data_17380 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17380 _Entry.Title ; rbp56 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. . 17380 2 Joel Mackay . P. . 17380 3 Cuong Nguyen . D. . 17380 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17380 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 74 17380 '15N chemical shifts' 32 17380 '1H chemical shifts' 32 17380 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' 17380 1 . . 2011-01-25 2010-12-23 original author 'original release' 17380 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17380 _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. . 17380 1 2 Robyn Mansfield . E. . 17380 1 3 Wilfred Leung . . . 17380 1 4 Paula Vaz . M. . 17380 1 5 Fionna Loughlin . E. . 17380 1 6 Richard Grant . P. . 17380 1 7 Joel Mackay . P. . 17380 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RanBP2 17380 1 RNA-binding 17380 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17380 _Assembly.ID 1 _Assembly.Name 'RBP56 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 $RBP56_ZnF A . yes native no no . . . 17380 1 2 'zinc ion' 2 $ZN A . no native no no . . . 17380 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID RNA-binding 17380 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBP56_ZnF _Entity.Sf_category entity _Entity.Sf_framecode RBP56_ZnF _Entity.Entry_ID 17380 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RBP56_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 ; GSRGGDPKSGDWVCPNPSCG NMNFARRNSCNQCNEPRPED SR ; _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 BMRB 19561 . Taf-RRM-RanBP . . . . . 88.10 162 100.00 100.00 1.18e-17 . . . . 17380 1 2 no DBJ BAA33811 . "RBP56/hTAFII68 [Homo sapiens]" . . . . . 88.10 592 100.00 100.00 2.55e-17 . . . . 17380 1 3 no DBJ BAA33812 . "RBP56/hTAFII68 [Homo sapiens]" . . . . . 88.10 589 100.00 100.00 4.09e-17 . . . . 17380 1 4 no DBJ BAB46889 . "hypothetical protein [Macaca fascicularis]" . . . . . 88.10 397 100.00 100.00 4.76e-17 . . . . 17380 1 5 no DBJ BAC34676 . "unnamed protein product [Mus musculus]" . . . . . 88.10 557 97.30 100.00 8.90e-17 . . . . 17380 1 6 no DBJ BAE27086 . "unnamed protein product [Mus musculus]" . . . . . 88.10 557 97.30 100.00 8.90e-17 . . . . 17380 1 7 no EMBL CAA67398 . "hTAFII68 [Homo sapiens]" . . . . . 88.10 589 100.00 100.00 4.09e-17 . . . . 17380 1 8 no GB AAC50932 . "putative RNA binding protein RBP56 [Homo sapiens]" . . . . . 88.10 592 100.00 100.00 2.55e-17 . . . . 17380 1 9 no GB AAH46099 . "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Homo sapiens]" . . . . . 88.10 592 100.00 100.00 2.55e-17 . . . . 17380 1 10 no GB AAI37592 . "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor [Mus musculus]" . . . . . 88.10 557 97.30 100.00 8.90e-17 . . . . 17380 1 11 no GB AAI66769 . "Taf15 protein [Rattus norvegicus]" . . . . . 88.10 572 97.30 100.00 9.11e-17 . . . . 17380 1 12 no GB AAO13485 . "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Homo sapiens]" . . . . . 88.10 589 100.00 100.00 4.09e-17 . . . . 17380 1 13 no REF NP_001099294 . "TATA-binding protein-associated factor 2N [Rattus norvegicus]" . . . . . 