data_17133 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17133 _Entry.Title ; Chemical shift assignments for the RanBP2-type ZnF from Ewing's Sarcoma (EWS) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-18 _Entry.Accession_date 2010-08-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Wilfred Leung . . . 17133 2 Robyn Mansfield . E. . 17133 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17133 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 120 17133 '15N chemical shifts' 38 17133 '1H chemical shifts' 162 17133 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 2010-08-18 update BMRB 'update entry citation' 17133 1 . . 2011-01-25 2010-08-18 original author 'original release' 17133 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17133 _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. . 17133 1 2 Robyn Mansfield . E. . 17133 1 3 Wilfred Leung . . . 17133 1 4 Paula Vaz . M. . 17133 1 5 Fionna Loughlin . E. . 17133 1 6 Richard Grant . P. . 17133 1 7 Joel Mackay . P. . 17133 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17133 _Assembly.ID 1 _Assembly.Name EWS _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 EWS 1 $EWS A . yes native no no . . . 17133 1 2 ZN 2 $ZN B . no native no no . . . 17133 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EWS _Entity.Sf_category entity _Entity.Sf_framecode EWS _Entity.Entry_ID 17133 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EWS _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 ; GSNVQHRAGDWQCPNPGCGN QNFAWRTECNQCKAPKPEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAB29301 . "unnamed protein product [Mus musculus]" . . . . . 100.00 333 97.44 97.44 1.17e-18 . . . . 17133 1 2 no DBJ BAB31732 . "unnamed protein product [Mus musculus]" . . . . . 100.00 655 97.44 97.44 1.81e-18 . . . . 17133 1 3 no DBJ BAB71145 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 661 97.44 97.44 1.73e-18 . . . . 17133 1 4 no DBJ BAB71252 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 600 97.44 97.44 1.59e-18 . . . . 17133 1 5 no DBJ BAE02261 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 655 97.44 97.44 1.88e-18 . . . . 17133 1 6 no EMBL CAA47350 . "RNA binding protein [Homo sapiens]" . . . . . 100.00 656 97.44 97.44 1.71e-18 . . . . 17133 1 7 no EMBL CAA51489 . "EWS [Homo sapiens]" . . . . . 100.00 656 97.44 97.44 1.71e-18 . . . . 17133 1 8 no EMBL CAA55815 . "EWS [Mus musculus]" . . . . . 100.00 655 97.44 97.44 1.79e-18 . . . . 17133 1 9 no EMBL CAA69177 . "RNA binding protein [Homo sapiens]" . . . . . 100.00 656 97.44 97.44 1.71e-18 . . . . 17133 1 10 no EMBL CAG30376 . "EWSR1 [Homo sapiens]" . . . . . 100.00 655 97.44 97.44 1.78e-18 . . . . 17133 1 11 no GB AAH04817 . "Ewing sarcoma breakpoint region 1 [Homo sapiens]" . . . . . 100.00 656 97.44 97.44 1.71e-18 . . . . 17133 1 12 no GB AAH11048 . "Ewing sarcoma breakpoint region 1 [Homo sapiens]" . . . . . 100.00 655 97.44 97.44 1.78e-18 . . . . 17133 1 13 no GB AAH63928 . "hypothetical protein MGC76258 [Xenopus (Silurana) tropicalis]" . . . . . 82.05 674 100.00 100.00 1.80e-14 . . . . 17133 1 14 no GB AAH68226 . "Ewing sarcoma breakpoint region 1 [Mus musculus]" . . . . . 100.00 656 97.44 97.44 1.80e-18 . . . . 17133 1 15 no GB AAH72442 . "Ewing sarcoma breakpoint region 1 [Homo sapiens]" . . . . . 100.00 655 97.44 97.44 1.78e-18 . . . . 17133 1 16 no PRF 1818357A . "EWS gene" . . . . . 100.00 656 97.44 97.44 1.71e-18 . . . . 17133 1 17 no REF NP_001020803 . "RNA-binding protein EWS [Rattus norvegicus]" . . . . . 100.00 655 97.44 97.44 1.69e-18 . . . . 17133 1 18 no REF NP_001089902 . "uncharacterized protein LOC734969 [Xenopus laevis]" . . . . . 82.05 667 100.00 100.00 1.89e-14 . . . . 17133 1 19 no REF NP_001103270 . "RNA-binding protein EWS [Bos taurus]" . . . . . 100.00 655 97.44 97.44 1.74e-18 . . . . 17133 1 20 no REF NP_001156757 . "RNA-binding protein EWS isoform 3 [Homo sapiens]" . . . . . 100.00 655 97.44 97.44 1.78e-18 . . . . 