data_17387 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17387 _Entry.Title ; RBM5 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. . 17387 2 Cuong Nguyen . D. . 17387 3 Joel Mackay . P. . 17387 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17387 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 69 17387 '15N chemical shifts' 33 17387 '1H chemical shifts' 33 17387 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' 17387 1 . . 2011-01-28 2010-12-23 original author 'original release' 17387 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17387 _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. . 17387 1 2 Robyn Mansfield . E. . 17387 1 3 Wilfred Leung . . . 17387 1 4 Paula Vaz . M. . 17387 1 5 Fionna Loughlin . E. . 17387 1 6 Richard Grant . P. . 17387 1 7 Joel Mackay . P. . 17387 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RanBP2 17387 1 RNA-binding 17387 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17387 _Assembly.ID 1 _Assembly.Name 'RBM5 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 $RBM5_ZnF A . yes native no no . . . 17387 1 2 'zinc ion' 2 $ZN A . no native no no . . . 17387 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID RNA-binding 17387 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBM5_ZnF _Entity.Sf_category entity _Entity.Sf_framecode RBM5_ZnF _Entity.Entry_ID 17387 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RBM5_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 ; GSSNPRPKFEDWLCNKCCLN NFRKRLKCFRCGADKFDSEQ ; _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 40 _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 17969 . RBM5-ZF1 . . . . . 75.00 32 100.00 100.00 3.21e-11 . . . . 17387 1 2 no BMRB 17970 . RBM5-ZF1 . . . . . 75.00 32 100.00 100.00 3.21e-11 . . . . 17387 1 3 no PDB 2LK0 . "Solution Structure And Binding Studies Of The Ranbp2-Type Zinc Finger Of Rbm5" . . . . . 75.00 32 100.00 100.00 3.21e-11 . . . . 17387 1 4 no PDB 2LK1 . "Solution Structure And Binding Studies Of The Ranbp2-Type Zinc Finger Of Rbm5" . . . . . 75.00 32 100.00 100.00 3.21e-11 . . . . 17387 1 5 no DBJ BAE22042 . "unnamed protein product [Mus musculus]" . . . . . 95.00 815 100.00 100.00 2.50e-20 . . . . 17387 1 6 no DBJ BAE27501 . "unnamed protein product [Mus musculus]" . . . . . 95.00 815 100.00 100.00 2.92e-20 . . . . 17387 1 7 no DBJ BAE87995 . "unnamed protein product [Macaca fascicularis]" . . . . . 95.00 548 100.00 100.00 1.37e-21 . . . . 17387 1 8 no DBJ BAG36742 . "unnamed protein product [Homo sapiens]" . . . . . 95.00 815 100.00 100.00 1.46e-20 . . . . 17387 1 9 no DBJ BAG59728 . "unnamed protein product [Homo sapiens]" . . . . . 95.00 643 100.00 100.00 1.64e-20 . . . . 17387 1 10 no EMBL CAC69136 . "RNA binding motif protein 5 [Mus musculus]" . . . . . 95.00 815 100.00 100.00 2.92e-20 . . . . 17387 1 11 no GB AAA99715 . "putative tumor suppressor [Homo sapiens]" . . . . . 95.00 815 100.00 100.00 1.83e-20 . . . . 17387 1 12 no GB AAB42216 . "partial CDS, human putative tumor suppressor (U23946) [Homo sapiens]" . . . . . 95.00 698 100.00 100.00 1.13e-20 . . . . 17387 1 13 no GB AAD04159 . "RNA binding motif protein 5 [Homo sapiens]" . . . . . 95.00 815 100.00 100.00 1.46e-20 . . . . 