88.10 394 97.30 100.00 3.71e-17 . . . . 17380 1 14 no REF NP_001302693 . "TAF15 RNA polymerase II, TATA box binding protein (TBP)-associated factor, 68kDa [Sus scrofa]" . . . . . 88.10 602 100.00 100.00 3.58e-17 . . . . 17380 1 15 no REF NP_003478 . "TATA-binding protein-associated factor 2N isoform 2 [Homo sapiens]" . . . . . 88.10 589 100.00 100.00 4.09e-17 . . . . 17380 1 16 no REF NP_081703 . "TATA-binding protein-associated factor 2N [Mus musculus]" . . . . . 88.10 557 97.30 100.00 8.90e-17 . . . . 17380 1 17 no REF NP_631961 . "TATA-binding protein-associated factor 2N isoform 1 [Homo sapiens]" . . . . . 88.10 592 100.00 100.00 2.55e-17 . . . . 17380 1 18 no SP Q92804 . "RecName: Full=TATA-binding protein-associated factor 2N; AltName: Full=68 kDa TATA-binding protein-associated factor; Short=TAF" . . . . . 88.10 592 100.00 100.00 2.55e-17 . . . . 17380 1 19 no TPG DAA19087 . "TPA: TBP-associated factor 15-like [Bos taurus]" . . . . . 88.10 591 100.00 100.00 5.75e-17 . . . . 17380 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 1 347 GLY . 17380 1 2 348 SER . 17380 1 3 349 ARG . 17380 1 4 350 GLY . 17380 1 5 351 GLY . 17380 1 6 352 ASP . 17380 1 7 353 PRO . 17380 1 8 354 LYS . 17380 1 9 355 SER . 17380 1 10 356 GLY . 17380 1 11 357 ASP . 17380 1 12 358 TRP . 17380 1 13 359 VAL . 17380 1 14 360 CYS . 17380 1 15 361 PRO . 17380 1 16 362 ASN . 17380 1 17 363 PRO . 17380 1 18 364 SER . 17380 1 19 365 CYS . 17380 1 20 366 GLY . 17380 1 21 367 ASN . 17380 1 22 368 MET . 17380 1 23 369 ASN . 17380 1 24 370 PHE . 17380 1 25 371 ALA . 17380 1 26 372 ARG . 17380 1 27 373 ARG . 17380 1 28 374 ASN . 17380 1 29 375 SER . 17380 1 30 376 CYS . 17380 1 31 377 ASN . 17380 1 32 378 GLN . 17380 1 33 379 CYS . 17380 1 34 380 ASN . 17380 1 35 381 GLU . 17380 1 36 382 PRO . 17380 1 37 383 ARG . 17380 1 38 384 PRO . 17380 1 39 385 GLU . 17380 1 40 386 ASP . 17380 1 41 387 SER . 17380 1 42 388 ARG . 17380 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 17380 1 . SER 2 2 17380 1 . ARG 3 3 17380 1 . GLY 4 4 17380 1 . GLY 5 5 17380 1 . ASP 6 6 17380 1 . PRO 7 7 17380 1 . LYS 8 8 17380 1 . SER 9 9 17380 1 . GLY 10 10 17380 1 . ASP 11 11 17380 1 . TRP 12 12 17380 1 . VAL 13 13 17380 1 . CYS 14 14 17380 1 . PRO 15 15 17380 1 . ASN 16 16 17380 1 . PRO 17 17 17380 1 . SER 18 18 17380 1 . CYS 19 19 17380 1 . GLY 20 20 17380 1 . ASN 21 21 17380 1 . MET 22 22 17380 1 . ASN 23 23 17380 1 . PHE 24 24 17380 1 . ALA 25 25 17380 1 . ARG 26 26 17380 1 . ARG 27 27 17380 1 . ASN 28 28 17380 1 . SER 29 29 17380 1 . CYS 30 30 17380 1 . ASN 31 31 17380 1 . GLN 32 32 17380 1 . CYS 33 33 17380 1 . ASN 34 34 17380 1 . GLU 35 35 17380 1 . PRO 36 36 17380 1 . ARG 37 37 17380 1 . PRO 38 38 17380 1 . GLU 39 39 17380 1 . ASP 40 40 17380 1 . SER 41 41 17380 1 . ARG 42 42 17380 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17380 _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 . 