17133 1 21 no REF NP_001156758 . "RNA-binding protein EWS isoform 4 [Homo sapiens]" . . . . . 100.00 600 97.44 97.44 1.60e-18 . . . . 17133 1 22 no SP Q01844 . "RecName: Full=RNA-binding protein EWS; AltName: Full=EWS oncogene; AltName: Full=Ewing sarcoma breakpoint region 1 protein" . . . . . 100.00 656 97.44 97.44 1.71e-18 . . . . 17133 1 23 no SP Q61545 . "RecName: Full=RNA-binding protein EWS" . . . . . 100.00 655 97.44 97.44 1.81e-18 . . . . 17133 1 24 no TPG DAA20531 . "TPA: Ewing sarcoma breakpoint region 1 [Bos taurus]" . . . . . 100.00 655 97.44 97.44 1.74e-18 . . . . 17133 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 . GLY . 17133 1 2 . SER . 17133 1 3 . ASN . 17133 1 4 . VAL . 17133 1 5 . GLN . 17133 1 6 . HIS . 17133 1 7 . ARG . 17133 1 8 . ALA . 17133 1 9 . GLY . 17133 1 10 . ASP . 17133 1 11 . TRP . 17133 1 12 . GLN . 17133 1 13 . CYS . 17133 1 14 . PRO . 17133 1 15 . ASN . 17133 1 16 . PRO . 17133 1 17 . GLY . 17133 1 18 . CYS . 17133 1 19 . GLY . 17133 1 20 . ASN . 17133 1 21 . GLN . 17133 1 22 . ASN . 17133 1 23 . PHE . 17133 1 24 . ALA . 17133 1 25 . TRP . 17133 1 26 . ARG . 17133 1 27 . THR . 17133 1 28 . GLU . 17133 1 29 . CYS . 17133 1 30 . ASN . 17133 1 31 . GLN . 17133 1 32 . CYS . 17133 1 33 . LYS . 17133 1 34 . ALA . 17133 1 35 . PRO . 17133 1 36 . LYS . 17133 1 37 . PRO . 17133 1 38 . GLU . 17133 1 39 . GLY . 17133 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 17133 1 . SER 2 2 17133 1 . ASN 3 3 17133 1 . VAL 4 4 17133 1 . GLN 5 5 17133 1 . HIS 6 6 17133 1 . ARG 7 7 17133 1 . ALA 8 8 17133 1 . GLY 9 9 17133 1 . ASP 10 10 17133 1 . TRP 11 11 17133 1 . GLN 12 12 17133 1 . CYS 13 13 17133 1 . PRO 14 14 17133 1 . ASN 15 15 17133 1 . PRO 16 16 17133 1 . GLY 17 17 17133 1 . CYS 18 18 17133 1 . GLY 19 19 17133 1 . ASN 20 20 17133 1 . GLN 21 21 17133 1 . ASN 22 22 17133 1 . PHE 23 23 17133 1 . ALA 24 24 17133 1 . TRP 25 25 17133 1 . ARG 26 26 17133 1 . THR 27 27 17133 1 . GLU 28 28 17133 1 . CYS 29 29 17133 1 . ASN 30 30 17133 1 . GLN 31 31 17133 1 . CYS 32 32 17133 1 . LYS 33 33 17133 1 . ALA 34 34 17133 1 . PRO 35 35 17133 1 . LYS 36 36 17133 1 . PRO 37 37 17133 1 . GLU 38 38 17133 1 . GLY 39 39 17133 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17133 _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 no _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 . 17133 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 17133 _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 $EWS . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17133 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 17133 _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 $EWS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-2T . . . . . . 17133 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 17133 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _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 no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 17133 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17133 ZN [Zn++] SMILES CACTVS 3.341 17133 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17133 ZN [Zn+2] SMILES ACDLabs 10.04 17133 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17133 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17133 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 17133 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17133 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 17133 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17133 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 EWS '[U-100% 13C; U-100% 15N]' . . 1 $EWS . . 0.5 . . mM . . . . 17133 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17133 1 3 DSS 'natural abundance' . . . . . . 20 . . uM . . . . 