60.66 0.1 . 1 . . . . 209 HIS CA . 17679 1 154 . 1 1 42 42 HIS N N 15 120.137 0.2 . 1 . . . . 209 HIS N . 17679 1 155 . 1 1 43 43 ARG H H 1 7.808 0.01 . 1 . . . . 210 ARG H . 17679 1 156 . 1 1 43 43 ARG CA C 13 59.28 0.1 . 1 . . . . 210 ARG CA . 17679 1 157 . 1 1 43 43 ARG N N 15 116.8 0.2 . 1 . . . . 210 ARG N . 17679 1 158 . 1 1 44 44 LYS H H 1 8.204 0.01 . 1 . . . . 211 LYS H . 17679 1 159 . 1 1 44 44 LYS C C 13 179.016 0.1 . 1 . . . . 211 LYS C . 17679 1 160 . 1 1 44 44 LYS CA C 13 59.306 0.1 . 1 . . . . 211 LYS CA . 17679 1 161 . 1 1 44 44 LYS N N 15 120.309 0.2 . 1 . . . . 211 LYS N . 17679 1 162 . 1 1 45 45 GLN H H 1 7.699 0.01 . 1 . . . . 212 GLN H . 17679 1 163 . 1 1 45 45 GLN C C 13 178.101 0.1 . 1 . . . . 212 GLN C . 17679 1 164 . 1 1 45 45 GLN CA C 13 57.794 0.1 . 1 . . . . 212 GLN CA . 17679 1 165 . 1 1 45 45 GLN N N 15 120.268 0.2 . 1 . . . . 212 GLN N . 17679 1 166 . 1 1 46 46 GLU H H 1 7.699 0.01 . 1 . . . . 213 GLU H . 17679 1 167 . 1 1 46 46 GLU C C 13 178.85 0.1 . 1 . . . . 213 GLU C . 17679 1 168 . 1 1 46 46 GLU CA C 13 59.538 0.1 . 1 . . . . 213 GLU CA . 17679 1 169 . 1 1 46 46 GLU N N 15 120.272 0.2 . 1 . . . . 213 GLU N . 17679 1 170 . 1 1 47 47 THR H H 1 8.097 0.01 . 1 . . . . 214 THR H . 17679 1 171 . 1 1 47 47 THR C C 13 175.718 0.1 . 1 . . . . 214 THR C . 17679 1 172 . 1 1 47 47 THR CA C 13 66.108 0.1 . 1 . . . . 214 THR CA . 17679 1 173 . 1 1 47 47 THR N N 15 115.098 0.2 . 1 . . . . 214 THR N . 17679 1 174 . 1 1 48 48 LYS H H 1 7.909 0.01 . 1 . . . . 215 LYS H . 17679 1 175 . 1 1 48 48 LYS C C 13 179.127 0.1 . 1 . . . . 215 LYS C . 17679 1 176 . 1 1 48 48 LYS CA C 13 59.306 0.1 . 1 . . . . 215 LYS CA . 17679 1 177 . 1 1 48 48 LYS N N 15 122.191 0.2 . 1 . . . . 215 LYS N . 17679 1 178 . 1 1 49 49 LEU H H 1 8.029 0.01 . 1 . . . . 216 LEU H . 17679 1 179 . 1 1 49 49 LEU C C 13 178.323 0.1 . 1 . . . . 216 LEU C . 17679 1 180 . 1 1 49 49 LEU CA C 13 59.547 0.1 . 1 . . . . 216 LEU CA . 17679 1 181 . 1 1 49 49 LEU N N 15 120.053 0.2 . 1 . . . . 216 LEU N . 17679 1 182 . 1 1 50 50 LYS H H 1 7.876 0.01 . 1 . . . . 217 LYS H . 17679 1 183 . 1 1 50 50 LYS C C 13 179.127 0.1 . 1 . . . . 217 LYS C . 17679 1 184 . 1 1 50 50 LYS CA C 13 57.196 0.1 . 1 . . . . 217 LYS CA . 17679 1 185 . 1 1 50 50 LYS N N 15 119.27 0.2 . 1 . . . . 217 LYS N . 17679 1 186 . 1 1 51 51 LEU H H 1 8.005 0.01 . 1 . . . . 218 LEU H . 17679 1 187 . 1 1 51 51 LEU C C 13 178.489 0.1 . 1 . . . . 218 LEU C . 17679 1 188 . 1 1 51 51 LEU CA C 13 56.952 0.1 . 1 . . . . 