data_17385 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17385 _Entry.Title ; TEX13A RanBP2 zinc finger backbone chemical shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-23 _Entry.Accession_date 2010-12-23 _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 Robyn Mansfield . E. . 17385 2 Joel Mackay . P. . 17385 3 Cuong Nguyen . D. . 17385 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17385 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 71 17385 '15N chemical shifts' 33 17385 '1H chemical shifts' 33 17385 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 . . 2011-03-24 2010-12-23 update BMRB 'update entry citation' 17385 1 . . 2011-01-28 2010-12-23 original author 'original release' 17385 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17385 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21256132 _Citation.Full_citation . _Citation.Title 'Characterization of a Family of RanBP2-Type Zinc Fingers that Can Recognize Single-Stranded RNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 407 _Citation.Journal_issue 2 _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 273 _Citation.Page_last 283 _Citation.Year 2011 _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 Cuong Nguyen . D. . 17385 1 2 Robyn Mansfield . E. . 17385 1 3 Wilfred Leung . . . 17385 1 4 Paula Vaz . M. . 17385 1 5 Fionna Loughlin . E. . 17385 1 6 Richard Grant . P. . 17385 1 7 Joel Mackay . P. . 17385 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RanBP2 17385 1 RNA-binding 17385 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17385 _Assembly.ID 1 _Assembly.Name 'TEX13A ZnF' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'protein component' 1 $TEX13A_ZnF A . yes native no no . . . 17385 1 2 'zinc ion' 2 $ZN A . no native no no . . . 17385 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID RNA-binding 17385 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TEX13A_ZnF _Entity.Sf_category entity _Entity.Sf_framecode TEX13A_ZnF _Entity.Entry_ID 17385 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TEX13A_ZnF _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 ; GSRPPVYRRPGDWDCPWCNA VNFSRRDTCFDCGKGIWLQK PH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal GS is non-native, resulting from cleavage of a GST tag.' _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 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 no GB AAH42547 . "TEX13A protein [Homo sapiens]" . . . . . 95.24 409 100.00 100.00 3.51e-22 . . . . 17385 1 2 no GB AAI08735 . "Testis expressed 13A [Homo sapiens]" . . . . . 95.24 409 100.00 100.00 3.51e-22 . . . . 17385 1 3 no GB AAK31976 . "testis protein TEX13A [Homo sapiens]" . . . . . 95.24 409 100.00 100.00 3.51e-22 . . . . 17385 1 4 no GB ABZ92542 . "testis expressed 13A [synthetic construct]" . . . . . 95.24 409 100.00 100.00 3.51e-22 . . . . 17385 1 5 no GB ADZ15641 . "testis expressed 13A [synthetic construct]" . . . . . 95.24 409 100.00 100.00 3.51e-22 . . . . 17385 1 6 no REF NP_001278206 . "testis-expressed sequence 13A protein [Homo sapiens]" . . . . . 95.24 409 100.00 100.00 3.51e-22 . . . . 