17133 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17133 1 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17133 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17133 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17133 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 17133 _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' 0.1 . M 17133 1 pH 7 . pH 17133 1 pressure 1 . atm 17133 1 temperature 298 . K 17133 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17133 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17133 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17133 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17133 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17133 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17133 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 17133 _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 17133 _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 . . . 17133 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 17133 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17133 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17133 _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 na indirect 0.251449530 . . . . . . . . . 17133 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17133 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17133 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 17133 _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' . . . 17133 1 2 '2D 1H-13C HSQC' . . . 17133 1 3 '3D CBCA(CO)NH' . . . 17133 1 4 '3D HNCO' . . . 17133 1 5 '3D HBHA(CO)NH' . . . 17133 1 6 '3D HNCACB' . . . 17133 1 7 '3D HCCH-TOCSY' . . . 17133 1 8 '3D H(CCO)NH' . . . 17133 1 9 '3D C(CO)NH' . . . 17133 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 ASN HA H 1 4.694 0.002 . 1 . . . . 3 N HA . 17133 1 2 . 1 1 3 3 ASN HB2 H 1 2.745 0.001 . 2 . . . . 3 N HB2 . 17133 1 3 . 1 1 3 3 ASN HD21 H 1 7.587 0.003 . 2 . . . . 3 N HD21 . 17133 1 4 . 1 1 3 3 ASN HD22 H 1 6.914 0.003 . 2 . . . . 3 N HD22 . 17133 1 5 . 1 1 3 3 ASN C C 13 175.170 0.000 . . . . . . 3 N CO . 17133 1 6 . 1 1 3 3 ASN CA C 13 53.321 0.013 . 1 . . . . 3 N CA . 17133 1 7 . 1 1 3 3 ASN CB C 13 38.686 0.016 . 1 . . . . 3 N CB . 17133 1 8 . 1 1 3 3 ASN ND2 N 15 113.119 0.001 . 1 . . . . 3 N ND2 . 17133 1 9 . 1 1 4 4 VAL H H 1 8.088 0.001 . 1 . . . . 4 V HN . 17133 1 10 . 1 1 4 4 VAL HA H 1 4.021 0.001 . 1 . . . . 4 V HA . 17133 1 11 . 1 1 4 4 VAL HB H 1 1.970 0.006 . 1 . . . . 4 V HB . 17133 1 12 . 1 1 4 4 VAL HG11 H 1 0.805 0.000 . . . . . . 4 V QG1 . 17133 1 13 . 1 1 4 4 VAL HG12 H 1 0.805 0.000 . . . . . . 4 V QG1 . 17133 1 14 . 1 1 4 4 VAL HG13 H 1 0.805 0.000 . . . . . . 4 V QG1 . 17133 1 15 . 1 1 4 4 VAL HG21 H 1 0.847 0.000 . . . . . . 4 V QG2 . 17133 1 16 . 1 1 4 4 VAL HG22 H 1 0.847 0.000 . . . . . . 4 V QG2 . 17133 1 17 . 1 1 4 4 VAL HG23 H 1 0.847 0.000 . . . . . . 4 V QG2 . 17133 1 18 . 1 1 4 4 VAL C C 13 175.969 0.000 . . . . . . 4 V CO . 17133 1 19 . 1 1 4 4 VAL CA C 13 62.419 0.021 . 1 . . . . 4 V CA . 17133 1 20 . 1 1 4 4 VAL CB C 13 32.753 0.042 . 1 . . . . 4 V CB . 17133 1 21 . 1 1 4 4 VAL N N 15 120.551 0.012 . 1 . . . . 4 V N . 17133 1 22 . 1 1 5 5 GLN H H 1 8.417 0.001 . 1 . . . . 5 Q HN . 17133 1 23 . 1 1 5 5 GLN HE21 H 1 7.503 0.002 . 2 . . . . 5 Q HE21 . 17133 1 24 . 1 1 5 5 GLN HE22 H 1 6.845 0.002 . 2 . . . . 5 Q HE22 . 17133 1 25 . 1 1 5 5 GLN CA C 13 55.774 0.000 . 1 . . . . 5 Q CA . 17133 1 26 . 1 1 5 5 GLN CB C 13 29.496 0.024 . 1 . . . . 5 Q CB . 17133 1 27 . 1 1 5 5 GLN CG C 13 33.859 0.055 . 1 . . . . 5 Q CG . 17133 1 28 . 1 1 5 5 GLN N N 15 124.113 0.018 . 1 . . . . 5 Q N . 17133 1 29 . 1 1 5 5 GLN NE2 N 15 112.617 0.000 . 1 . . . . 5 Q NE2 . 17133 1 30 . 1 1 7 7 ARG HA H 1 4.320 0.007 . 1 . . . . 7 R HA . 17133 1 31 . 1 1 7 7 ARG HB2 H 1 1.821 0.003 . 2 . . . . 7 R HB2 . 17133 1 32 . 1 1 7 7 ARG HB3 H 1 1.718 0.005 . 2 . . . . 7 R HB3 . 17133 1 33 . 1 1 7 7 ARG HD2 H 1 3.186 0.000 . 2 . . . . 7 R QD . 17133 1 34 . 1 1 7 7 ARG HD3 H 1 3.186 0.000 . 2 . . . . 7 R QD . 17133 1 35 . 1 1 7 7 ARG HG2 H 1 1.562 0.006 . 2 . . . . 7 R QG . 17133 1 36 . 1 1 7 7 ARG HG3 H 1 1.562 0.006 . 2 . . . . 7 R QG . 17133 1 37 . 