data_25433 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25433 _Entry.Title ; NMR structure of the first Zinc Finger domain of RBM10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-16 _Entry.Accession_date 2015-01-16 _Entry.Last_release_date 2015-01-26 _Entry.Original_release_date 2015-01-26 _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 NMR' _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 Pedro Serrano . . . 25433 2 Kurt Wuthrich . . . 25433 3 Michael Geralt . . . 25433 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 25433 2 PSI:Biology 'Partnership for T-Cell Biology' . 25433 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Zinc Finger' . 25433 Splicing . 25433 'RNA binding domain' . 25433 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25433 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 228 25433 '13C chemical shifts' 140 25433 '15N chemical shifts' 39 25433 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 1 . . 2015-01-26 2015-01-16 original author . 25433 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MXV 'BMRB Entry Tracking System' 25433 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25433 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the first Zinc Finger domain of RBM10' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Pedro Serrano . . . 25433 1 2 Michael Geralt . . . 25433 1 3 Kurt Wuthrich . . . 25433 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25433 _Assembly.ID 1 _Assembly.Name RBM10_ZnF1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity_1 A . yes native no no . . . 25433 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 25433 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 CYS 12 12 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 25433 1 2 coordinate single . 1 . 1 CYS 15 15 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 25433 1 3 coordinate single . 1 . 1 CYS 26 26 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 25433 1 4 coordinate single . 1 . 1 CYS 29 29 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 25433 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25433 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMPKINEDWLCNKCGVQNF KRREKCFKCGVPKSEAEQKL PLG ; _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4957.872 _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 17386 . RBM10_ZnF . . . . . 81.40 41 100.00 100.00 9.01e-16 . . . . 25433 1 2 no PDB 2MXV . "Nmr Structure Of The First Zinc Finger Domain Of Rbm10" . . . . . 100.00 43 100.00 100.00 3.36e-22 . . . . 25433 1 3 no DBJ BAA09471 . "KIAA0122 [Homo sapiens]" . . . . . 93.02 929 100.00 100.00 1.27e-20 . . . . 25433 1 4 no DBJ BAA12144 . "S1-1 protein [Rattus norvegicus]" . . . . . 93.02 852 100.00 100.00 1.01e-20 . . . . 25433 1 5 no DBJ BAC31087 . "unnamed protein product [Mus musculus]" . . . . . 93.02 557 100.00 100.00 8.23e-22 . . . . 25433 1 6 no DBJ BAC40753 . "unnamed protein product [Mus musculus]" . . . . . 93.02 853 100.00 100.00 1.01e-20 . . . . 25433 1 7 no DBJ BAC65490 . "mKIAA0122 protein [Mus musculus]" . . . . . 93.02 857 100.00 100.00 9.36e-21 . . . . 25433 1 8 no EMBL CAD97933 . "hypothetical protein [Homo sapiens]" . . . . . 93.02 995 100.00 100.00 1.35e-20 . . . . 25433 1 9 no EMBL CAL37951 . "hypothetical protein [synthetic construct]" . . . . . 93.02 995 100.00 100.00 1.35e-20 . . . . 25433 1 10 no GB AAH00681 . "RBM10 protein, partial [Homo sapiens]" . . . . . 93.02 541 100.00 100.00 6.74e-22 . . . . 25433 1 11 no GB AAH03089 . "RNA binding motif protein 10 [Homo sapiens]" . . . . . 93.02 852 100.00 100.00 1.18e-20 . . . . 25433 1 12 no GB AAH04181 . "RNA binding motif protein 10 [Homo sapiens]" . . . . . 93.02 930 100.00 100.00 1.12e-20 . . . . 25433 1 13 no GB AAH04674 . "RNA binding motif protein 10 [Mus musculus]" . . . . . 93.02 930 100.00 100.00 1.04e-20 . . . . 25433 1 14 no GB AAH08733 . "RNA binding motif protein 10 [Homo sapiens]" . . . . . 93.02 930 100.00 100.00 1.12e-20 . . . . 25433 1 15 no REF NP_001161247 . "RNA-binding protein 10 isoform 2 [Mus musculus]" . . . . . 93.02 929 100.00 100.00 1.08e-20 . . . . 25433 1 16 no REF NP_001161248 . "RNA-binding protein 10 isoform 3 [Mus musculus]" . . . . . 93.02 853 100.00 100.00 1.01e-20 . . . . 25433 1 17 no REF NP_001191395 . "RNA-binding protein 10 isoform 3 [Homo sapiens]" . . . . . 93.02 853 100.00 100.00 1.07e-20 . . . . 25433 1 18 no REF NP_001191396 . "RNA-binding protein 10 isoform 4 [Homo sapiens]" . . . . . 93.02 929 100.00 100.00 1.12e-20 . . . . 25433 1 19 no REF NP_001191397 . "RNA-binding protein 10 isoform 5 [Homo sapiens]" . . . . . 93.02 995 100.00 100.00 1.35e-20 . . . . 25433 1 20 no SP P70501 . "RecName: Full=RNA-binding protein 10; AltName: Full=RNA-binding motif protein 10; AltName: Full=RNA-binding protein S1-1" . . . . . 93.02 852 100.00 100.00 1.01e-20 . . . . 25433 1 21 no SP P98175 . "RecName: Full=RNA-binding protein 10; AltName: Full=G patch domain-containing protein 9; AltName: Full=RNA-binding motif protei" . . . . . 93.02 930 100.00 100.00 1.12e-20 . . . . 