17380 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 17380 _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 $RBP56_ZnF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17380 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 17380 _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 $RBP56_ZnF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 17380 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 17380 _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 17380 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17380 ZN [Zn++] SMILES CACTVS 3.341 17380 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17380 ZN [Zn+2] SMILES ACDLabs 10.04 17380 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17380 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17380 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 17380 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17380 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 . 17380 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17380 _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 'RBP56 ZnF' '[U-100% 13C; U-100% 15N]' . . 1 $RBP56_ZnF . . 1 . . mM . . . . 17380 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17380 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17380 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17380 1 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 17380 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17380 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17380 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 17380 _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 17380 1 pH 6.5 . pH 17380 1 pressure 1 . atm 17380 1 temperature 298 . K 17380 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17380 _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' . . 17380 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17380 1 processing 17380 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17380 _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 . . 17380 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17380 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 17380 _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 17380 _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 . . . 17380 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 17380 _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 . . . . . . . . . . . . . . . . 17380 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17380 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17380 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17380 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 17380 _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 17380 _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 17380 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17380 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17380 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 17380 _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' . . . 17380 1 3 '3D CBCA(CO)NH' . . . 17380 1 4 '3D HNCACB' . . . 17380 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 4 4 GLY CA C 13 45.326 0.010 . 1 . . . . 350 G CA . 17380 1 2 . 1 1 5 5 GLY H H 1 8.252 0.005 . 1 . . . . 351 G HN . 17380 1 3 . 1 1 5 5 GLY CA C 13 44.963 0.038 . 1 . . . . 351 G CA . 17380 1 4 . 