17387 1 14 no GB AAF02422 . "lung cancer tumor suppressor H37 [Homo sapiens]" . . . . . 95.00 815 100.00 100.00 1.46e-20 . . . . 17387 1 15 no GB AAH19766 . "Rbm5 protein, partial [Mus musculus]" . . . . . 95.00 444 100.00 100.00 4.36e-22 . . . . 17387 1 16 no REF NP_001039839 . "RNA-binding protein 5 [Bos taurus]" . . . . . 95.00 815 100.00 100.00 1.58e-20 . . . . 17387 1 17 no REF NP_001094018 . "RNA-binding protein 5 [Rattus norvegicus]" . . . . . 95.00 815 100.00 100.00 2.81e-20 . . . . 17387 1 18 no REF NP_001248103 . "RNA-binding protein 5 [Macaca mulatta]" . . . . . 95.00 815 100.00 100.00 1.39e-20 . . . . 17387 1 19 no REF NP_005769 . "RNA-binding protein 5 [Homo sapiens]" . . . . . 95.00 815 100.00 100.00 1.46e-20 . . . . 17387 1 20 no REF NP_683732 . "RNA-binding protein 5 [Mus musculus]" . . . . . 95.00 815 100.00 100.00 2.92e-20 . . . . 17387 1 21 no SP B2GV05 . "RecName: Full=RNA-binding protein 5; AltName: Full=RNA-binding motif protein 5" . . . . . 95.00 815 100.00 100.00 2.81e-20 . . . . 17387 1 22 no SP P52756 . "RecName: Full=RNA-binding protein 5; AltName: Full=Protein G15; AltName: Full=Putative tumor suppressor LUCA15; AltName: Full=R" . . . . . 95.00 815 100.00 100.00 1.46e-20 . . . . 17387 1 23 no SP Q1RMU5 . "RecName: Full=RNA-binding protein 5; AltName: Full=Putative tumor suppressor LUCA15; AltName: Full=RNA-binding motif protein 5" . . . . . 95.00 815 100.00 100.00 1.58e-20 . . . . 17387 1 24 no SP Q91YE7 . "RecName: Full=RNA-binding protein 5; AltName: Full=Putative tumor suppressor LUCA15; AltName: Full=RNA-binding motif protein 5" . . . . . 95.00 815 100.00 100.00 2.92e-20 . . . . 17387 1 25 no TPG DAA16943 . "TPA: RNA-binding protein 5 [Bos taurus]" . . . . . 95.00 815 100.00 100.00 1.58e-20 . . . . 17387 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID RNA-binding 17387 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 1 174 GLY . 17387 1 2 175 SER . 17387 1 3 176 SER . 17387 1 4 177 ASN . 17387 1 5 178 PRO . 17387 1 6 179 ARG . 17387 1 7 180 PRO . 17387 1 8 181 LYS . 17387 1 9 182 PHE . 17387 1 10 183 GLU . 17387 1 11 184 ASP . 17387 1 12 185 TRP . 17387 1 13 186 LEU . 17387 1 14 187 CYS . 17387 1 15 188 ASN . 17387 1 16 189 LYS . 17387 1 17 190 CYS . 17387 1 18 191 CYS . 17387 1 19 192 LEU . 17387 1 20 193 ASN . 17387 1 21 194 ASN . 17387 1 22 195 PHE . 17387 1 23 196 ARG . 17387 1 24 197 LYS . 17387 1 25 198 ARG . 17387 1 26 199 LEU . 17387 1 27 200 LYS . 17387 1 28 201 CYS . 17387 1 29 202 PHE . 17387 1 30 203 ARG . 17387 1 31 204 CYS . 17387 1 32 205 GLY . 17387 1 33 206 ALA . 17387 1 34 207 ASP . 17387 1 35 208 LYS . 17387 1 36 209 PHE . 17387 1 37 210 ASP . 17387 1 38 211 SER . 17387 1 39 212 GLU . 17387 1 40 213 GLN . 17387 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 17387 1 . SER 2 2 17387 1 . SER 3 3 17387 1 . ASN 4 4 17387 1 . PRO 5 5 17387 1 . ARG 6 6 17387 1 . PRO 7 7 17387 1 . LYS 8 8 17387 1 . PHE 9 9 17387 1 . GLU 10 10 17387 1 . ASP 11 11 17387 1 . TRP 12 12 17387 1 . LEU 13 13 17387 1 . CYS 14 14 17387 1 . ASN 15 15 17387 1 . LYS 16 16 17387 1 . CYS 17 17 17387 1 . CYS 18 18 17387 1 . LEU 19 19 17387 1 . ASN 20 20 17387 1 . ASN 21 21 17387 1 . PHE 22 22 17387 1 . ARG 23 23 17387 1 . LYS 24 24 17387 1 . ARG 25 25 17387 1 . LEU 26 26 17387 1 . LYS 27 27 17387 1 . CYS 28 28 17387 1 . PHE 29 29 17387 1 . ARG 30 30 17387 1 . CYS 31 31 17387 1 . GLY 32 32 17387 1 . ALA 33 33 17387 1 . ASP 34 34 17387 1 . LYS 35 35 17387 1 . PHE 36 36 17387 1 . ASP 37 37 17387 1 . SER 38 38 17387 1 . GLU 39 39 17387 1 . GLN 40 40 17387 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17387 _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 . 