data_26691 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26691 _Entry.Title ; Chemical shift assignment of yeast Bcd1 protein zinc finger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-22 _Entry.Accession_date 2015-10-22 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Benoit Bragantini . . . . 26691 2 Marc Quinternet . . . . 26691 3 Xavier Manival . . . . 26691 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26691 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 26691 '15N chemical shifts' 84 26691 '1H chemical shifts' 583 26691 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 . . 2016-07-08 2015-10-22 update BMRB 'update entry citation' 26691 1 . . 2016-05-23 2015-10-22 original author 'original release' 26691 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26691 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27139642 _Citation.Full_citation . _Citation.Title ; Functional and structural insights into the zinc-finger HIT protein family involved in box C/D snoRNP biogenesis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 428 _Citation.Journal_issue 11 _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 2488 _Citation.Page_last 2506 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Benoit Bragantini . . . . 26691 1 2 Marc Quinternet . . . . 26691 1 3 Xavier Manival . . . . 26691 1 4 Bruno Charpentier . . . . 26691 1 5 Decebal Tiotiu . . . . 26691 1 6 Benjamin Rothe . . . . 26691 1 7 Jean-Michel Saliou . . . . 26691 1 8 Sarah Cianferani . . . . 26691 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Bcd1p 26691 1 Hit1p 26691 1 'box C/D snoRNA' 26691 1 'zinc finger protein' 26691 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26691 _Assembly.ID 1 _Assembly.Name ZnF-Bcd1 _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 ZnF-Bcd1 1 $ZnF-Bcd1 A . yes native no no . . . 26691 1 2 'zinc ion, 1' 2 $entity_ZN A . no native no no . . . 26691 1 3 'zinc ion, 2' 2 $entity_ZN A . no native no no . . . 26691 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 coordination single . 1 . 1 CYS 8 8 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 26691 1 2 coordination single . 1 . 1 CYS 11 11 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 26691 1 3 coordination single . 1 . 1 CYS 28 28 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 26691 1 4 coordination single . 1 . 1 CYS 32 32 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 26691 1 5 coordination single . 1 . 1 CYS 20 20 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 26691 1 6 coordination single . 1 . 1 CYS 23 23 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 26691 1 7 coordination single . 1 . 1 HIS 36 36 HE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 26691 1 8 coordination single . 1 . 1 CYS 42 42 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 26691 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZnF-Bcd1 _Entity.Sf_category entity _Entity.Sf_framecode ZnF-Bcd1 _Entity.Entry_ID 26691 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ZnF-Bcd1 _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 ; GPHMAVLCGVCGIKEFKYKC PRCLVQTCSLECSKKHKTRD NCSGQTHD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent non-native residues from affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 48 _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 5341.2 _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 -2 GLY . 26691 1 2 -1 PRO . 26691 1 3 0 HIS . 26691 1 4 1 MET . 26691 1 5 2 ALA . 26691 1 6 3 VAL . 26691 1 7 4 LEU . 26691 1 8 5 CYS . 26691 1 9 6 GLY . 26691 1 10 7 VAL . 26691 1 11 8 CYS . 26691 1 12 9 GLY . 26691 1 13 10 ILE . 26691 1 14 11 LYS . 26691 1 15 12 GLU . 26691 1 16 13 PHE . 26691 1 17 14 LYS . 26691 1 18 15 TYR . 26691 1 19 16 LYS . 26691 1 20 17 CYS . 26691 1 21 18 PRO . 26691 1 22 19 ARG . 26691 1 23 20 CYS . 26691 1 24 21 LEU . 26691 1 25 22 VAL . 26691 1 26 23 GLN . 26691 1 27 24 THR . 26691 1 28 25 CYS . 26691 1 29 26 SER . 26691 1 30 27 LEU . 26691 1 31 28 GLU . 26691 1 32 29 CYS . 26691 1 33 30 SER . 26691 1 34 31 LYS . 26691 1 35 32 LYS . 26691 1 36 33 HIS . 26691 1 37 34 LYS . 26691 1 38 35 THR . 26691 1 39 36 ARG . 26691 1 40 37 ASP . 26691 1 41 38 ASN . 26691 1 42 39 CYS . 26691 1 43 40 SER . 26691 1 44 41 GLY . 26691 1 45 42 GLN . 26691 1 46 43 THR . 26691 1 47 44 HIS . 26691 1 48 45 ASP . 26691 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 26691 1 . PRO 2 2 26691 1 . HIS 3 3 26691 1 . MET 4 4 26691 1 . ALA 5 5 26691 1 . VAL 6 6 26691 1 . LEU 7 7 26691 1 . CYS 8 8 26691 1 . GLY 9 9 26691 1 . VAL 10 10 26691 1 . CYS 11 11 26691 1 . GLY 12 12 26691 1 . ILE 13 13 26691 1 . LYS 14 14 26691 1 . GLU 15 15 26691 1 . PHE 16 16 26691 1 . LYS 17 17 26691 1 . TYR 18 18 26691 1 . LYS 19 19 26691 1 . CYS 20 20 26691 1 . PRO 21 21 26691 1 . ARG 22 22 26691 1 . CYS 23 23 26691 1 . LEU 24 24 26691 1 . VAL 25 25 26691 1 . GLN 26 26 26691 1 . THR 27 27 26691 1 . CYS 28 28 26691 1 . SER 29 29 26691 1 . LEU 30 30 26691 1 . GLU 31 31 26691 1 . CYS 32 32 26691 1 . SER 33 33 26691 1 . LYS 34 34 26691 1 . LYS 35 35 26691 1 . HIS 36 36 26691 1 . LYS 37 37 26691 1 . THR 38 38 26691 1 . ARG 39 39 26691 1 . ASP 40 40 26691 1 . ASN 41 41 26691 1 . CYS 42 42 26691 1 . SER 43 43 26691 1 . GLY 44 44 26691 1 . GLN 45 45 26691 1 . THR 46 46 26691 1 . HIS 47 47 26691 1 . ASP 48 48 26691 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 26691 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 . _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 26691 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 26691 2 ZN 'Three letter code' 26691 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 26691 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 26691 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ZnF-Bcd1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . BCD1 . 26691 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 26691 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ZnF-Bcd1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pnEA-3cH . . . 26691 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 26691 _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 26691 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 26691 ZN [Zn++] SMILES CACTVS 3.341 26691 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 26691 ZN [Zn+2] SMILES ACDLabs 10.04 26691 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 26691 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26691 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 26691 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26691 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 . 26691 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26691 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 ZnF-Bcd1 '[U-100% 13C; U-100% 15N]' . . 1 $ZnF-Bcd1 . . 0.8 . . mM . . . . 26691 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 26691 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26691 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 26691 1 5 DTT [U-2H] . . . . . . 3 . . mM . . . . 26691 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 26691 _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' 160 . mM 26691 1 pH 6.4 . pH 26691 1 pressure 1 . atm 26691 1 temperature 313 . K 26691 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 26691 _Sample_condition_list.ID 2 _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' 160 . mM 26691 2 pH 6.4 . pH 26691 2 pressure 1 . atm 26691 2 temperature 298 . K 26691 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26691 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26691 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26691 1 'structure solution' 26691 1 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 26691 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26691 _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 . . . 26691 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 26691 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 13 '2D 1H-15N HSQC long range' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26691 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 26691 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26691 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26691 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26691 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 26691 _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 2 '2D 1H-15N HSQC' . . . 26691 1 3 '2D 1H-13C HSQC aliphatic' . . . 26691 1 4 '3D CBCA(CO)NH' . . . 26691 1 5 '3D HNCO' . . . 26691 1 6 '3D HNHA' . . . 26691 1 7 '3D HNCACB' . . . 26691 1 8 '3D HCCH-TOCSY' . . . 26691 1 12 '2D 1H-13C HSQC aromatic' . . . 26691 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 1 1 GLY HA2 H 1 3.972 0.000 . 2 . . . . -2 GLY HA . 