data_17672 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17672 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Human Just Another Zinc Finger Protein residues 228-277 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-28 _Entry.Accession_date 2011-05-28 _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. . 17672 2 Maria Martinez-Yamout . A. . 17672 3 H. Dyson . Jane . 17672 4 Peter Wright . E. . 17672 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17672 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 32 17672 '15N chemical shifts' 31 17672 '1H chemical shifts' 31 17672 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 2011-05-28 update BMRB 'update entry citation' 17672 1 . . 2014-02-24 2011-05-28 original author 'original release' 17672 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17672 _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. . 17672 1 2 Maria Martinez-Yamout . A. . 17672 1 3 'H. Jane' Dyson . . . 17672 1 4 Peter Wright . E. . 17672 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Just Another Zinc finger' 17672 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17672 _Assembly.ID 1 _Assembly.Name 'JAZ ZF4' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 ZF4' 1 $JAZ_ZF4 A . yes native no no . . . 17672 1 2 Zinc 2 $ZN A . no native no no . . . 17672 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 14 14 SG . 2 Zinc 2 ZN 1 1 ZN . 'JAZ ZF3' 20 CYS SG . Zinc 1 ZN ZN 17672 1 2 coordination single . 1 'JAZ ZF3' 1 CYS 17 17 SG . 2 Zinc 2 ZN 1 1 ZN . 'JAZ ZF3' 23 CYS SG . Zinc 1 ZN ZN 17672 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 14 14 HG . 241 CYS SH 17672 1 . . 1 1 CYS 17 17 HG . 244 CYS SH 17672 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_JAZ_ZF4 _Entity.Sf_category entity _Entity.Sf_framecode JAZ_ZF4 _Entity.Entry_ID 17672 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name JAZ_ZF4 _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 ; PAVTDFPAGKGYPCKTCKIV LNSIEQYQAHVSGFKHKNQS PKTVASSLGQ ; _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'JAZ ZF4' _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" . . . . . . . . . . . . . . 17672 1 2 no DBJ BAD18614 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 319 100.00 100.00 7.06e-26 . . . . 17672 1 3 no DBJ BAG72878 . "zinc finger protein 346 [synthetic construct]" . . . . . 100.00 294 100.00 100.00 4.23e-26 . . . . 17672 1 4 no DBJ BAH12103 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 262 100.00 100.00 3.90e-26 . . . . 17672 1 5 no DBJ BAH12584 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 196 100.00 100.00 5.67e-27 . . . . 17672 1 6 no DBJ BAH12620 . "unnamed protein product [Homo sapiens]" . . . . . 86.00 118 100.00 100.00 7.43e-22 . . . . 17672 1 7 no EMBL CAH18475 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 4.23e-26 . . . . 17672 1 8 no EMBL CAH93198 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 310 100.00 100.00 5.01e-26 . . . . 17672 1 9 no EMBL CAL37677 . "hypothetical protein [synthetic construct]" . . . . . 100.00 294 100.00 100.00 4.23e-26 . . . . 17672 1 10 no EMBL CAL38643 . "hypothetical protein, partial [synthetic construct]" . . . . . 100.00 294 100.00 100.00 4.23e-26 . . . . 17672 1 11 no GB AAD52018 . "double-stranded RNA-binding zinc finger protein JAZ [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 4.14e-26 . . . . 