17385 1 7 no REF NP_112564 . "testis-expressed sequence 13A protein [Homo sapiens]" . . . . . 95.24 409 100.00 100.00 3.51e-22 . . . . 17385 1 8 no REF XP_001092375 . "PREDICTED: testis-expressed sequence 13A protein-like [Macaca mulatta]" . . . . . 95.24 409 97.50 100.00 7.25e-22 . . . . 17385 1 9 no REF XP_002831997 . "PREDICTED: testis-expressed sequence 13A protein [Pongo abelii]" . . . . . 95.24 410 97.50 100.00 1.56e-21 . . . . 17385 1 10 no REF XP_003317653 . "PREDICTED: testis-expressed sequence 13A protein [Pan troglodytes]" . . . . . 95.24 409 97.50 100.00 4.05e-22 . . . . 17385 1 11 no SP Q9BXU3 . "RecName: Full=Testis-expressed sequence 13A protein" . . . . . 95.24 409 100.00 100.00 3.51e-22 . . . . 17385 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 1 368 GLY . 17385 1 2 369 SER . 17385 1 3 370 ARG . 17385 1 4 371 PRO . 17385 1 5 372 PRO . 17385 1 6 373 VAL . 17385 1 7 374 TYR . 17385 1 8 375 ARG . 17385 1 9 376 ARG . 17385 1 10 377 PRO . 17385 1 11 378 GLY . 17385 1 12 379 ASP . 17385 1 13 380 TRP . 17385 1 14 381 ASP . 17385 1 15 382 CYS . 17385 1 16 383 PRO . 17385 1 17 384 TRP . 17385 1 18 385 CYS . 17385 1 19 386 ASN . 17385 1 20 387 ALA . 17385 1 21 388 VAL . 17385 1 22 389 ASN . 17385 1 23 390 PHE . 17385 1 24 391 SER . 17385 1 25 392 ARG . 17385 1 26 393 ARG . 17385 1 27 394 ASP . 17385 1 28 395 THR . 17385 1 29 396 CYS . 17385 1 30 397 PHE . 17385 1 31 398 ASP . 17385 1 32 399 CYS . 17385 1 33 400 GLY . 17385 1 34 401 LYS . 17385 1 35 402 GLY . 17385 1 36 403 ILE . 17385 1 37 404 TRP . 17385 1 38 405 LEU . 17385 1 39 406 GLN . 17385 1 40 407 LYS . 17385 1 41 408 PRO . 17385 1 42 409 HIS . 17385 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17385 1 . SER 2 2 17385 1 . ARG 3 3 17385 1 . PRO 4 4 17385 1 . PRO 5 5 17385 1 . VAL 6 6 17385 1 . TYR 7 7 17385 1 . ARG 8 8 17385 1 . ARG 9 9 17385 1 . PRO 10 10 17385 1 . GLY 11 11 17385 1 . ASP 12 12 17385 1 . TRP 13 13 17385 1 . ASP 14 14 17385 1 . CYS 15 15 17385 1 . PRO 16 16 17385 1 . TRP 17 17 17385 1 . CYS 18 18 17385 1 . ASN 19 19 17385 1 . ALA 20 20 17385 1 . VAL 21 21 17385 1 . ASN 22 22 17385 1 . PHE 23 23 17385 1 . SER 24 24 17385 1 . ARG 25 25 17385 1 . ARG 26 26 17385 1 . ASP 27 27 17385 1 . THR 28 28 17385 1 . CYS 29 29 17385 1 . PHE 30 30 17385 1 . ASP 31 31 17385 1 . CYS 32 32 17385 1 . GLY 33 33 17385 1 . LYS 34 34 17385 1 . GLY 35 35 17385 1 . ILE 36 36 17385 1 . TRP 37 37 17385 1 . LEU 38 38 17385 1 . GLN 39 39 17385 1 . LYS 40 40 17385 1 . PRO 41 41 17385 1 . HIS 42 42 17385 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17385 _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 . 17385 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 17385 _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 $TEX13A_ZnF . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17385 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 17385 _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 $TEX13A_ZnF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 17385 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 17385 _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 2011-06-04 _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 Fri Dec 9 11:09:24 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=1S/Zn/q+2 InChI InChI 1.03 17385 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17385 ZN [Zn++] SMILES CACTVS 3.341 17385 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17385 ZN [Zn+2] SMILES ACDLabs 10.04 17385 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17385 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17385 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 17385 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17385 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 . 17385 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17385 _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 'TEX13A ZnF' '[U-100% 13C; U-100% 15N]' . . 1 $TEX13A_ZnF . . 1 . . mM . . . . 17385 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17385 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17385 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17385 1 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 17385 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17385 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17385 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 17385 _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' 0.125 . M 17385 1 pH 6.5 . pH 17385 1 pressure 1 . atm 17385 1 temperature 298 . K 17385 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17385 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17385 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17385 1 processing 17385 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17385 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17385 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17385 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 17385 _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 17385 _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 . . . 17385 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 17385 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17385 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17385 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17385 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17385 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17385 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 17385 _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 . . . 1 $entry_citation . . 1 $entry_citation 17385 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17385 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17385 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 17385 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17385 1 3 '3D CBCA(CO)NH' . . . 17385 1 4 '3D HNCACB' . . . 17385 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 5 5 PRO CA C 13 62.889 0.037 . 1 . . . . 372 P CA . 17385 1 2 . 1 1 5 5 PRO CB C 13 31.999 0.065 . 1 . . . . 372 P CB . 17385 1 3 . 1 1 6 6 VAL H H 1 8.064 0.008 . 1 . . . . 373 V HN . 17385 1 4 . 1 1 6 6 VAL CA C 13 62.096 0.008 . 1 . . . . 