26691 1 2 . 1 1 1 1 GLY HA3 H 1 3.972 0.000 . 2 . . . . -2 GLY HA . 26691 1 3 . 1 1 1 1 GLY CA C 13 43.514 0.000 . 1 . . . . -2 GLY CA . 26691 1 4 . 1 1 2 2 PRO HA H 1 4.455 0.002 . 1 . . . . -1 PRO HA . 26691 1 5 . 1 1 2 2 PRO HB2 H 1 2.258 0.003 . 1 . . . . -1 PRO HB2 . 26691 1 6 . 1 1 2 2 PRO HB3 H 1 1.84 0.005 . 1 . . . . -1 PRO HB3 . 26691 1 7 . 1 1 2 2 PRO HG2 H 1 1.994 0.003 . 1 . . . . -1 PRO HG2 . 26691 1 8 . 1 1 2 2 PRO HG3 H 1 1.921 0.003 . 1 . . . . -1 PRO HG3 . 26691 1 9 . 1 1 2 2 PRO HD2 H 1 3.558 0.002 . 2 . . . . -1 PRO HD . 26691 1 10 . 1 1 2 2 PRO HD3 H 1 3.558 0.002 . 2 . . . . -1 PRO HD . 26691 1 11 . 1 1 2 2 PRO CA C 13 63.062 0.024 . 1 . . . . -1 PRO CA . 26691 1 12 . 1 1 2 2 PRO CB C 13 32.19 0.104 . 1 . . . . -1 PRO CB . 26691 1 13 . 1 1 2 2 PRO CG C 13 26.959 0.087 . 1 . . . . -1 PRO CG . 26691 1 14 . 1 1 2 2 PRO CD C 13 49.744 0.043 . 1 . . . . -1 PRO CD . 26691 1 15 . 1 1 3 3 HIS HA H 1 4.421 0.003 . 1 . . . . 0 HIS HA . 26691 1 16 . 1 1 3 3 HIS HB2 H 1 2.696 0.003 . 1 . . . . 0 HIS HB2 . 26691 1 17 . 1 1 3 3 HIS HB3 H 1 2.56 0.005 . 1 . . . . 0 HIS HB3 . 26691 1 18 . 1 1 3 3 HIS CA C 13 56.01 0.000 . 1 . . . . 0 HIS CA . 26691 1 19 . 1 1 3 3 HIS CB C 13 42.175 0.019 . 1 . . . . 0 HIS CB . 26691 1 20 . 1 1 4 4 MET HA H 1 4.362 0.002 . 1 . . . . 1 MET HA . 26691 1 21 . 1 1 4 4 MET HB2 H 1 2.024 0.007 . 1 . . . . 1 MET HB2 . 26691 1 22 . 1 1 4 4 MET HB3 H 1 1.951 0.007 . 1 . . . . 1 MET HB3 . 26691 1 23 . 1 1 4 4 MET HG2 H 1 2.541 0.007 . 1 . . . . 1 MET HG2 . 26691 1 24 . 1 1 4 4 MET HG3 H 1 2.48 0.006 . 1 . . . . 1 MET HG3 . 26691 1 25 . 1 1 4 4 MET HE1 H 1 2.083 0.002 . 1 . . . . 1 MET HE . 26691 1 26 . 1 1 4 4 MET HE2 H 1 2.083 0.002 . 1 . . . . 1 MET HE . 26691 1 27 . 1 1 4 4 MET HE3 H 1 2.083 0.002 . 1 . . . . 1 MET HE . 26691 1 28 . 1 1 4 4 MET CA C 13 55.761 0.037 . 1 . . . . 1 MET CA . 26691 1 29 . 1 1 4 4 MET CB C 13 33.104 0.011 . 1 . . . . 1 MET CB . 26691 1 30 . 1 1 4 4 MET CG C 13 31.976 0.057 . 1 . . . . 1 MET CG . 26691 1 31 . 1 1 4 4 MET CE C 13 16.964 0.010 . 1 . . . . 1 MET CE . 26691 1 32 . 1 1 5 5 ALA H H 1 8.359 0.001 . 1 . . . . 2 ALA H . 26691 1 33 . 1 1 5 5 ALA HA H 1 4.329 0.004 . 1 . . . . 2 ALA HA . 26691 1 34 . 1 1 5 5 ALA HB1 H 1 1.365 0.003 . 1 . . . . 2 ALA HB . 26691 1 35 . 1 1 5 5 ALA HB2 H 1 1.365 0.003 . 1 . . . . 2 ALA HB . 26691 1 36 . 1 1 5 5 ALA HB3 H 1 1.365 0.003 . 1 . . . . 2 ALA HB . 26691 1 37 . 1 1 5 5 ALA CA C 13 52.775 0.052 . 1 . . . . 2 ALA CA . 26691 1 38 . 1 1 5 5 ALA CB C 13 19.432 0.023 . 1 . . . . 2 ALA CB . 26691 1 39 . 1 1 5 5 ALA N N 15 124.722 0.000 . 1 . . . . 2 ALA N . 26691 1 40 . 1 1 6 6 VAL H H 1 8.061 0.006 . 1 . . . . 3 VAL H . 26691 1 41 . 1 1 6 6 VAL HA H 1 4.225 0.006 . 1 . . . . 3 VAL HA . 26691 1 42 . 1 1 6 6 VAL HB H 1 2.264 0.004 . 1 . . . . 3 VAL HB . 26691 1 43 . 1 1 6 6 VAL HG11 H 1 0.925 0.002 . 2 . . . . 3 VAL HG1 . 26691 1 44 . 1 1 6 6 VAL HG12 H 1 0.925 0.002 . 2 . . . . 3 VAL HG1 . 26691 1 45 . 1 1 6 6 VAL HG13 H 1 0.925 0.002 . 2 . . . . 3 VAL HG1 . 26691 1 46 . 1 1 6 6 VAL HG21 H 1 0.853 0.005 . 2 . . . . 3 VAL HG2 . 26691 1 47 . 1 1 6 6 VAL HG22 H 1 0.853 0.005 . 2 . . . . 3 VAL HG2 . 26691 1 48 . 1 1 6 6 VAL HG23 H 1 0.853 0.005 . 2 . . . . 3 VAL HG2 . 26691 1 49 . 1 1 6 6 VAL C C 13 177.531 0.000 . 1 . . . . 3 VAL C . 26691 1 50 . 1 1 6 6 VAL CA C 13 62.086 0.084 . 1 . . . . 3 VAL CA . 26691 1 51 . 1 1 6 6 VAL CB C 13 32.177 0.068 . 1 . . . . 3 VAL CB . 26691 1 52 . 1 1 6 6 VAL CG1 C 13 20.351 0.092 . 1 . . . . 3 VAL CG1 . 26691 1 53 . 1 1 6 6 VAL CG2 C 13 21.552 0.058 . 1 . . . . 3 VAL CG2 . 26691 1 54 . 1 1 6 6 VAL N N 15 117.243 0.027 . 1 . . . . 3 VAL N . 26691 1 55 . 1 1 7 7 LEU H H 1 7.82 0.009 . 1 . . . . 4 LEU H . 26691 1 56 . 1 1 7 7 LEU HA H 1 4.42 0.004 . 1 . . . . 4 LEU HA . 26691 1 57 . 1 1 7 7 LEU HB2 H 1 1.68 0.002 . 1 . . . . 4 LEU HB2 . 26691 1 58 . 1 1 7 7 LEU HB3 H 1 1.051 0.008 . 1 . . . . 4 LEU HB3 . 26691 1 59 . 1 1 7 7 LEU HG H 1 1.592 0.006 . 1 . . . . 4 LEU HG . 26691 1 60 . 1 1 7 7 LEU HD11 H 1 0.815 0.005 . 2 . . . . 4 LEU HD1 . 26691 1 61 . 1 1 7 7 LEU HD12 H 1 0.815 0.005 . 2 . . . . 4 LEU HD1 . 26691 1 62 . 1 1 7 7 LEU HD13 H 1 0.815 0.005 . 2 . . . . 4 LEU HD1 . 26691 1 63 . 1 1 7 7 LEU HD21 H 1 0.544 0.004 . 2 . . . . 4 LEU HD2 . 26691 1 64 . 1 1 7 7 LEU HD22 H 1 0.544 0.004 . 2 . . . . 4 LEU HD2 . 26691 1 65 . 1 1 7 7 LEU HD23 H 1 0.544 0.004 . 2 . . . . 4 LEU HD2 . 26691 1 66 . 1 1 7 7 LEU C C 13 175.402 0.000 . 1 . . . . 4 LEU C . 26691 1 67 . 1 1 7 7 LEU CA C 13 54.331 0.057 . 1 . . . . 4 LEU CA . 26691 1 68 . 1 1 7 7 LEU CB C 13 43.477 0.043 . 1 . . . . 4 LEU CB . 26691 1 69 . 1 1 7 7 LEU CG C 13 26.807 0.076 . 1 . . . . 4 LEU CG . 26691 1 70 . 1 1 7 7 LEU CD1 C 13 25.17 0.081 . 1 . . . . 4 LEU CD1 . 26691 1 71 . 1 1 7 7 LEU CD2 C 13 22.316 0.064 . 1 . . . . 4 LEU CD2 . 26691 1 72 . 1 1 7 7 LEU N N 15 123.475 0.034 . 1 . . . . 4 LEU N . 26691 1 73 . 1 1 8 8 CYS H H 1 8.681 0.006 . 1 . . . . 5 CYS H . 26691 1 74 . 1 1 8 8 CYS HA H 1 3.986 0.010 . 1 . . . . 5 CYS HA . 26691 1 75 . 1 1 8 8 CYS HB2 H 1 3.474 0.004 . 1 . . . . 5 CYS HB2 . 26691 1 76 . 1 1 8 8 CYS HB3 H 1 2.941 0.004 . 1 . . . . 5 CYS HB3 . 26691 1 77 . 1 1 8 8 CYS C C 13 176.369 0.000 . 1 . . . . 5 CYS C . 26691 1 78 . 1 1 8 8 CYS CA C 13 60.16 0.126 . 1 . . . . 5 CYS CA . 26691 1 79 . 1 1 8 8 CYS CB C 13 32.053 0.030 . 1 . . . . 5 CYS CB . 26691 1 80 . 1 1 8 8 CYS N N 15 121.211 0.021 . 1 . . . . 5 CYS N . 26691 1 81 . 1 1 9 9 GLY H H 1 9.517 0.007 . 1 . . . . 6 GLY H . 26691 1 82 . 1 1 9 9 GLY HA2 H 1 4.21 0.004 . 1 . . . . 6 GLY HA2 . 26691 1 83 . 1 1 9 9 GLY HA3 H 1 3.842 0.003 . 1 . . . . 6 GLY HA3 . 26691 1 84 . 1 1 9 9 GLY C C 13 177.243 0.000 . 1 . . . . 6 GLY C . 26691 1 85 . 1 1 9 9 GLY CA C 13 46.488 0.009 . 1 . . . . 6 GLY CA . 26691 1 86 . 1 1 9 9 GLY N N 15 117.703 0.023 . 1 . . . . 6 GLY N . 26691 1 87 . 1 1 10 10 VAL H H 1 9.173 0.004 . 1 . . . . 7 VAL H . 26691 1 88 . 1 1 10 10 VAL HA H 1 4.173 0.004 . 1 . . . . 7 VAL HA . 26691 1 89 . 1 1 10 10 VAL HB H 1 2.273 0.005 . 1 . . . . 7 VAL HB . 26691 1 90 . 1 1 10 10 VAL HG11 H 1 1.029 0.005 . 2 . . . . 7 VAL HG1 . 26691 1 91 . 1 1 10 10 VAL HG12 H 1 1.029 0.005 . 2 . . . . 7 VAL HG1 . 26691 1 92 . 1 1 10 10 VAL HG13 H 1 1.029 0.005 . 2 . . . . 7 VAL HG1 . 26691 1 93 . 1 1 10 10 VAL HG21 H 1 0.955 0.002 . 2 . . . . 7 VAL HG2 . 26691 1 94 . 1 1 10 10 VAL HG22 H 1 0.955 0.002 . 2 . . . . 7 VAL HG2 . 26691 1 95 . 1 1 10 10 VAL HG23 H 1 0.955 0.002 . 2 . . . . 7 VAL HG2 . 26691 1 96 . 1 1 10 10 VAL C C 13 173.473 0.000 . 1 . . . . 7 VAL C . 26691 1 97 . 1 1 10 10 VAL CA C 13 64.787 0.075 . 1 . . . . 7 VAL CA . 26691 1 98 . 1 1 10 10 VAL CB C 13 32.701 0.062 . 1 . . . . 7 VAL CB . 26691 1 99 . 1 1 10 10 VAL CG1 C 13 21.612 0.056 . 1 . . . . 7 VAL CG1 . 26691 1 100 . 1 1 10 10 VAL CG2 C 13 21.539 0.045 . 1 . . . . 7 VAL CG2 . 26691 1 101 . 1 1 10 10 VAL N N 15 122.967 0.014 . 1 . . . . 7 VAL N . 26691 1 102 . 1 1 11 11 CYS H H 1 8.515 0.003 . 1 . . . . 8 CYS H . 26691 1 103 . 1 1 11 11 CYS HA H 1 4.811 0.003 . 1 . . . . 8 CYS HA . 26691 1 104 . 1 1 11 11 CYS HB2 H 1 3.129 0.005 . 1 . . . . 8 CYS HB2 . 26691 1 105 . 1 1 11 11 CYS HB3 H 1 2.977 0.006 . 1 . . . . 8 CYS HB3 . 26691 1 106 . 1 1 11 11 CYS C C 13 176.335 0.000 . 1 . . . . 8 CYS C . 26691 1 107 . 1 1 11 11 CYS CA C 13 59.518 0.076 . 1 . . . . 8 CYS CA . 26691 1 108 . 1 1 11 11 CYS CB C 13 32.011 0.032 . 1 . . . . 8 CYS CB . 26691 1 109 . 1 1 11 11 CYS N N 15 118.853 0.019 . 1 . . . . 8 CYS N . 26691 1 110 . 1 1 12 12 GLY H H 1 7.39 0.004 . 1 . . . . 9 GLY H . 26691 1 111 . 1 1 12 12 GLY HA2 H 1 4.096 0.003 . 2 . . . . 9 GLY HA . 26691 1 112 . 1 1 12 12 GLY HA3 H 1 4.096 0.003 . 2 . . . . 9 GLY HA . 26691 1 113 . 1 1 12 12 GLY C C 13 177.026 0.000 . 1 . . . . 9 GLY C . 26691 1 114 . 1 1 12 12 GLY CA C 13 46.906 0.060 . 1 . . . . 9 GLY CA . 26691 1 115 . 1 1 12 12 GLY N N 15 110.571 0.013 . 1 . . . . 9 GLY N . 26691 1 116 . 1 1 13 13 ILE H H 1 8.094 0.003 . 1 . . . . 10 ILE H . 26691 1 117 . 1 1 13 13 ILE HA H 1 4.533 0.006 . 1 . . . . 10 ILE HA . 26691 1 118 . 1 1 13 13 ILE HB H 1 2.097 0.006 . 1 . . . . 10 ILE HB . 26691 1 119 . 1 1 13 13 ILE HG12 H 1 1.522 0.005 . 1 . . . . 10 ILE HG12 . 26691 1 120 . 1 1 13 13 ILE HG13 H 1 1.167 0.005 . 1 . . . . 10 ILE HG13 . 26691 1 121 . 1 1 13 13 ILE HG21 H 1 0.962 0.006 . 1 . . . . 10 ILE HG2 . 26691 1 122 . 1 1 13 13 ILE HG22 H 1 0.962 0.006 . 1 . . . . 10 ILE HG2 . 26691 1 123 . 1 1 13 13 ILE HG23 H 1 0.962 0.006 . 1 . . . . 10 ILE HG2 . 26691 1 124 . 1 1 13 13 ILE HD11 H 1 0.897 0.004 . 1 . . . . 10 ILE HD1 . 26691 1 125 . 1 1 13 13 ILE HD12 H 1 0.897 0.004 . 1 . . . . 10 ILE HD1 . 26691 1 126 . 1 1 13 13 ILE HD13 H 1 0.897 0.004 . 1 . . . . 10 ILE HD1 . 26691 1 127 . 1 1 13 13 ILE C C 13 173.968 0.000 . 1 . . . . 10 ILE C . 26691 1 128 . 1 1 13 13 ILE CA C 13 62.354 0.062 . 1 . . . . 10 ILE CA . 26691 1 129 . 