17672 1 12 no GB AAH07775 . "Zinc finger protein 346 [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 4.14e-26 . . . . 17672 1 13 no GB AIC50988 . "ZNF346, partial [synthetic construct]" . . . . . 100.00 294 100.00 100.00 4.14e-26 . . . . 17672 1 14 no GB EAW85040 . "zinc finger protein 346, isoform CRA_c [Homo sapiens]" . . . . . 100.00 294 100.00 100.00 4.14e-26 . . . . 17672 1 15 no GB EQB78229 . "zinc finger protein 346 [Camelus ferus]" . . . . . 64.00 262 100.00 100.00 2.10e-13 . . . . 17672 1 16 no REF NP_001126881 . "zinc finger protein 346 [Pongo abelii]" . . . . . 100.00 310 100.00 100.00 5.01e-26 . . . . 17672 1 17 no REF NP_001295142 . "zinc finger protein 346 isoform b [Homo sapiens]" . . . . . 100.00 319 100.00 100.00 7.06e-26 . . . . 17672 1 18 no REF NP_001295143 . "zinc finger protein 346 isoform c [Homo sapiens]" . . . . . 100.00 262 100.00 100.00 3.90e-26 . . . . 17672 1 19 no REF NP_001295147 . "zinc finger protein 346 isoform f [Homo sapiens]" . . . . . 100.00 196 100.00 100.00 5.67e-27 . . . . 17672 1 20 no REF NP_001295150 . "zinc finger protein 346 isoform h [Homo sapiens]" . . . . . 86.00 118 100.00 100.00 7.43e-22 . . . . 17672 1 21 no SP Q5R4W8 . "RecName: Full=Zinc finger protein 346" . . . . . 100.00 310 100.00 100.00 5.01e-26 . . . . 17672 1 22 no SP Q9UL40 . "RecName: Full=Zinc finger protein 346; AltName: Full=Just another zinc finger protein" . . . . . 100.00 294 100.00 100.00 4.14e-26 . . . . 17672 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 17672 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 1 228 PRO . 17672 1 2 229 ALA . 17672 1 3 230 VAL . 17672 1 4 231 THR . 17672 1 5 232 ASP . 17672 1 6 233 PHE . 17672 1 7 234 PRO . 17672 1 8 235 ALA . 17672 1 9 236 GLY . 17672 1 10 237 LYS . 17672 1 11 238 GLY . 17672 1 12 239 TYR . 17672 1 13 240 PRO . 17672 1 14 241 CYS . 17672 1 15 242 LYS . 17672 1 16 243 THR . 17672 1 17 244 CYS . 17672 1 18 245 LYS . 17672 1 19 246 ILE . 17672 1 20 247 VAL . 17672 1 21 248 LEU . 17672 1 22 249 ASN . 17672 1 23 250 SER . 17672 1 24 251 ILE . 17672 1 25 252 GLU . 17672 1 26 253 GLN . 17672 1 27 254 TYR . 17672 1 28 255 GLN . 17672 1 29 256 ALA . 17672 1 30 257 HIS . 17672 1 31 258 VAL . 17672 1 32 259 SER . 17672 1 33 260 GLY . 17672 1 34 261 PHE . 17672 1 35 262 LYS . 17672 1 36 263 HIS . 17672 1 37 264 LYS . 17672 1 38 265 ASN . 17672 1 39 266 GLN . 17672 1 40 267 SER . 17672 1 41 268 PRO . 17672 1 42 269 LYS . 17672 1 43 270 THR . 17672 1 44 271 VAL . 17672 1 45 272 ALA . 17672 1 46 273 SER . 17672 1 47 274 SER . 17672 1 48 275 LEU . 17672 1 49 276 GLY . 17672 1 50 277 GLN . 17672 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 . PRO 1 1 17672 1 . ALA 2 2 17672 1 . VAL 3 3 17672 1 . THR 4 4 17672 1 . ASP 5 5 17672 1 . PHE 6 6 17672 1 . PRO 7 7 17672 1 . ALA 8 8 17672 1 . GLY 9 9 17672 1 . LYS 10 10 17672 1 . GLY 11 11 17672 1 . TYR 12 12 17672 1 . PRO 13 13 17672 1 . CYS 14 14 17672 1 . LYS 15 15 17672 1 . THR 16 16 17672 1 . CYS 17 17 17672 1 . LYS 18 18 17672 1 . ILE 19 19 17672 1 . VAL 20 20 17672 1 . LEU 21 21 17672 1 . ASN 22 22 17672 1 . SER 23 23 17672 1 . ILE 24 24 17672 1 . GLU 25 25 17672 1 . GLN 26 26 17672 1 . TYR 27 27 17672 1 . GLN 28 28 17672 1 . ALA 29 29 17672 1 . HIS 30 30 17672 1 . VAL 31 31 17672 1 . SER 32 32 17672 1 . GLY 33 33 17672 1 . PHE 34 34 17672 1 . LYS 35 35 17672 1 . HIS 36 36 17672 1 . LYS 37 37 17672 1 . ASN 38 38 17672 1 . GLN 39 39 17672 1 . SER 40 40 17672 1 . PRO 41 41 17672 1 . LYS 42 42 17672 1 . THR 43 43 17672 1 . VAL 44 44 17672 1 . ALA 45 45 17672 1 . SER 46 46 17672 1 . SER 47 47 17672 1 . LEU 48 48 17672 1 . GLY 49 49 17672 1 . GLN 50 50 17672 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17672 _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 . 