25433 1 22 no SP Q99KG3 . "RecName: Full=RNA-binding protein 10; AltName: Full=RNA-binding motif protein 10" . . . . . 93.02 930 100.00 100.00 1.04e-20 . . . . 25433 1 23 no TPG DAA12902 . "TPA: RNA binding motif protein 10 isoform 1 [Bos taurus]" . . . . . 93.02 995 100.00 100.00 2.13e-20 . . . . 25433 1 24 no TPG DAA12903 . "TPA: RNA binding motif protein 10 isoform 2 [Bos taurus]" . . . . . 93.02 852 100.00 100.00 1.19e-20 . . . . 25433 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 1 GLY . 25433 1 2 2 HIS . 25433 1 3 3 MET . 25433 1 4 4 PRO . 25433 1 5 5 LYS . 25433 1 6 6 ILE . 25433 1 7 7 ASN . 25433 1 8 8 GLU . 25433 1 9 9 ASP . 25433 1 10 10 TRP . 25433 1 11 11 LEU . 25433 1 12 12 CYS . 25433 1 13 13 ASN . 25433 1 14 14 LYS . 25433 1 15 15 CYS . 25433 1 16 16 GLY . 25433 1 17 17 VAL . 25433 1 18 18 GLN . 25433 1 19 19 ASN . 25433 1 20 20 PHE . 25433 1 21 21 LYS . 25433 1 22 22 ARG . 25433 1 23 23 ARG . 25433 1 24 24 GLU . 25433 1 25 25 LYS . 25433 1 26 26 CYS . 25433 1 27 27 PHE . 25433 1 28 28 LYS . 25433 1 29 29 CYS . 25433 1 30 30 GLY . 25433 1 31 31 VAL . 25433 1 32 32 PRO . 25433 1 33 33 LYS . 25433 1 34 34 SER . 25433 1 35 35 GLU . 25433 1 36 36 ALA . 25433 1 37 37 GLU . 25433 1 38 38 GLN . 25433 1 39 39 LYS . 25433 1 40 40 LEU . 25433 1 41 41 PRO . 25433 1 42 42 LEU . 25433 1 43 43 GLY . 25433 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 25433 1 . HIS 2 2 25433 1 . MET 3 3 25433 1 . PRO 4 4 25433 1 . LYS 5 5 25433 1 . ILE 6 6 25433 1 . ASN 7 7 25433 1 . GLU 8 8 25433 1 . ASP 9 9 25433 1 . TRP 10 10 25433 1 . LEU 11 11 25433 1 . CYS 12 12 25433 1 . ASN 13 13 25433 1 . LYS 14 14 25433 1 . CYS 15 15 25433 1 . GLY 16 16 25433 1 . VAL 17 17 25433 1 . GLN 18 18 25433 1 . ASN 19 19 25433 1 . PHE 20 20 25433 1 . LYS 21 21 25433 1 . ARG 22 22 25433 1 . ARG 23 23 25433 1 . GLU 24 24 25433 1 . LYS 25 25 25433 1 . CYS 26 26 25433 1 . PHE 27 27 25433 1 . LYS 28 28 25433 1 . CYS 29 29 25433 1 . GLY 30 30 25433 1 . VAL 31 31 25433 1 . PRO 32 32 25433 1 . LYS 33 33 25433 1 . SER 34 34 25433 1 . GLU 35 35 25433 1 . ALA 36 36 25433 1 . GLU 37 37 25433 1 . GLN 38 38 25433 1 . LYS 39 39 25433 1 . LEU 40 40 25433 1 . PRO 41 41 25433 1 . LEU 42 42 25433 1 . GLY 43 43 25433 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25433 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25433 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 25433 2 ZN 'Three letter code' 25433 2 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 1 ZN $chem_comp_ZN 25433 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 25433 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25433 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 25433 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28b . . . . . . 25433 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 25433 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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 25433 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25433 ZN [Zn++] SMILES CACTVS 3.341 25433 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25433 ZN [Zn+2] SMILES ACDLabs 10.04 25433 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25433 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25433 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 25433 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25433 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25433 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25433 _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 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 25433 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25433 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25433 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25433 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25433 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25433 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 25433 _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 temperature 298 . K 25433 1 pH 6.0 . pH 25433 1 pressure 1 . atm 25433 1 'ionic strength' 0.0798 . M 25433 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25433 _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' . . 25433 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25433 1 processing 25433 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25433 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 25433 2 'Herrman & Wuthrich' . . 25433 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25433 2 'chemical shift assignment' 25433 2 'peak picking' 25433 2 'structure solution' 25433 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25433 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25433 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25433 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25433 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25433 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25433 4 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 25433 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25433 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25433 _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 Avance . 