1 1 7 7 ARG C C 13 175.775 0.000 . . . . . . 7 R CO . 17133 1 38 . 1 1 7 7 ARG CA C 13 55.703 0.093 . 1 . . . . 7 R CA . 17133 1 39 . 1 1 7 7 ARG CB C 13 31.068 0.009 . 1 . . . . 7 R CB . 17133 1 40 . 1 1 7 7 ARG CD C 13 43.373 0.000 . 1 . . . . 7 R CD . 17133 1 41 . 1 1 7 7 ARG CG C 13 27.108 0.000 . 1 . . . . 7 R CG . 17133 1 42 . 1 1 8 8 ALA H H 1 8.430 0.002 . 1 . . . . 8 A HN . 17133 1 43 . 1 1 8 8 ALA HA H 1 4.279 0.005 . 1 . . . . 8 A HA . 17133 1 44 . 1 1 8 8 ALA HB1 H 1 1.383 0.008 . 1 . . . . 8 A HB . 17133 1 45 . 1 1 8 8 ALA HB2 H 1 1.383 0.008 . 1 . . . . 8 A HB . 17133 1 46 . 1 1 8 8 ALA HB3 H 1 1.383 0.008 . 1 . . . . 8 A HB . 17133 1 47 . 1 1 8 8 ALA C C 13 178.199 0.000 . . . . . . 8 A CO . 17133 1 48 . 1 1 8 8 ALA CA C 13 52.931 0.068 . 1 . . . . 8 A CA . 17133 1 49 . 1 1 8 8 ALA CB C 13 19.278 0.036 . 1 . . . . 8 A CB . 17133 1 50 . 1 1 8 8 ALA N N 15 125.929 0.026 . 1 . . . . 8 A N . 17133 1 51 . 1 1 9 9 GLY H H 1 8.512 0.002 . 1 . . . . 9 G HN . 17133 1 52 . 1 1 9 9 GLY HA2 H 1 3.992 0.000 . 2 . . . . 9 G HA2 . 17133 1 53 . 1 1 9 9 GLY HA3 H 1 3.975 0.000 . 2 . . . . 9 G HA3 . 17133 1 54 . 1 1 9 9 GLY C C 13 174.091 0.000 . . . . . . 9 G CO . 17133 1 55 . 1 1 9 9 GLY CA C 13 45.224 0.022 . 1 . . . . 9 G CA . 17133 1 56 . 1 1 9 9 GLY N N 15 109.335 0.014 . 1 . . . . 9 G N . 17133 1 57 . 1 1 10 10 ASP H H 1 8.042 0.001 . 1 . . . . 10 D HN . 17133 1 58 . 1 1 10 10 ASP HA H 1 4.677 0.009 . 1 . . . . 10 D HA . 17133 1 59 . 1 1 10 10 ASP HB2 H 1 2.458 0.006 . 2 . . . . 10 D QB . 17133 1 60 . 1 1 10 10 ASP HB3 H 1 2.458 0.006 . 2 . . . . 10 D QB . 17133 1 61 . 1 1 10 10 ASP C C 13 176.104 0.000 . . . . . . 10 D CO . 17133 1 62 . 1 1 10 10 ASP CA C 13 55.323 0.074 . 1 . . . . 10 D CA . 17133 1 63 . 1 1 10 10 ASP CB C 13 40.890 0.011 . 1 . . . . 10 D CB . 17133 1 64 . 1 1 10 10 ASP N N 15 122.516 0.009 . 1 . . . . 10 D N . 17133 1 65 . 1 1 11 11 TRP H H 1 8.719 0.002 . 1 . . . . 11 W HN . 17133 1 66 . 1 1 11 11 TRP HA H 1 5.021 0.005 . 1 . . . . 11 W HA . 17133 1 67 . 1 1 11 11 TRP HB2 H 1 3.050 0.044 . 2 . . . . 11 W HB2 . 17133 1 68 . 1 1 11 11 TRP HB3 H 1 3.091 0.026 . 2 . . . . 11 W HB3 . 17133 1 69 . 1 1 11 11 TRP C C 13 173.747 0.000 . . . . . . 11 W CO . 17133 1 70 . 1 1 11 11 TRP CA C 13 53.713 0.092 . 1 . . . . 11 W CA . 17133 1 71 . 1 1 11 11 TRP CB C 13 31.020 0.029 . 1 . . . . 11 W CB . 17133 1 72 . 1 1 11 11 TRP N N 15 118.317 0.010 . 1 . . . . 11 W N . 17133 1 73 . 1 1 12 12 GLN H H 1 8.853 0.001 . 1 . . . . 12 Q HN . 17133 1 74 . 1 1 12 12 GLN HA H 1 4.229 0.006 . 1 . . . . 12 Q HA . 17133 1 75 . 1 1 12 12 GLN HB2 H 1 1.856 0.002 . 2 . . . . 12 Q HB2 . 17133 1 76 . 1 1 12 12 GLN HB3 H 1 1.871 0.000 . 2 . . . . 12 Q HB3 . 17133 1 77 . 1 1 12 12 GLN HE21 H 1 7.528 0.001 . 2 . . . . 12 Q HE21 . 17133 1 78 . 1 1 12 12 GLN HE22 H 1 6.714 0.002 . 2 . . . . 12 Q HE22 . 17133 1 79 . 1 1 12 12 GLN HG2 H 1 2.188 0.010 . 2 . . . . 12 Q HG2 . 17133 1 80 . 1 1 12 12 GLN HG3 H 1 1.988 0.000 . 2 . . . . 12 Q HG3 . 17133 1 81 . 1 1 12 12 GLN C C 13 175.169 0.000 . . . . . . 12 Q CO . 17133 1 82 . 1 1 12 12 GLN CA C 13 54.672 0.062 . 1 . . . . 12 Q CA . 17133 1 83 . 1 1 12 12 GLN CB C 13 29.663 0.040 . 1 . . . . 12 Q CB . 17133 1 84 . 1 1 12 12 GLN CG C 13 33.706 0.029 . 1 . . . . 12 Q CG . 17133 1 85 . 1 1 12 12 GLN N N 15 123.609 0.013 . 1 . . . . 12 Q N . 17133 1 86 . 1 1 12 12 GLN NE2 N 15 111.892 0.001 . 1 . . . . 12 Q NE2 . 17133 1 87 . 1 1 13 13 CYS H H 1 8.691 0.002 . 1 . . . . 13 C HN . 17133 1 88 . 1 1 13 13 CYS CA C 13 57.817 0.000 . 1 . . . . 13 C CA . 17133 1 89 . 1 1 13 13 CYS CB C 13 32.234 0.000 . 1 . . . . 13 C CB . 17133 1 90 . 1 1 13 13 CYS N N 15 131.754 0.024 . 1 . . . . 13 C N . 17133 1 91 . 1 1 14 14 PRO HA H 1 4.578 0.011 . 1 . . . . 14 P HA . 17133 1 92 . 1 1 14 14 PRO HB2 H 1 2.171 0.000 . 2 . . . . 14 P HB2 . 17133 1 93 . 1 1 14 14 PRO HB3 H 1 2.156 0.000 . 2 . . . . 14 P HB3 . 17133 1 94 . 1 1 14 14 PRO HG2 H 1 1.925 0.002 . 2 . . . . 14 P HG2 . 17133 1 95 . 1 1 14 14 PRO HG3 H 1 2.088 0.001 . 