17672 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 17672 _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_ZF4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17672 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 17672 _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_ZF4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a . . . . . . 17672 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 17672 _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 Tue May 31 09:39:42 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 17672 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17672 ZN [Zn++] SMILES CACTVS 3.341 17672 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17672 ZN [Zn+2] SMILES ACDLabs 10.04 17672 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17672 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17672 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 17672 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17672 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 . 17672 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17672 _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 ZF4' '[U-98% 13C; U-98% 15N]' . . 1 $JAZ_ZF4 . . 0.4 . . mM 0.04 . . . 17672 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17672 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17672 1 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17672 1 5 Tris 'natural abundance' . . . . . . 25 . . mM . . . . 17672 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17672 1 7 ZnSO4 'natural abundance' . . 2 $ZN . . 50 . . uM . . . . 17672 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 17672 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM Tris, pH 7.4, 50 mM KCl, 2 mM DTT, 50 uM ZnSO4 and 7% D2O' 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 17672 1 pH 7.4 . pH 17672 1 pressure 1 . atm 17672 1 temperature 298 . K 17672 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17672 _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' . . 17672 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17672 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17672 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17672 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17672 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 17672 _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 17672 _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 . . . 17672 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 17672 _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 . . . . . . . . . . . . . . . . 17672 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17672 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17672 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17672 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17672 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 17672 _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' . . . . . . . . 