600 . . . 25433 1 2 spectrometer_2 Bruker Avance . 800 . . . 25433 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 25433 _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 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25433 1 2 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25433 1 3 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25433 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25433 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25433 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25433 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25433 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 25433 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25433 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25433 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25433 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 25433 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.18 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _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 'APSY 4D-HACANH' . . . 25433 1 2 'APSY 5D-HACACONH' . . . 25433 1 3 'APSY 5D-CBCACONH' . . . 25433 1 5 '3D 1H-15N NOESY' . . . 25433 1 6 '3D 1H-13C NOESY aliphatic' . . . 25433 1 7 '3D 1H-13C NOESY aromatic' . . . 25433 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 7 7 ASN H H 1 8.535 0.007 . . . . . A 7 ASN H . 25433 1 2 . 1 1 7 7 ASN HB2 H 1 2.732 0.007 . . . . . A 7 ASN HB2 . 25433 1 3 . 1 1 7 7 ASN HB3 H 1 2.830 0.007 . . . . . A 7 ASN HB3 . 25433 1 4 . 1 1 7 7 ASN HD21 H 1 6.845 0.007 . . . . . A 7 ASN HD21 . 25433 1 5 . 1 1 7 7 ASN HD22 H 1 7.564 0.007 . . . . . A 7 ASN HD22 . 25433 1 6 . 1 1 7 7 ASN CB C 13 30.000 0.18 . . . . . A 7 ASN CB . 25433 1 7 . 1 1 7 7 ASN N N 15 121.300 0.12 . . . . . A 7 ASN N . 25433 1 8 . 1 1 7 7 ASN ND2 N 15 111.451 0.12 . . . . . A 7 ASN ND2 . 25433 1 9 . 1 1 8 8 GLU H H 1 8.372 0.007 . . . . . A 8 GLU H . 25433 1 10 . 1 1 8 8 GLU HA H 1 4.440 0.007 . . . . . A 8 GLU HA . 25433 1 11 . 1 1 8 8 GLU HB2 H 1 1.906 0.007 . . . . . A 8 GLU HB2 . 25433 1 12 . 1 1 8 8 GLU HB3 H 1 2.199 0.007 . . . . . A 8 GLU HB3 . 25433 1 13 . 1 1 8 8 GLU HG2 H 1 2.166 0.007 . . . . . A 8 GLU HG2 . 25433 1 14 . 1 1 8 8 GLU HG3 H 1 2.267 0.007 . . . . . A 8 GLU HG3 . 25433 1 15 . 1 1 8 8 GLU C C 13 175.693 0.18 . . . . . A 8 GLU C . 25433 1 16 . 1 1 8 8 GLU CA C 13 55.855 0.18 . . . . . A 8 GLU CA . 25433 1 17 . 1 1 8 8 GLU CB C 13 31.029 0.18 . . . . . A 8 GLU CB . 25433 1 18 . 1 1 8 8 GLU CG C 13 36.658 0.18 . . . . . A 8 GLU CG . 25433 1 19 . 1 1 8 8 GLU N N 15 119.801 0.12 . . . . . A 8 GLU N . 25433 1 20 . 1 1 9 9 ASP H H 1 8.158 0.007 . . . . . A 9 ASP H . 25433 1 21 . 1 1 9 9 ASP HA H 1 4.727 0.007 . . . . . A 9 ASP HA . 25433 1 22 . 1 1 9 9 ASP HB2 H 1 2.510 0.007 . . . . . A 9 ASP HB2 . 25433 1 23 . 1 1 9 9 ASP HB3 H 1 2.580 0.007 . . . . . A 9 ASP HB3 . 25433 1 24 . 1 1 9 9 ASP C C 13 175.618 0.18 . . . . . A 9 ASP C . 25433 1 25 . 1 1 9 9 ASP CA C 13 54.857 0.18 . . . . . A 9 ASP CA . 25433 1 26 . 1 1 9 9 ASP CB C 13 41.330 0.18 . . . . . A 9 ASP CB . 25433 1 27 . 1 1 9 9 ASP N N 15 120.567 0.12 . . . . . A 9 ASP N . 25433 1 28 . 1 1 10 10 TRP H H 1 8.476 0.007 . . . . . A 10 TRP H . 25433 1 29 . 1 1 10 10 TRP HA H 1 5.014 0.007 . . . . . A 10 TRP HA . 25433 1 30 . 1 1 10 10 TRP HB2 H 1 3.283 0.007 . . . . . A 10 TRP HB2 . 25433 1 31 . 1 1 10 10 TRP HB3 H 1 3.105 0.007 . . . . . A 10 TRP HB3 . 25433 1 32 . 1 1 10 10 TRP HD1 H 1 7.081 0.007 . . . . . A 10 TRP HD1 . 25433 1 33 . 1 1 10 10 TRP HE1 H 1 9.678 0.007 . . . . . A 10 TRP HE1 . 25433 1 34 . 1 1 10 10 TRP HE3 H 1 7.287 0.007 . . . . . A 10 TRP HE3 . 25433 1 35 . 1 1 10 10 TRP HZ2 H 1 6.676 0.007 . . . . . A 10 TRP HZ2 . 25433 1 36 . 1 1 10 10 TRP HZ3 H 1 6.946 0.007 . . . . . A 10 TRP HZ3 . 25433 1 37 . 1 1 10 10 TRP HH2 H 1 6.758 0.007 . . . . . A 10 TRP HH2 . 25433 1 38 . 1 1 10 10 TRP C C 13 173.732 0.18 . . . . . A 10 TRP C . 25433 1 39 . 1 1 10 10 TRP CA C 13 54.037 0.18 . . . . . A 10 TRP CA . 25433 1 40 . 1 1 10 10 TRP CB C 13 31.370 0.18 . . . . . A 10 TRP CB . 25433 1 41 . 1 1 10 10 TRP CD1 C 13 125.275 0.18 . . . . . A 10 TRP CD1 . 25433 1 42 . 1 1 10 10 TRP CE3 C 13 118.065 0.18 . . . . . A 10 TRP CE3 . 25433 1 43 . 1 1 10 10 TRP CZ2 C 13 110.966 0.18 . . . . . A 10 TRP CZ2 . 25433 1 44 . 1 1 10 10 TRP CZ3 C 13 118.400 0.18 . . . . . A 10 TRP CZ3 . 25433 1 45 . 1 1 10 10 TRP CH2 C 13 120.669 0.18 . . . . . A 10 TRP CH2 . 25433 1 46 . 1 1 10 10 TRP N N 15 116.757 0.12 . . . . . A 10 TRP N . 25433 1 47 . 1 1 10 10 TRP NE1 N 15 128.795 0.12 . . . . . A 10 TRP NE1 . 25433 1 48 . 1 1 11 11 LEU H H 1 8.810 0.007 . . . . . A 11 LEU H . 25433 1 49 . 1 1 11 11 LEU HA H 1 4.519 0.007 . . . . . A 11 LEU HA . 25433 1 50 . 1 1 11 11 LEU HB3 H 1 1.496 0.007 . . . . . A 11 LEU HB3 . 25433 1 51 . 1 1 11 11 LEU HG H 1 1.326 0.007 . . . . . A 11 LEU HG . 25433 1 52 . 1 1 11 11 LEU HD11 H 1 0.702 0.007 . . . . . A 11 LEU QD1 . 25433 1 53 . 1 1 11 11 LEU HD12 H 1 0.702 0.007 . . . . . A 11 LEU QD1 . 