1 1 13 13 ILE CB C 13 40.93 0.038 . 1 . . . . 10 ILE CB . 26691 1 130 . 1 1 13 13 ILE CG1 C 13 27.205 0.047 . 1 . . . . 10 ILE CG1 . 26691 1 131 . 1 1 13 13 ILE CG2 C 13 17.696 0.098 . 1 . . . . 10 ILE CG2 . 26691 1 132 . 1 1 13 13 ILE CD1 C 13 13.389 0.036 . 1 . . . . 10 ILE CD1 . 26691 1 133 . 1 1 13 13 ILE N N 15 115.63 0.036 . 1 . . . . 10 ILE N . 26691 1 134 . 1 1 14 14 LYS HA H 1 4.635 0.000 . 1 . . . . 11 LYS HA . 26691 1 135 . 1 1 14 14 LYS HB2 H 1 1.855 0.003 . 2 . . . . 11 LYS HB . 26691 1 136 . 1 1 14 14 LYS HB3 H 1 1.855 0.003 . 2 . . . . 11 LYS HB . 26691 1 137 . 1 1 14 14 LYS HG2 H 1 1.569 0.008 . 1 . . . . 11 LYS HG2 . 26691 1 138 . 1 1 14 14 LYS HG3 H 1 1.495 0.005 . 1 . . . . 11 LYS HG3 . 26691 1 139 . 1 1 14 14 LYS HD2 H 1 1.922 0.005 . 2 . . . . 11 LYS HD . 26691 1 140 . 1 1 14 14 LYS HD3 H 1 1.922 0.005 . 2 . . . . 11 LYS HD . 26691 1 141 . 1 1 14 14 LYS HE2 H 1 3.083 0.004 . 2 . . . . 11 LYS HE . 26691 1 142 . 1 1 14 14 LYS HE3 H 1 3.083 0.004 . 2 . . . . 11 LYS HE . 26691 1 143 . 1 1 14 14 LYS CA C 13 54.727 0.088 . 1 . . . . 11 LYS CA . 26691 1 144 . 1 1 14 14 LYS CB C 13 28.997 0.044 . 1 . . . . 11 LYS CB . 26691 1 145 . 1 1 14 14 LYS CG C 13 25.574 0.037 . 1 . . . . 11 LYS CG . 26691 1 146 . 1 1 14 14 LYS CD C 13 35.734 0.034 . 1 . . . . 11 LYS CD . 26691 1 147 . 1 1 14 14 LYS CE C 13 42.445 0.046 . 1 . . . . 11 LYS CE . 26691 1 148 . 1 1 15 15 GLU H H 1 8.729 0.013 . 1 . . . . 12 GLU H . 26691 1 149 . 1 1 15 15 GLU HA H 1 4.316 0.004 . 1 . . . . 12 GLU HA . 26691 1 150 . 1 1 15 15 GLU HB2 H 1 1.901 0.007 . 2 . . . . 12 GLU HB . 26691 1 151 . 1 1 15 15 GLU HB3 H 1 1.901 0.007 . 2 . . . . 12 GLU HB . 26691 1 152 . 1 1 15 15 GLU HG2 H 1 2.258 0.005 . 2 . . . . 12 GLU HG . 26691 1 153 . 1 1 15 15 GLU HG3 H 1 2.258 0.005 . 2 . . . . 12 GLU HG . 26691 1 154 . 1 1 15 15 GLU C C 13 175.309 0.000 . 1 . . . . 12 GLU C . 26691 1 155 . 1 1 15 15 GLU CA C 13 57.059 0.062 . 1 . . . . 12 GLU CA . 26691 1 156 . 1 1 15 15 GLU CB C 13 30.517 0.013 . 1 . . . . 12 GLU CB . 26691 1 157 . 1 1 15 15 GLU CG C 13 36.723 0.029 . 1 . . . . 12 GLU CG . 26691 1 158 . 1 1 15 15 GLU N N 15 122.371 0.020 . 1 . . . . 12 GLU N . 26691 1 159 . 1 1 16 16 PHE H H 1 8.407 0.005 . 1 . . . . 13 PHE H . 26691 1 160 . 1 1 16 16 PHE HA H 1 3.964 0.008 . 1 . . . . 13 PHE HA . 26691 1 161 . 1 1 16 16 PHE HB2 H 1 3.021 0.005 . 1 . . . . 13 PHE HB2 . 26691 1 162 . 1 1 16 16 PHE HB3 H 1 2.573 0.013 . 1 . . . . 13 PHE HB3 . 26691 1 163 . 1 1 16 16 PHE HD1 H 1 7.182 0.003 . 3 . . . . 13 PHE QD . 26691 1 164 . 1 1 16 16 PHE HD2 H 1 7.182 0.003 . 3 . . . . 13 PHE QD . 26691 1 165 . 1 1 16 16 PHE HE1 H 1 7.18 0.007 . 3 . . . . 13 PHE QE . 26691 1 166 . 1 1 16 16 PHE HE2 H 1 7.18 0.007 . 3 . . . . 13 PHE QE . 26691 1 167 . 1 1 16 16 PHE C C 13 176.102 0.000 . 1 . . . . 13 PHE C . 26691 1 168 . 1 1 16 16 PHE CA C 13 57.624 0.076 . 1 . . . . 13 PHE CA . 26691 1 169 . 1 1 16 16 PHE CB C 13 39.665 0.041 . 1 . . . . 13 PHE CB . 26691 1 170 . 1 1 16 16 PHE CD1 C 13 132.823 0.000 . 1 . . . . 13 PHE CD1 . 26691 1 171 . 1 1 16 16 PHE CE1 C 13 130.901 0.000 . 1 . . . . 13 PHE CE1 . 26691 1 172 . 1 1 16 16 PHE N N 15 120.479 0.024 . 1 . . . . 13 PHE N . 26691 1 173 . 1 1 17 17 LYS H H 1 8.636 0.007 . 1 . . . . 14 LYS H . 26691 1 174 . 1 1 17 17 LYS HA H 1 3.918 0.006 . 1 . . . . 14 LYS HA . 26691 1 175 . 1 1 17 17 LYS HB2 H 1 1.113 0.006 . 2 . . . . 14 LYS HB . 26691 1 176 . 1 1 17 17 LYS HB3 H 1 1.113 0.006 . 2 . . . . 14 LYS HB . 26691 1 177 . 1 1 17 17 LYS HG2 H 1 1.009 0.004 . 1 . . . . 14 LYS HG2 . 26691 1 178 . 1 1 17 17 LYS HG3 H 1 0.863 0.004 . 1 . . . . 14 LYS HG3 . 26691 1 179 . 1 1 17 17 LYS HD2 H 1 1.473 0.002 . 2 . . . . 14 LYS HD . 26691 1 180 . 1 1 17 17 LYS HD3 H 1 1.473 0.002 . 2 . . . . 14 LYS HD . 26691 1 181 . 1 1 17 17 LYS HE2 H 1 2.87 0.006 . 2 . . . . 14 LYS HE . 26691 1 182 . 1 1 17 17 LYS HE3 H 1 2.87 0.006 . 2 . . . . 14 LYS HE . 26691 1 183 . 1 1 17 17 LYS C C 13 172.532 0.000 . 1 . . . . 14 LYS C . 26691 1 184 . 1 1 17 17 LYS CA C 13 56.717 0.057 . 1 . . . . 14 LYS CA . 26691 1 185 . 1 1 17 17 LYS CB C 13 36.794 0.045 . 1 . . . . 14 LYS CB . 26691 1 186 . 1 1 17 17 LYS CG C 13 24.452 0.048 . 1 . . . . 14 LYS CG . 26691 1 187 . 1 1 17 17 LYS CD C 13 28.9 0.027 . 1 . . . . 14 LYS CD . 26691 1 188 . 1 1 17 17 LYS CE C 13 42.206 0.017 . 1 . . . . 14 LYS CE . 26691 1 189 . 1 1 17 17 LYS N N 15 119.32 0.025 . 1 . . . . 14 LYS N . 26691 1 190 . 1 1 18 18 TYR H H 1 8.483 0.003 . 1 . . . . 15 TYR H . 26691 1 191 . 1 1 18 18 TYR HA H 1 4.962 0.005 . 1 . . . . 15 TYR HA . 26691 1 192 . 1 1 18 18 TYR HB2 H 1 3.05 0.005 . 1 . . . . 15 TYR HB2 . 26691 1 193 . 1 1 18 18 TYR HB3 H 1 2.873 0.005 . 1 . . . . 15 TYR HB3 . 26691 1 194 . 1 1 18 18 TYR HD1 H 1 6.97 0.006 . 3 . . . . 15 TYR QD . 26691 1 195 . 1 1 18 18 TYR HD2 H 1 6.97 0.006 . 3 . . . . 15 TYR QD . 26691 1 196 . 1 1 18 18 TYR HE1 H 1 6.684 0.005 . 3 . . . . 15 TYR QE . 26691 1 197 . 1 1 18 18 TYR HE2 H 1 6.684 0.005 . 3 . . . . 15 TYR QE . 26691 1 198 . 1 1 18 18 TYR C C 13 174.48 0.000 . 1 . . . . 15 TYR C . 26691 1 199 . 1 1 18 18 TYR CA C 13 56.477 0.043 . 1 . . . . 15 TYR CA . 26691 1 200 . 1 1 18 18 TYR CB C 13 41.109 0.036 . 1 . . . . 15 TYR CB . 26691 1 201 . 1 1 18 18 TYR CD1 C 13 133.512 0.031 . 1 . . . . 15 TYR CD1 . 26691 1 202 . 1 1 18 18 TYR CE1 C 13 117.655 0.053 . 1 . . . . 15 TYR CE1 . 26691 1 203 . 1 1 18 18 TYR N N 15 119.016 0.020 . 1 . . . . 15 TYR N . 26691 1 204 . 1 1 19 19 LYS H H 1 8.561 0.003 . 1 . . . . 16 LYS H . 26691 1 205 . 1 1 19 19 LYS HA H 1 4.86 0.003 . 1 . . . . 16 LYS HA . 26691 1 206 . 1 1 19 19 LYS HB2 H 1 1.562 0.010 . 2 . . . . 16 LYS HB . 26691 1 207 . 1 1 19 19 LYS HB3 H 1 1.562 0.010 . 2 . . . . 16 LYS HB . 26691 1 208 . 1 1 19 19 LYS HG2 H 1 1.263 0.006 . 1 . . . . 16 LYS HG2 . 26691 1 209 . 1 1 19 19 LYS HG3 H 1 1.131 0.006 . 1 . . . . 16 LYS HG3 . 26691 1 210 . 1 1 19 19 LYS HD2 H 1 1.591 0.003 . 2 . . . . 16 LYS HD . 26691 1 211 . 1 1 19 19 LYS HD3 H 1 1.591 0.003 . 2 . . . . 16 LYS HD . 26691 1 212 . 1 1 19 19 LYS HE2 H 1 2.847 0.015 . 2 . . . . 16 LYS HE . 26691 1 213 . 1 1 19 19 LYS HE3 H 1 2.847 0.015 . 2 . . . . 16 LYS HE . 26691 1 214 . 1 1 19 19 LYS C C 13 174.626 0.000 . 1 . . . . 16 LYS C . 26691 1 215 . 1 1 19 19 LYS CA C 13 54.979 0.043 . 1 . . . . 16 LYS CA . 26691 1 216 . 1 1 19 19 LYS CB C 13 35.614 0.031 . 1 . . . . 16 LYS CB . 26691 1 217 . 1 1 19 19 LYS CG C 13 24.969 0.054 . 1 . . . . 16 LYS CG . 26691 1 218 . 1 1 19 19 LYS CD C 13 29.624 0.053 . 1 . . . . 16 LYS CD . 26691 1 219 . 1 1 19 19 LYS CE C 13 42.12 0.077 . 1 . . . . 16 LYS CE . 26691 1 220 . 1 1 19 19 LYS N N 15 120.639 0.013 . 1 . . . . 16 LYS N . 26691 1 221 . 1 1 20 20 CYS H H 1 8.61 0.003 . 1 . . . . 17 CYS H . 26691 1 222 . 1 1 20 20 CYS HA H 1 4.614 0.011 . 1 . . . . 17 CYS HA . 26691 1 223 . 1 1 20 20 CYS HB2 H 1 3.116 0.013 . 2 . . . . 17 CYS HB . 26691 1 224 . 1 1 20 20 CYS HB3 H 1 3.116 0.013 . 2 . . . . 17 CYS HB . 26691 1 225 . 1 1 20 20 CYS C C 13 175.6 0.000 . 1 . . . . 17 CYS C . 26691 1 226 . 1 1 20 20 CYS CA C 13 56.578 0.261 . 1 . . . . 17 CYS CA . 26691 1 227 . 1 1 20 20 CYS CB C 13 30.532 0.021 . 1 . . . . 17 CYS CB . 26691 1 228 . 1 1 20 20 CYS N N 15 129.851 0.020 . 1 . . . . 17 CYS N . 26691 1 229 . 1 1 21 21 PRO HA H 1 4.365 0.004 . 1 . . . . 18 PRO HA . 26691 1 230 . 1 1 21 21 PRO HB2 H 1 2.376 0.003 . 1 . . . . 18 PRO HB2 . 26691 1 231 . 1 1 21 21 PRO HB3 H 1 1.907 0.006 . 1 . . . . 18 PRO HB3 . 26691 1 232 . 1 1 21 21 PRO HG2 H 1 2.123 0.004 . 1 . . . . 18 PRO HG2 . 26691 1 233 . 1 1 21 21 PRO HG3 H 1 2.013 0.003 . 1 . . . . 18 PRO HG3 . 26691 1 234 . 1 1 21 21 PRO HD2 H 1 4.092 0.003 . 2 . . . . 18 PRO HD . 26691 1 235 . 1 1 21 21 PRO HD3 H 1 4.092 0.003 . 2 . . . . 18 PRO HD . 26691 1 236 . 1 1 21 21 PRO CA C 13 64.307 0.070 . 1 . . . . 18 PRO CA . 26691 1 237 . 1 1 21 21 PRO CB C 13 32.521 0.050 . 1 . . . . 18 PRO CB . 26691 1 238 . 1 1 21 21 PRO CG C 13 27.458 0.040 . 1 . . . . 18 PRO CG . 26691 1 239 . 1 1 21 21 PRO CD C 13 51.358 0.038 . 1 . . . . 18 PRO CD . 26691 1 240 . 1 1 22 22 ARG H H 1 8.517 0.004 . 1 . . . . 19 ARG H . 26691 1 241 . 1 1 22 22 ARG HA H 1 4.286 0.005 . 1 . . . . 19 ARG HA . 26691 1 242 . 1 1 22 22 ARG HB2 H 1 1.677 0.004 . 1 . . . . 19 ARG HB2 . 26691 1 243 . 1 1 22 22 ARG HB3 H 1 1.579 0.004 . 1 . . . . 19 ARG HB3 . 26691 1 244 . 1 1 22 22 ARG HG2 H 1 1.56 0.005 . 2 . . . . 19 ARG HG . 26691 1 245 . 1 1 22 22 ARG HG3 H 1 1.56 0.005 . 2 . . . . 19 ARG HG . 26691 1 246 . 1 1 22 22 ARG HD2 H 1 3.469 0.005 . 1 . . . . 19 ARG HD2 . 26691 1 247 . 1 1 22 22 ARG HD3 H 1 3.326 0.004 . 1 . . . . 19 ARG HD3 . 26691 1 248 . 1 1 22 22 ARG C C 13 176.802 0.000 . 1 . . . . 19 ARG C . 26691 1 249 . 1 1 22 22 ARG CA C 13 57.648 0.058 . 1 . . . . 19 ARG CA . 26691 1 250 . 1 1 22 22 ARG CB C 13 31.745 0.061 . 1 . . . . 19 ARG CB . 26691 1 251 . 1 1 22 22 ARG CG C 13 27.944 0.058 . 1 . . . . 19 ARG CG . 