17672 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17672 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17672 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 17672 _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 'estimate from nmrview 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' . . . 17672 1 2 '3D CBCA(CO)NH' . . . 17672 1 3 '3D HNCA' . . . 17672 1 4 '3D HNCACB' . . . 17672 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 PRO CA C 13 63.43 0.1 . 1 . . . . 228 PRO CA . 17672 1 2 . 1 1 2 2 ALA H H 1 8.264 0.01 . 1 . . . . 229 ALA H . 17672 1 3 . 1 1 2 2 ALA CA C 13 52.511 0.1 . 1 . . . . 229 ALA CA . 17672 1 4 . 1 1 2 2 ALA N N 15 122.779 0.2 . 1 . . . . 229 ALA N . 17672 1 5 . 1 1 3 3 VAL H H 1 7.838 0.01 . 1 . . . . 230 VAL H . 17672 1 6 . 1 1 3 3 VAL CA C 13 62.4 0.1 . 1 . . . . 230 VAL CA . 17672 1 7 . 1 1 3 3 VAL N N 15 118.561 0.2 . 1 . . . . 230 VAL N . 17672 1 8 . 1 1 4 4 THR H H 1 7.857 0.01 . 1 . . . . 231 THR H . 17672 1 9 . 1 1 4 4 THR CA C 13 62.160 0.1 . 1 . . . . 231 THR CA . 17672 1 10 . 1 1 4 4 THR N N 15 116.029 0.2 . 1 . . . . 231 THR N . 17672 1 11 . 1 1 5 5 ASP H H 1 7.951 0.01 . 1 . . . . 232 ASP H . 17672 1 12 . 1 1 5 5 ASP CA C 13 54.084 0.1 . 1 . . . . 232 ASP CA . 17672 1 13 . 1 1 5 5 ASP N N 15 122.311 0.2 . 1 . . . . 232 ASP N . 17672 1 14 . 1 1 6 6 PHE H H 1 7.935 0.01 . 1 . . . . 233 PHE H . 17672 1 15 . 1 1 6 6 PHE CA C 13 55.476 0.1 . 1 . . . . 233 PHE CA . 17672 1 16 . 1 1 6 6 PHE N N 15 120.904 0.2 . 1 . . . . 233 PHE N . 17672 1 17 . 1 1 8 8 ALA H H 1 8.237 0.01 . 1 . . . . 235 ALA H . 17672 1 18 . 1 1 8 8 ALA CA C 13 52.576 0.1 . 1 . . . . 235 ALA CA . 17672 1 19 . 1 1 8 8 ALA N N 15 124.373 0.2 . 1 . . . . 235 ALA N . 17672 1 20 . 1 1 9 9 GLY H H 1 8.178 0.01 . 1 . . . . 236 GLY H . 17672 1 21 . 1 1 9 9 GLY CA C 13 45.109 0.1 . 1 . . . . 236 GLY CA . 17672 1 22 . 1 1 9 9 GLY N N 15 108.341 0.2 . 1 . . . . 236 GLY N . 17672 1 23 . 1 1 10 10 LYS H H 1 7.783 0.01 . 1 . . . . 237 LYS H . 17672 1 24 . 1 1 10 10 LYS CA C 13 55.543 0.1 . 1 . . . . 237 LYS CA . 17672 1 25 . 1 1 10 10 LYS N N 15 120.154 0.2 . 1 . . . . 237 LYS N . 17672 1 26 . 1 1 11 11 GLY H H 1 7.807 0.01 . 1 . . . . 238 GLY H . 17672 1 27 . 1 1 11 11 GLY CA C 13 44.209 0.1 . 1 . . . . 238 GLY CA . 17672 1 28 . 1 1 11 11 GLY N N 15 108.154 0.2 . 1 . . . . 238 GLY N . 17672 1 29 . 1 1 12 12 TYR H H 1 8.237 0.01 . 1 . . . . 239 TYR H . 17672 1 30 . 1 1 12 12 TYR CA C 13 55.209 0.1 . 1 . . . . 239 TYR CA . 17672 1 31 . 1 1 12 12 TYR N N 15 118.654 0.2 . 1 . . . . 239 TYR N . 17672 1 32 . 1 1 19 19 ILE H H 1 7.474 0.01 . 1 . . . . 246 ILE H . 17672 1 33 . 1 1 19 19 ILE CA C 13 59.009 0.1 . 1 . . . . 246 ILE CA . 17672 1 34 . 1 1 19 19 ILE N N 15 117.623 0.2 . 1 . . . . 246 ILE N . 17672 1 35 . 1 1 20 20 VAL H H 1 8.493 0.01 . 1 . . . . 247 VAL H . 17672 1 36 . 1 1 20 20 VAL CA C 13 62.776 0.1 . 1 . . . . 247 VAL CA . 17672 1 37 . 1 1 20 20 VAL N N 15 123.061 0.2 . 1 . . . . 247 VAL N . 17672 1 38 . 1 1 22 22 ASN H H 1 8.546 0.01 . 1 . . . . 249 ASN H . 17672 1 39 . 1 1 22 22 ASN CA C 13 54.743 0.1 . 1 . . . . 249 ASN CA . 17672 1 40 . 1 1 22 22 ASN N N 15 116.498 0.2 . 1 . . . . 249 ASN N . 17672 1 41 . 1 1 23 23 SER H H 1 7.327 0.01 . 1 . . . . 250 SER H . 17672 1 42 . 1 1 23 23 SER CA C 13 61.475 0.1 . 1 . . . . 250 SER CA . 17672 1 43 . 1 1 23 23 SER N N 15 110.591 0.2 . 1 . . . . 250 SER N . 17672 1 44 . 1 1 24 24 ILE H H 1 8.688 0.01 . 1 . . . . 251 ILE H . 17672 1 45 . 1 1 24 24 ILE CA C 13 62.442 0.1 . 1 . . . . 251 ILE CA . 17672 1 46 . 