25433 1 54 . 1 1 11 11 LEU HD13 H 1 0.702 0.007 . . . . . A 11 LEU QD1 . 25433 1 55 . 1 1 11 11 LEU HD21 H 1 0.737 0.007 . . . . . A 11 LEU QD2 . 25433 1 56 . 1 1 11 11 LEU HD22 H 1 0.737 0.007 . . . . . A 11 LEU QD2 . 25433 1 57 . 1 1 11 11 LEU HD23 H 1 0.737 0.007 . . . . . A 11 LEU QD2 . 25433 1 58 . 1 1 11 11 LEU C C 13 176.547 0.18 . . . . . A 11 LEU C . 25433 1 59 . 1 1 11 11 LEU CA C 13 53.317 0.18 . . . . . A 11 LEU CA . 25433 1 60 . 1 1 11 11 LEU CB C 13 43.660 0.18 . . . . . A 11 LEU CB . 25433 1 61 . 1 1 11 11 LEU CG C 13 26.929 0.18 . . . . . A 11 LEU CG . 25433 1 62 . 1 1 11 11 LEU CD1 C 13 24.178 0.18 . . . . . A 11 LEU CD1 . 25433 1 63 . 1 1 11 11 LEU CD2 C 13 24.729 0.18 . . . . . A 11 LEU CD2 . 25433 1 64 . 1 1 11 11 LEU N N 15 122.486 0.12 . . . . . A 11 LEU N . 25433 1 65 . 1 1 12 12 CYS H H 1 8.574 0.007 . . . . . A 12 CYS H . 25433 1 66 . 1 1 12 12 CYS HA H 1 4.587 0.007 . . . . . A 12 CYS HA . 25433 1 67 . 1 1 12 12 CYS HB2 H 1 3.027 0.007 . . . . . A 12 CYS HB2 . 25433 1 68 . 1 1 12 12 CYS HB3 H 1 2.573 0.007 . . . . . A 12 CYS HB3 . 25433 1 69 . 1 1 12 12 CYS C C 13 177.636 0.18 . . . . . A 12 CYS C . 25433 1 70 . 1 1 12 12 CYS CA C 13 59.506 0.18 . . . . . A 12 CYS CA . 25433 1 71 . 1 1 12 12 CYS CB C 13 31.330 0.18 . . . . . A 12 CYS CB . 25433 1 72 . 1 1 12 12 CYS N N 15 126.739 0.12 . . . . . A 12 CYS N . 25433 1 73 . 1 1 13 13 ASN H H 1 9.229 0.007 . . . . . A 13 ASN H . 25433 1 74 . 1 1 13 13 ASN HA H 1 4.534 0.007 . . . . . A 13 ASN HA . 25433 1 75 . 1 1 13 13 ASN HB2 H 1 2.895 0.007 . . . . . A 13 ASN HB2 . 25433 1 76 . 1 1 13 13 ASN HB3 H 1 2.795 0.007 . . . . . A 13 ASN HB3 . 25433 1 77 . 1 1 13 13 ASN HD21 H 1 6.883 0.007 . . . . . A 13 ASN HD21 . 25433 1 78 . 1 1 13 13 ASN HD22 H 1 7.513 0.007 . . . . . A 13 ASN HD22 . 25433 1 79 . 1 1 13 13 ASN C C 13 175.471 0.18 . . . . . A 13 ASN C . 25433 1 80 . 1 1 13 13 ASN CA C 13 54.972 0.18 . . . . . A 13 ASN CA . 25433 1 81 . 1 1 13 13 ASN CB C 13 38.776 0.18 . . . . . A 13 ASN CB . 25433 1 82 . 1 1 13 13 ASN N N 15 127.516 0.12 . . . . . A 13 ASN N . 25433 1 83 . 1 1 13 13 ASN ND2 N 15 111.204 0.12 . . . . . A 13 ASN ND2 . 25433 1 84 . 1 1 14 14 LYS H H 1 9.274 0.007 . . . . . A 14 LYS H . 25433 1 85 . 1 1 14 14 LYS HA H 1 4.359 0.007 . . . . . A 14 LYS HA . 25433 1 86 . 1 1 14 14 LYS HB2 H 1 1.966 0.007 . . . . . A 14 LYS HB2 . 25433 1 87 . 1 1 14 14 LYS HG2 H 1 1.435 0.007 . . . . . A 14 LYS HG2 . 25433 1 88 . 1 1 14 14 LYS HG3 H 1 1.466 0.007 . . . . . A 14 LYS HG3 . 25433 1 89 . 1 1 14 14 LYS HD2 H 1 1.645 0.007 . . . . . A 14 LYS QD . 25433 1 90 . 1 1 14 14 LYS HD3 H 1 1.645 0.007 . . . . . A 14 LYS QD . 25433 1 91 . 1 1 14 14 LYS HE2 H 1 2.931 0.007 . . . . . A 14 LYS QE . 25433 1 92 . 1 1 14 14 LYS HE3 H 1 2.931 0.007 . . . . . A 14 LYS QE . 25433 1 93 . 1 1 14 14 LYS C C 13 178.199 0.18 . . . . . A 14 LYS C . 25433 1 94 . 1 1 14 14 LYS CA C 13 57.428 0.18 . . . . . A 14 LYS CA . 25433 1 95 . 1 1 14 14 LYS CB C 13 32.706 0.18 . . . . . A 14 LYS CB . 25433 1 96 . 1 1 14 14 LYS CG C 13 24.750 0.18 . . . . . A 14 LYS CG . 25433 1 97 . 1 1 14 14 LYS CD C 13 29.129 0.18 . . . . . A 14 LYS CD . 25433 1 98 . 1 1 14 14 LYS CE C 13 42.150 0.18 . . . . . A 14 LYS CE . 25433 1 99 . 1 1 14 14 LYS N N 15 120.919 0.12 . . . . . A 14 LYS N . 25433 1 100 . 1 1 15 15 CYS H H 1 9.014 0.007 . . . . . A 15 CYS H . 25433 1 101 . 1 1 15 15 CYS HA H 1 4.722 0.007 . . . . . A 15 CYS HA . 25433 1 102 . 1 1 15 15 CYS HB2 H 1 2.543 0.007 . . . . . A 15 CYS HB2 . 25433 1 103 . 1 1 15 15 CYS HB3 H 1 2.995 0.007 . . . . . A 15 CYS HB3 . 25433 1 104 . 1 1 15 15 CYS CB C 13 32.353 0.18 . . . . . A 15 CYS CB . 25433 1 105 . 1 1 15 15 CYS N N 15 119.236 0.12 . . . . . A 15 CYS N . 25433 1 106 . 1 1 16 16 GLY H H 1 7.817 0.007 . . . . . A 16 GLY H . 25433 1 107 . 1 1 16 16 GLY HA2 H 1 3.830 0.007 . . . . . A 16 GLY HA2 . 25433 1 108 . 1 1 16 16 GLY HA3 H 1 4.064 0.007 . . . . . A 16 GLY HA3 . 25433 1 109 . 1 1 16 16 GLY CA C 13 46.295 0.18 . . . . . A 16 GLY CA . 25433 1 110 . 1 1 16 16 GLY N N 15 110.235 0.12 . . . . . A 16 GLY N . 25433 1 111 . 1 1 17 17 VAL H H 1 8.220 0.007 . . . . . A 17 VAL H . 25433 1 112 . 1 1 17 17 VAL HA H 1 4.250 0.007 . . . . . A 17 VAL HA . 25433 1 113 . 1 1 17 17 VAL HB H 1 2.075 0.007 . . . . . A 17 VAL HB . 25433 1 114 . 1 1 17 17 VAL HG11 H 1 0.663 0.007 . . . . . A 17 VAL QG1 . 25433 1 115 . 1 1 17 17 VAL HG12 H 1 0.663 0.007 . . . . . A 17 VAL QG1 . 25433 1 116 . 1 1 17 17 VAL HG13 H 1 0.663 0.007 . . . . . A 17 VAL QG1 . 25433 1 117 . 1 1 17 17 VAL HG21 H 1 0.717 0.007 . . . . . A 17 VAL QG2 . 25433 1 118 . 1 1 17 17 VAL HG22 H 1 0.717 0.007 . . . . . A 17 VAL QG2 . 25433 1 119 . 1 1 17 17 VAL HG23 H 1 0.717 0.007 . . . . . A 17 VAL QG2 . 25433 1 120 . 1 1 17 17 VAL CA C 13 61.124 0.18 . . . . . A 17 VAL CA . 25433 1 121 . 1 1 17 17 VAL CB C 13 33.392 0.18 . . . . . A 17 VAL CB . 25433 1 122 . 1 1 17 17 VAL CG1 C 13 22.057 0.18 . . . . . A 17 VAL CG1 . 25433 1 123 . 1 1 17 17 VAL CG2 C 13 22.050 0.18 . . . . . A 17 VAL CG2 . 25433 1 124 . 1 1 17 17 VAL N N 15 121.337 0.12 . . . . . A 17 VAL N . 25433 1 125 . 