26691 1 252 . 1 1 22 22 ARG CD C 13 43.075 0.021 . 1 . . . . 19 ARG CD . 26691 1 253 . 1 1 22 22 ARG N N 15 118.939 0.017 . 1 . . . . 19 ARG N . 26691 1 254 . 1 1 23 23 CYS H H 1 7.821 0.005 . 1 . . . . 20 CYS H . 26691 1 255 . 1 1 23 23 CYS HA H 1 4.973 0.003 . 1 . . . . 20 CYS HA . 26691 1 256 . 1 1 23 23 CYS HB2 H 1 3.296 0.005 . 1 . . . . 20 CYS HB2 . 26691 1 257 . 1 1 23 23 CYS HB3 H 1 2.802 0.004 . 1 . . . . 20 CYS HB3 . 26691 1 258 . 1 1 23 23 CYS C C 13 176.205 0.000 . 1 . . . . 20 CYS C . 26691 1 259 . 1 1 23 23 CYS CA C 13 58.642 0.053 . 1 . . . . 20 CYS CA . 26691 1 260 . 1 1 23 23 CYS CB C 13 32.047 0.014 . 1 . . . . 20 CYS CB . 26691 1 261 . 1 1 23 23 CYS N N 15 117.499 0.023 . 1 . . . . 20 CYS N . 26691 1 262 . 1 1 24 24 LEU H H 1 7.899 0.004 . 1 . . . . 21 LEU H . 26691 1 263 . 1 1 24 24 LEU HA H 1 4.107 0.003 . 1 . . . . 21 LEU HA . 26691 1 264 . 1 1 24 24 LEU HB2 H 1 2.116 0.003 . 1 . . . . 21 LEU HB2 . 26691 1 265 . 1 1 24 24 LEU HB3 H 1 1.58 0.005 . 1 . . . . 21 LEU HB3 . 26691 1 266 . 1 1 24 24 LEU HG H 1 1.411 0.004 . 1 . . . . 21 LEU HG . 26691 1 267 . 1 1 24 24 LEU HD11 H 1 0.852 0.005 . 2 . . . . 21 LEU HD1 . 26691 1 268 . 1 1 24 24 LEU HD12 H 1 0.852 0.005 . 2 . . . . 21 LEU HD1 . 26691 1 269 . 1 1 24 24 LEU HD13 H 1 0.852 0.005 . 2 . . . . 21 LEU HD1 . 26691 1 270 . 1 1 24 24 LEU HD21 H 1 0.797 0.005 . 2 . . . . 21 LEU HD2 . 26691 1 271 . 1 1 24 24 LEU HD22 H 1 0.797 0.005 . 2 . . . . 21 LEU HD2 . 26691 1 272 . 1 1 24 24 LEU HD23 H 1 0.797 0.005 . 2 . . . . 21 LEU HD2 . 26691 1 273 . 1 1 24 24 LEU C C 13 175.579 0.000 . 1 . . . . 21 LEU C . 26691 1 274 . 1 1 24 24 LEU CA C 13 57.136 0.031 . 1 . . . . 21 LEU CA . 26691 1 275 . 1 1 24 24 LEU CB C 13 38.886 0.019 . 1 . . . . 21 LEU CB . 26691 1 276 . 1 1 24 24 LEU CG C 13 27.57 0.089 . 1 . . . . 21 LEU CG . 26691 1 277 . 1 1 24 24 LEU CD1 C 13 25.067 0.089 . 1 . . . . 21 LEU CD1 . 26691 1 278 . 1 1 24 24 LEU CD2 C 13 22.768 0.070 . 1 . . . . 21 LEU CD2 . 26691 1 279 . 1 1 24 24 LEU N N 15 117.65 0.017 . 1 . . . . 21 LEU N . 26691 1 280 . 1 1 25 25 VAL H H 1 8.285 0.002 . 1 . . . . 22 VAL H . 26691 1 281 . 1 1 25 25 VAL HA H 1 3.73 0.003 . 1 . . . . 22 VAL HA . 26691 1 282 . 1 1 25 25 VAL HB H 1 1.45 0.006 . 1 . . . . 22 VAL HB . 26691 1 283 . 1 1 25 25 VAL HG11 H 1 0.999 0.008 . 2 . . . . 22 VAL HG1 . 26691 1 284 . 1 1 25 25 VAL HG12 H 1 0.999 0.008 . 2 . . . . 22 VAL HG1 . 26691 1 285 . 1 1 25 25 VAL HG13 H 1 0.999 0.008 . 2 . . . . 22 VAL HG1 . 26691 1 286 . 1 1 25 25 VAL HG21 H 1 0.341 0.005 . 2 . . . . 22 VAL HG2 . 26691 1 287 . 1 1 25 25 VAL HG22 H 1 0.341 0.005 . 2 . . . . 22 VAL HG2 . 26691 1 288 . 1 1 25 25 VAL HG23 H 1 0.341 0.005 . 2 . . . . 22 VAL HG2 . 26691 1 289 . 1 1 25 25 VAL C C 13 176.347 0.000 . 1 . . . . 22 VAL C . 26691 1 290 . 1 1 25 25 VAL CA C 13 65.062 0.037 . 1 . . . . 22 VAL CA . 26691 1 291 . 1 1 25 25 VAL CB C 13 31.549 0.066 . 1 . . . . 22 VAL CB . 26691 1 292 . 1 1 25 25 VAL CG1 C 13 24.648 0.071 . 1 . . . . 22 VAL CG1 . 26691 1 293 . 1 1 25 25 VAL CG2 C 13 20.227 0.049 . 1 . . . . 22 VAL CG2 . 26691 1 294 . 1 1 25 25 VAL N N 15 123.023 0.026 . 1 . . . . 22 VAL N . 26691 1 295 . 1 1 26 26 GLN H H 1 8.579 0.004 . 1 . . . . 23 GLN H . 26691 1 296 . 1 1 26 26 GLN HA H 1 5.193 0.004 . 1 . . . . 23 GLN HA . 26691 1 297 . 1 1 26 26 GLN HB2 H 1 1.679 0.006 . 1 . . . . 23 GLN HB2 . 26691 1 298 . 1 1 26 26 GLN HB3 H 1 1.539 0.005 . 1 . . . . 23 GLN HB3 . 26691 1 299 . 1 1 26 26 GLN HG2 H 1 2.2 0.003 . 1 . . . . 23 GLN HG2 . 26691 1 300 . 1 1 26 26 GLN HG3 H 1 1.696 0.007 . 1 . . . . 23 GLN HG3 . 26691 1 301 . 1 1 26 26 GLN HE21 H 1 6.382 0.008 . 1 . . . . 23 GLN HE21 . 26691 1 302 . 1 1 26 26 GLN C C 13 175.193 0.000 . 1 . . . . 23 GLN C . 26691 1 303 . 1 1 26 26 GLN CA C 13 54.051 0.032 . 1 . . . . 23 GLN CA . 26691 1 304 . 1 1 26 26 GLN CB C 13 29.549 0.071 . 1 . . . . 23 GLN CB . 26691 1 305 . 1 1 26 26 GLN CG C 13 34.209 0.043 . 1 . . . . 23 GLN CG . 26691 1 306 . 1 1 26 26 GLN N N 15 128.514 0.028 . 1 . . . . 23 GLN N . 26691 1 307 . 1 1 26 26 GLN NE2 N 15 109.282 0.046 . 1 . . . . 23 GLN NE2 . 26691 1 308 . 1 1 27 27 THR H H 1 9.234 0.002 . 1 . . . . 24 THR H . 26691 1 309 . 1 1 27 27 THR HA H 1 6.627 0.004 . 1 . . . . 24 THR HA . 26691 1 310 . 1 1 27 27 THR HB H 1 4.333 0.004 . 1 . . . . 24 THR HB . 26691 1 311 . 1 1 27 27 THR HG21 H 1 1.015 0.006 . 1 . . . . 24 THR HG2 . 26691 1 312 . 1 1 27 27 THR HG22 H 1 1.015 0.006 . 1 . . . . 24 THR HG2 . 26691 1 313 . 1 1 27 27 THR HG23 H 1 1.015 0.006 . 1 . . . . 24 THR HG2 . 26691 1 314 . 1 1 27 27 THR C C 13 175.958 0.000 . 1 . . . . 24 THR C . 26691 1 315 . 1 1 27 27 THR CA C 13 59.429 0.044 . 1 . . . . 24 THR CA . 26691 1 316 . 1 1 27 27 THR CB C 13 73.998 0.048 . 1 . . . . 24 THR CB . 26691 1 317 . 1 1 27 27 THR CG2 C 13 22.667 0.059 . 1 . . . . 24 THR CG2 . 26691 1 318 . 1 1 27 27 THR N N 15 112.072 0.010 . 1 . . . . 24 THR N . 26691 1 319 . 1 1 28 28 CYS H H 1 9.478 0.002 . 1 . . . . 25 CYS H . 26691 1 320 . 1 1 28 28 CYS HA H 1 4.771 0.006 . 1 . . . . 25 CYS HA . 26691 1 321 . 1 1 28 28 CYS HB2 H 1 3.203 0.005 . 1 . . . . 25 CYS HB2 . 26691 1 322 . 1 1 28 28 CYS HB3 H 1 2.677 0.005 . 1 . . . . 25 CYS HB3 . 26691 1 323 . 1 1 28 28 CYS C C 13 177.213 0.000 . 1 . . . . 25 CYS C . 26691 1 324 . 1 1 28 28 CYS CA C 13 60.01 0.261 . 1 . . . . 25 CYS CA . 26691 1 325 . 1 1 28 28 CYS CB C 13 35.179 0.026 . 1 . . . . 25 CYS CB . 26691 1 326 . 1 1 28 28 CYS N N 15 121.322 0.015 . 1 . . . . 25 CYS N . 26691 1 327 . 1 1 29 29 SER H H 1 7.421 0.003 . 1 . . . . 26 SER H . 26691 1 328 . 1 1 29 29 SER HA H 1 5.045 0.004 . 1 . . . . 26 SER HA . 26691 1 329 . 1 1 29 29 SER HB2 H 1 4.41 0.002 . 1 . . . . 26 SER HB2 . 26691 1 330 . 1 1 29 29 SER HB3 H 1 4.313 0.003 . 1 . . . . 26 SER HB3 . 26691 1 331 . 1 1 29 29 SER C C 13 174.806 0.000 . 1 . . . . 26 SER C . 26691 1 332 . 1 1 29 29 SER CA C 13 57.56 0.061 . 1 . . . . 26 SER CA . 26691 1 333 . 1 1 29 29 SER CB C 13 64.875 0.046 . 1 . . . . 26 SER CB . 26691 1 334 . 1 1 29 29 SER N N 15 111.216 0.018 . 1 . . . . 26 SER N . 26691 1 335 . 1 1 30 30 LEU HA H 1 4.019 0.004 . 1 . . . . 27 LEU HA . 26691 1 336 . 1 1 30 30 LEU HB2 H 1 1.766 0.005 . 1 . . . . 27 LEU HB2 . 26691 1 337 . 1 1 30 30 LEU HB3 H 1 1.587 0.005 . 1 . . . . 27 LEU HB3 . 26691 1 338 . 1 1 30 30 LEU HG H 1 1.643 0.005 . 1 . . . . 27 LEU HG . 26691 1 339 . 1 1 30 30 LEU HD11 H 1 0.914 0.002 . 2 . . . . 27 LEU HD1 . 26691 1 340 . 1 1 30 30 LEU HD12 H 1 0.914 0.002 . 2 . . . . 27 LEU HD1 . 26691 1 341 . 1 1 30 30 LEU HD13 H 1 0.914 0.002 . 2 . . . . 27 LEU HD1 . 26691 1 342 . 1 1 30 30 LEU HD21 H 1 0.703 0.003 . 2 . . . . 27 LEU HD2 . 26691 1 343 . 1 1 30 30 LEU HD22 H 1 0.703 0.003 . 2 . . . . 27 LEU HD2 . 26691 1 344 . 1 1 30 30 LEU HD23 H 1 0.703 0.003 . 2 . . . . 27 LEU HD2 . 26691 1 345 . 1 1 30 30 LEU CA C 13 57.797 0.021 . 1 . . . . 27 LEU CA . 26691 1 346 . 1 1 30 30 LEU CB C 13 40.998 0.018 . 1 . . . . 27 LEU CB . 26691 1 347 . 1 1 30 30 LEU CG C 13 27.26 0.032 . 1 . . . . 27 LEU CG . 26691 1 348 . 1 1 30 30 LEU CD1 C 13 24.339 0.063 . 1 . . . . 27 LEU CD1 . 26691 1 349 . 1 1 30 30 LEU CD2 C 13 23.319 0.078 . 1 . . . . 27 LEU CD2 . 26691 1 350 . 1 1 31 31 GLU H H 1 8.875 0.003 . 1 . . . . 28 GLU H . 26691 1 351 . 1 1 31 31 GLU HA H 1 4.039 0.003 . 1 . . . . 28 GLU HA . 26691 1 352 . 1 1 31 31 GLU HB2 H 1 2.227 0.004 . 1 . . . . 28 GLU HB2 . 26691 1 353 . 1 1 31 31 GLU HB3 H 1 2.005 0.005 . 1 . . . . 28 GLU HB3 . 26691 1 354 . 1 1 31 31 GLU HG2 H 1 2.461 0.009 . 1 . . . . 28 GLU HG2 . 26691 1 355 . 1 1 31 31 GLU HG3 H 1 2.282 0.004 . 1 . . . . 28 GLU HG3 . 26691 1 356 . 1 1 31 31 GLU C C 13 179.56 0.000 . 1 . . . . 28 GLU C . 26691 1 357 . 1 1 31 31 GLU CA C 13 60.929 0.022 . 1 . . . . 28 GLU CA . 26691 1 358 . 1 1 31 31 GLU CB C 13 28.926 0.028 . 1 . . . . 28 GLU CB . 26691 1 359 . 1 1 31 31 GLU CG C 13 36.901 0.017 . 1 . . . . 28 GLU CG . 26691 1 360 . 1 1 31 31 GLU N N 15 119.798 0.018 . 1 . . . . 28 GLU N . 26691 1 361 . 1 1 32 32 CYS H H 1 8.116 0.003 . 1 . . . . 29 CYS H . 26691 1 362 . 1 1 32 32 CYS HA H 1 4.249 0.005 . 1 . . . . 29 CYS HA . 26691 1 363 . 1 1 32 32 CYS HB2 H 1 3.018 0.005 . 1 . . . . 29 CYS HB2 . 26691 1 364 . 1 1 32 32 CYS HB3 H 1 2.856 0.004 . 1 . . . . 29 CYS HB3 . 26691 1 365 . 1 1 32 32 CYS C C 13 179.893 0.000 . 1 . . . . 29 CYS C . 26691 1 366 . 1 1 32 32 CYS CA C 13 66.081 0.056 . 1 . . . . 29 CYS CA . 26691 1 367 . 1 1 32 32 CYS CB C 13 30.949 0.028 . 1 . . . . 29 CYS CB . 26691 1 368 . 1 1 32 32 CYS N N 15 120.451 0.012 . 1 . . . . 29 CYS N . 26691 1 369 . 1 1 33 33 SER H H 1 8.666 0.004 . 1 . . . . 30 SER H . 26691 1 370 . 1 1 33 33 SER HA H 1 4.247 0.003 . 1 . . . . 30 SER HA . 26691 1 371 . 1 1 33 33 SER HB2 H 1 4.135 0.004 . 1 . . . . 30 SER HB2 . 26691 1 372 . 1 1 33 33 SER HB3 H 1 4.014 0.004 . 1 . . . . 30 SER HB3 . 26691 1 373 . 1 1 33 33 SER C C 13 178.198 0.000 . 1 . . . . 30 SER C . 