373 V CA . 17385 1 5 . 1 1 6 6 VAL CB C 13 33.083 0.005 . 1 . . . . 373 V CB . 17385 1 6 . 1 1 6 6 VAL N N 15 120.184 0.024 . 1 . . . . 373 V N . 17385 1 7 . 1 1 7 7 TYR H H 1 8.272 0.020 . 1 . . . . 374 Y HN . 17385 1 8 . 1 1 7 7 TYR CA C 13 57.618 0.091 . 1 . . . . 374 Y CA . 17385 1 9 . 1 1 7 7 TYR CB C 13 38.857 0.043 . 1 . . . . 374 Y CB . 17385 1 10 . 1 1 7 7 TYR N N 15 125.060 0.029 . 1 . . . . 374 Y N . 17385 1 11 . 1 1 8 8 ARG H H 1 8.118 0.006 . 1 . . . . 375 R HN . 17385 1 12 . 1 1 8 8 ARG CA C 13 55.630 0.046 . 1 . . . . 375 R CA . 17385 1 13 . 1 1 8 8 ARG CB C 13 31.732 0.019 . 1 . . . . 375 R CB . 17385 1 14 . 1 1 8 8 ARG N N 15 124.895 0.023 . 1 . . . . 375 R N . 17385 1 15 . 1 1 9 9 ARG H H 1 8.808 0.007 . 1 . . . . 376 R HN . 17385 1 16 . 1 1 9 9 ARG CA C 13 54.011 0.000 . 1 . . . . 376 R CA . 17385 1 17 . 1 1 9 9 ARG CB C 13 30.007 0.000 . 1 . . . . 376 R CB . 17385 1 18 . 1 1 9 9 ARG N N 15 126.398 0.013 . 1 . . . . 376 R N . 17385 1 19 . 1 1 11 11 GLY CA C 13 45.275 0.025 . 1 . . . . 378 G CA . 17385 1 20 . 1 1 12 12 ASP H H 1 7.949 0.001 . 1 . . . . 379 D HN . 17385 1 21 . 1 1 12 12 ASP CA C 13 55.954 0.116 . 1 . . . . 379 D CA . 17385 1 22 . 1 1 12 12 ASP CB C 13 40.896 0.004 . 1 . . . . 379 D CB . 17385 1 23 . 1 1 12 12 ASP N N 15 123.361 0.012 . 1 . . . . 379 D N . 17385 1 24 . 1 1 13 13 TRP H H 1 8.757 0.004 . 1 . . . . 380 W HN . 17385 1 25 . 1 1 13 13 TRP CA C 13 54.080 0.035 . 1 . . . . 380 W CA . 17385 1 26 . 1 1 13 13 TRP CB C 13 31.540 0.035 . 1 . . . . 380 W CB . 17385 1 27 . 1 1 13 13 TRP N N 15 119.957 0.013 . 1 . . . . 380 W N . 17385 1 28 . 1 1 14 14 ASP H H 1 8.613 0.006 . 1 . . . . 381 D HN . 17385 1 29 . 1 1 14 14 ASP CA C 13 52.887 0.030 . 1 . . . . 381 D CA . 17385 1 30 . 1 1 14 14 ASP CB C 13 41.821 0.010 . 1 . . . . 381 D CB . 17385 1 31 . 1 1 14 14 ASP N N 15 120.981 0.042 . 1 . . . . 381 D N . 17385 1 32 . 1 1 15 15 CYS H H 1 9.357 0.003 . 1 . . . . 382 C HN . 17385 1 33 . 1 1 15 15 CYS CA C 13 57.211 0.000 . 1 . . . . 382 C CA . 17385 1 34 . 1 1 15 15 CYS CB C 13 31.804 0.000 . 1 . . . . 382 C CB . 17385 1 35 . 1 1 15 15 CYS N N 15 129.411 0.029 . 1 . . . . 382 C N . 17385 1 36 . 1 1 16 16 PRO CA C 13 63.986 0.002 . 1 . . . . 383 P CA . 17385 1 37 . 1 1 16 16 PRO CB C 13 31.788 0.027 . 1 . . . . 383 P CB . 17385 1 38 . 1 1 17 17 TRP H H 1 9.173 0.001 . 1 . . . . 384 W HN . 17385 1 39 . 1 1 17 17 TRP CA C 13 59.023 0.108 . 1 . . . . 384 W CA . 17385 1 40 . 1 1 17 17 TRP CB C 13 30.152 0.018 . 1 . . . . 384 W CB . 17385 1 41 . 1 1 17 17 TRP N N 15 122.938 0.031 . 1 . . . . 384 W N . 17385 1 42 . 1 1 18 18 CYS H H 1 8.842 0.005 . 1 . . . . 385 C HN . 17385 1 43 . 1 1 18 18 CYS CA C 13 58.862 0.099 . 1 . . . . 385 C CA . 17385 1 44 . 1 1 18 18 CYS CB C 13 32.994 0.009 . 1 . . . . 385 C CB . 17385 1 45 . 1 1 18 18 CYS N N 15 119.955 0.044 . 1 . . . . 385 C N . 17385 1 46 . 1 1 19 19 ASN H H 1 8.022 0.001 . 1 . . . . 386 N HN . 17385 1 47 . 1 1 19 19 ASN CA C 13 55.898 0.040 . 1 . . . . 386 N CA . 17385 1 48 . 1 1 19 19 ASN CB C 13 38.031 0.010 . 1 . . . . 386 N CB . 17385 1 49 . 1 1 19 19 ASN N N 15 117.525 0.026 . 