1 1 18 18 GLN H H 1 8.218 0.007 . . . . . A 18 GLN H . 25433 1 126 . 1 1 18 18 GLN HA H 1 4.353 0.007 . . . . . A 18 GLN HA . 25433 1 127 . 1 1 18 18 GLN HB2 H 1 1.750 0.007 . . . . . A 18 GLN HB2 . 25433 1 128 . 1 1 18 18 GLN HB3 H 1 1.785 0.007 . . . . . A 18 GLN HB3 . 25433 1 129 . 1 1 18 18 GLN HG2 H 1 2.003 0.007 . . . . . A 18 GLN HG2 . 25433 1 130 . 1 1 18 18 GLN HE21 H 1 7.511 0.007 . . . . . A 18 GLN HE21 . 25433 1 131 . 1 1 18 18 GLN HE22 H 1 6.680 0.007 . . . . . A 18 GLN HE22 . 25433 1 132 . 1 1 18 18 GLN C C 13 174.823 0.18 . . . . . A 18 GLN C . 25433 1 133 . 1 1 18 18 GLN CA C 13 55.308 0.18 . . . . . A 18 GLN CA . 25433 1 134 . 1 1 18 18 GLN CB C 13 29.505 0.18 . . . . . A 18 GLN CB . 25433 1 135 . 1 1 18 18 GLN CG C 13 34.009 0.18 . . . . . A 18 GLN CG . 25433 1 136 . 1 1 18 18 GLN N N 15 121.310 0.12 . . . . . A 18 GLN N . 25433 1 137 . 1 1 18 18 GLN NE2 N 15 110.535 0.12 . . . . . A 18 GLN NE2 . 25433 1 138 . 1 1 19 19 ASN H H 1 9.041 0.007 . . . . . A 19 ASN H . 25433 1 139 . 1 1 19 19 ASN HA H 1 4.490 0.007 . . . . . A 19 ASN HA . 25433 1 140 . 1 1 19 19 ASN HB2 H 1 1.401 0.007 . . . . . A 19 ASN HB2 . 25433 1 141 . 1 1 19 19 ASN HB3 H 1 0.238 0.007 . . . . . A 19 ASN HB3 . 25433 1 142 . 1 1 19 19 ASN HD21 H 1 7.842 0.007 . . . . . A 19 ASN QD2 . 25433 1 143 . 1 1 19 19 ASN HD22 H 1 7.842 0.007 . . . . . A 19 ASN QD2 . 25433 1 144 . 1 1 19 19 ASN C C 13 173.360 0.18 . . . . . A 19 ASN C . 25433 1 145 . 1 1 19 19 ASN CA C 13 52.058 0.18 . . . . . A 19 ASN CA . 25433 1 146 . 1 1 19 19 ASN CB C 13 43.372 0.18 . . . . . A 19 ASN CB . 25433 1 147 . 1 1 19 19 ASN N N 15 122.482 0.12 . . . . . A 19 ASN N . 25433 1 148 . 1 1 19 19 ASN ND2 N 15 117.529 0.12 . . . . . A 19 ASN ND2 . 25433 1 149 . 1 1 20 20 PHE H H 1 7.846 0.007 . . . . . A 20 PHE H . 25433 1 150 . 1 1 20 20 PHE HA H 1 4.658 0.007 . . . . . A 20 PHE HA . 25433 1 151 . 1 1 20 20 PHE HB2 H 1 2.963 0.007 . . . . . A 20 PHE HB2 . 25433 1 152 . 1 1 20 20 PHE HB3 H 1 3.103 0.007 . . . . . A 20 PHE HB3 . 25433 1 153 . 1 1 20 20 PHE HD1 H 1 7.313 0.007 . . . . . A 20 PHE QD . 25433 1 154 . 1 1 20 20 PHE HD2 H 1 7.313 0.007 . . . . . A 20 PHE QD . 25433 1 155 . 1 1 20 20 PHE C C 13 176.810 0.18 . . . . . A 20 PHE C . 25433 1 156 . 1 1 20 20 PHE CA C 13 56.786 0.18 . . . . . A 20 PHE CA . 25433 1 157 . 1 1 20 20 PHE CB C 13 40.003 0.18 . . . . . A 20 PHE CB . 25433 1 158 . 1 1 20 20 PHE CD1 C 13 128.992 0.18 . . . . . A 20 PHE CD1 . 25433 1 159 . 1 1 20 20 PHE CD2 C 13 128.992 0.18 . . . . . A 20 PHE CD2 . 25433 1 160 . 1 1 20 20 PHE N N 15 117.484 0.12 . . . . . A 20 PHE N . 25433 1 161 . 1 1 21 21 LYS H H 1 8.516 0.007 . . . . . A 21 LYS H . 25433 1 162 . 1 1 21 21 LYS HA H 1 4.128 0.007 . . . . . A 21 LYS HA . 25433 1 163 . 1 1 21 21 LYS HB2 H 1 1.792 0.007 . . . . . A 21 LYS HB2 . 25433 1 164 . 1 1 21 21 LYS HB3 H 1 1.719 0.007 . . . . . A 21 LYS HB3 . 25433 1 165 . 1 1 21 21 LYS HG2 H 1 1.164 0.007 . . . . . A 21 LYS HG2 . 25433 1 166 . 1 1 21 21 LYS HG3 H 1 1.047 0.007 . . . . . A 21 LYS HG3 . 25433 1 167 . 1 1 21 21 LYS HD2 H 1 1.576 0.007 . . . . . A 21 LYS QD . 25433 1 168 . 1 1 21 21 LYS HD3 H 1 1.576 0.007 . . . . . A 21 LYS QD . 25433 1 169 . 1 1 21 21 LYS HE2 H 1 2.882 0.007 . . . . . A 21 LYS QE . 25433 1 170 . 1 1 21 21 LYS HE3 H 1 2.882 0.007 . . . . . A 21 LYS QE . 25433 1 171 . 1 1 21 21 LYS C C 13 176.254 0.18 . . . . . A 21 LYS C . 25433 1 172 . 1 1 21 21 LYS CA C 13 58.878 0.18 . . . . . A 21 LYS CA . 25433 1 173 . 1 1 21 21 LYS CB C 13 32.334 0.18 . . . . . A 21 LYS CB . 25433 1 174 . 1 1 21 21 LYS CG C 13 23.813 0.18 . . . . . A 21 LYS CG . 25433 1 175 . 1 1 21 21 LYS CD C 13 29.514 0.18 . . . . . A 21 LYS CD . 25433 1 176 . 1 1 21 21 LYS N N 15 120.464 0.12 . . . . . A 21 LYS N . 25433 1 177 . 1 1 22 22 ARG H H 1 7.125 0.007 . . . . . A 22 ARG H . 25433 1 178 . 1 1 22 22 ARG HA H 1 4.229 0.007 . . . . . A 22 ARG HA . 25433 1 179 . 1 1 22 22 ARG HB2 H 1 1.989 0.007 . . . . . A 22 ARG HB2 . 25433 1 180 . 1 1 22 22 ARG HB3 H 1 1.836 0.007 . . . . . A 22 ARG HB3 . 25433 1 181 . 1 1 22 22 ARG HG2 H 1 1.564 0.007 . . . . . A 22 ARG HG2 . 25433 1 182 . 1 1 22 22 ARG HD2 H 1 3.199 0.007 . . . . . A 22 ARG HD2 . 25433 1 183 . 1 1 22 22 ARG C C 13 176.851 0.18 . . . . . A 22 ARG C . 25433 1 184 . 1 1 22 22 ARG CA C 13 56.426 0.18 . . . . . A 22 ARG CA . 25433 1 185 . 1 1 22 22 ARG CB C 13 29.732 0.18 . . . . . A 22 ARG CB . 25433 1 186 . 1 1 22 22 ARG CG C 13 27.851 0.18 . . . . . A 22 ARG CG . 25433 1 187 . 1 1 22 22 ARG CD C 13 43.147 0.18 . . . . . A 22 ARG CD . 25433 1 188 . 1 1 22 22 ARG N N 15 112.820 0.12 . . . . . A 22 ARG N . 25433 1 189 . 1 1 23 23 ARG H H 1 8.349 0.007 . . . . . A 23 ARG H . 25433 1 190 . 1 1 23 23 ARG HA H 1 4.382 0.007 . . . . . A 23 ARG HA . 25433 1 191 . 1 1 23 23 ARG HB2 H 1 2.173 0.007 . . . . . A 23 ARG HB2 . 25433 1 192 . 1 1 23 23 ARG HG2 H 1 1.920 0.007 . . . . . A 23 ARG HG2 . 25433 1 193 . 1 1 23 23 ARG HG3 H 1 1.981 0.007 . . . . . A 23 ARG HG3 . 25433 1 194 . 1 1 23 23 ARG HD2 H 1 3.531 0.007 . . . . . A 23 ARG QD . 25433 1 195 . 1 1 23 23 ARG HD3 H 1 3.531 0.007 . . . . . A 23 ARG QD . 