26691 1 374 . 1 1 33 33 SER CA C 13 63.184 0.079 . 1 . . . . 30 SER CA . 26691 1 375 . 1 1 33 33 SER CB C 13 62.658 0.105 . 1 . . . . 30 SER CB . 26691 1 376 . 1 1 33 33 SER N N 15 117.222 0.024 . 1 . . . . 30 SER N . 26691 1 377 . 1 1 34 34 LYS H H 1 8.541 0.005 . 1 . . . . 31 LYS H . 26691 1 378 . 1 1 34 34 LYS HA H 1 3.991 0.004 . 1 . . . . 31 LYS HA . 26691 1 379 . 1 1 34 34 LYS HB2 H 1 1.981 0.004 . 2 . . . . 31 LYS HB . 26691 1 380 . 1 1 34 34 LYS HB3 H 1 1.981 0.004 . 2 . . . . 31 LYS HB . 26691 1 381 . 1 1 34 34 LYS HG2 H 1 1.608 0.003 . 1 . . . . 31 LYS HG2 . 26691 1 382 . 1 1 34 34 LYS HG3 H 1 1.439 0.004 . 1 . . . . 31 LYS HG3 . 26691 1 383 . 1 1 34 34 LYS HD2 H 1 1.685 0.002 . 2 . . . . 31 LYS HD . 26691 1 384 . 1 1 34 34 LYS HD3 H 1 1.685 0.002 . 2 . . . . 31 LYS HD . 26691 1 385 . 1 1 34 34 LYS HE2 H 1 2.937 0.006 . 2 . . . . 31 LYS HE . 26691 1 386 . 1 1 34 34 LYS HE3 H 1 2.937 0.006 . 2 . . . . 31 LYS HE . 26691 1 387 . 1 1 34 34 LYS C C 13 177.28 0.000 . 1 . . . . 31 LYS C . 26691 1 388 . 1 1 34 34 LYS CA C 13 60.302 0.094 . 1 . . . . 31 LYS CA . 26691 1 389 . 1 1 34 34 LYS CB C 13 32.209 0.053 . 1 . . . . 31 LYS CB . 26691 1 390 . 1 1 34 34 LYS CG C 13 25.557 0.066 . 1 . . . . 31 LYS CG . 26691 1 391 . 1 1 34 34 LYS CD C 13 29.606 0.009 . 1 . . . . 31 LYS CD . 26691 1 392 . 1 1 34 34 LYS CE C 13 42.209 0.003 . 1 . . . . 31 LYS CE . 26691 1 393 . 1 1 34 34 LYS N N 15 122.734 0.023 . 1 . . . . 31 LYS N . 26691 1 394 . 1 1 35 35 LYS H H 1 7.932 0.005 . 1 . . . . 32 LYS H . 26691 1 395 . 1 1 35 35 LYS HA H 1 4.134 0.004 . 1 . . . . 32 LYS HA . 26691 1 396 . 1 1 35 35 LYS HB2 H 1 2.02 0.004 . 1 . . . . 32 LYS HB2 . 26691 1 397 . 1 1 35 35 LYS HB3 H 1 1.929 0.007 . 1 . . . . 32 LYS HB3 . 26691 1 398 . 1 1 35 35 LYS HG2 H 1 1.614 0.005 . 1 . . . . 32 LYS HG2 . 26691 1 399 . 1 1 35 35 LYS HG3 H 1 1.442 0.005 . 1 . . . . 32 LYS HG3 . 26691 1 400 . 1 1 35 35 LYS HD2 H 1 1.671 0.014 . 2 . . . . 32 LYS HD . 26691 1 401 . 1 1 35 35 LYS HD3 H 1 1.671 0.014 . 2 . . . . 32 LYS HD . 26691 1 402 . 1 1 35 35 LYS HE2 H 1 2.949 0.003 . 2 . . . . 32 LYS HE . 26691 1 403 . 1 1 35 35 LYS HE3 H 1 2.949 0.003 . 2 . . . . 32 LYS HE . 26691 1 404 . 1 1 35 35 LYS C C 13 179.333 0.000 . 1 . . . . 32 LYS C . 26691 1 405 . 1 1 35 35 LYS CA C 13 59.299 0.047 . 1 . . . . 32 LYS CA . 26691 1 406 . 1 1 35 35 LYS CB C 13 32.593 0.027 . 1 . . . . 32 LYS CB . 26691 1 407 . 1 1 35 35 LYS CG C 13 25.748 0.049 . 1 . . . . 32 LYS CG . 26691 1 408 . 1 1 35 35 LYS CD C 13 29.383 0.010 . 1 . . . . 32 LYS CD . 26691 1 409 . 1 1 35 35 LYS CE C 13 42.29 0.000 . 1 . . . . 32 LYS CE . 26691 1 410 . 1 1 35 35 LYS N N 15 119.963 0.019 . 1 . . . . 32 LYS N . 26691 1 411 . 1 1 36 36 HIS H H 1 8.426 0.003 . 1 . . . . 33 HIS H . 26691 1 412 . 1 1 36 36 HIS HA H 1 4.302 0.006 . 1 . . . . 33 HIS HA . 26691 1 413 . 1 1 36 36 HIS HB2 H 1 3.369 0.013 . 1 . . . . 33 HIS HB2 . 26691 1 414 . 1 1 36 36 HIS HB3 H 1 3.147 0.015 . 1 . . . . 33 HIS HB3 . 26691 1 415 . 1 1 36 36 HIS HD2 H 1 7.059 0.046 . 1 . . . . 33 HIS HD2 . 26691 1 416 . 1 1 36 36 HIS HE1 H 1 8.033 0.002 . 1 . . . . 33 HIS HE1 . 26691 1 417 . 1 1 36 36 HIS C C 13 178.772 0.000 . 1 . . . . 33 HIS C . 26691 1 418 . 1 1 36 36 HIS CA C 13 58.398 0.055 . 1 . . . . 33 HIS CA . 26691 1 419 . 1 1 36 36 HIS CB C 13 27.396 0.015 . 1 . . . . 33 HIS CB . 26691 1 420 . 1 1 36 36 HIS CD2 C 13 120.098 0.030 . 1 . . . . 33 HIS CD2 . 26691 1 421 . 1 1 36 36 HIS CE1 C 13 141.034 0.035 . 1 . . . . 33 HIS CE1 . 26691 1 422 . 1 1 36 36 HIS N N 15 118.699 0.026 . 1 . . . . 33 HIS N . 26691 1 423 . 1 1 36 36 HIS ND1 N 15 216.421 0.015 . 1 . . . . 33 HIS ND1 . 26691 1 424 . 1 1 36 36 HIS NE2 N 15 174.615 0.029 . 1 . . . . 33 HIS NE2 . 26691 1 425 . 1 1 37 37 LYS H H 1 7.42 0.005 . 1 . . . . 34 LYS H . 26691 1 426 . 1 1 37 37 LYS HA H 1 3.638 0.003 . 1 . . . . 34 LYS HA . 26691 1 427 . 1 1 37 37 LYS HB2 H 1 1.9 0.004 . 2 . . . . 34 LYS HB . 26691 1 428 . 1 1 37 37 LYS HB3 H 1 1.9 0.004 . 2 . . . . 34 LYS HB . 26691 1 429 . 1 1 37 37 LYS HG2 H 1 1.659 0.004 . 1 . . . . 34 LYS HG2 . 26691 1 430 . 1 1 37 37 LYS HG3 H 1 1.205 0.009 . 1 . . . . 34 LYS HG3 . 26691 1 431 . 1 1 37 37 LYS HD2 H 1 1.673 0.005 . 2 . . . . 34 LYS HD . 26691 1 432 . 1 1 37 37 LYS HD3 H 1 1.673 0.005 . 2 . . . . 34 LYS HD . 26691 1 433 . 1 1 37 37 LYS HE2 H 1 2.945 0.002 . 2 . . . . 34 LYS HE . 26691 1 434 . 1 1 37 37 LYS HE3 H 1 2.945 0.002 . 2 . . . . 34 LYS HE . 26691 1 435 . 1 1 37 37 LYS CA C 13 60.169 0.053 . 1 . . . . 34 LYS CA . 26691 1 436 . 1 1 37 37 LYS CB C 13 32.235 0.058 . 1 . . . . 34 LYS CB . 26691 1 437 . 1 1 37 37 LYS CG C 13 25.415 0.057 . 1 . . . . 34 LYS CG . 26691 1 438 . 1 1 37 37 LYS CD C 13 29.801 0.049 . 1 . . . . 34 LYS CD . 26691 1 439 . 1 1 37 37 LYS CE C 13 42.215 0.008 . 1 . . . . 34 LYS CE . 26691 1 440 . 1 1 37 37 LYS N N 15 118.268 0.025 . 1 . . . . 34 LYS N . 26691 1 441 . 1 1 38 38 THR HA H 1 4.106 0.003 . 1 . . . . 35 THR HA . 26691 1 442 . 1 1 38 38 THR HB H 1 4.173 0.006 . 1 . . . . 35 THR HB . 26691 1 443 . 1 1 38 38 THR HG21 H 1 1.257 0.004 . 1 . . . . 35 THR HG2 . 26691 1 444 . 1 1 38 38 THR HG22 H 1 1.257 0.004 . 1 . . . . 35 THR HG2 . 26691 1 445 . 1 1 38 38 THR HG23 H 1 1.257 0.004 . 1 . . . . 35 THR HG2 . 26691 1 446 . 1 1 38 38 THR CA C 13 64.364 0.046 . 1 . . . . 35 THR CA . 26691 1 447 . 1 1 38 38 THR CB C 13 69.192 0.026 . 1 . . . . 35 THR CB . 26691 1 448 . 1 1 38 38 THR CG2 C 13 22.056 0.037 . 1 . . . . 35 THR CG2 . 26691 1 449 . 1 1 39 39 ARG HA H 1 4.05 0.003 . 1 . . . . 36 ARG HA . 26691 1 450 . 1 1 39 39 ARG HB2 H 1 1.86 0.013 . 2 . . . . 36 ARG HB . 26691 1 451 . 1 1 39 39 ARG HB3 H 1 1.86 0.013 . 2 . . . . 36 ARG HB . 26691 1 452 . 1 1 39 39 ARG HG2 H 1 1.83 0.006 . 1 . . . . 36 ARG HG2 . 26691 1 453 . 1 1 39 39 ARG HG3 H 1 1.647 0.006 . 1 . . . . 36 ARG HG3 . 26691 1 454 . 1 1 39 39 ARG HD2 H 1 3.318 0.005 . 1 . . . . 36 ARG HD2 . 26691 1 455 . 1 1 39 39 ARG HD3 H 1 3.01 0.004 . 1 . . . . 36 ARG HD3 . 26691 1 456 . 1 1 39 39 ARG CA C 13 59.034 0.040 . 1 . . . . 36 ARG CA . 26691 1 457 . 1 1 39 39 ARG CB C 13 31.467 0.055 . 1 . . . . 36 ARG CB . 26691 1 458 . 1 1 39 39 ARG CG C 13 26.104 0.037 . 1 . . . . 36 ARG CG . 26691 1 459 . 1 1 39 39 ARG CD C 13 43.861 0.070 . 1 . . . . 36 ARG CD . 26691 1 460 . 1 1 40 40 ASP H H 1 8.011 0.003 . 1 . . . . 37 ASP H . 26691 1 461 . 1 1 40 40 ASP HA H 1 4.786 0.003 . 1 . . . . 37 ASP HA . 26691 1 462 . 1 1 40 40 ASP HB2 H 1 2.922 0.006 . 1 . . . . 37 ASP HB2 . 26691 1 463 . 1 1 40 40 ASP HB3 H 1 2.56 0.006 . 1 . . . . 37 ASP HB3 . 26691 1 464 . 1 1 40 40 ASP C C 13 177.616 0.000 . 1 . . . . 37 ASP C . 26691 1 465 . 1 1 40 40 ASP CA C 13 54.135 0.041 . 1 . . . . 37 ASP CA . 26691 1 466 . 1 1 40 40 ASP CB C 13 40.36 0.094 . 1 . . . . 37 ASP CB . 26691 1 467 . 1 1 40 40 ASP N N 15 113.984 0.020 . 1 . . . . 37 ASP N . 26691 1 468 . 1 1 41 41 ASN H H 1 7.474 0.006 . 1 . . . . 38 ASN H . 26691 1 469 . 1 1 41 41 ASN HA H 1 4.342 0.003 . 1 . . . . 38 ASN HA . 26691 1 470 . 1 1 41 41 ASN HB2 H 1 3.072 0.005 . 1 . . . . 38 ASN HB2 . 26691 1 471 . 1 1 41 41 ASN HB3 H 1 2.668 0.006 . 1 . . . . 38 ASN HB3 . 26691 1 472 . 1 1 41 41 ASN HD21 H 1 7.479 0.004 . 1 . . . . 38 ASN HD21 . 26691 1 473 . 1 1 41 41 ASN HD22 H 1 6.736 0.002 . 1 . . . . 38 ASN HD22 . 26691 1 474 . 1 1 41 41 ASN C C 13 175.772 0.000 . 1 . . . . 38 ASN C . 26691 1 475 . 1 1 41 41 ASN CA C 13 54.024 0.033 . 1 . . . . 38 ASN CA . 26691 1 476 . 1 1 41 41 ASN CB C 13 37.225 0.044 . 1 . . . . 38 ASN CB . 26691 1 477 . 1 1 41 41 ASN N N 15 117.891 0.014 . 1 . . . . 38 ASN N . 26691 1 478 . 1 1 41 41 ASN ND2 N 15 111.992 0.015 . 1 . . . . 38 ASN ND2 . 26691 1 479 . 1 1 42 42 CYS H H 1 7.696 0.003 . 1 . . . . 39 CYS H . 26691 1 480 . 1 1 42 42 CYS HA H 1 4.511 0.008 . 1 . . . . 39 CYS HA . 26691 1 481 . 1 1 42 42 CYS HB2 H 1 2.456 0.005 . 1 . . . . 39 CYS HB2 . 26691 1 482 . 1 1 42 42 CYS HB3 H 1 2.239 0.003 . 1 . . . . 39 CYS HB3 . 26691 1 483 . 1 1 42 42 CYS C C 13 173.534 0.000 . 1 . . . . 39 CYS C . 26691 1 484 . 1 1 42 42 CYS CA C 13 58.346 0.074 . 1 . . . . 39 CYS CA . 26691 1 485 . 1 1 42 42 CYS CB C 13 30.842 0.029 . 1 . . . . 39 CYS CB . 26691 1 486 . 1 1 42 42 CYS N N 15 120.336 0.017 . 1 . . . . 39 CYS N . 26691 1 487 . 1 1 43 43 SER H H 1 8.471 0.013 . 1 . . . . 40 SER H . 26691 1 488 . 1 1 43 43 SER HA H 1 4.306 0.006 . 1 . . . . 40 SER HA . 26691 1 489 . 1 1 43 43 SER HB2 H 1 3.97 0.005 . 1 . . . . 40 SER HB2 . 26691 1 490 . 1 1 43 43 SER HB3 H 1 3.904 0.009 . 1 . . . . 40 SER HB3 . 26691 1 491 . 1 1 43 43 SER C C 13 175.553 0.000 . 1 . . . . 40 SER C . 26691 1 492 . 1 1 43 43 SER CA C 13 59.143 0.051 . 1 . . . . 40 SER CA . 26691 1 493 . 1 1 43 43 SER CB C 13 64.057 0.020 . 1 . . . . 40 SER CB . 26691 1 494 . 1 1 43 43 SER N N 15 121.737 0.033 . 1 . . . . 40 SER N . 26691 1 495 . 1 1 44 44 GLY HA2 H 1 4.098 0.004 . 1 . . . . 41 GLY HA2 . 26691 1 496 . 