2 . . . . 14 P HG3 . 17133 1 96 . 1 1 14 14 PRO C C 13 176.650 0.000 . . . . . . 14 P CO . 17133 1 97 . 1 1 14 14 PRO CA C 13 63.447 0.095 . 1 . . . . 14 P CA . 17133 1 98 . 1 1 14 14 PRO CB C 13 32.270 0.001 . 1 . . . . 14 P CB . 17133 1 99 . 1 1 14 14 PRO CD C 13 51.615 0.000 . 1 . . . . 14 P CD . 17133 1 100 . 1 1 14 14 PRO CG C 13 26.459 0.007 . 1 . . . . 14 P CG . 17133 1 101 . 1 1 15 15 ASN H H 1 9.095 0.002 . 1 . . . . 15 N HN . 17133 1 102 . 1 1 15 15 ASN HD21 H 1 8.058 0.001 . 2 . . . . 15 N HD21 . 17133 1 103 . 1 1 15 15 ASN HD22 H 1 7.135 0.002 . 2 . . . . 15 N HD22 . 17133 1 104 . 1 1 15 15 ASN CA C 13 51.359 0.041 . 1 . . . . 15 N CA . 17133 1 105 . 1 1 15 15 ASN CB C 13 39.047 0.062 . 1 . . . . 15 N CB . 17133 1 106 . 1 1 15 15 ASN N N 15 126.912 0.026 . 1 . . . . 15 N N . 17133 1 107 . 1 1 15 15 ASN ND2 N 15 114.326 0.001 . 1 . . . . 15 N ND2 . 17133 1 108 . 1 1 16 16 PRO HA H 1 4.250 0.007 . 1 . . . . 16 P HA . 17133 1 109 . 1 1 16 16 PRO HB2 H 1 2.272 0.009 . 2 . . . . 16 P HB2 . 17133 1 110 . 1 1 16 16 PRO HB3 H 1 1.901 0.010 . 2 . . . . 16 P HB3 . 17133 1 111 . 1 1 16 16 PRO HG2 H 1 2.035 0.000 . 2 . . . . 16 P QG . 17133 1 112 . 1 1 16 16 PRO HG3 H 1 2.035 0.000 . 2 . . . . 16 P QG . 17133 1 113 . 1 1 16 16 PRO C C 13 177.818 0.000 . . . . . . 16 P CO . 17133 1 114 . 1 1 16 16 PRO CA C 13 64.444 0.021 . 1 . . . . 16 P CA . 17133 1 115 . 1 1 16 16 PRO CB C 13 31.805 0.028 . 1 . . . . 16 P CB . 17133 1 116 . 1 1 16 16 PRO CD C 13 51.457 0.000 . 1 . . . . 16 P CD . 17133 1 117 . 1 1 16 16 PRO CG C 13 27.375 0.000 . 1 . . . . 16 P CG . 17133 1 118 . 1 1 17 17 GLY H H 1 8.193 0.002 . 1 . . . . 17 G HN . 17133 1 119 . 1 1 17 17 GLY C C 13 172.981 0.000 . . . . . . 17 G CO . 17133 1 120 . 1 1 17 17 GLY CA C 13 45.244 0.096 . 1 . . . . 17 G CA . 17133 1 121 . 1 1 17 17 GLY N N 15 107.542 0.031 . 1 . . . . 17 G N . 17133 1 122 . 1 1 18 18 CYS H H 1 7.951 0.003 . 1 . . . . 18 C HN . 17133 1 123 . 1 1 18 18 CYS HA H 1 4.411 0.006 . 1 . . . . 18 C HA . 17133 1 124 . 1 1 18 18 CYS HB2 H 1 2.582 0.007 . 2 . . . . 18 C HB2 . 17133 1 125 . 1 1 18 18 CYS HB3 H 1 3.107 0.007 . 2 . . . . 18 C HB3 . 17133 1 126 . 1 1 18 18 CYS C C 13 175.905 0.000 . . . . . . 18 C CO . 17133 1 127 . 1 1 18 18 CYS CA C 13 59.966 0.024 . 1 . . . . 18 C CA . 17133 1 128 . 1 1 18 18 CYS CB C 13 31.078 0.021 . 1 . . . . 18 C CB . 17133 1 129 . 1 1 18 18 CYS N N 15 123.673 0.027 . 1 . . . . 18 C N . 17133 1 130 . 1 1 19 19 GLY H H 1 7.727 0.001 . 1 . . . . 19 G HN . 17133 1 131 . 1 1 19 19 GLY HA2 H 1 3.946 0.000 . 2 . . . . 19 G HA2 . 17133 1 132 . 1 1 19 19 GLY HA3 H 1 3.950 0.000 . 2 . . . . 19 G HA3 . 17133 1 133 . 1 1 19 19 GLY C C 13 173.781 0.000 . . . . . . 19 G CO . 17133 1 134 . 1 1 19 19 GLY CA C 13 46.194 0.000 . 1 . . . . 19 G CA . 17133 1 135 . 1 1 19 19 GLY N N 15 104.382 0.014 . 1 . . . . 19 G N . 17133 1 136 . 1 1 20 20 ASN H H 1 8.438 0.001 . 1 . . . . 20 N HN . 17133 1 137 . 1 1 20 20 ASN HA H 1 4.256 0.006 . 1 . . . . 20 N HA . 17133 1 138 . 1 1 20 20 ASN HB2 H 1 2.506 0.005 . 2 . . . . 20 N HB2 . 17133 1 139 . 1 1 20 20 ASN HB3 H 1 2.581 0.002 . 2 . . . . 20 N HB3 . 17133 1 140 . 1 1 20 20 ASN HD21 H 1 6.877 0.002 . 2 . . . . 20 N HD21 . 17133 1 141 . 1 1 20 20 ASN HD22 H 1 6.837 0.000 . 2 . . . . 20 N HD22 . 17133 1 142 . 1 1 20 20 ASN C C 13 173.846 0.000 . . . . . . 20 N CO . 17133 1 143 . 1 1 20 20 ASN CA C 13 54.713 0.070 . 1 . . . . 20 N CA . 17133 1 144 . 1 1 20 20 ASN CB C 13 40.944 0.085 . 1 . . . . 20 N CB . 17133 1 145 . 1 1 20 20 ASN N N 15 121.355 0.034 . 1 . . . . 20 N N . 17133 1 146 . 1 1 20 20 ASN ND2 N 15 117.192 0.001 . 1 . . . . 20 N ND2 . 17133 1 147 . 1 1 21 21 GLN H H 1 7.963 0.008 . 1 . . . . 21 Q HN . 17133 1 148 . 1 1 21 21 GLN HA H 1 4.170 0.005 . 1 . . . . 21 Q HA . 17133 1 149 . 1 1 21 21 GLN HB2 H 1 1.663 0.005 . 2 . . . . 21 Q HB2 . 17133 1 150 . 1 1 21 21 GLN HB3 H 1 2.059 0.000 . 2 . . . . 21 Q HB3 . 17133 1 151 . 1 1 21 21 GLN HE21 H 1 7.360 0.003 . 2 . . . . 21 Q HE21 . 