25433 1 196 . 1 1 23 23 ARG C C 13 177.143 0.18 . . . . . A 23 ARG C . 25433 1 197 . 1 1 23 23 ARG CA C 13 57.037 0.18 . . . . . A 23 ARG CA . 25433 1 198 . 1 1 23 23 ARG CB C 13 30.944 0.18 . . . . . A 23 ARG CB . 25433 1 199 . 1 1 23 23 ARG CG C 13 28.480 0.18 . . . . . A 23 ARG CG . 25433 1 200 . 1 1 23 23 ARG CD C 13 43.479 0.18 . . . . . A 23 ARG CD . 25433 1 201 . 1 1 23 23 ARG N N 15 119.307 0.12 . . . . . A 23 ARG N . 25433 1 202 . 1 1 24 24 GLU H H 1 8.967 0.007 . . . . . A 24 GLU H . 25433 1 203 . 1 1 24 24 GLU HA H 1 4.264 0.007 . . . . . A 24 GLU HA . 25433 1 204 . 1 1 24 24 GLU HB2 H 1 2.183 0.007 . . . . . A 24 GLU HB2 . 25433 1 205 . 1 1 24 24 GLU HB3 H 1 1.964 0.007 . . . . . A 24 GLU HB3 . 25433 1 206 . 1 1 24 24 GLU HG2 H 1 2.321 0.007 . . . . . A 24 GLU QG . 25433 1 207 . 1 1 24 24 GLU HG3 H 1 2.321 0.007 . . . . . A 24 GLU QG . 25433 1 208 . 1 1 24 24 GLU C C 13 176.371 0.18 . . . . . A 24 GLU C . 25433 1 209 . 1 1 24 24 GLU CA C 13 56.975 0.18 . . . . . A 24 GLU CA . 25433 1 210 . 1 1 24 24 GLU CB C 13 30.819 0.18 . . . . . A 24 GLU CB . 25433 1 211 . 1 1 24 24 GLU CG C 13 33.836 0.18 . . . . . A 24 GLU CG . 25433 1 212 . 1 1 24 24 GLU N N 15 120.195 0.12 . . . . . A 24 GLU N . 25433 1 213 . 1 1 25 25 LYS H H 1 7.862 0.007 . . . . . A 25 LYS H . 25433 1 214 . 1 1 25 25 LYS HA H 1 4.906 0.007 . . . . . A 25 LYS HA . 25433 1 215 . 1 1 25 25 LYS HB2 H 1 1.546 0.007 . . . . . A 25 LYS QB . 25433 1 216 . 1 1 25 25 LYS HB3 H 1 1.546 0.007 . . . . . A 25 LYS QB . 25433 1 217 . 1 1 25 25 LYS HG2 H 1 1.215 0.007 . . . . . A 25 LYS QG . 25433 1 218 . 1 1 25 25 LYS HG3 H 1 1.215 0.007 . . . . . A 25 LYS QG . 25433 1 219 . 1 1 25 25 LYS HE2 H 1 2.948 0.007 . . . . . A 25 LYS QE . 25433 1 220 . 1 1 25 25 LYS HE3 H 1 2.948 0.007 . . . . . A 25 LYS QE . 25433 1 221 . 1 1 25 25 LYS C C 13 174.820 0.18 . . . . . A 25 LYS C . 25433 1 222 . 1 1 25 25 LYS CA C 13 54.064 0.18 . . . . . A 25 LYS CA . 25433 1 223 . 1 1 25 25 LYS CB C 13 35.743 0.18 . . . . . A 25 LYS CB . 25433 1 224 . 1 1 25 25 LYS CG C 13 24.456 0.18 . . . . . A 25 LYS CG . 25433 1 225 . 1 1 25 25 LYS CE C 13 42.002 0.18 . . . . . A 25 LYS CE . 25433 1 226 . 1 1 25 25 LYS N N 15 116.632 0.12 . . . . . A 25 LYS N . 25433 1 227 . 1 1 26 26 CYS H H 1 8.678 0.007 . . . . . A 26 CYS H . 25433 1 228 . 1 1 26 26 CYS HA H 1 4.181 0.007 . . . . . A 26 CYS HA . 25433 1 229 . 1 1 26 26 CYS HB2 H 1 3.178 0.007 . . . . . A 26 CYS HB2 . 25433 1 230 . 1 1 26 26 CYS HB3 H 1 2.983 0.007 . . . . . A 26 CYS HB3 . 25433 1 231 . 1 1 26 26 CYS C C 13 178.895 0.18 . . . . . A 26 CYS C . 25433 1 232 . 1 1 26 26 CYS CA C 13 59.174 0.18 . . . . . A 26 CYS CA . 25433 1 233 . 1 1 26 26 CYS CB C 13 30.942 0.18 . . . . . A 26 CYS CB . 25433 1 234 . 1 1 26 26 CYS N N 15 124.535 0.12 . . . . . A 26 CYS N . 25433 1 235 . 1 1 27 27 PHE H H 1 9.344 0.007 . . . . . A 27 PHE H . 25433 1 236 . 1 1 27 27 PHE HA H 1 4.350 0.007 . . . . . A 27 PHE HA . 25433 1 237 . 1 1 27 27 PHE HB2 H 1 3.289 0.007 . . . . . A 27 PHE HB2 . 25433 1 238 . 1 1 27 27 PHE HB3 H 1 2.857 0.007 . . . . . A 27 PHE HB3 . 25433 1 239 . 1 1 27 27 PHE HD1 H 1 7.155 0.007 . . . . . A 27 PHE QD . 25433 1 240 . 1 1 27 27 PHE HD2 H 1 7.155 0.007 . . . . . A 27 PHE QD . 25433 1 241 . 1 1 27 27 PHE HE1 H 1 7.295 0.007 . . . . . A 27 PHE QE . 25433 1 242 . 1 1 27 27 PHE HE2 H 1 7.295 0.007 . . . . . A 27 PHE QE . 25433 1 243 . 1 1 27 27 PHE HZ H 1 7.252 0.007 . . . . . A 27 PHE HZ . 25433 1 244 . 1 1 27 27 PHE C C 13 174.408 0.18 . . . . . A 27 PHE C . 25433 1 245 . 1 1 27 27 PHE CA C 13 59.726 0.18 . . . . . A 27 PHE CA . 25433 1 246 . 1 1 27 27 PHE CB C 13 38.424 0.18 . . . . . A 27 PHE CB . 25433 1 247 . 1 1 27 27 PHE CD1 C 13 129.210 0.18 . . . . . A 27 PHE CD1 . 25433 1 248 . 1 1 27 27 PHE CD2 C 13 129.214 0.18 . . . . . A 27 PHE CD2 . 25433 1 249 . 1 1 27 27 PHE CE1 C 13 129.110 0.18 . . . . . A 27 PHE CE1 . 25433 1 250 . 1 1 27 27 PHE CE2 C 13 129.111 0.18 . . . . . A 27 PHE CE2 . 25433 1 251 . 1 1 27 27 PHE CZ C 13 127.189 0.18 . . . . . A 27 PHE CZ . 25433 1 252 . 1 1 27 27 PHE N N 15 129.286 0.12 . . . . . A 27 PHE N . 25433 1 253 . 1 1 28 28 LYS H H 1 8.765 0.007 . . . . . A 28 LYS H . 25433 1 254 . 1 1 28 28 LYS HA H 1 4.063 0.007 . . . . . A 28 LYS HA . 25433 1 255 . 1 1 28 28 LYS HB2 H 1 0.897 0.007 . . . . . A 28 LYS HB2 . 25433 1 256 . 1 1 28 28 LYS HB3 H 1 2.001 0.007 . . . . . A 28 LYS HB3 . 25433 1 257 . 1 1 28 28 LYS HG2 H 1 1.029 0.007 . . . . . A 28 LYS HG2 . 25433 1 258 . 1 1 28 28 LYS HG3 H 1 0.966 0.007 . . . . . A 28 LYS HG3 . 25433 1 259 . 1 1 28 28 LYS C C 13 177.362 0.18 . . . . . A 28 LYS C . 25433 1 260 . 1 1 28 28 LYS CA C 13 57.244 0.18 . . . . . A 28 LYS CA . 25433 1 261 . 1 1 28 28 LYS CB C 13 33.310 0.18 . . . . . A 28 LYS CB . 25433 1 262 . 1 1 28 28 LYS CG C 13 25.028 0.18 . . . . . A 28 LYS CG . 25433 1 263 . 1 1 28 28 LYS N N 15 124.525 0.12 . . . . . A 28 LYS N . 25433 1 264 . 1 1 29 29 CYS H H 1 8.357 0.007 . . . . . A 29 CYS H . 25433 1 265 . 1 1 29 29 CYS HA H 1 4.797 0.007 . . . . . A 29 CYS HA . 25433 1 266 . 1 1 29 29 CYS HB2 H 1 2.543 0.007 . . . . . A 29 CYS HB2 . 