1 1 44 44 GLY HA3 H 1 3.954 0.004 . 1 . . . . 41 GLY HA3 . 26691 1 497 . 1 1 44 44 GLY CA C 13 45.91 0.009 . 1 . . . . 41 GLY CA . 26691 1 498 . 1 1 45 45 GLN H H 1 8.011 0.002 . 1 . . . . 42 GLN H . 26691 1 499 . 1 1 45 45 GLN HA H 1 4.554 0.004 . 1 . . . . 42 GLN HA . 26691 1 500 . 1 1 45 45 GLN HB2 H 1 2.058 0.006 . 1 . . . . 42 GLN HB2 . 26691 1 501 . 1 1 45 45 GLN HB3 H 1 1.9 0.004 . 1 . . . . 42 GLN HB3 . 26691 1 502 . 1 1 45 45 GLN HG2 H 1 2.311 0.004 . 2 . . . . 42 GLN HG . 26691 1 503 . 1 1 45 45 GLN HG3 H 1 2.311 0.004 . 2 . . . . 42 GLN HG . 26691 1 504 . 1 1 45 45 GLN HE21 H 1 7.432 0.004 . 1 . . . . 42 GLN HE21 . 26691 1 505 . 1 1 45 45 GLN HE22 H 1 6.8 0.003 . 1 . . . . 42 GLN HE22 . 26691 1 506 . 1 1 45 45 GLN C C 13 173.004 0.000 . 1 . . . . 42 GLN C . 26691 1 507 . 1 1 45 45 GLN CA C 13 55.08 0.033 . 1 . . . . 42 GLN CA . 26691 1 508 . 1 1 45 45 GLN CB C 13 30.613 0.049 . 1 . . . . 42 GLN CB . 26691 1 509 . 1 1 45 45 GLN CG C 13 33.572 0.051 . 1 . . . . 42 GLN CG . 26691 1 510 . 1 1 45 45 GLN N N 15 118.668 0.011 . 1 . . . . 42 GLN N . 26691 1 511 . 1 1 45 45 GLN NE2 N 15 111.934 0.002 . 1 . . . . 42 GLN NE2 . 26691 1 512 . 1 1 46 46 THR HB H 1 4.214 0.004 . 1 . . . . 43 THR HB . 26691 1 513 . 1 1 46 46 THR HG21 H 1 1.136 0.003 . 1 . . . . 43 THR HG2 . 26691 1 514 . 1 1 46 46 THR HG22 H 1 1.136 0.003 . 1 . . . . 43 THR HG2 . 26691 1 515 . 1 1 46 46 THR HG23 H 1 1.136 0.003 . 1 . . . . 43 THR HG2 . 26691 1 516 . 1 1 46 46 THR CB C 13 69.631 0.060 . 1 . . . . 43 THR CB . 26691 1 517 . 1 1 46 46 THR CG2 C 13 21.749 0.024 . 1 . . . . 43 THR CG2 . 26691 1 518 . 1 1 47 47 HIS CA C 13 55.501 0.039 . 1 . . . . 44 HIS CA . 26691 1 519 . 1 1 47 47 HIS CB C 13 30.54 0.000 . 1 . . . . 44 HIS CB . 26691 1 520 . 1 1 48 48 ASP H H 1 8.156 0.017 . 1 . . . . 45 ASP H . 26691 1 521 . 1 1 48 48 ASP C C 13 173.797 0.000 . 1 . . . . 45 ASP C . 26691 1 522 . 1 1 48 48 ASP CA C 13 56.043 0.000 . 1 . . . . 45 ASP CA . 26691 1 523 . 1 1 48 48 ASP N N 15 127.049 0.038 . 1 . . . . 45 ASP N . 26691 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26691 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 2 '2D 1H-15N HSQC' . . . 26691 2 3 '2D 1H-13C HSQC aliphatic' . . . 26691 2 4 '3D CBCA(CO)NH' . . . 26691 2 5 '3D HNCO' . . . 26691 2 6 '3D HNHA' . . . 26691 2 7 '3D HNCACB' . . . 26691 2 8 '3D HCCH-TOCSY' . . . 26691 2 12 '2D 1H-13C HSQC aromatic' . . . 26691 2 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 2 2 PRO HA H 1 4.295 0.001 . 1 . . . . -1 P HA . 26691 2 2 . 1 1 2 2 PRO HB2 H 1 2.106 0.001 . 1 . . . . -1 P HB2 . 26691 2 3 . 1 1 2 2 PRO HB3 H 1 1.682 0.001 . 1 . . . . -1 P HB3 . 26691 2 4 . 1 1 2 2 PRO HG2 H 1 1.827 0.014 . 1 . . . . -1 P HG2 . 26691 2 5 . 1 1 2 2 PRO HG3 H 1 1.769 0.002 . 1 . . . . -1 P HG3 . 26691 2 6 . 1 1 2 2 PRO HD2 H 1 3.403 0.000 . 2 . . . . -1 P HD . 26691 2 7 . 1 1 2 2 PRO HD3 H 1 3.403 0.000 . 2 . . . . -1 P HD . 26691 2 8 . 1 1 2 2 PRO C C 13 176.35 0.000 . 1 . . . . -1 P C . 26691 2 9 . 1 1 2 2 PRO CA C 13 62.802 0.038 . 1 . . . . -1 P CA . 26691 2 10 . 1 1 2 2 PRO CB C 13 32.094 0.058 . 1 . . . . -1 P CB . 26691 2 11 . 1 1 2 2 PRO CG C 13 26.848 0.059 . 1 . . . . -1 P CG . 26691 2 12 . 1 1 2 2 PRO CD C 13 49.541 0.020 . 1 . . . . -1 P CD . 26691 2 13 . 1 1 3 3 HIS H H 1 8.386 0.001 . 1 . . . . 0 H H . 26691 2 14 . 1 1 3 3 HIS HA H 1 4.266 0.000 . 1 . . . . 0 H HA . 26691 2 15 . 1 1 3 3 HIS HB2 H 1 2.559 0.000 . 1 . . . . 0 H HB2 . 26691 2 16 . 1 1 3 3 HIS HB3 H 1 2.408 0.000 . 1 . . . . 0 H HB3 . 26691 2 17 . 1 1 3 3 HIS C C 13 174.99 0.000 . 1 . . . . 0 H C . 26691 2 18 . 1 1 3 3 HIS CA C 13 56.012 0.142 . 1 . . . . 0 H CA . 26691 2 19 . 1 1 3 3 HIS CB C 13 30.12 0.000 . 1 . . . . 0 H CB . 26691 2 20 . 1 1 3 3 HIS N N 15 120.179 0.020 . 1 . . . . 0 H N . 26691 2 21 . 1 1 4 4 MET H H 1 8.097 0.001 . 1 . . . . 1 M H . 26691 2 22 . 1 1 4 4 MET HA H 1 4.488 0.000 . 1 . . . . 1 M HA . 26691 2 23 . 1 1 4 4 MET HB2 H 1 1.772 0.000 . 2 . . . . 1 M HB . 26691 2 24 . 1 1 4 4 MET HB3 H 1 1.772 0.000 . 2 . . . . 1 M HB . 26691 2 25 . 1 1 4 4 MET HG2 H 1 1.418 0.000 . 1 . . . . 1 M HG2 . 26691 2 26 . 1 1 4 4 MET HG3 H 1 1.328 0.000 . 1 . . . . 1 M HG3 . 26691 2 27 . 1 1 4 4 MET HE1 H 1 1.924 0.001 . 1 . . . . 1 M HE . 26691 2 28 . 1 1 4 4 MET HE2 H 1 1.924 0.001 . 1 . . . . 1 M HE . 26691 2 29 . 1 1 4 4 MET HE3 H 1 1.924 0.001 . 1 . . . . 1 M HE . 26691 2 30 . 1 1 4 4 MET C C 13 175.692 0.000 . 1 . . . . 1 M C . 26691 2 31 . 1 1 4 4 MET CA C 13 55.436 0.070 . 1 . . . . 1 M CA . 26691 2 32 . 1 1 4 4 MET CB C 13 32.65 0.000 . 1 . . . . 1 M CB . 26691 2 33 . 1 1 4 4 MET CG C 13 25.415 0.000 . 1 . . . . 1 M CG . 26691 2 34 . 1 1 4 4 MET CE C 13 16.744 0.011 . 1 . . . . 1 M CE . 26691 2 35 . 1 1 4 4 MET N N 15 122.497 0.008 . 1 . . . . 1 M N . 26691 2 36 . 1 1 5 5 ALA H H 1 8.313 0.004 . 1 . . . . 2 A H . 26691 2 37 . 1 1 5 5 ALA HA H 1 4.162 0.002 . 1 . . . . 2 A HA . 26691 2 38 . 1 1 5 5 ALA HB1 H 1 1.203 0.005 . 1 . . . . 2 A HB . 26691 2 39 . 1 1 5 5 ALA HB2 H 1 1.203 0.005 . 1 . . . . 2 A HB . 26691 2 40 . 1 1 5 5 ALA HB3 H 1 1.203 0.005 . 1 . . . . 2 A HB . 26691 2 41 . 1 1 5 5 ALA C C 13 177.349 0.000 . 1 . . . . 2 A C . 26691 2 42 . 1 1 5 5 ALA CA C 13 52.534 0.019 . 1 . . . . 2 A CA . 26691 2 43 . 1 1 5 5 ALA CB C 13 19.221 0.079 . 1 . . . . 2 A CB . 26691 2 44 . 1 1 5 5 ALA N N 15 125.056 0.013 . 1 . . . . 2 A N . 26691 2 45 . 1 1 6 6 VAL H H 1 8.067 0.007 . 1 . . . . 3 V H . 26691 2 46 . 1 1 6 6 VAL HB H 1 2.108 0.004 . 1 . . . . 3 V HB . 26691 2 47 . 1 1 6 6 VAL HG21 H 1 0.69 0.001 . 1 . . . . 3 V HG2 . 26691 2 48 . 1 1 6 6 VAL HG22 H 1 0.69 0.001 . 1 . . . . 3 V HG2 . 26691 2 49 . 1 1 6 6 VAL HG23 H 1 0.69 0.001 . 1 . . . . 3 V HG2 . 26691 2 50 . 1 1 6 6 VAL C C 13 175.29 0.000 . 1 . . . . 3 V C . 26691 2 51 . 1 1 6 6 VAL CA C 13 62.001 0.015 . 1 . . . . 3 V CA . 26691 2 52 . 1 1 6 6 VAL CB C 13 32.104 0.039 . 1 . . . . 3 V CB . 26691 2 53 . 1 1 6 6 VAL CG2 C 13 21.352 0.003 . 1 . . . . 3 V CG2 . 26691 2 54 . 1 1 6 6 VAL N N 15 118.206 0.028 . 1 . . . . 3 V N . 26691 2 55 . 1 1 7 7 LEU H H 1 7.822 0.008 . 1 . . . . 4 L H . 26691 2 56 . 1 1 7 7 LEU HA H 1 4.258 0.007 . 1 . . . . 4 L HA . 26691 2 57 . 1 1 7 7 LEU HB2 H 1 1.535 0.002 . 1 . . . . 4 L HB2 . 26691 2 58 . 1 1 7 7 LEU HB3 H 1 0.861 0.003 . 1 . . . . 4 L HB3 . 26691 2 59 . 1 1 7 7 LEU HG H 1 1.443 0.003 . 1 . . . . 4 L HG . 26691 2 60 . 1 1 7 7 LEU HD11 H 1 0.659 0.004 . 1 . . . . 4 L HD1 . 26691 2 61 . 1 1 7 7 LEU HD12 H 1 0.659 0.004 . 1 . . . . 4 L HD1 . 26691 2 62 . 1 1 7 7 LEU HD13 H 1 0.659 0.004 . 1 . . . . 4 L HD1 . 26691 2 63 . 1 1 7 7 LEU HD21 H 1 0.38 0.009 . 1 . . . . 4 L HD2 . 26691 2 64 . 1 1 7 7 LEU HD22 H 1 0.38 0.009 . 1 . . . . 4 L HD2 . 26691 2 65 . 1 1 7 7 LEU HD23 H 1 0.38 0.009 . 1 . . . . 4 L HD2 . 26691 2 66 . 1 1 7 7 LEU C C 13 175.29 0.000 . 1 . . . . 4 L C . 26691 2 67 . 1 1 7 7 LEU CA C 13 54.091 0.019 . 1 . . . . 4 L CA . 26691 2 68 . 1 1 7 7 LEU CB C 13 43.148 0.028 . 1 . . . . 4 L CB . 26691 2 69 . 1 1 7 7 LEU CG C 13 26.497 0.000 . 1 . . . . 4 L CG . 26691 2 70 . 1 1 7 7 LEU CD1 C 13 24.974 0.049 . 1 . . . . 4 L CD1 . 26691 2 71 . 1 1 7 7 LEU CD2 C 13 22.044 0.033 . 1 . . . . 4 L CD2 . 26691 2 72 . 1 1 7 7 LEU N N 15 123.729 0.032 . 1 . . . . 4 L N . 26691 2 73 . 1 1 8 8 CYS H H 1 8.54 0.005 . 1 . . . . 5 C H . 26691 2 74 . 1 1 8 8 CYS HA H 1 3.793 0.011 . 1 . . . . 5 C HA . 26691 2 75 . 1 1 8 8 CYS HB2 H 1 3.324 0.011 . 1 . . . . 5 C HB2 . 26691 2 76 . 1 1 8 8 CYS HB3 H 1 2.796 0.011 . 1 . . . . 5 C HB3 . 26691 2 77 . 1 1 8 8 CYS C C 13 177.081 0.000 . 1 . . . . 5 C C . 26691 2 78 . 1 1 8 8 CYS CA C 13 59.794 0.040 . 1 . . . . 5 C CA . 26691 2 79 . 1 1 8 8 CYS CB C 13 31.932 0.118 . 1 . . . . 5 C CB . 26691 2 80 . 1 1 8 8 CYS N N 15 120.753 0.000 . 1 . . . . 5 C N . 26691 2 81 . 1 1 9 9 GLY H H 1 9.429 0.006 . 1 . . . . 6 G H . 26691 2 82 . 1 1 9 9 GLY HA2 H 1 4.057 0.005 . 1 . . . . 6 G HA2 . 26691 2 83 . 1 1 9 9 GLY HA3 H 1 3.714 0.002 . 1 . . . . 6 G HA3 . 26691 2 84 . 1 1 9 9 GLY C C 13 173.316 0.000 . 1 . . . . 6 G C . 26691 2 85 . 1 1 9 9 GLY CA C 13 46.302 0.051 . 1 . . . . 6 G CA . 26691 2 86 . 1 1 9 9 GLY N N 15 117.661 0.021 . 1 . . . . 6 G N . 26691 2 87 . 1 1 10 10 VAL H H 1 9.029 0.005 . 1 . . . . 7 V H . 26691 2 88 . 1 1 10 10 VAL HA H 1 4.029 0.004 . 1 . . . . 7 V HA . 26691 2 89 . 1 1 10 10 VAL HB H 1 2.101 0.006 . 1 . . . . 7 V HB . 26691 2 90 . 1 1 10 10 VAL HG11 H 1 0.87 0.003 . 1 . . . . 7 V HG1 . 26691 2 91 . 1 1 10 10 VAL HG12 H 1 0.87 0.003 . 1 . . . . 7 V HG1 . 26691 2 92 . 1 1 10 10 VAL HG13 H 1 0.87 0.003 . 1 . . . . 7 V HG1 . 26691 2 93 . 1 1 10 10 VAL HG21 H 1 0.795 0.002 . 1 . . . . 7 V HG2 . 26691 2 94 . 1 1 10 10 VAL HG22 H 1 0.795 0.002 . 1 . . . . 7 V HG2 . 26691 2 95 . 1 1 10 10 VAL HG23 H 1 0.795 0.002 . 1 . . . . 7 V HG2 . 26691 2 96 . 1 1 10 10 VAL C C 13 176.172 0.000 . 1 . . . . 7 V C . 26691 2 97 . 1 1 10 10 VAL CA C 13 64.544 0.050 . 