17133 1 152 . 1 1 21 21 GLN HE22 H 1 6.586 0.004 . 2 . . . . 21 Q HE22 . 17133 1 153 . 1 1 21 21 GLN HG2 H 1 2.037 0.000 . 2 . . . . 21 Q HG2 . 17133 1 154 . 1 1 21 21 GLN C C 13 174.536 0.000 . . . . . . 21 Q CO . 17133 1 155 . 1 1 21 21 GLN CA C 13 55.092 0.160 . 1 . . . . 21 Q CA . 17133 1 156 . 1 1 21 21 GLN CB C 13 28.650 0.031 . 1 . . . . 21 Q CB . 17133 1 157 . 1 1 21 21 GLN CG C 13 33.014 0.087 . 1 . . . . 21 Q CG . 17133 1 158 . 1 1 21 21 GLN N N 15 123.551 0.030 . 1 . . . . 21 Q N . 17133 1 159 . 1 1 21 21 GLN NE2 N 15 110.545 0.000 . 1 . . . . 21 Q NE2 . 17133 1 160 . 1 1 22 22 ASN H H 1 8.506 0.002 . 1 . . . . 22 N HN . 17133 1 161 . 1 1 22 22 ASN HA H 1 4.277 0.001 . 1 . . . . 22 N HA . 17133 1 162 . 1 1 22 22 ASN HB2 H 1 1.240 0.004 . 2 . . . . 22 N QB . 17133 1 163 . 1 1 22 22 ASN HB3 H 1 1.240 0.004 . 2 . . . . 22 N QB . 17133 1 164 . 1 1 22 22 ASN C C 13 173.441 0.000 . . . . . . 22 N CO . 17133 1 165 . 1 1 22 22 ASN CA C 13 52.247 0.011 . 1 . . . . 22 N CA . 17133 1 166 . 1 1 22 22 ASN CB C 13 43.281 0.007 . 1 . . . . 22 N CB . 17133 1 167 . 1 1 22 22 ASN N N 15 122.428 0.020 . 1 . . . . 22 N N . 17133 1 168 . 1 1 23 23 PHE H H 1 6.764 0.001 . 1 . . . . 23 F HN . 17133 1 169 . 1 1 23 23 PHE HA H 1 4.458 0.006 . 1 . . . . 23 F HA . 17133 1 170 . 1 1 23 23 PHE HB2 H 1 2.480 0.006 . 2 . . . . 23 F HB2 . 17133 1 171 . 1 1 23 23 PHE HB3 H 1 1.402 0.007 . 2 . . . . 23 F HB3 . 17133 1 172 . 1 1 23 23 PHE C C 13 177.540 0.000 . . . . . . 23 F CO . 17133 1 173 . 1 1 23 23 PHE CA C 13 56.490 0.033 . 1 . . . . 23 F CA . 17133 1 174 . 1 1 23 23 PHE CB C 13 39.376 0.077 . 1 . . . . 23 F CB . 17133 1 175 . 1 1 23 23 PHE N N 15 116.962 0.013 . 1 . . . . 23 F N . 17133 1 176 . 1 1 24 24 ALA H H 1 9.003 0.001 . 1 . . . . 24 A HN . 17133 1 177 . 1 1 24 24 ALA HA H 1 4.103 0.008 . 1 . . . . 24 A HA . 17133 1 178 . 1 1 24 24 ALA HB1 H 1 1.502 0.007 . 1 . . . . 24 A HB . 17133 1 179 . 1 1 24 24 ALA HB2 H 1 1.502 0.007 . 1 . . . . 24 A HB . 17133 1 180 . 1 1 24 24 ALA HB3 H 1 1.502 0.007 . 1 . . . . 24 A HB . 17133 1 181 . 1 1 24 24 ALA C C 13 177.500 0.000 . . . . . . 24 A CO . 17133 1 182 . 1 1 24 24 ALA CA C 13 55.605 0.073 . 1 . . . . 24 A CA . 17133 1 183 . 1 1 24 24 ALA CB C 13 20.085 0.006 . 1 . . . . 24 A CB . 17133 1 184 . 1 1 24 24 ALA N N 15 122.209 0.036 . 1 . . . . 24 A N . 17133 1 185 . 1 1 25 25 TRP H H 1 6.727 0.001 . 1 . . . . 25 W HN . 17133 1 186 . 1 1 25 25 TRP HA H 1 4.518 0.005 . 1 . . . . 25 W HA . 17133 1 187 . 1 1 25 25 TRP HB2 H 1 3.601 0.009 . 2 . . . . 25 W HB2 . 17133 1 188 . 1 1 25 25 TRP HB3 H 1 3.202 0.010 . 2 . . . . 25 W HB3 . 17133 1 189 . 1 1 25 25 TRP C C 13 177.307 0.000 . . . . . . 25 W CO . 17133 1 190 . 1 1 25 25 TRP CA C 13 55.775 0.105 . 1 . . . . 25 W CA . 17133 1 191 . 1 1 25 25 TRP CB C 13 28.282 0.037 . 1 . . . . 25 W CB . 17133 1 192 . 1 1 25 25 TRP N N 15 108.574 0.008 . 1 . . . . 25 W N . 17133 1 193 . 1 1 26 26 ARG H H 1 7.763 0.001 . 1 . . . . 26 R HN . 17133 1 194 . 1 1 26 26 ARG HA H 1 4.421 0.004 . 1 . . . . 26 R HA . 17133 1 195 . 1 1 26 26 ARG HB2 H 1 1.826 0.004 . 2 . . . . 26 R HB2 . 17133 1 196 . 1 1 26 26 ARG HB3 H 1 1.963 0.005 . 2 . . . . 26 R HB3 . 17133 1 197 . 1 1 26 26 ARG HD2 H 1 3.165 0.008 . 2 . . . . 26 R QD . 17133 1 198 . 1 1 26 26 ARG HD3 H 1 3.165 0.008 . 2 . . . . 26 R QD . 17133 1 199 . 1 1 26 26 ARG HG2 H 1 1.098 0.006 . 2 . . . . 26 R QG . 17133 1 200 . 1 1 26 26 ARG HG3 H 1 1.098 0.006 . 2 . . . . 26 R QG . 17133 1 201 . 1 1 26 26 ARG C C 13 177.156 0.000 . . . . . . 26 R CO . 17133 1 202 . 1 1 26 26 ARG CA C 13 56.847 0.067 . 1 . . . . 26 R CA . 17133 1 203 . 1 1 26 26 ARG CB C 13 30.286 0.008 . 1 . . . . 26 R CB . 17133 1 204 . 1 1 26 26 ARG CD C 13 43.426 0.031 . 1 . . . . 26 R CD . 17133 1 205 . 1 1 26 26 ARG CG C 13 27.882 0.000 . 1 . . . . 26 R CG . 17133 1 206 . 1 1 26 26 ARG N N 15 122.872 0.010 . 1 . . . . 26 R N . 17133 1 207 . 1 1 27 27 THR H H 1 8.780 0.003 . 1 . . . . 27 T HN . 17133 1 208 . 1 1 27 27 THR HA H 1 4.458 0.008 . 