1 1 5 5 GLY N N 15 108.983 0.031 . 1 . . . . 351 G N . 17380 1 5 . 1 1 6 6 ASP H H 1 8.411 0.006 . 1 . . . . 352 D HN . 17380 1 6 . 1 1 6 6 ASP CA C 13 52.248 0.000 . 1 . . . . 352 D CA . 17380 1 7 . 1 1 6 6 ASP CB C 13 41.260 0.000 . 1 . . . . 352 D CB . 17380 1 8 . 1 1 6 6 ASP N N 15 121.834 0.026 . 1 . . . . 352 D N . 17380 1 9 . 1 1 7 7 PRO CA C 13 63.788 0.007 . 1 . . . . 353 P CA . 17380 1 10 . 1 1 7 7 PRO CB C 13 32.175 0.003 . 1 . . . . 353 P CB . 17380 1 11 . 1 1 8 8 LYS H H 1 8.510 0.003 . 1 . . . . 354 K HN . 17380 1 12 . 1 1 8 8 LYS CA C 13 56.512 0.025 . 1 . . . . 354 K CA . 17380 1 13 . 1 1 8 8 LYS CB C 13 32.505 0.010 . 1 . . . . 354 K CB . 17380 1 14 . 1 1 8 8 LYS N N 15 120.446 0.016 . 1 . . . . 354 K N . 17380 1 15 . 1 1 9 9 SER H H 1 8.139 0.004 . 1 . . . . 355 S HN . 17380 1 16 . 1 1 9 9 SER CA C 13 59.019 0.117 . 1 . . . . 355 S CA . 17380 1 17 . 1 1 9 9 SER CB C 13 64.049 0.013 . 1 . . . . 355 S CB . 17380 1 18 . 1 1 9 9 SER N N 15 115.622 0.057 . 1 . . . . 355 S N . 17380 1 19 . 1 1 10 10 GLY H H 1 8.420 0.005 . 1 . . . . 356 G HN . 17380 1 20 . 1 1 10 10 GLY CA C 13 45.227 0.012 . 1 . . . . 356 G CA . 17380 1 21 . 1 1 10 10 GLY N N 15 111.260 0.004 . 1 . . . . 356 G N . 17380 1 22 . 1 1 11 11 ASP H H 1 8.114 0.004 . 1 . . . . 357 D HN . 17380 1 23 . 1 1 11 11 ASP CA C 13 55.715 0.054 . 1 . . . . 357 D CA . 17380 1 24 . 1 1 11 11 ASP CB C 13 40.825 0.015 . 1 . . . . 357 D CB . 17380 1 25 . 1 1 11 11 ASP N N 15 123.514 0.008 . 1 . . . . 357 D N . 17380 1 26 . 1 1 12 12 TRP H H 1 8.734 0.002 . 1 . . . . 358 W HN . 17380 1 27 . 1 1 12 12 TRP CA C 13 54.041 0.016 . 1 . . . . 358 W CA . 17380 1 28 . 1 1 12 12 TRP CB C 13 31.080 0.008 . 1 . . . . 358 W CB . 17380 1 29 . 1 1 12 12 TRP N N 15 119.263 0.011 . 1 . . . . 358 W N . 17380 1 30 . 1 1 13 13 VAL H H 1 8.689 0.004 . 1 . . . . 359 V HN . 17380 1 31 . 1 1 13 13 VAL CA C 13 61.457 0.021 . 1 . . . . 359 V CA . 17380 1 32 . 1 1 13 13 VAL CB C 13 32.782 0.034 . 1 . . . . 359 V CB . 17380 1 33 . 1 1 13 13 VAL N N 15 123.937 0.011 . 1 . . . . 359 V N . 17380 1 34 . 1 1 14 14 CYS H H 1 8.675 0.003 . 1 . . . . 360 C HN . 17380 1 35 . 1 1 14 14 CYS CA C 13 57.853 0.000 . 1 . . . . 360 C CA . 17380 1 36 . 1 1 14 14 CYS CB C 13 32.328 0.000 . 1 . . . . 360 C CB . 17380 1 37 . 1 1 14 14 CYS N N 15 132.779 0.020 . 1 . . . . 360 C N . 17380 1 38 . 1 1 15 15 PRO CA C 13 63.502 0.016 . 1 . . . . 361 P CA . 17380 1 39 . 1 1 15 15 PRO CB C 13 32.117 0.025 . 1 . . . . 361 P CB . 17380 1 40 . 1 1 16 16 ASN H H 1 8.949 0.001 . 1 . . . . 362 N HN . 17380 1 41 . 1 1 16 16 ASN CA C 13 51.358 0.000 . 1 . . . . 362 N CA . 17380 1 42 . 1 1 16 16 ASN CB C 13 38.741 0.000 . 1 . . . . 362 N CB . 17380 1 43 . 1 1 16 16 ASN N N 15 125.715 0.026 . 1 . . . . 362 N N . 17380 1 44 . 1 1 17 17 PRO CA C 13 64.581 0.044 . 1 . . . . 363 P CA . 17380 1 45 . 1 1 17 17 PRO CB C 13 32.097 0.001 . 1 . . . . 363 P CB . 17380 1 46 . 1 1 18 18 SER H H 1 7.718 0.001 . 1 . . . . 364 S HN . 17380 1 47 . 1 1 18 18 SER CA C 13 58.903 0.038 . 1 . . . . 364 S CA . 17380 1 48 . 1 1 18 18 SER CB C 13 63.336 0.011 . 1 . . . . 364 S CB . 17380 1 49 . 1 1 18 18 SER N N 15 112.431 0.014 . 1 . . . . 