17387 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 17387 _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 $RBM5_ZnF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17387 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 17387 _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 $RBM5_ZnF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 17387 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 17387 _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 17387 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17387 ZN [Zn++] SMILES CACTVS 3.341 17387 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17387 ZN [Zn+2] SMILES ACDLabs 10.04 17387 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17387 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17387 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 17387 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17387 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 . 17387 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17387 _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 'RBM5 ZnF' '[U-100% 13C; U-100% 15N]' . . 1 $RBM5_ZnF . . 1 . . mM . . . . 17387 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17387 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17387 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17387 1 5 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 17387 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17387 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17387 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 17387 _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 17387 1 pH 6.5 . pH 17387 1 pressure 1 . atm 17387 1 temperature 298 . K 17387 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17387 _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' . . 17387 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17387 1 processing 17387 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17387 _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 . . 17387 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17387 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 17387 _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 17387 _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 . . . 17387 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 17387 _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 . . . . . . . . . . . . . . . . 17387 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17387 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17387 1 4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17387 1 5 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17387 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 17387 _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 17387 _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 17387 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17387 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17387 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 17387 _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' . . . 17387 1 3 '3D CBCA(CO)NH' . . . 17387 1 4 '3D HNCACB' . . . 17387 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 3 3 SER CA C 13 59.337 0.087 . 1 . . . . 176 S CA . 17387 1 2 . 1 1 3 3 SER CB C 13 63.713 0.069 . 1 . . . . 176 S CB . 17387 1 3 . 1 1 4 4 ASN H H 1 7.916 0.004 . 1 . . . . 177 N HN . 17387 1 4 . 1 1 4 4 ASN CA C 13 55.444 0.000 . 1 . . . . 177 N CA . 17387 1 5 . 1 1 4 4 ASN CB C 13 42.244 0.000 . 1 . . . . 177 N CB . 17387 1 6 . 1 1 4 4 ASN N N 15 123.175 0.044 . 1 . . . . 177 N N . 17387 1 7 . 1 1 6 6 ARG H H 1 8.396 0.002 . 1 . . . . 179 R HN . 17387 1 8 . 1 1 6 6 ARG N N 15 122.633 0.039 . 1 . . . . 179 R N . 17387 1 9 . 1 1 7 7 PRO CA C 13 63.043 0.031 . 1 . . . . 180 P CA . 17387 1 10 . 1 1 7 7 PRO CB C 13 32.150 0.006 . 1 . . . . 180 P CB . 17387 1 11 . 1 1 8 8 LYS H H 1 8.347 0.002 . 1 . . . . 181 K HN . 17387 1 12 . 1 1 8 8 LYS CA C 13 56.596 0.049 . 1 . . . . 181 K CA . 17387 1 13 . 1 1 8 8 LYS CB C 13 33.207 0.004 . 1 . . . . 181 K CB . 17387 1 14 . 1 1 8 8 LYS N N 15 121.649 0.034 . 1 . . . . 181 K N . 17387 1 15 . 1 1 9 9 PHE H H 1 8.325 0.006 . 1 . . . . 182 F HN . 17387 1 16 . 1 1 9 9 PHE CA C 13 57.164 0.071 . 1 . . . . 182 F CA . 17387 1 17 . 1 1 9 9 PHE CB C 13 39.214 0.017 . 1 . . . . 182 F CB . 17387 1 18 . 1 1 9 9 PHE N N 15 120.749 0.039 . 1 . . . . 182 F N . 17387 1 19 . 1 1 10 10 GLU H H 1 8.205 0.008 . 1 . . . . 183 E HN . 17387 1 20 . 1 1 10 10 GLU CA C 13 55.947 0.069 . 1 . . . . 183 E CA . 17387 1 21 . 1 1 10 10 GLU CB C 13 31.804 0.017 . 1 . . . . 183 E CB . 17387 1 22 . 1 1 10 10 GLU N N 15 121.161 0.019 . 1 . . . . 183 E N . 17387 1 23 . 1 1 11 11 ASP H H 1 8.221 0.003 . 1 . . . . 184 D HN . 17387 1 24 . 1 1 11 11 ASP CA C 13 55.506 0.099 . 1 . . . . 184 D CA . 17387 1 25 . 1 1 11 11 ASP CB C 13 41.186 0.011 . 1 . . . . 184 D CB . 17387 1 26 . 1 1 11 11 ASP N N 15 122.916 0.053 . 1 . . . . 184 D N . 17387 1 27 . 1 1 12 12 TRP H H 1 8.559 0.004 . 1 . . . . 185 W HN . 17387 1 28 . 1 1 12 12 TRP HE1 H 1 9.698 0.003 . 1 . . . . 185 W HE1 . 17387 1 29 . 1 1 12 12 TRP CA C 13 54.070 0.011 . 1 . . . . 185 W CA . 17387 1 30 . 1 1 12 12 TRP CB C 13 31.335 0.022 . 1 . . . . 185 W CB . 17387 1 31 . 1 1 12 12 TRP N N 15 118.146 0.023 . 1 . . . . 185 W N . 17387 1 32 . 1 1 12 12 TRP NE1 N 15 130.328 0.025 . 1 . . . . 185 W NE1 . 17387 1 33 . 1 1 13 13 LEU H H 1 8.798 0.007 . 1 . . . . 186 L HN . 17387 1 34 . 1 1 13 13 LEU CA C 13 53.683 0.117 . 1 . . . . 186 L CA . 17387 1 35 . 1 1 13 13 LEU CB C 13 43.397 0.019 . 1 . . . . 186 L CB . 17387 1 36 . 1 1 13 13 LEU N N 15 124.172 0.009 . 1 . . . . 186 L N . 17387 1 37 . 1 1 14 14 CYS H H 1 8.563 0.002 . 1 . . . . 187 C HN . 17387 1 38 . 1 1 14 14 CYS CA C 13 59.714 0.004 . 1 . . . . 187 C CA . 17387 1 39 . 1 1 14 14 CYS CB C 13 31.132 0.003 . 1 . . . . 187 C CB . 17387 1 40 . 1 1 14 14 CYS N N 15 129.072 0.028 . 1 . . . . 187 C N . 17387 1 41 . 1 1 15 15 ASN H H 1 9.194 0.004 . 1 . . . . 188 N HN . 17387 1 42 . 1 1 15 15 ASN CA C 13 55.044 0.051 . 1 . . . . 188 N CA . 17387 1 43 . 1 1 15 15 ASN CB C 13 38.625 0.033 . 