1 . . . . 386 N N . 17385 1 50 . 1 1 20 20 ALA H H 1 8.843 0.002 . 1 . . . . 387 A HN . 17385 1 51 . 1 1 20 20 ALA CA C 13 53.802 0.035 . 1 . . . . 387 A CA . 17385 1 52 . 1 1 20 20 ALA CB C 13 20.650 0.006 . 1 . . . . 387 A CB . 17385 1 53 . 1 1 20 20 ALA N N 15 126.757 0.017 . 1 . . . . 387 A N . 17385 1 54 . 1 1 21 21 VAL H H 1 8.396 0.005 . 1 . . . . 388 V HN . 17385 1 55 . 1 1 21 21 VAL CA C 13 62.622 0.036 . 1 . . . . 388 V CA . 17385 1 56 . 1 1 21 21 VAL CB C 13 31.724 0.068 . 1 . . . . 388 V CB . 17385 1 57 . 1 1 21 21 VAL N N 15 122.231 0.032 . 1 . . . . 388 V N . 17385 1 58 . 1 1 22 22 ASN H H 1 9.034 0.006 . 1 . . . . 389 N HN . 17385 1 59 . 1 1 22 22 ASN CA C 13 52.263 0.055 . 1 . . . . 389 N CA . 17385 1 60 . 1 1 22 22 ASN CB C 13 43.539 0.032 . 1 . . . . 389 N CB . 17385 1 61 . 1 1 22 22 ASN N N 15 126.713 0.025 . 1 . . . . 389 N N . 17385 1 62 . 1 1 23 23 PHE H H 1 7.902 0.006 . 1 . . . . 390 F HN . 17385 1 63 . 1 1 23 23 PHE CA C 13 56.623 0.058 . 1 . . . . 390 F CA . 17385 1 64 . 1 1 23 23 PHE CB C 13 39.974 0.097 . 1 . . . . 390 F CB . 17385 1 65 . 1 1 23 23 PHE N N 15 118.875 0.055 . 1 . . . . 390 F N . 17385 1 66 . 1 1 24 24 SER H H 1 8.440 0.002 . 1 . . . . 391 S HN . 17385 1 67 . 1 1 24 24 SER CA C 13 60.747 0.049 . 1 . . . . 391 S CA . 17385 1 68 . 1 1 24 24 SER CB C 13 63.501 0.038 . 1 . . . . 391 S CB . 17385 1 69 . 1 1 24 24 SER N N 15 117.949 0.036 . 1 . . . . 391 S N . 17385 1 70 . 1 1 25 25 ARG H H 1 6.893 0.004 . 1 . . . . 392 R HN . 17385 1 71 . 1 1 25 25 ARG CA C 13 56.634 0.071 . 1 . . . . 392 R CA . 17385 1 72 . 1 1 25 25 ARG CB C 13 29.608 0.006 . 1 . . . . 392 R CB . 17385 1 73 . 1 1 25 25 ARG N N 15 116.729 0.032 . 1 . . . . 392 R N . 17385 1 74 . 1 1 26 26 ARG H H 1 8.346 0.004 . 1 . . . . 393 R HN . 17385 1 75 . 1 1 26 26 ARG CA C 13 56.984 0.089 . 1 . . . . 393 R CA . 17385 1 76 . 1 1 26 26 ARG CB C 13 32.135 0.023 . 1 . . . . 393 R CB . 17385 1 77 . 1 1 26 26 ARG N N 15 120.498 0.022 . 1 . . . . 393 R N . 17385 1 78 . 1 1 27 27 ASP H H 1 8.634 0.003 . 1 . . . . 394 D HN . 17385 1 79 . 1 1 27 27 ASP CA C 13 53.934 0.095 . 1 . . . . 394 D CA . 17385 1 80 . 1 1 27 27 ASP CB C 13 41.462 0.027 . 1 . . . . 394 D CB . 17385 1 81 . 1 1 27 27 ASP N N 15 118.894 0.039 . 1 . . . . 394 D N . 17385 1 82 . 1 1 28 28 THR H H 1 7.699 0.002 . 1 . . . . 395 T HN . 17385 1 83 . 1 1 28 28 THR CA C 13 59.508 0.067 . 1 . . . . 395 T CA . 17385 1 84 . 1 1 28 28 THR CB C 13 72.632 0.005 . 1 . . . . 395 T CB . 17385 1 85 . 1 1 28 28 THR N N 15 110.560 0.037 . 1 . . . . 395 T N . 17385 1 86 . 1 1 29 29 CYS H H 1 8.673 0.004 . 1 . . . . 396 C HN . 17385 1 87 . 1 1 29 29 CYS CA C 13 58.788 0.046 . 1 . . . . 396 C CA . 17385 1 88 . 1 1 29 29 CYS CB C 13 31.588 0.008 . 1 . . . . 396 C CB . 17385 1 89 . 1 1 29 29 CYS N N 15 127.058 0.027 . 1 . . . . 396 C N . 17385 1 90 . 1 1 30 30 PHE H H 1 9.518 0.007 . 1 . . . . 397 F HN . 17385 1 91 . 1 1 30 30 PHE CA C 13 60.245 0.031 . 1 . . . . 397 F CA . 17385 1 92 . 1 1 30 30 PHE CB C 13 38.601 0.020 . 1 . . . . 397 F CB . 17385 1 93 . 1 1 30 30 PHE N N 15 131.382 0.033 . 1 . . . . 397 F N . 17385 1 94 . 