1 . . . . 7 V CA . 26691 2 98 . 1 1 10 10 VAL CB C 13 32.697 0.049 . 1 . . . . 7 V CB . 26691 2 99 . 1 1 10 10 VAL CG1 C 13 21.598 0.029 . 1 . . . . 7 V CG1 . 26691 2 100 . 1 1 10 10 VAL CG2 C 13 21.397 0.031 . 1 . . . . 7 V CG2 . 26691 2 101 . 1 1 10 10 VAL N N 15 122.739 0.020 . 1 . . . . 7 V N . 26691 2 102 . 1 1 11 11 CYS H H 1 8.371 0.006 . 1 . . . . 8 C H . 26691 2 103 . 1 1 11 11 CYS HA H 1 4.657 0.004 . 1 . . . . 8 C HA . 26691 2 104 . 1 1 11 11 CYS HB2 H 1 2.973 0.006 . 1 . . . . 8 C HB2 . 26691 2 105 . 1 1 11 11 CYS HB3 H 1 2.831 0.011 . 1 . . . . 8 C HB3 . 26691 2 106 . 1 1 11 11 CYS C C 13 176.875 0.000 . 1 . . . . 8 C C . 26691 2 107 . 1 1 11 11 CYS CA C 13 59.349 0.022 . 1 . . . . 8 C CA . 26691 2 108 . 1 1 11 11 CYS CB C 13 31.791 0.054 . 1 . . . . 8 C CB . 26691 2 109 . 1 1 11 11 CYS N N 15 118.652 0.012 . 1 . . . . 8 C N . 26691 2 110 . 1 1 12 12 GLY H H 1 7.252 0.004 . 1 . . . . 9 G H . 26691 2 111 . 1 1 12 12 GLY HA2 H 1 3.943 0.005 . 2 . . . . 9 G HA . 26691 2 112 . 1 1 12 12 GLY HA3 H 1 3.943 0.005 . 2 . . . . 9 G HA . 26691 2 113 . 1 1 12 12 GLY C C 13 176.875 0.000 . 1 . . . . 9 G C . 26691 2 114 . 1 1 12 12 GLY CA C 13 46.747 0.037 . 1 . . . . 9 G CA . 26691 2 115 . 1 1 12 12 GLY N N 15 110.476 0.035 . 1 . . . . 9 G N . 26691 2 116 . 1 1 13 13 ILE H H 1 7.955 0.007 . 1 . . . . 10 I H . 26691 2 117 . 1 1 13 13 ILE HA H 1 4.378 0.003 . 1 . . . . 10 I HA . 26691 2 118 . 1 1 13 13 ILE HB H 1 1.945 0.003 . 1 . . . . 10 I HB . 26691 2 119 . 1 1 13 13 ILE HG12 H 1 1.366 0.005 . 1 . . . . 10 I HG12 . 26691 2 120 . 1 1 13 13 ILE HG13 H 1 0.997 0.004 . 1 . . . . 10 I HG13 . 26691 2 121 . 1 1 13 13 ILE HG21 H 1 0.812 0.010 . 1 . . . . 10 I HG2 . 26691 2 122 . 1 1 13 13 ILE HG22 H 1 0.812 0.010 . 1 . . . . 10 I HG2 . 26691 2 123 . 1 1 13 13 ILE HG23 H 1 0.812 0.010 . 1 . . . . 10 I HG2 . 26691 2 124 . 1 1 13 13 ILE HD11 H 1 0.741 0.005 . 1 . . . . 10 I HD1 . 26691 2 125 . 1 1 13 13 ILE HD12 H 1 0.741 0.005 . 1 . . . . 10 I HD1 . 26691 2 126 . 1 1 13 13 ILE HD13 H 1 0.741 0.005 . 1 . . . . 10 I HD1 . 26691 2 127 . 1 1 13 13 ILE C C 13 175.519 0.000 . 1 . . . . 10 I C . 26691 2 128 . 1 1 13 13 ILE CA C 13 62.165 0.053 . 1 . . . . 10 I CA . 26691 2 129 . 1 1 13 13 ILE CB C 13 40.817 0.018 . 1 . . . . 10 I CB . 26691 2 130 . 1 1 13 13 ILE CG1 C 13 26.96 0.042 . 1 . . . . 10 I CG1 . 26691 2 131 . 1 1 13 13 ILE CG2 C 13 17.524 0.031 . 1 . . . . 10 I CG2 . 26691 2 132 . 1 1 13 13 ILE CD1 C 13 13.313 0.025 . 1 . . . . 10 I CD1 . 26691 2 133 . 1 1 13 13 ILE N N 15 115.299 0.019 . 1 . . . . 10 I N . 26691 2 134 . 1 1 14 14 LYS H H 1 8.004 0.006 . 1 . . . . 11 K H . 26691 2 135 . 1 1 14 14 LYS HA H 1 4.429 0.004 . 1 . . . . 11 K HA . 26691 2 136 . 1 1 14 14 LYS HB2 H 1 2.148 0.004 . 2 . . . . 11 K HB . 26691 2 137 . 1 1 14 14 LYS HB3 H 1 2.148 0.004 . 2 . . . . 11 K HB . 26691 2 138 . 1 1 14 14 LYS HG2 H 1 1.892 0.004 . 1 . . . . 11 K HG2 . 26691 2 139 . 1 1 14 14 LYS HG3 H 1 1.723 0.004 . 1 . . . . 11 K HG3 . 26691 2 140 . 1 1 14 14 LYS C C 13 175.168 0.000 . 1 . . . . 11 K C . 26691 2 141 . 1 1 14 14 LYS CA C 13 54.647 0.087 . 1 . . . . 11 K CA . 26691 2 142 . 1 1 14 14 LYS CB C 13 33.25 0.032 . 1 . . . . 11 K CB . 26691 2 143 . 1 1 14 14 LYS CG C 13 30.568 0.037 . 1 . . . . 11 K CG . 26691 2 144 . 1 1 14 14 LYS N N 15 125.387 0.032 . 1 . . . . 11 K N . 26691 2 145 . 1 1 15 15 GLU H H 1 8.683 0.015 . 1 . . . . 12 E H . 26691 2 146 . 1 1 15 15 GLU HA H 1 4.16 0.004 . 1 . . . . 12 E HA . 26691 2 147 . 1 1 15 15 GLU HB2 H 1 2.11 0.006 . 2 . . . . 12 E HB . 26691 2 148 . 1 1 15 15 GLU HB3 H 1 2.11 0.006 . 2 . . . . 12 E HB . 26691 2 149 . 1 1 15 15 GLU HG2 H 1 1.748 0.004 . 2 . . . . 12 E HG . 26691 2 150 . 1 1 15 15 GLU HG3 H 1 1.748 0.004 . 2 . . . . 12 E HG . 26691 2 151 . 1 1 15 15 GLU C C 13 176.094 0.000 . 1 . . . . 12 E C . 26691 2 152 . 1 1 15 15 GLU CA C 13 56.786 0.038 . 1 . . . . 12 E CA . 26691 2 153 . 1 1 15 15 GLU CB C 13 36.521 0.045 . 1 . . . . 12 E CB . 26691 2 154 . 1 1 15 15 GLU CG C 13 30.051 0.031 . 1 . . . . 12 E CG . 26691 2 155 . 1 1 15 15 GLU N N 15 122.336 0.013 . 1 . . . . 12 E N . 26691 2 156 . 1 1 16 16 PHE H H 1 8.322 0.008 . 1 . . . . 13 F H . 26691 2 157 . 1 1 16 16 PHE HA H 1 3.756 0.004 . 1 . . . . 13 F HA . 26691 2 158 . 1 1 16 16 PHE HB2 H 1 2.862 0.007 . 1 . . . . 13 F HB2 . 26691 2 159 . 1 1 16 16 PHE HB3 H 1 2.418 0.008 . 1 . . . . 13 F HB3 . 26691 2 160 . 1 1 16 16 PHE HD1 H 1 7.025 0.007 . 3 . . . . 13 F QD . 26691 2 161 . 1 1 16 16 PHE HD2 H 1 7.025 0.007 . 3 . . . . 13 F QD . 26691 2 162 . 1 1 16 16 PHE HE1 H 1 7.016 0.000 . 3 . . . . 13 F QE . 26691 2 163 . 1 1 16 16 PHE HE2 H 1 7.016 0.000 . 3 . . . . 13 F QE . 26691 2 164 . 1 1 16 16 PHE C C 13 176.094 0.000 . 1 . . . . 13 F C . 26691 2 165 . 1 1 16 16 PHE CA C 13 57.473 0.044 . 1 . . . . 13 F CA . 26691 2 166 . 1 1 16 16 PHE CB C 13 39.433 0.075 . 1 . . . . 13 F CB . 26691 2 167 . 1 1 16 16 PHE CD1 C 13 132.403 0.017 . 1 . . . . 13 F CD1 . 26691 2 168 . 1 1 16 16 PHE CE1 C 13 131.065 0.000 . 1 . . . . 13 F CE1 . 26691 2 169 . 1 1 16 16 PHE N N 15 120.547 0.026 . 1 . . . . 13 F N . 26691 2 170 . 1 1 17 17 LYS H H 1 8.526 0.006 . 1 . . . . 14 K H . 26691 2 171 . 1 1 17 17 LYS HA H 1 3.757 0.002 . 1 . . . . 14 K HA . 26691 2 172 . 1 1 17 17 LYS HB2 H 1 0.959 0.004 . 2 . . . . 14 K HB . 26691 2 173 . 1 1 17 17 LYS HB3 H 1 0.959 0.004 . 2 . . . . 14 K HB . 26691 2 174 . 1 1 17 17 LYS HG2 H 1 0.845 0.006 . 1 . . . . 14 K HG2 . 26691 2 175 . 1 1 17 17 LYS HG3 H 1 0.684 0.007 . 1 . . . . 14 K HG3 . 26691 2 176 . 1 1 17 17 LYS HD2 H 1 1.317 0.006 . 2 . . . . 14 K HD . 26691 2 177 . 1 1 17 17 LYS HD3 H 1 1.317 0.006 . 2 . . . . 14 K HD . 26691 2 178 . 1 1 17 17 LYS HE2 H 1 2.708 0.002 . 2 . . . . 14 K HE . 26691 2 179 . 1 1 17 17 LYS HE3 H 1 2.708 0.002 . 2 . . . . 14 K HE . 26691 2 180 . 1 1 17 17 LYS C C 13 174.342 0.000 . 1 . . . . 14 K C . 26691 2 181 . 1 1 17 17 LYS CA C 13 56.46 0.048 . 1 . . . . 14 K CA . 26691 2 182 . 1 1 17 17 LYS CB C 13 36.608 0.043 . 1 . . . . 14 K CB . 26691 2 183 . 1 1 17 17 LYS CG C 13 24.276 0.022 . 1 . . . . 14 K CG . 26691 2 184 . 1 1 17 17 LYS CD C 13 28.758 0.011 . 1 . . . . 14 K CD . 26691 2 185 . 1 1 17 17 LYS CE C 13 41.959 0.044 . 1 . . . . 14 K CE . 26691 2 186 . 1 1 17 17 LYS N N 15 119.109 0.037 . 1 . . . . 14 K N . 26691 2 187 . 1 1 18 18 TYR H H 1 8.384 0.009 . 1 . . . . 15 Y H . 26691 2 188 . 1 1 18 18 TYR HA H 1 4.802 0.009 . 1 . . . . 15 Y HA . 26691 2 189 . 1 1 18 18 TYR HB2 H 1 2.899 0.006 . 1 . . . . 15 Y HB2 . 26691 2 190 . 1 1 18 18 TYR HB3 H 1 2.719 0.004 . 1 . . . . 15 Y HB3 . 26691 2 191 . 1 1 18 18 TYR HD1 H 1 6.813 0.007 . 3 . . . . 15 Y QD . 26691 2 192 . 1 1 18 18 TYR HD2 H 1 6.813 0.007 . 3 . . . . 15 Y QD . 26691 2 193 . 1 1 18 18 TYR HE1 H 1 6.523 0.009 . 3 . . . . 15 Y QE . 26691 2 194 . 1 1 18 18 TYR HE2 H 1 6.523 0.009 . 3 . . . . 15 Y QE . 26691 2 195 . 1 1 18 18 TYR C C 13 174.371 0.000 . 1 . . . . 15 Y C . 26691 2 196 . 1 1 18 18 TYR CA C 13 56.384 0.044 . 1 . . . . 15 Y CA . 26691 2 197 . 1 1 18 18 TYR CB C 13 40.904 0.047 . 1 . . . . 15 Y CB . 26691 2 198 . 1 1 18 18 TYR CD1 C 13 133.245 0.040 . 1 . . . . 15 Y CD1 . 26691 2 199 . 1 1 18 18 TYR CE1 C 13 117.499 0.022 . 1 . . . . 15 Y CE1 . 26691 2 200 . 1 1 18 18 TYR N N 15 119.067 0.035 . 1 . . . . 15 Y N . 26691 2 201 . 1 1 19 19 LYS H H 1 8.511 0.003 . 1 . . . . 16 K H . 26691 2 202 . 1 1 19 19 LYS HA H 1 4.544 0.003 . 1 . . . . 16 K HA . 26691 2 203 . 1 1 19 19 LYS HB2 H 1 1.416 0.009 . 2 . . . . 16 K HB . 26691 2 204 . 1 1 19 19 LYS HB3 H 1 1.416 0.009 . 2 . . . . 16 K HB . 26691 2 205 . 1 1 19 19 LYS HG2 H 1 1.089 0.003 . 1 . . . . 16 K HG2 . 26691 2 206 . 1 1 19 19 LYS HG3 H 1 0.958 0.004 . 1 . . . . 16 K HG3 . 26691 2 207 . 1 1 19 19 LYS HD2 H 1 1.44 0.002 . 2 . . . . 16 K HD . 26691 2 208 . 1 1 19 19 LYS HD3 H 1 1.44 0.002 . 2 . . . . 16 K HD . 26691 2 209 . 1 1 19 19 LYS HE2 H 1 2.69 0.009 . 2 . . . . 16 K HE . 26691 2 210 . 1 1 19 19 LYS HE3 H 1 2.69 0.009 . 2 . . . . 16 K HE . 26691 2 211 . 1 1 19 19 LYS C C 13 174.371 0.000 . 1 . . . . 16 K C . 26691 2 212 . 1 1 19 19 LYS CA C 13 55.159 0.225 . 1 . . . . 16 K CA . 26691 2 213 . 1 1 19 19 LYS CB C 13 35.411 0.030 . 1 . . . . 16 K CB . 26691 2 214 . 1 1 19 19 LYS CG C 13 24.671 0.044 . 1 . . . . 16 K CG . 26691 2 215 . 1 1 19 19 LYS CD C 13 29.522 0.047 . 1 . . . . 16 K CD . 26691 2 216 . 1 1 19 19 LYS CE C 13 41.825 0.073 . 1 . . . . 16 K CE . 26691 2 217 . 1 1 19 19 LYS N N 15 120.76 0.022 . 1 . . . . 16 K N . 26691 2 218 . 1 1 20 20 CYS HA H 1 4.451 0.009 . 1 . . . . 17 C HA . 26691 2 219 . 1 1 20 20 CYS HB2 H 1 2.968 0.013 . 2 . . . . 17 C HB . 26691 2 220 . 1 1 20 20 CYS HB3 H 1 2.968 0.013 . 2 . . . . 17 C HB . 26691 2 221 . 1 1 20 20 CYS CA C 13 56.122 0.042 . 1 . . . . 17 C CA . 26691 2 222 . 1 1 20 20 CYS CB C 13 30.334 0.093 . 1 . . . . 17 C CB . 26691 2 223 . 1 1 21 21 PRO HA H 1 4.202 0.002 . 1 . . . . 