1 . . . . 188 N CB . 17387 1 44 . 1 1 15 15 ASN N N 15 128.831 0.030 . 1 . . . . 188 N N . 17387 1 45 . 1 1 16 16 LYS H H 1 9.256 0.004 . 1 . . . . 189 K HN . 17387 1 46 . 1 1 16 16 LYS CA C 13 57.686 0.053 . 1 . . . . 189 K CA . 17387 1 47 . 1 1 16 16 LYS CB C 13 33.020 0.044 . 1 . . . . 189 K CB . 17387 1 48 . 1 1 16 16 LYS N N 15 122.348 0.028 . 1 . . . . 189 K N . 17387 1 49 . 1 1 17 17 CYS H H 1 8.910 0.002 . 1 . . . . 190 C HN . 17387 1 50 . 1 1 17 17 CYS CA C 13 58.921 0.086 . 1 . . . . 190 C CA . 17387 1 51 . 1 1 17 17 CYS CB C 13 32.031 0.016 . 1 . . . . 190 C CB . 17387 1 52 . 1 1 17 17 CYS N N 15 120.023 0.031 . 1 . . . . 190 C N . 17387 1 53 . 1 1 18 18 CYS H H 1 7.876 0.002 . 1 . . . . 191 C HN . 17387 1 54 . 1 1 18 18 CYS CA C 13 61.430 0.000 . 1 . . . . 191 C CA . 17387 1 55 . 1 1 18 18 CYS CB C 13 25.302 0.000 . 1 . . . . 191 C CB . 17387 1 56 . 1 1 18 18 CYS N N 15 116.595 0.030 . 1 . . . . 191 C N . 17387 1 57 . 1 1 19 19 LEU CA C 13 55.703 0.030 . 1 . . . . 192 L CA . 17387 1 58 . 1 1 19 19 LEU CB C 13 43.514 0.108 . 1 . . . . 192 L CB . 17387 1 59 . 1 1 20 20 ASN H H 1 8.476 0.001 . 1 . . . . 193 N HN . 17387 1 60 . 1 1 20 20 ASN CA C 13 53.787 0.061 . 1 . . . . 193 N CA . 17387 1 61 . 1 1 20 20 ASN CB C 13 38.975 0.038 . 1 . . . . 193 N CB . 17387 1 62 . 1 1 20 20 ASN N N 15 124.794 0.027 . 1 . . . . 193 N N . 17387 1 63 . 1 1 21 21 ASN H H 1 9.201 0.006 . 1 . . . . 194 N HN . 17387 1 64 . 1 1 21 21 ASN CA C 13 52.552 0.016 . 1 . . . . 194 N CA . 17387 1 65 . 1 1 21 21 ASN CB C 13 43.423 0.007 . 1 . . . . 194 N CB . 17387 1 66 . 1 1 21 21 ASN N N 15 124.794 0.074 . 1 . . . . 194 N N . 17387 1 67 . 1 1 22 22 PHE H H 1 7.817 0.004 . 1 . . . . 195 F HN . 17387 1 68 . 1 1 22 22 PHE CA C 13 57.183 0.000 . 1 . . . . 195 F CA . 17387 1 69 . 1 1 22 22 PHE CB C 13 39.827 0.000 . 1 . . . . 195 F CB . 17387 1 70 . 1 1 22 22 PHE N N 15 119.285 0.018 . 1 . . . . 195 F N . 17387 1 71 . 1 1 24 24 LYS CA C 13 57.049 0.000 . 1 . . . . 197 K CA . 17387 1 72 . 1 1 24 24 LYS CB C 13 32.411 0.001 . 1 . . . . 197 K CB . 17387 1 73 . 1 1 25 25 ARG H H 1 8.395 0.002 . 1 . . . . 198 R HN . 17387 1 74 . 1 1 25 25 ARG CA C 13 57.334 0.084 . 1 . . . . 198 R CA . 17387 1 75 . 1 1 25 25 ARG CB C 13 31.096 0.012 . 1 . . . . 198 R CB . 17387 1 76 . 1 1 25 25 ARG N N 15 119.864 0.018 . 1 . . . . 198 R N . 17387 1 77 . 1 1 26 26 LEU H H 1 8.834 0.010 . 1 . . . . 199 L HN . 17387 1 78 . 1 1 26 26 LEU CA C 13 55.572 0.058 . 1 . . . . 199 L CA . 17387 1 79 . 1 1 26 26 LEU CB C 13 42.914 0.054 . 1 . . . . 199 L CB . 17387 1 80 . 1 1 26 26 LEU N N 15 122.664 0.067 . 1 . . . . 199 L N . 17387 1 81 . 1 1 27 27 LYS H H 1 7.680 0.008 . 1 . . . . 200 K HN . 17387 1 82 . 1 1 27 27 LYS CA C 13 53.585 0.061 . 1 . . . . 200 K CA . 17387 1 83 . 1 1 27 27 LYS CB C 13 36.288 0.006 . 1 . . . . 200 K CB . 17387 1 84 . 1 1 27 27 LYS N N 15 117.915 0.060 . 1 . . . . 200 K N . 17387 1 85 . 1 1 28 28 CYS H H 1 9.756 0.005 . 1 . . . . 201 C HN . 17387 1 86 . 1 1 28 28 CYS CA C 13 59.418 0.037 . 1 . . . . 201 C CA . 17387 1 87 . 1 1 28 28 CYS CB C 13 31.052 0.022 . 1 . . . . 201 C CB . 17387 1 88 . 1 1 28 28 CYS N N 15 126.409 0.015 . 1 . . . . 201 C N . 17387 1 89 . 1 1 29 29 PHE H H 1 9.142 0.005 . 1 . . . . 202 F HN . 17387 1 90 . 