25433 1 267 . 1 1 29 29 CYS HB3 H 1 3.114 0.007 . . . . . A 29 CYS HB3 . 25433 1 268 . 1 1 29 29 CYS C C 13 177.501 0.18 . . . . . A 29 CYS C . 25433 1 269 . 1 1 29 29 CYS CA C 13 58.921 0.18 . . . . . A 29 CYS CA . 25433 1 270 . 1 1 29 29 CYS CB C 13 32.088 0.18 . . . . . A 29 CYS CB . 25433 1 271 . 1 1 29 29 CYS N N 15 117.596 0.12 . . . . . A 29 CYS N . 25433 1 272 . 1 1 30 30 GLY H H 1 7.519 0.007 . . . . . A 30 GLY H . 25433 1 273 . 1 1 30 30 GLY HA2 H 1 4.088 0.007 . . . . . A 30 GLY HA2 . 25433 1 274 . 1 1 30 30 GLY HA3 H 1 3.817 0.007 . . . . . A 30 GLY HA3 . 25433 1 275 . 1 1 30 30 GLY CA C 13 46.135 0.18 . . . . . A 30 GLY CA . 25433 1 276 . 1 1 30 30 GLY N N 15 110.623 0.12 . . . . . A 30 GLY N . 25433 1 277 . 1 1 31 31 VAL H H 1 8.120 0.007 . . . . . A 31 VAL H . 25433 1 278 . 1 1 31 31 VAL HA H 1 4.348 0.007 . . . . . A 31 VAL HA . 25433 1 279 . 1 1 31 31 VAL HB H 1 2.152 0.007 . . . . . A 31 VAL HB . 25433 1 280 . 1 1 31 31 VAL HG11 H 1 1.060 0.007 . . . . . A 31 VAL QG1 . 25433 1 281 . 1 1 31 31 VAL HG12 H 1 1.060 0.007 . . . . . A 31 VAL QG1 . 25433 1 282 . 1 1 31 31 VAL HG13 H 1 1.060 0.007 . . . . . A 31 VAL QG1 . 25433 1 283 . 1 1 31 31 VAL HG21 H 1 1.107 0.007 . . . . . A 31 VAL QG2 . 25433 1 284 . 1 1 31 31 VAL HG22 H 1 1.107 0.007 . . . . . A 31 VAL QG2 . 25433 1 285 . 1 1 31 31 VAL HG23 H 1 1.107 0.007 . . . . . A 31 VAL QG2 . 25433 1 286 . 1 1 31 31 VAL CA C 13 61.591 0.18 . . . . . A 31 VAL CA . 25433 1 287 . 1 1 31 31 VAL CB C 13 32.238 0.18 . . . . . A 31 VAL CB . 25433 1 288 . 1 1 31 31 VAL CG1 C 13 23.635 0.18 . . . . . A 31 VAL CG1 . 25433 1 289 . 1 1 31 31 VAL CG2 C 13 21.464 0.18 . . . . . A 31 VAL CG2 . 25433 1 290 . 1 1 31 31 VAL N N 15 122.592 0.12 . . . . . A 31 VAL N . 25433 1 291 . 1 1 32 32 PRO HA H 1 4.650 0.007 . . . . . A 32 PRO HA . 25433 1 292 . 1 1 32 32 PRO HB2 H 1 2.383 0.007 . . . . . A 32 PRO HB2 . 25433 1 293 . 1 1 32 32 PRO HB3 H 1 1.861 0.007 . . . . . A 32 PRO HB3 . 25433 1 294 . 1 1 32 32 PRO HG2 H 1 2.093 0.007 . . . . . A 32 PRO HG2 . 25433 1 295 . 1 1 32 32 PRO HG3 H 1 1.893 0.007 . . . . . A 32 PRO HG3 . 25433 1 296 . 1 1 32 32 PRO HD2 H 1 3.676 0.007 . . . . . A 32 PRO HD2 . 25433 1 297 . 1 1 32 32 PRO HD3 H 1 4.037 0.007 . . . . . A 32 PRO HD3 . 25433 1 298 . 1 1 32 32 PRO C C 13 176.413 0.18 . . . . . A 32 PRO C . 25433 1 299 . 1 1 32 32 PRO CA C 13 62.772 0.18 . . . . . A 32 PRO CA . 25433 1 300 . 1 1 32 32 PRO CB C 13 32.650 0.18 . . . . . A 32 PRO CB . 25433 1 301 . 1 1 32 32 PRO CG C 13 27.996 0.18 . . . . . A 32 PRO CG . 25433 1 302 . 1 1 32 32 PRO CD C 13 51.630 0.18 . . . . . A 32 PRO CD . 25433 1 303 . 1 1 33 33 LYS H H 1 7.956 0.007 . . . . . A 33 LYS H . 25433 1 304 . 1 1 33 33 LYS HA H 1 3.109 0.007 . . . . . A 33 LYS HA . 25433 1 305 . 1 1 33 33 LYS HB2 H 1 0.595 0.007 . . . . . A 33 LYS HB2 . 25433 1 306 . 1 1 33 33 LYS HB3 H 1 0.921 0.007 . . . . . A 33 LYS HB3 . 25433 1 307 . 1 1 33 33 LYS HG2 H 1 0.492 0.007 . . . . . A 33 LYS HG2 . 25433 1 308 . 1 1 33 33 LYS HG3 H 1 -0.512 0.007 . . . . . A 33 LYS HG3 . 25433 1 309 . 1 1 33 33 LYS HE2 H 1 2.173 0.007 . . . . . A 33 LYS HE2 . 25433 1 310 . 1 1 33 33 LYS HE3 H 1 2.267 0.007 . . . . . A 33 LYS HE3 . 25433 1 311 . 1 1 33 33 LYS C C 13 176.726 0.18 . . . . . A 33 LYS C . 25433 1 312 . 1 1 33 33 LYS CA C 13 58.359 0.18 . . . . . A 33 LYS CA . 25433 1 313 . 1 1 33 33 LYS CB C 13 32.700 0.18 . . . . . A 33 LYS CB . 25433 1 314 . 1 1 33 33 LYS CG C 13 23.627 0.18 . . . . . A 33 LYS CG . 25433 1 315 . 1 1 33 33 LYS CE C 13 41.765 0.18 . . . . . A 33 LYS CE . 25433 1 316 . 1 1 33 33 LYS N N 15 122.957 0.12 . . . . . A 33 LYS N . 25433 1 317 . 1 1 34 34 SER H H 1 8.139 0.007 . . . . . A 34 SER H . 25433 1 318 . 1 1 34 34 SER HA H 1 4.138 0.007 . . . . . A 34 SER HA . 25433 1 319 . 1 1 34 34 SER HB2 H 1 3.790 0.007 . . . . . A 34 SER HB2 . 25433 1 320 . 1 1 34 34 SER HB3 H 1 3.736 0.007 . . . . . A 34 SER HB3 . 25433 1 321 . 1 1 34 34 SER C C 13 175.141 0.18 . . . . . A 34 SER C . 25433 1 322 . 1 1 34 34 SER CA C 13 59.160 0.18 . . . . . A 34 SER CA . 25433 1 323 . 1 1 34 34 SER CB C 13 62.820 0.18 . . . . . A 34 SER CB . 25433 1 324 . 1 1 34 34 SER N N 15 112.323 0.12 . . . . . A 34 SER N . 25433 1 325 . 1 1 35 35 GLU H H 1 7.750 0.007 . . . . . A 35 GLU H . 25433 1 326 . 1 1 35 35 GLU HA H 1 4.251 0.007 . . . . . A 35 GLU HA . 25433 1 327 . 1 1 35 35 GLU HB2 H 1 2.004 0.007 . . . . . A 35 GLU HB2 . 25433 1 328 . 1 1 35 35 GLU HB3 H 1 1.857 0.007 . . . . . A 35 GLU HB3 . 25433 1 329 . 1 1 35 35 GLU HG2 H 1 2.141 0.007 . . . . . A 35 GLU HG2 . 25433 1 330 . 1 1 35 35 GLU HG3 H 1 2.235 0.007 . . . . . A 35 GLU HG3 . 25433 1 331 . 1 1 35 35 GLU C C 13 176.796 0.18 . . . . . A 35 GLU C . 25433 1 332 . 1 1 35 35 GLU CA C 13 56.589 0.18 . . . . . A 35 GLU CA . 25433 1 333 . 1 1 35 35 GLU CB C 13 30.584 0.18 . . . . . A 35 GLU CB . 25433 1 334 . 1 1 35 35 GLU CG C 13 36.401 0.18 . . . . . A 35 GLU CG . 25433 1 335 . 1 1 35 35 GLU N N 15 120.171 0.12 . . . . . A 35 GLU N . 25433 1 336 . 1 1 36 36 ALA H H 1 8.216 0.007 . . . . . A 36 ALA H . 25433 1 337 . 1 1 36 36 ALA HA H 1 4.272 0.007 . . . . . A 36 ALA HA . 