218 LEU CA . 17679 1 189 . 1 1 51 51 LEU N N 15 120.442 0.2 . 1 . . . . 218 LEU N . 17679 1 190 . 1 1 52 52 MET H H 1 7.926 0.01 . 1 . . . . 219 MET H . 17679 1 191 . 1 1 52 52 MET C C 13 177.298 0.1 . 1 . . . . 219 MET C . 17679 1 192 . 1 1 52 52 MET CA C 13 56.641 0.1 . 1 . . . . 219 MET CA . 17679 1 193 . 1 1 52 52 MET N N 15 119.682 0.2 . 1 . . . . 219 MET N . 17679 1 194 . 1 1 53 53 ALA H H 1 8.018 0.01 . 1 . . . . 220 ALA H . 17679 1 195 . 1 1 53 53 ALA C C 13 178.24 0.1 . 1 . . . . 220 ALA C . 17679 1 196 . 1 1 53 53 ALA CA C 13 53.306 0.1 . 1 . . . . 220 ALA CA . 17679 1 197 . 1 1 53 53 ALA N N 15 123.113 0.2 . 1 . . . . 220 ALA N . 17679 1 198 . 1 1 54 54 ARG H H 1 8.583 0.01 . 1 . . . . 221 ARG H . 17679 1 199 . 1 1 54 54 ARG C C 13 178.6 0.1 . 1 . . . . 221 ARG C . 17679 1 200 . 1 1 54 54 ARG CA C 13 56.864 0.1 . 1 . . . . 221 ARG CA . 17679 1 201 . 1 1 54 54 ARG N N 15 120.029 0.2 . 1 . . . . 221 ARG N . 17679 1 202 . 1 1 55 55 TYR H H 1 8.094 0.01 . 1 . . . . 222 TYR H . 17679 1 203 . 1 1 55 55 TYR C C 13 176.438 0.1 . 1 . . . . 222 TYR C . 17679 1 204 . 1 1 55 55 TYR CA C 13 58.057 0.1 . 1 . . . . 222 TYR CA . 17679 1 205 . 1 1 55 55 TYR N N 15 118.899 0.2 . 1 . . . . 222 TYR N . 17679 1 206 . 1 1 56 56 GLY H H 1 8.246 0.01 . 1 . . . . 223 GLY H . 17679 1 207 . 1 1 56 56 GLY C C 13 173.889 0.1 . 1 . . . . 223 GLY C . 17679 1 208 . 1 1 56 56 GLY CA C 13 45.433 0.1 . 1 . . . . 223 GLY CA . 17679 1 209 . 1 1 56 56 GLY N N 15 110.094 0.2 . 1 . . . . 223 GLY N . 17679 1 210 . 1 1 57 57 ARG H H 1 8.137 0.01 . 1 . . . . 224 ARG H . 17679 1 211 . 1 1 57 57 ARG C C 13 173.935 0.1 . 1 . . . . 224 ARG C . 17679 1 212 . 1 1 57 57 ARG CA C 13 61.505 0.1 . 1 . . . . 224 ARG CA . 17679 1 213 . 1 1 57 57 ARG N N 15 120.975 0.2 . 1 . . . . 224 ARG N . 17679 1 214 . 1 1 58 58 LEU H H 1 8.363 0.01 . 1 . . . . 225 LEU H . 17679 1 215 . 1 1 58 58 LEU C C 13 176.683 0.1 . 1 . . . . 225 LEU C . 17679 1 216 . 1 1 58 58 LEU CA C 13 54.824 0.1 . 1 . . . . 225 LEU CA . 17679 1 217 . 1 1 58 58 LEU N N 15 123.604 0.2 . 1 . . . . 225 LEU N . 17679 1 218 . 1 1 59 59 ALA H H 1 8.182 0.01 . 1 . . . . 226 ALA H . 17679 1 219 . 1 1 59 59 ALA C C 13 176.79 0.1 . 1 . . . . 226 ALA C . 17679 1 220 . 1 1 59 59 ALA CA C 13 52.1 0.1 . 1 . . . . 226 ALA CA . 17679 1 221 . 1 1 59 59 ALA N N 15 124.798 0.2 . 1 . . . . 226 ALA N . 17679 1 222 . 1 1 60 60 ASP H H 1 7.895 0.01 . 1 . . . . 227 ASP H . 17679 1 223 . 1 1 60 60 ASP N N 15 125.54 0.2 . 1 . . . . 227 ASP N . 17679 1 stop_ save_