1 1 24 24 ILE N N 15 123.623 0.2 . 1 . . . . 251 ILE N . 17672 1 47 . 1 1 25 25 GLU H H 1 8.688 0.01 . 1 . . . . 252 GLU H . 17672 1 48 . 1 1 25 25 GLU CA C 13 60.432 0.1 . 1 . . . . 252 GLU CA . 17672 1 49 . 1 1 25 25 GLU N N 15 119.525 0.2 . 1 . . . . 252 GLU N . 17672 1 50 . 1 1 26 26 GLN H H 1 7.816 0.01 . 1 . . . . 253 GLN H . 17672 1 51 . 1 1 26 26 GLN CA C 13 58.476 0.1 . 1 . . . . 253 GLN CA . 17672 1 52 . 1 1 26 26 GLN N N 15 119.404 0.2 . 1 . . . . 253 GLN N . 17672 1 53 . 1 1 27 27 TYR H H 1 8.32 0.01 . 1 . . . . 254 TYR H . 17672 1 54 . 1 1 27 27 TYR CA C 13 62.972 0.1 . 1 . . . . 254 TYR CA . 17672 1 55 . 1 1 27 27 TYR N N 15 123.436 0.2 . 1 . . . . 254 TYR N . 17672 1 56 . 1 1 28 28 GLN H H 1 8.704 0.01 . 1 . . . . 255 GLN H . 17672 1 57 . 1 1 28 28 GLN CA C 13 58.542 0.1 . 1 . . . . 255 GLN CA . 17672 1 58 . 1 1 28 28 GLN N N 15 118.842 0.2 . 1 . . . . 255 GLN N . 17672 1 59 . 1 1 29 29 ALA H H 1 7.675 0.01 . 1 . . . . 256 ALA H . 17672 1 60 . 1 1 29 29 ALA CA C 13 54.576 0.1 . 1 . . . . 256 ALA CA . 17672 1 61 . 1 1 29 29 ALA N N 15 121.092 0.2 . 1 . . . . 256 ALA N . 17672 1 62 . 1 1 32 32 SER H H 1 8.016 0.01 . 1 . . . . 259 SER H . 17672 1 63 . 1 1 32 32 SER CA C 13 58.746 0.1 . 1 . . . . 259 SER CA . 17672 1 64 . 1 1 32 32 SER N N 15 115.185 0.2 . 1 . . . . 259 SER N . 17672 1 65 . 1 1 33 33 GLY H H 1 7.261 0.01 . 1 . . . . 260 GLY H . 17672 1 66 . 1 1 33 33 GLY CA C 13 44.443 0.1 . 1 . . . . 260 GLY CA . 17672 1 67 . 1 1 33 33 GLY N N 15 109.373 0.2 . 1 . . . . 260 GLY N . 17672 1 68 . 1 1 42 42 LYS H H 1 8.266 0.01 . 1 . . . . 269 LYS H . 17672 1 69 . 1 1 42 42 LYS CA C 13 56.176 0.1 . 1 . . . . 269 LYS CA . 17672 1 70 . 1 1 42 42 LYS N N 15 121.373 0.2 . 1 . . . . 269 LYS N . 17672 1 71 . 1 1 43 43 THR H H 1 7.996 0.01 . 1 . . . . 270 THR H . 17672 1 72 . 1 1 43 43 THR CA C 13 61.742 0.1 . 1 . . . . 270 THR CA . 17672 1 73 . 1 1 43 43 THR N N 15 115.842 0.2 . 1 . . . . 270 THR N . 17672 1 74 . 1 1 44 44 VAL H H 1 8.078 0.01 . 1 . . . . 271 VAL H . 17672 1 75 . 1 1 44 44 VAL CA C 13 62.242 0.1 . 1 . . . . 271 VAL CA . 17672 1 76 . 1 1 44 44 VAL N N 15 122.873 0.2 . 1 . . . . 271 VAL N . 17672 1 77 . 1 1 45 45 ALA H H 1 8.293 0.01 . 1 . . . . 272 ALA H . 17672 1 78 . 1 1 45 45 ALA CA C 13 52.543 0.1 . 1 . . . . 272 ALA CA . 17672 1 79 . 1 1 45 45 ALA N N 15 127.842 0.2 . 1 . . . . 272 ALA N . 17672 1 80 . 1 1 46 46 SER H H 1 8.153 0.01 . 1 . . . . 273 SER H . 17672 1 81 . 1 1 46 46 SER CA C 13 58.448 0.1 . 1 . . . . 273 SER CA . 17672 1 82 . 1 1 46 46 SER N N 15 115.118 0.2 . 1 . . . . 273 SER N . 17672 1 83 . 1 1 47 47 SER H H 1 8.205 0.01 . 1 . . . . 274 SER H . 17672 1 84 . 1 1 47 47 SER CA C 13 54.382 0.1 . 1 . . . . 274 SER CA . 17672 1 85 . 1 1 47 47 SER N N 15 117.922 0.2 . 1 . . . . 274 SER N . 17672 1 86 . 1 1 48 48 LEU H H 1 8.048 0.01 . 1 . . . . 275 LEU H . 17672 1 87 . 1 1 48 48 LEU CA C 13 55.384 0.1 . 1 . . . . 275 LEU CA . 17672 1 88 . 1 1 48 48 LEU N N 15 123.368 0.2 . 1 . . . . 275 LEU N . 17672 1 89 . 1 1 49 49 GLY H H 1 8.245 0.01 . 1 . . . . 276 GLY H . 17672 1 90 . 1 1 49 49 GLY CA C 13 45.128 0.1 . 1 . . . . 276 GLY CA . 17672 1 91 . 1 1 49 49 GLY N N 15 109.936 0.2 . 1 . . . . 276 GLY N . 17672 1 92 . 1 1 50 50 GLN H H 1 7.665 0.01 . 1 . . . . 277 GLN H . 17672 1 93 . 1 1 50 50 GLN CA C 13 56.947 0.1 . 1 . . . . 277 GLN CA . 17672 1 94 . 1 1 50 50 GLN N N 15 124.464 0.2 . 1 . . . . 277 GLN N . 17672 1 stop_ save_