25433 1 338 . 1 1 36 36 ALA HB1 H 1 1.543 0.007 . . . . . A 36 ALA QB . 25433 1 339 . 1 1 36 36 ALA HB2 H 1 1.543 0.007 . . . . . A 36 ALA QB . 25433 1 340 . 1 1 36 36 ALA HB3 H 1 1.543 0.007 . . . . . A 36 ALA QB . 25433 1 341 . 1 1 36 36 ALA C C 13 177.942 0.18 . . . . . A 36 ALA C . 25433 1 342 . 1 1 36 36 ALA CA C 13 52.881 0.18 . . . . . A 36 ALA CA . 25433 1 343 . 1 1 36 36 ALA CB C 13 20.587 0.18 . . . . . A 36 ALA CB . 25433 1 344 . 1 1 36 36 ALA N N 15 122.364 0.12 . . . . . A 36 ALA N . 25433 1 345 . 1 1 37 37 GLU H H 1 8.161 0.007 . . . . . A 37 GLU H . 25433 1 346 . 1 1 37 37 GLU HA H 1 4.353 0.007 . . . . . A 37 GLU HA . 25433 1 347 . 1 1 37 37 GLU HB2 H 1 1.872 0.007 . . . . . A 37 GLU QB . 25433 1 348 . 1 1 37 37 GLU HB3 H 1 1.872 0.007 . . . . . A 37 GLU QB . 25433 1 349 . 1 1 37 37 GLU HG2 H 1 2.183 0.007 . . . . . A 37 GLU QG . 25433 1 350 . 1 1 37 37 GLU HG3 H 1 2.183 0.007 . . . . . A 37 GLU QG . 25433 1 351 . 1 1 37 37 GLU C C 13 176.592 0.18 . . . . . A 37 GLU C . 25433 1 352 . 1 1 37 37 GLU CA C 13 56.475 0.18 . . . . . A 37 GLU CA . 25433 1 353 . 1 1 37 37 GLU CB C 13 30.170 0.18 . . . . . A 37 GLU CB . 25433 1 354 . 1 1 37 37 GLU CG C 13 35.996 0.18 . . . . . A 37 GLU CG . 25433 1 355 . 1 1 37 37 GLU N N 15 117.040 0.12 . . . . . A 37 GLU N . 25433 1 356 . 1 1 38 38 GLN H H 1 8.262 0.007 . . . . . A 38 GLN H . 25433 1 357 . 1 1 38 38 GLN HA H 1 4.254 0.007 . . . . . A 38 GLN HA . 25433 1 358 . 1 1 38 38 GLN HB2 H 1 1.928 0.007 . . . . . A 38 GLN HB2 . 25433 1 359 . 1 1 38 38 GLN HB3 H 1 2.048 0.007 . . . . . A 38 GLN HB3 . 25433 1 360 . 1 1 38 38 GLN HG2 H 1 2.078 0.007 . . . . . A 38 GLN HG2 . 25433 1 361 . 1 1 38 38 GLN HG3 H 1 2.057 0.007 . . . . . A 38 GLN HG3 . 25433 1 362 . 1 1 38 38 GLN HE21 H 1 7.278 0.007 . . . . . A 38 GLN HE21 . 25433 1 363 . 1 1 38 38 GLN C C 13 175.615 0.18 . . . . . A 38 GLN C . 25433 1 364 . 1 1 38 38 GLN CA C 13 55.689 0.18 . . . . . A 38 GLN CA . 25433 1 365 . 1 1 38 38 GLN CB C 13 29.560 0.18 . . . . . A 38 GLN CB . 25433 1 366 . 1 1 38 38 GLN CG C 13 33.345 0.18 . . . . . A 38 GLN CG . 25433 1 367 . 1 1 38 38 GLN N N 15 120.895 0.12 . . . . . A 38 GLN N . 25433 1 368 . 1 1 39 39 LYS H H 1 8.416 0.007 . . . . . A 39 LYS H . 25433 1 369 . 1 1 39 39 LYS HA H 1 4.296 0.007 . . . . . A 39 LYS HA . 25433 1 370 . 1 1 39 39 LYS HB2 H 1 1.686 0.007 . . . . . A 39 LYS HB2 . 25433 1 371 . 1 1 39 39 LYS HB3 H 1 1.767 0.007 . . . . . A 39 LYS HB3 . 25433 1 372 . 1 1 39 39 LYS HG3 H 1 1.360 0.007 . . . . . A 39 LYS HG3 . 25433 1 373 . 1 1 39 39 LYS C C 13 176.240 0.18 . . . . . A 39 LYS C . 25433 1 374 . 1 1 39 39 LYS CA C 13 55.795 0.18 . . . . . A 39 LYS CA . 25433 1 375 . 1 1 39 39 LYS CB C 13 32.981 0.18 . . . . . A 39 LYS CB . 25433 1 376 . 1 1 39 39 LYS CG C 13 24.648 0.18 . . . . . A 39 LYS CG . 25433 1 377 . 1 1 39 39 LYS N N 15 122.996 0.12 . . . . . A 39 LYS N . 25433 1 378 . 1 1 40 40 LEU H H 1 8.292 0.007 . . . . . A 40 LEU H . 25433 1 379 . 1 1 40 40 LEU HA H 1 4.575 0.007 . . . . . A 40 LEU HA . 25433 1 380 . 1 1 40 40 LEU HB2 H 1 1.568 0.007 . . . . . A 40 LEU HB2 . 25433 1 381 . 1 1 40 40 LEU HB3 H 1 1.510 0.007 . . . . . A 40 LEU HB3 . 25433 1 382 . 1 1 40 40 LEU HG H 1 1.633 0.007 . . . . . A 40 LEU HG . 25433 1 383 . 1 1 40 40 LEU HD11 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 384 . 1 1 40 40 LEU HD12 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 385 . 1 1 40 40 LEU HD13 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 386 . 1 1 40 40 LEU HD21 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 387 . 1 1 40 40 LEU HD22 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 388 . 1 1 40 40 LEU HD23 H 1 0.864 0.007 . . . . . A 40 LEU QQD . 25433 1 389 . 1 1 40 40 LEU CA C 13 52.786 0.18 . . . . . A 40 LEU CA . 25433 1 390 . 1 1 40 40 LEU CB C 13 41.468 0.18 . . . . . A 40 LEU CB . 25433 1 391 . 1 1 40 40 LEU CG C 13 27.035 0.18 . . . . . A 40 LEU CG . 25433 1 392 . 1 1 40 40 LEU CD1 C 13 23.271 0.18 . . . . . A 40 LEU CD1 . 25433 1 393 . 1 1 40 40 LEU N N 15 123.709 0.12 . . . . . A 40 LEU N . 25433 1 394 . 1 1 41 41 PRO HA H 1 4.348 0.007 . . . . . A 41 PRO HA . 25433 1 395 . 1 1 41 41 PRO HB2 H 1 2.150 0.007 . . . . . A 41 PRO QB . 25433 1 396 . 1 1 41 41 PRO HB3 H 1 2.150 0.007 . . . . . A 41 PRO QB . 25433 1 397 . 1 1 41 41 PRO HG2 H 1 1.955 0.007 . . . . . A 41 PRO HG2 . 25433 1 398 . 1 1 41 41 PRO HD2 H 1 3.609 0.007 . . . . . A 41 PRO HD2 . 25433 1 399 . 1 1 41 41 PRO HD3 H 1 3.746 0.007 . . . . . A 41 PRO HD3 . 25433 1 400 . 1 1 41 41 PRO CA C 13 61.562 0.18 . . . . . A 41 PRO CA . 25433 1 401 . 1 1 41 41 PRO CB C 13 32.340 0.18 . . . . . A 41 PRO CB . 25433 1 402 . 1 1 41 41 PRO CG C 13 27.338 0.18 . . . . . A 41 PRO CG . 25433 1 403 . 1 1 41 41 PRO CD C 13 50.513 0.18 . . . . . A 41 PRO CD . 25433 1 404 . 1 1 43 43 GLY H H 1 7.855 0.007 . . . . . A 43 GLY H . 25433 1 405 . 1 1 43 43 GLY HA3 H 1 3.697 0.007 . . . . . A 43 GLY HA3 . 25433 1 406 . 1 1 43 43 GLY CA C 13 45.954 0.18 . . . . . A 43 GLY CA . 25433 1 407 . 1 1 43 43 GLY N N 15 114.350 0.12 . . . . . A 43 GLY N . 25433 1 stop_ save_