364 S N . 17380 1 50 . 1 1 19 19 CYS H H 1 8.123 0.002 . 1 . . . . 365 C HN . 17380 1 51 . 1 1 19 19 CYS CA C 13 59.766 0.003 . 1 . . . . 365 C CA . 17380 1 52 . 1 1 19 19 CYS CB C 13 31.846 0.007 . 1 . . . . 365 C CB . 17380 1 53 . 1 1 19 19 CYS N N 15 125.333 0.032 . 1 . . . . 365 C N . 17380 1 54 . 1 1 20 20 GLY H H 1 7.434 0.002 . 1 . . . . 366 G HN . 17380 1 55 . 1 1 20 20 GLY CA C 13 46.504 0.021 . 1 . . . . 366 G CA . 17380 1 56 . 1 1 20 20 GLY N N 15 104.061 0.039 . 1 . . . . 366 G N . 17380 1 57 . 1 1 21 21 ASN H H 1 8.499 0.002 . 1 . . . . 367 N HN . 17380 1 58 . 1 1 21 21 ASN CA C 13 54.751 0.029 . 1 . . . . 367 N CA . 17380 1 59 . 1 1 21 21 ASN CB C 13 41.175 0.003 . 1 . . . . 367 N CB . 17380 1 60 . 1 1 21 21 ASN N N 15 120.899 0.031 . 1 . . . . 367 N N . 17380 1 61 . 1 1 22 22 MET H H 1 8.027 0.005 . 1 . . . . 368 M HN . 17380 1 62 . 1 1 22 22 MET CA C 13 54.807 0.014 . 1 . . . . 368 M CA . 17380 1 63 . 1 1 22 22 MET CB C 13 31.318 0.050 . 1 . . . . 368 M CB . 17380 1 64 . 1 1 22 22 MET N N 15 123.940 0.010 . 1 . . . . 368 M N . 17380 1 65 . 1 1 23 23 ASN H H 1 8.747 0.002 . 1 . . . . 369 N HN . 17380 1 66 . 1 1 23 23 ASN CA C 13 52.533 0.014 . 1 . . . . 369 N CA . 17380 1 67 . 1 1 23 23 ASN CB C 13 42.988 0.019 . 1 . . . . 369 N CB . 17380 1 68 . 1 1 23 23 ASN N N 15 125.054 0.018 . 1 . . . . 369 N N . 17380 1 69 . 1 1 24 24 PHE H H 1 7.689 0.002 . 1 . . . . 370 F HN . 17380 1 70 . 1 1 24 24 PHE CA C 13 56.620 0.019 . 1 . . . . 370 F CA . 17380 1 71 . 1 1 24 24 PHE CB C 13 40.112 0.006 . 1 . . . . 370 F CB . 17380 1 72 . 1 1 24 24 PHE N N 15 118.285 0.024 . 1 . . . . 370 F N . 17380 1 73 . 1 1 25 25 ALA H H 1 8.881 0.002 . 1 . . . . 371 A HN . 17380 1 74 . 1 1 25 25 ALA CA C 13 55.364 0.044 . 1 . . . . 371 A CA . 17380 1 75 . 1 1 25 25 ALA CB C 13 19.541 0.019 . 1 . . . . 371 A CB . 17380 1 76 . 1 1 25 25 ALA N N 15 124.372 0.027 . 1 . . . . 371 A N . 17380 1 77 . 1 1 26 26 ARG H H 1 7.712 0.012 . 1 . . . . 372 R HN . 17380 1 78 . 1 1 26 26 ARG CA C 13 56.776 0.049 . 1 . . . . 372 R CA . 17380 1 79 . 1 1 26 26 ARG CB C 13 29.412 0.018 . 1 . . . . 372 R CB . 17380 1 80 . 1 1 26 26 ARG N N 15 110.971 0.033 . 1 . . . . 372 R N . 17380 1 81 . 1 1 27 27 ARG H H 1 8.287 0.002 . 1 . . . . 373 R HN . 17380 1 82 . 1 1 27 27 ARG CA C 13 56.221 0.000 . 1 . . . . 373 R CA . 17380 1 83 . 1 1 27 27 ARG CB C 13 30.940 0.000 . 1 . . . . 373 R CB . 17380 1 84 . 1 1 27 27 ARG N N 15 120.524 0.017 . 1 . . . . 373 R N . 17380 1 85 . 1 1 28 28 ASN CA C 13 53.862 0.084 . 1 . . . . 374 N CA . 17380 1 86 . 1 1 28 28 ASN CB C 13 39.066 0.019 . 1 . . . . 374 N CB . 17380 1 87 . 1 1 29 29 SER H H 1 7.879 0.001 . 1 . . . . 375 S HN . 17380 1 88 . 1 1 29 29 SER CA C 13 56.727 0.019 . 1 . . . . 375 S CA . 17380 1 89 . 1 1 29 29 SER CB C 13 65.801 0.011 . 1 . . . . 375 S CB . 17380 1 90 . 1 1 29 29 SER N N 15 113.996 0.030 . 1 . . . . 375 S N . 17380 1 91 . 1 1 30 30 CYS H H 1 9.654 0.003 . 1 . . . . 376 C HN . 17380 1 92 . 1 1 30 30 CYS CA C 13 58.969 0.049 . 1 . . . . 376 C CA . 17380 1 93 . 1 1 30 30 CYS CB C 13 31.146 0.002 . 1 . . . . 376 C CB . 17380 1 94 . 1 1 30 30 CYS N N 15 126.858 0.039 . 1 . . . . 