1 1 29 29 PHE CA C 13 60.473 0.049 . 1 . . . . 202 F CA . 17387 1 91 . 1 1 29 29 PHE CB C 13 40.572 0.025 . 1 . . . . 202 F CB . 17387 1 92 . 1 1 29 29 PHE N N 15 131.654 0.014 . 1 . . . . 202 F N . 17387 1 93 . 1 1 30 30 ARG H H 1 8.955 0.004 . 1 . . . . 203 R HN . 17387 1 94 . 1 1 30 30 ARG CA C 13 58.231 0.029 . 1 . . . . 203 R CA . 17387 1 95 . 1 1 30 30 ARG CB C 13 32.834 0.000 . 1 . . . . 203 R CB . 17387 1 96 . 1 1 30 30 ARG N N 15 121.215 0.042 . 1 . . . . 203 R N . 17387 1 97 . 1 1 31 31 CYS H H 1 8.448 0.003 . 1 . . . . 204 C HN . 17387 1 98 . 1 1 31 31 CYS CA C 13 59.176 0.069 . 1 . . . . 204 C CA . 17387 1 99 . 1 1 31 31 CYS CB C 13 32.618 0.008 . 1 . . . . 204 C CB . 17387 1 100 . 1 1 31 31 CYS N N 15 118.779 0.044 . 1 . . . . 204 C N . 17387 1 101 . 1 1 32 32 GLY H H 1 7.697 0.002 . 1 . . . . 205 G HN . 17387 1 102 . 1 1 32 32 GLY CA C 13 46.282 0.022 . 1 . . . . 205 G CA . 17387 1 103 . 1 1 32 32 GLY N N 15 112.543 0.029 . 1 . . . . 205 G N . 17387 1 104 . 1 1 33 33 ALA H H 1 8.879 0.001 . 1 . . . . 206 A HN . 17387 1 105 . 1 1 33 33 ALA CA C 13 53.418 0.047 . 1 . . . . 206 A CA . 17387 1 106 . 1 1 33 33 ALA CB C 13 20.942 0.023 . 1 . . . . 206 A CB . 17387 1 107 . 1 1 33 33 ALA N N 15 126.024 0.015 . 1 . . . . 206 A N . 17387 1 108 . 1 1 34 34 ASP H H 1 8.594 0.002 . 1 . . . . 207 D HN . 17387 1 109 . 1 1 34 34 ASP CA C 13 55.352 0.051 . 1 . . . . 207 D CA . 17387 1 110 . 1 1 34 34 ASP CB C 13 42.561 0.000 . 1 . . . . 207 D CB . 17387 1 111 . 1 1 34 34 ASP N N 15 120.907 0.049 . 1 . . . . 207 D N . 17387 1 112 . 1 1 35 35 LYS H H 1 7.691 0.004 . 1 . . . . 208 K HN . 17387 1 113 . 1 1 35 35 LYS CA C 13 58.300 0.009 . 1 . . . . 208 K CA . 17387 1 114 . 1 1 35 35 LYS CB C 13 32.668 0.012 . 1 . . . . 208 K CB . 17387 1 115 . 1 1 35 35 LYS N N 15 124.114 0.041 . 1 . . . . 208 K N . 17387 1 116 . 1 1 36 36 PHE H H 1 7.904 0.005 . 1 . . . . 209 F HN . 17387 1 117 . 1 1 36 36 PHE CA C 13 57.761 0.099 . 1 . . . . 209 F CA . 17387 1 118 . 1 1 36 36 PHE CB C 13 39.309 0.025 . 1 . . . . 209 F CB . 17387 1 119 . 1 1 36 36 PHE N N 15 119.637 0.181 . 1 . . . . 209 F N . 17387 1 120 . 1 1 37 37 ASP H H 1 7.929 0.002 . 1 . . . . 210 D HN . 17387 1 121 . 1 1 37 37 ASP CA C 13 54.498 0.067 . 1 . . . . 210 D CA . 17387 1 122 . 1 1 37 37 ASP CB C 13 41.399 0.004 . 1 . . . . 210 D CB . 17387 1 123 . 1 1 37 37 ASP N N 15 122.106 0.015 . 1 . . . . 210 D N . 17387 1 124 . 1 1 38 38 SER H H 1 8.083 0.011 . 1 . . . . 211 S HN . 17387 1 125 . 1 1 38 38 SER CA C 13 58.676 0.026 . 1 . . . . 211 S CA . 17387 1 126 . 1 1 38 38 SER CB C 13 64.184 0.015 . 1 . . . . 211 S CB . 17387 1 127 . 1 1 38 38 SER N N 15 116.080 0.102 . 1 . . . . 211 S N . 17387 1 128 . 1 1 39 39 GLU H H 1 8.302 0.003 . 1 . . . . 212 E HN . 17387 1 129 . 1 1 39 39 GLU CA C 13 56.759 0.027 . 1 . . . . 212 E CA . 17387 1 130 . 1 1 39 39 GLU CB C 13 30.276 0.068 . 1 . . . . 212 E CB . 17387 1 131 . 1 1 39 39 GLU N N 15 122.696 0.034 . 1 . . . . 212 E N . 17387 1 132 . 1 1 40 40 GLN H H 1 7.960 0.002 . 1 . . . . 213 Q HN . 17387 1 133 . 1 1 40 40 GLN CA C 13 57.543 0.000 . 1 . . . . 213 Q CA . 17387 1 134 . 1 1 40 40 GLN CB C 13 30.181 0.000 . 1 . . . . 213 Q CB . 17387 1 135 . 1 1 40 40 GLN N N 15 126.353 0.015 . 1 . . . . 213 Q N . 17387 1 stop_ save_