1 1 31 31 ASP H H 1 8.533 0.006 . 1 . . . . 398 D HN . 17385 1 95 . 1 1 31 31 ASP CA C 13 55.562 0.076 . 1 . . . . 398 D CA . 17385 1 96 . 1 1 31 31 ASP CB C 13 42.745 0.019 . 1 . . . . 398 D CB . 17385 1 97 . 1 1 31 31 ASP N N 15 125.099 0.051 . 1 . . . . 398 D N . 17385 1 98 . 1 1 32 32 CYS H H 1 8.380 0.001 . 1 . . . . 399 C HN . 17385 1 99 . 1 1 32 32 CYS CA C 13 59.354 0.051 . 1 . . . . 399 C CA . 17385 1 100 . 1 1 32 32 CYS CB C 13 31.856 0.015 . 1 . . . . 399 C CB . 17385 1 101 . 1 1 32 32 CYS N N 15 117.892 0.038 . 1 . . . . 399 C N . 17385 1 102 . 1 1 33 33 GLY H H 1 7.457 0.002 . 1 . . . . 400 G HN . 17385 1 103 . 1 1 33 33 GLY CA C 13 46.328 0.011 . 1 . . . . 400 G CA . 17385 1 104 . 1 1 33 33 GLY N N 15 111.729 0.032 . 1 . . . . 400 G N . 17385 1 105 . 1 1 34 34 LYS H H 1 8.206 0.001 . 1 . . . . 401 K HN . 17385 1 106 . 1 1 34 34 LYS CA C 13 57.282 0.023 . 1 . . . . 401 K CA . 17385 1 107 . 1 1 34 34 LYS CB C 13 33.326 0.048 . 1 . . . . 401 K CB . 17385 1 108 . 1 1 34 34 LYS N N 15 121.968 0.032 . 1 . . . . 401 K N . 17385 1 109 . 1 1 35 35 GLY H H 1 8.275 0.006 . 1 . . . . 402 G HN . 17385 1 110 . 1 1 35 35 GLY CA C 13 44.754 0.004 . 1 . . . . 402 G CA . 17385 1 111 . 1 1 35 35 GLY N N 15 110.163 0.028 . 1 . . . . 402 G N . 17385 1 112 . 1 1 36 36 ILE H H 1 7.957 0.004 . 1 . . . . 403 I HN . 17385 1 113 . 1 1 36 36 ILE CA C 13 62.152 0.028 . 1 . . . . 403 I CA . 17385 1 114 . 1 1 36 36 ILE CB C 13 38.597 0.063 . 1 . . . . 403 I CB . 17385 1 115 . 1 1 36 36 ILE N N 15 120.972 0.016 . 1 . . . . 403 I N . 17385 1 116 . 1 1 37 37 TRP H H 1 7.333 0.004 . 1 . . . . 404 W HN . 17385 1 117 . 1 1 37 37 TRP CA C 13 57.102 0.076 . 1 . . . . 404 W CA . 17385 1 118 . 1 1 37 37 TRP CB C 13 28.630 0.052 . 1 . . . . 404 W CB . 17385 1 119 . 1 1 37 37 TRP N N 15 119.706 0.105 . 1 . . . . 404 W N . 17385 1 120 . 1 1 38 38 LEU H H 1 7.461 0.002 . 1 . . . . 405 L HN . 17385 1 121 . 1 1 38 38 LEU CA C 13 54.957 0.040 . 1 . . . . 405 L CA . 17385 1 122 . 1 1 38 38 LEU CB C 13 42.017 0.015 . 1 . . . . 405 L CB . 17385 1 123 . 1 1 38 38 LEU N N 15 124.331 0.015 . 1 . . . . 405 L N . 17385 1 124 . 1 1 39 39 GLN H H 1 8.201 0.007 . 1 . . . . 406 Q HN . 17385 1 125 . 1 1 39 39 GLN CA C 13 55.592 0.043 . 1 . . . . 406 Q CA . 17385 1 126 . 1 1 39 39 GLN CB C 13 29.634 0.007 . 1 . . . . 406 Q CB . 17385 1 127 . 1 1 39 39 GLN N N 15 121.660 0.022 . 1 . . . . 406 Q N . 17385 1 128 . 1 1 40 40 LYS H H 1 8.308 0.010 . 1 . . . . 407 K HN . 17385 1 129 . 1 1 40 40 LYS CA C 13 54.300 0.000 . 1 . . . . 407 K CA . 17385 1 130 . 1 1 40 40 LYS CB C 13 32.519 0.000 . 1 . . . . 407 K CB . 17385 1 131 . 1 1 40 40 LYS N N 15 124.786 0.020 . 1 . . . . 407 K N . 17385 1 132 . 1 1 41 41 PRO CA C 13 63.468 0.014 . 1 . . . . 408 P CA . 17385 1 133 . 1 1 41 41 PRO CB C 13 31.931 0.001 . 1 . . . . 408 P CB . 17385 1 134 . 1 1 42 42 HIS H H 1 7.894 0.002 . 1 . . . . 409 H HN . 17385 1 135 . 1 1 42 42 HIS CA C 13 57.375 0.000 . 1 . . . . 409 H CA . 17385 1 136 . 1 1 42 42 HIS CB C 13 30.498 0.000 . 1 . . . . 409 H CB . 17385 1 137 . 1 1 42 42 HIS N N 15 124.164 0.018 . 1 . . . . 409 H N . 17385 1 stop_ save_