376 C N . 17380 1 95 . 1 1 31 31 ASN H H 1 8.740 0.001 . 1 . . . . 377 N HN . 17380 1 96 . 1 1 31 31 ASN CA C 13 55.860 0.024 . 1 . . . . 377 N CA . 17380 1 97 . 1 1 31 31 ASN CB C 13 38.879 0.020 . 1 . . . . 377 N CB . 17380 1 98 . 1 1 31 31 ASN N N 15 127.971 0.024 . 1 . . . . 377 N N . 17380 1 99 . 1 1 32 32 GLN H H 1 9.237 0.003 . 1 . . . . 378 Q HN . 17380 1 100 . 1 1 32 32 GLN CA C 13 57.403 0.048 . 1 . . . . 378 Q CA . 17380 1 101 . 1 1 32 32 GLN CB C 13 30.397 0.002 . 1 . . . . 378 Q CB . 17380 1 102 . 1 1 32 32 GLN N N 15 120.963 0.042 . 1 . . . . 378 Q N . 17380 1 103 . 1 1 33 33 CYS H H 1 8.133 0.002 . 1 . . . . 379 C HN . 17380 1 104 . 1 1 33 33 CYS CA C 13 59.095 0.069 . 1 . . . . 379 C CA . 17380 1 105 . 1 1 33 33 CYS CB C 13 32.005 0.024 . 1 . . . . 379 C CB . 17380 1 106 . 1 1 33 33 CYS N N 15 118.233 0.030 . 1 . . . . 379 C N . 17380 1 107 . 1 1 34 34 ASN H H 1 7.951 0.001 . 1 . . . . 380 N HN . 17380 1 108 . 1 1 34 34 ASN CA C 13 55.734 0.059 . 1 . . . . 380 N CA . 17380 1 109 . 1 1 34 34 ASN CB C 13 38.465 0.045 . 1 . . . . 380 N CB . 17380 1 110 . 1 1 34 34 ASN N N 15 118.346 0.029 . 1 . . . . 380 N N . 17380 1 111 . 1 1 35 35 GLU H H 1 8.948 0.002 . 1 . . . . 381 E HN . 17380 1 112 . 1 1 35 35 GLU CA C 13 55.765 0.000 . 1 . . . . 381 E CA . 17380 1 113 . 1 1 35 35 GLU CB C 13 31.531 0.000 . 1 . . . . 381 E CB . 17380 1 114 . 1 1 35 35 GLU N N 15 126.680 0.023 . 1 . . . . 381 E N . 17380 1 115 . 1 1 36 36 PRO CA C 13 62.927 0.055 . 1 . . . . 382 P CA . 17380 1 116 . 1 1 36 36 PRO CB C 13 32.407 0.014 . 1 . . . . 382 P CB . 17380 1 117 . 1 1 37 37 ARG H H 1 7.449 0.001 . 1 . . . . 383 R HN . 17380 1 118 . 1 1 37 37 ARG CA C 13 54.083 0.000 . 1 . . . . 383 R CA . 17380 1 119 . 1 1 37 37 ARG CB C 13 30.552 0.000 . 1 . . . . 383 R CB . 17380 1 120 . 1 1 37 37 ARG N N 15 123.693 0.007 . 1 . . . . 383 R N . 17380 1 121 . 1 1 38 38 PRO CA C 13 62.891 0.051 . 1 . . . . 384 P CA . 17380 1 122 . 1 1 38 38 PRO CB C 13 32.208 0.009 . 1 . . . . 384 P CB . 17380 1 123 . 1 1 39 39 GLU H H 1 8.557 0.004 . 1 . . . . 385 E HN . 17380 1 124 . 1 1 39 39 GLU CA C 13 56.844 0.026 . 1 . . . . 385 E CA . 17380 1 125 . 1 1 39 39 GLU CB C 13 30.363 0.014 . 1 . . . . 385 E CB . 17380 1 126 . 1 1 39 39 GLU N N 15 122.789 0.010 . 1 . . . . 385 E N . 17380 1 127 . 1 1 40 40 ASP H H 1 8.383 0.004 . 1 . . . . 386 D HN . 17380 1 128 . 1 1 40 40 ASP CA C 13 54.309 0.022 . 1 . . . . 386 D CA . 17380 1 129 . 1 1 40 40 ASP CB C 13 41.111 0.004 . 1 . . . . 386 D CB . 17380 1 130 . 1 1 40 40 ASP N N 15 121.046 0.024 . 1 . . . . 386 D N . 17380 1 131 . 1 1 41 41 SER H H 1 8.168 0.004 . 1 . . . . 387 S HN . 17380 1 132 . 1 1 41 41 SER CA C 13 58.388 0.019 . 1 . . . . 387 S CA . 17380 1 133 . 1 1 41 41 SER CB C 13 63.926 0.010 . 1 . . . . 387 S CB . 17380 1 134 . 1 1 41 41 SER N N 15 116.458 0.013 . 1 . . . . 387 S N . 17380 1 135 . 1 1 42 42 ARG H H 1 7.918 0.004 . 1 . . . . 388 R HN . 17380 1 136 . 1 1 42 42 ARG CA C 13 57.732 0.000 . 1 . . . . 388 R CA . 17380 1 137 . 1 1 42 42 ARG CB C 13 31.399 0.000 . 1 . . . . 388 R CB . 17380 1 138 . 1 1 42 42 ARG N N 15 128.375 0.016 . 1 . . . . 388 R N . 17380 1 stop_ save_