1 . . . . 27 T HA . 17133 1 209 . 1 1 27 27 THR HB H 1 4.143 0.001 . 1 . . . . 27 T HB . 17133 1 210 . 1 1 27 27 THR HG21 H 1 1.231 0.000 . . . . . . 27 T HG2 . 17133 1 211 . 1 1 27 27 THR HG22 H 1 1.231 0.000 . . . . . . 27 T HG2 . 17133 1 212 . 1 1 27 27 THR HG23 H 1 1.231 0.000 . . . . . . 27 T HG2 . 17133 1 213 . 1 1 27 27 THR C C 13 174.538 0.000 . . . . . . 27 T CO . 17133 1 214 . 1 1 27 27 THR CA C 13 62.395 0.063 . 1 . . . . 27 T CA . 17133 1 215 . 1 1 27 27 THR CB C 13 68.765 0.011 . 1 . . . . 27 T CB . 17133 1 216 . 1 1 27 27 THR CG2 C 13 22.283 0.000 . . . . . . 27 T CG . 17133 1 217 . 1 1 27 27 THR N N 15 112.201 0.025 . 1 . . . . 27 T N . 17133 1 218 . 1 1 28 28 GLU H H 1 7.711 0.003 . 1 . . . . 28 E HN . 17133 1 219 . 1 1 28 28 GLU HA H 1 5.120 0.001 . 1 . . . . 28 E HA . 17133 1 220 . 1 1 28 28 GLU HB2 H 1 1.654 0.001 . 2 . . . . 28 E HB2 . 17133 1 221 . 1 1 28 28 GLU HB3 H 1 1.921 0.004 . 2 . . . . 28 E HB3 . 17133 1 222 . 1 1 28 28 GLU HG2 H 1 2.070 0.000 . 2 . . . . 28 E HG2 . 17133 1 223 . 1 1 28 28 GLU C C 13 174.611 0.000 . . . . . . 28 E CO . 17133 1 224 . 1 1 28 28 GLU CA C 13 54.117 0.011 . 1 . . . . 28 E CA . 17133 1 225 . 1 1 28 28 GLU CB C 13 32.578 0.008 . 1 . . . . 28 E CB . 17133 1 226 . 1 1 28 28 GLU CG C 13 35.112 0.000 . 1 . . . . 28 E CG . 17133 1 227 . 1 1 28 28 GLU N N 15 119.548 0.036 . 1 . . . . 28 E N . 17133 1 228 . 1 1 29 29 CYS H H 1 9.676 0.001 . 1 . . . . 29 C HN . 17133 1 229 . 1 1 29 29 CYS HA H 1 3.956 0.004 . 1 . . . . 29 C HA . 17133 1 230 . 1 1 29 29 CYS HB2 H 1 3.279 0.006 . 2 . . . . 29 C HB2 . 17133 1 231 . 1 1 29 29 CYS HB3 H 1 3.062 0.007 . 2 . . . . 29 C HB3 . 17133 1 232 . 1 1 29 29 CYS C C 13 178.264 0.000 . . . . . . 29 C CO . 17133 1 233 . 1 1 29 29 CYS CA C 13 58.722 0.145 . 1 . . . . 29 C CA . 17133 1 234 . 1 1 29 29 CYS CB C 13 30.967 0.008 . 1 . . . . 29 C CB . 17133 1 235 . 1 1 29 29 CYS N N 15 126.419 0.020 . 1 . . . . 29 C N . 17133 1 236 . 1 1 30 30 ASN H H 1 8.525 0.001 . 1 . . . . 30 N HN . 17133 1 237 . 1 1 30 30 ASN HA H 1 4.405 0.006 . 1 . . . . 30 N HA . 17133 1 238 . 1 1 30 30 ASN HB2 H 1 2.723 0.004 . 2 . . . . 30 N HB2 . 17133 1 239 . 1 1 30 30 ASN HB3 H 1 2.473 0.006 . 2 . . . . 30 N HB3 . 17133 1 240 . 1 1 30 30 ASN HD21 H 1 7.525 0.003 . 2 . . . . 30 N HD21 . 17133 1 241 . 1 1 30 30 ASN HD22 H 1 6.948 0.003 . 2 . . . . 30 N HD22 . 17133 1 242 . 1 1 30 30 ASN C C 13 174.913 0.000 . . . . . . 30 N CO . 17133 1 243 . 1 1 30 30 ASN CA C 13 56.017 0.053 . 1 . . . . 30 N CA . 17133 1 244 . 1 1 30 30 ASN CB C 13 38.729 0.060 . 1 . . . . 30 N CB . 17133 1 245 . 1 1 30 30 ASN N N 15 127.313 0.012 . 1 . . . . 30 N N . 17133 1 246 . 1 1 30 30 ASN ND2 N 15 113.138 0.002 . 1 . . . . 30 N ND2 . 17133 1 247 . 1 1 31 31 GLN H H 1 9.065 0.002 . 1 . . . . 31 Q HN . 17133 1 248 . 1 1 31 31 GLN HA H 1 4.366 0.006 . 1 . . . . 31 Q HA . 17133 1 249 . 1 1 31 31 GLN HB2 H 1 2.020 0.006 . 2 . . . . 31 Q HB2 . 17133 1 250 . 1 1 31 31 GLN HB3 H 1 1.761 0.006 . 2 . . . . 31 Q HB3 . 17133 1 251 . 1 1 31 31 GLN HE21 H 1 7.352 0.003 . 2 . . . . 31 Q HE21 . 17133 1 252 . 1 1 31 31 GLN HE22 H 1 6.801 0.003 . 2 . . . . 31 Q HE22 . 17133 1 253 . 1 1 31 31 GLN HG2 H 1 2.180 0.011 . 2 . . . . 31 Q HG2 . 17133 1 254 . 1 1 31 31 GLN HG3 H 1 2.168 0.000 . 2 . . . . 31 Q HG3 . 17133 1 255 . 1 1 31 31 GLN C C 13 176.652 0.000 . . . . . . 31 Q CO . 17133 1 256 . 1 1 31 31 GLN CA C 13 57.543 0.047 . 1 . . . . 31 Q CA . 17133 1 257 . 1 1 31 31 GLN CB C 13 30.330 0.049 . 1 . . . . 31 Q CB . 17133 1 258 . 1 1 31 31 GLN CG C 13 33.507 0.075 . 1 . . . . 31 Q CG . 17133 1 259 . 1 1 31 31 GLN N N 15 120.707 0.007 . 1 . . . . 31 Q N . 17133 1 260 . 1 1 31 31 GLN NE2 N 15 112.454 0.000 . 1 . . . . 31 Q NE2 . 17133 1 261 . 1 1 32 32 CYS H H 1 8.102 0.002 . 1 . . . . 32 C HN . 17133 1 262 . 1 1 32 32 CYS HA H 1 4.906 0.005 . 1 . . . . 32 C HA . 17133 1 263 . 1 1 32 32 CYS HB2 H 1 3.115 0.007 . 2 . . . . 32 C HB2 . 17133 1 264 . 1 1 32 32 CYS HB3 H 1 2.648 0.009 . 2 . . . . 32 C HB3 . 17133 1 265 . 1 1 32 32 CYS C C 13 176.384 0.000 . . . . . . 32 C CO . 17133 1 266 . 1 1 32 32 CYS CA C 13 59.064 0.136 . 1 . . . . 32 C CA . 17133 1 267 . 1 1 32 32 CYS CB C 13 31.993 0.032 . 1 . . . . 32 C CB . 17133 1 268 . 1 1 32 32 CYS N N 15 118.378 0.029 . 1 . . . . 32 C N . 17133 1 269 . 1 1 33 33 LYS H H 1 7.716 0.003 . 1 . . . . 33 K HN . 17133 1 270 . 1 1 33 33 LYS HA H 1 4.066 0.006 . 1 . . . . 33 K HA . 17133 1 271 . 1 1 33 33 LYS HB2 H 1 2.038 0.051 . 2 . . . . 33 K HB2 . 17133 1 272 . 1 1 33 33 LYS HB3 H 1 2.094 0.042 . 2 . . . . 33 K HB3 . 17133 1 273 . 1 1 33 33 LYS HD2 H 1 1.599 0.000 . 2 . . . . 33 K HD2 . 17133 1 274 . 1 1 33 33 LYS HG2 H 1 1.300 0.000 . 2 . . . . 33 K HG2 . 17133 1 275 . 1 1 33 33 LYS HG3 H 1 1.246 0.000 . 2 . . . . 33 K HG3 . 17133 1 276 . 1 1 33 33 LYS C C 13 174.898 0.000 . . . . . . 33 K CO . 17133 1 277 . 1 1 33 33 LYS CA C 13 58.636 0.054 . 1 . . . . 33 K CA . 17133 1 278 . 1 1 33 33 LYS CB C 13 29.600 0.005 . 1 . . . . 33 K CB . 17133 1 279 . 1 1 33 33 LYS CD C 13 28.921 0.000 . 1 . . . . 33 K CD . 17133 1 280 . 1 1 33 33 LYS CE C 13 42.351 0.000 . 1 . . . . 33 K CE . 17133 1 281 . 1 1 33 33 LYS CG C 13 25.476 0.000 . 1 . . . . 33 K CG . 17133 1 282 . 1 1 33 33 LYS N N 15 117.253 0.004 . 1 . . . . 33 K N . 17133 1 283 . 1 1 34 34 ALA H H 1 9.013 0.001 . 1 . . . . 34 A HN . 17133 1 284 . 1 1 34 34 ALA CA C 13 51.967 0.000 . 1 . . . . 34 A CA . 17133 1 285 . 1 1 34 34 ALA CB C 13 18.870 0.000 . 1 . . . . 34 A CB . 17133 1 286 . 1 1 34 34 ALA N N 15 127.711 0.015 . 1 . . . . 34 A N . 17133 1 287 . 1 1 35 35 PRO HA H 1 4.520 0.000 . 1 . . . . 35 P HA . 17133 1 288 . 1 1 35 35 PRO HB2 H 1 2.298 0.000 . 2 . . . . 35 P HB2 . 17133 1 289 . 1 1 35 35 PRO HB3 H 1 1.750 0.000 . 2 . . . . 35 P HB3 . 17133 1 290 . 1 1 35 35 PRO C C 13 175.794 0.000 . . . . . . 35 P CO . 17133 1 291 . 1 1 35 35 PRO CA C 13 62.365 0.033 . 1 . . . . 35 P CA . 17133 1 292 . 1 1 35 35 PRO CB C 13 32.238 0.023 . 1 . . . . 35 P CB . 17133 1 293 . 1 1 35 35 PRO CD C 13 50.420 0.000 . 1 . . . . 35 P CD . 17133 1 294 . 1 1 35 35 PRO CG C 13 27.456 0.000 . 1 . . . . 35 P CG . 17133 1 295 . 1 1 36 36 LYS H H 1 7.293 0.002 . 1 . . . . 36 K HN . 17133 1 296 . 1 1 36 36 LYS CA C 13 54.281 0.000 . 1 . . . . 36 K CA . 17133 1 297 . 1 1 36 36 LYS CB C 13 33.552 0.000 . 1 . . . . 36 K CB . 17133 1 298 . 1 1 36 36 LYS N N 15 123.246 0.029 . 1 . . . . 36 K N . 17133 1 299 . 1 1 37 37 PRO HA H 1 4.238 0.004 . 1 . . . . 37 P HA . 17133 1 300 . 1 1 37 37 PRO HB2 H 1 2.187 0.010 . 2 . . . . 37 P HB2 . 17133 1 301 . 1 1 37 37 PRO HB3 H 1 1.793 0.006 . 2 . . . . 37 P HB3 . 17133 1 302 . 1 1 37 37 PRO C C 13 176.453 0.000 . . . . . . 37 P CO . 17133 1 303 . 1 1 37 37 PRO CA C 13 62.873 0.034 . 1 . . . . 37 P CA . 17133 1 304 . 1 1 37 37 PRO CB C 13 32.260 0.013 . 1 . . . . 37 P CB . 17133 1 305 . 1 1 37 37 PRO CD C 13 51.391 0.000 . 1 . . . . 37 P CD . 17133 1 306 . 1 1 37 37 PRO CG C 13 27.332 0.000 . 1 . . . . 37 P CG . 17133 1 307 . 1 1 38 38 GLU H H 1 8.392 0.002 . 1 . . . . 38 E HN . 17133 1 308 . 1 1 38 38 GLU HA H 1 4.124 0.007 . 1 . . . . 38 E HA . 17133 1 309 . 1 1 38 38 GLU HB2 H 1 1.955 0.007 . 2 . . . . 38 E HB2 . 17133 1 310 . 1 1 38 38 GLU HB3 H 1 1.810 0.007 . 2 . . . . 38 E HB3 . 17133 1 311 . 1 1 38 38 GLU HG2 H 1 2.175 0.014 . 2 . . . . 38 E HG2 . 17133 1 312 . 1 1 38 38 GLU HG3 H 1 2.149 0.000 . 2 . . . . 38 E HG3 . 17133 1 313 . 1 1 38 38 GLU C C 13 175.941 0.000 . . . . . . 38 E CO . 17133 1 314 . 1 1 38 38 GLU CA C 13 56.483 0.129 . 1 . . . . 38 E CA . 17133 1 315 . 1 1 38 38 GLU CB C 13 30.762 0.026 . 1 . . . . 38 E CB . 17133 1 316 . 1 1 38 38 GLU CG C 13 36.316 0.043 . 1 . . . . 38 E CG . 17133 1 317 . 1 1 38 38 GLU N N 15 122.675 0.018 . 1 . . . . 38 E N . 17133 1 318 . 1 1 39 39 GLY H H 1 7.937 0.005 . 1 . . . . 39 G HN . 17133 1 319 . 1 1 39 39 GLY CA C 13 46.212 0.000 . 1 . . . . 39 G CA . 17133 1 320 . 1 1 39 39 GLY N N 15 116.349 0.025 . 1 . . . . 39 G N . 17133 1 stop_ save_