18 P HA . 26691 2 224 . 1 1 21 21 PRO HB2 H 1 2.217 0.004 . 1 . . . . 18 P HB2 . 26691 2 225 . 1 1 21 21 PRO HB3 H 1 1.736 0.005 . 1 . . . . 18 P HB3 . 26691 2 226 . 1 1 21 21 PRO HG2 H 1 1.969 0.002 . 1 . . . . 18 P HG2 . 26691 2 227 . 1 1 21 21 PRO HG3 H 1 1.859 0.002 . 1 . . . . 18 P HG3 . 26691 2 228 . 1 1 21 21 PRO HD2 H 1 3.938 0.002 . 2 . . . . 18 P HD . 26691 2 229 . 1 1 21 21 PRO HD3 H 1 3.938 0.002 . 2 . . . . 18 P HD . 26691 2 230 . 1 1 21 21 PRO CA C 13 64.071 0.030 . 1 . . . . 18 P CA . 26691 2 231 . 1 1 21 21 PRO CB C 13 32.33 0.030 . 1 . . . . 18 P CB . 26691 2 232 . 1 1 21 21 PRO CG C 13 27.342 0.036 . 1 . . . . 18 P CG . 26691 2 233 . 1 1 21 21 PRO CD C 13 51.155 0.034 . 1 . . . . 18 P CD . 26691 2 234 . 1 1 22 22 ARG HA H 1 4.099 0.002 . 1 . . . . 19 R HA . 26691 2 235 . 1 1 22 22 ARG HB2 H 1 1.482 0.007 . 1 . . . . 19 R HB2 . 26691 2 236 . 1 1 22 22 ARG HB3 H 1 1.387 0.003 . 1 . . . . 19 R HB3 . 26691 2 237 . 1 1 22 22 ARG HG2 H 1 1.383 0.001 . 2 . . . . 19 R HG . 26691 2 238 . 1 1 22 22 ARG HG3 H 1 1.383 0.001 . 2 . . . . 19 R HG . 26691 2 239 . 1 1 22 22 ARG HD2 H 1 3.362 0.004 . 1 . . . . 19 R HD2 . 26691 2 240 . 1 1 22 22 ARG HD3 H 1 3.198 0.007 . 1 . . . . 19 R HD3 . 26691 2 241 . 1 1 22 22 ARG C C 13 175.938 0.000 . 1 . . . . 19 R C . 26691 2 242 . 1 1 22 22 ARG CA C 13 57.497 0.055 . 1 . . . . 19 R CA . 26691 2 243 . 1 1 22 22 ARG CB C 13 31.562 0.031 . 1 . . . . 19 R CB . 26691 2 244 . 1 1 22 22 ARG CG C 13 27.925 0.052 . 1 . . . . 19 R CG . 26691 2 245 . 1 1 22 22 ARG CD C 13 42.858 0.048 . 1 . . . . 19 R CD . 26691 2 246 . 1 1 23 23 CYS H H 1 7.664 0.013 . 1 . . . . 20 C H . 26691 2 247 . 1 1 23 23 CYS HA H 1 4.829 0.002 . 1 . . . . 20 C HA . 26691 2 248 . 1 1 23 23 CYS HB2 H 1 3.141 0.004 . 1 . . . . 20 C HB2 . 26691 2 249 . 1 1 23 23 CYS HB3 H 1 2.661 0.003 . 1 . . . . 20 C HB3 . 26691 2 250 . 1 1 23 23 CYS C C 13 175.54 0.000 . 1 . . . . 20 C C . 26691 2 251 . 1 1 23 23 CYS CA C 13 58.389 0.036 . 1 . . . . 20 C CA . 26691 2 252 . 1 1 23 23 CYS CB C 13 31.862 0.028 . 1 . . . . 20 C CB . 26691 2 253 . 1 1 23 23 CYS N N 15 117.175 0.023 . 1 . . . . 20 C N . 26691 2 254 . 1 1 24 24 LEU H H 1 7.747 0.013 . 1 . . . . 21 L H . 26691 2 255 . 1 1 24 24 LEU HA H 1 3.954 0.002 . 1 . . . . 21 L HA . 26691 2 256 . 1 1 24 24 LEU HB2 H 1 1.969 0.002 . 1 . . . . 21 L HB2 . 26691 2 257 . 1 1 24 24 LEU HB3 H 1 1.406 0.003 . 1 . . . . 21 L HB3 . 26691 2 258 . 1 1 24 24 LEU HG H 1 1.243 0.004 . 1 . . . . 21 L HG . 26691 2 259 . 1 1 24 24 LEU HD11 H 1 0.698 0.004 . 1 . . . . 21 L HD1 . 26691 2 260 . 1 1 24 24 LEU HD12 H 1 0.698 0.004 . 1 . . . . 21 L HD1 . 26691 2 261 . 1 1 24 24 LEU HD13 H 1 0.698 0.004 . 1 . . . . 21 L HD1 . 26691 2 262 . 1 1 24 24 LEU HD21 H 1 0.636 0.003 . 1 . . . . 21 L HD2 . 26691 2 263 . 1 1 24 24 LEU HD22 H 1 0.636 0.003 . 1 . . . . 21 L HD2 . 26691 2 264 . 1 1 24 24 LEU HD23 H 1 0.636 0.003 . 1 . . . . 21 L HD2 . 26691 2 265 . 1 1 24 24 LEU C C 13 176.162 0.000 . 1 . . . . 21 L C . 26691 2 266 . 1 1 24 24 LEU CA C 13 56.897 0.045 . 1 . . . . 21 L CA . 26691 2 267 . 1 1 24 24 LEU CB C 13 38.617 0.041 . 1 . . . . 21 L CB . 26691 2 268 . 1 1 24 24 LEU CG C 13 27.321 0.030 . 1 . . . . 21 L CG . 26691 2 269 . 1 1 24 24 LEU CD1 C 13 24.911 0.062 . 1 . . . . 21 L CD1 . 26691 2 270 . 1 1 24 24 LEU CD2 C 13 22.491 0.031 . 1 . . . . 21 L CD2 . 26691 2 271 . 1 1 24 24 LEU N N 15 117.529 0.011 . 1 . . . . 21 L N . 26691 2 272 . 1 1 25 25 VAL H H 1 8.181 0.004 . 1 . . . . 22 V H . 26691 2 273 . 1 1 25 25 VAL HA H 1 3.559 0.006 . 1 . . . . 22 V HA . 26691 2 274 . 1 1 25 25 VAL HB H 1 1.281 0.000 . 1 . . . . 22 V HB . 26691 2 275 . 1 1 25 25 VAL HG11 H 1 0.214 0.005 . 1 . . . . 22 V HG1 . 26691 2 276 . 1 1 25 25 VAL HG12 H 1 0.214 0.005 . 1 . . . . 22 V HG1 . 26691 2 277 . 1 1 25 25 VAL HG13 H 1 0.214 0.005 . 1 . . . . 22 V HG1 . 26691 2 278 . 1 1 25 25 VAL HG21 H 1 0.86 0.004 . 1 . . . . 22 V HG2 . 26691 2 279 . 1 1 25 25 VAL HG22 H 1 0.86 0.004 . 1 . . . . 22 V HG2 . 26691 2 280 . 1 1 25 25 VAL HG23 H 1 0.86 0.004 . 1 . . . . 22 V HG2 . 26691 2 281 . 1 1 25 25 VAL C C 13 176.162 0.000 . 1 . . . . 22 V C . 26691 2 282 . 1 1 25 25 VAL CA C 13 64.951 0.022 . 1 . . . . 22 V CA . 26691 2 283 . 1 1 25 25 VAL CB C 13 31.422 0.000 . 1 . . . . 22 V CB . 26691 2 284 . 1 1 25 25 VAL CG1 C 13 20.199 0.014 . 1 . . . . 22 V CG1 . 26691 2 285 . 1 1 25 25 VAL CG2 C 13 24.549 0.038 . 1 . . . . 22 V CG2 . 26691 2 286 . 1 1 25 25 VAL N N 15 123.056 0.023 . 1 . . . . 22 V N . 26691 2 287 . 1 1 26 26 GLN H H 1 8.552 0.015 . 1 . . . . 23 Q H . 26691 2 288 . 1 1 26 26 GLN HA H 1 5.077 0.005 . 1 . . . . 23 Q HA . 26691 2 289 . 1 1 26 26 GLN HB2 H 1 1.521 0.005 . 1 . . . . 23 Q HB2 . 26691 2 290 . 1 1 26 26 GLN HB3 H 1 1.373 0.007 . 1 . . . . 23 Q HB3 . 26691 2 291 . 1 1 26 26 GLN HG2 H 1 2.078 0.004 . 1 . . . . 23 Q HG2 . 26691 2 292 . 1 1 26 26 GLN HG3 H 1 1.524 0.003 . 1 . . . . 23 Q HG3 . 26691 2 293 . 1 1 26 26 GLN HE21 H 1 6.279 0.006 . 2 . . . . 23 Q HE21 . 26691 2 294 . 1 1 26 26 GLN C C 13 175.728 0.000 . 1 . . . . 23 Q C . 26691 2 295 . 1 1 26 26 GLN CA C 13 53.799 0.049 . 1 . . . . 23 Q CA . 26691 2 296 . 1 1 26 26 GLN CB C 13 29.458 0.084 . 1 . . . . 23 Q CB . 26691 2 297 . 1 1 26 26 GLN CG C 13 34.181 0.059 . 1 . . . . 23 Q CG . 26691 2 298 . 1 1 26 26 GLN N N 15 128.847 0.000 . 1 . . . . 23 Q N . 26691 2 299 . 1 1 26 26 GLN NE2 N 15 109.423 0.013 . 1 . . . . 23 Q NE2 . 26691 2 300 . 1 1 27 27 THR H H 1 9.081 0.007 . 1 . . . . 24 T H . 26691 2 301 . 1 1 27 27 THR HA H 1 6.479 0.006 . 1 . . . . 24 T HA . 26691 2 302 . 1 1 27 27 THR HB H 1 4.175 0.003 . 1 . . . . 24 T HB . 26691 2 303 . 1 1 27 27 THR HG21 H 1 0.868 0.002 . 1 . . . . 24 T HG2 . 26691 2 304 . 1 1 27 27 THR HG22 H 1 0.868 0.002 . 1 . . . . 24 T HG2 . 26691 2 305 . 1 1 27 27 THR HG23 H 1 0.868 0.002 . 1 . . . . 24 T HG2 . 26691 2 306 . 1 1 27 27 THR C C 13 177.161 0.000 . 1 . . . . 24 T C . 26691 2 307 . 1 1 27 27 THR CA C 13 59.234 0.070 . 1 . . . . 24 T CA . 26691 2 308 . 1 1 27 27 THR CB C 13 73.994 0.023 . 1 . . . . 24 T CB . 26691 2 309 . 1 1 27 27 THR CG2 C 13 22.541 0.045 . 1 . . . . 24 T CG2 . 26691 2 310 . 1 1 27 27 THR N N 15 111.847 0.025 . 1 . . . . 24 T N . 26691 2 311 . 1 1 28 28 CYS H H 1 9.336 0.004 . 1 . . . . 25 C H . 26691 2 312 . 1 1 28 28 CYS HB2 H 1 3.049 0.010 . 1 . . . . 25 C HB2 . 26691 2 313 . 1 1 28 28 CYS HB3 H 1 2.514 0.006 . 1 . . . . 25 C HB3 . 26691 2 314 . 1 1 28 28 CYS C C 13 174.594 0.000 . 1 . . . . 25 C C . 26691 2 315 . 1 1 28 28 CYS CA C 13 59.599 0.011 . 1 . . . . 25 C CA . 26691 2 316 . 1 1 28 28 CYS CB C 13 35.046 0.042 . 1 . . . . 25 C CB . 26691 2 317 . 1 1 28 28 CYS N N 15 121.048 0.024 . 1 . . . . 25 C N . 26691 2 318 . 1 1 29 29 SER H H 1 7.273 0.005 . 1 . . . . 26 S H . 26691 2 319 . 1 1 29 29 SER HA H 1 4.896 0.005 . 1 . . . . 26 S HA . 26691 2 320 . 1 1 29 29 SER HB2 H 1 4.25 0.005 . 1 . . . . 26 S HB2 . 26691 2 321 . 1 1 29 29 SER HB3 H 1 4.16 0.005 . 1 . . . . 26 S HB3 . 26691 2 322 . 1 1 29 29 SER C C 13 174.594 0.000 . 1 . . . . 26 S C . 26691 2 323 . 1 1 29 29 SER CA C 13 57.248 0.047 . 1 . . . . 26 S CA . 26691 2 324 . 1 1 29 29 SER CB C 13 64.667 0.040 . 1 . . . . 26 S CB . 26691 2 325 . 1 1 29 29 SER N N 15 111.101 0.032 . 1 . . . . 26 S N . 26691 2 326 . 1 1 30 30 LEU HA H 1 3.859 0.004 . 1 . . . . 27 L HA . 26691 2 327 . 1 1 30 30 LEU HB2 H 1 1.606 0.006 . 1 . . . . 27 L HB2 . 26691 2 328 . 1 1 30 30 LEU HB3 H 1 1.42 0.004 . 1 . . . . 27 L HB3 . 26691 2 329 . 1 1 30 30 LEU HG H 1 1.491 0.007 . 1 . . . . 27 L HG . 26691 2 330 . 1 1 30 30 LEU HD11 H 1 0.761 0.004 . 1 . . . . 27 L HD1 . 26691 2 331 . 1 1 30 30 LEU HD12 H 1 0.761 0.004 . 1 . . . . 27 L HD1 . 26691 2 332 . 1 1 30 30 LEU HD13 H 1 0.761 0.004 . 1 . . . . 27 L HD1 . 26691 2 333 . 1 1 30 30 LEU HD21 H 1 0.541 0.003 . 1 . . . . 27 L HD2 . 26691 2 334 . 1 1 30 30 LEU HD22 H 1 0.541 0.003 . 1 . . . . 27 L HD2 . 26691 2 335 . 1 1 30 30 LEU HD23 H 1 0.541 0.003 . 1 . . . . 27 L HD2 . 26691 2 336 . 1 1 30 30 LEU C C 13 179.455 0.000 . 1 . . . . 27 L C . 26691 2 337 . 1 1 30 30 LEU CA C 13 57.589 0.050 . 1 . . . . 27 L CA . 26691 2 338 . 1 1 30 30 LEU CB C 13 40.768 0.034 . 1 . . . . 27 L CB . 26691 2 339 . 1 1 30 30 LEU CG C 13 25.656 0.032 . 1 . . . . 27 L CG . 26691 2 340 . 1 1 30 30 LEU CD1 C 13 24.287 0.050 . 1 . . . . 27 L CD1 . 26691 2 341 . 1 1 30 30 LEU CD2 C 13 23.064 0.026 . 1 . . . . 27 L CD2 . 26691 2 342 . 1 1 31 31 GLU H H 1 8.787 0.004 . 1 . . . . 28 E H . 26691 2 343 . 1 1 31 31 GLU HA H 1 3.889 0.005 . 1 . . . . 28 E HA . 26691 2 344 . 1 1 31 31 GLU HB2 H 1 2.074 0.002 . 1 . . . . 28 E HB2 . 26691 2 345 . 1 1 31 31 GLU HB3 H 1 1.843 0.006 . 1 . . . . 28 E HB3 . 26691 2 346 . 1 1 31 31 GLU HG2 H 1 2.306 0.006 . 1 . . . . 28 E HG2 . 26691 2 347 . 1 1 31 31 GLU HG3 H 1 2.133 0.006 . 1 . . . . 28 E HG3 . 26691 2 348 . 1 1 31 31 GLU C C 13 179.776 0.000 . 1 . . . . 28 E C . 26691 2 349 . 1 1 31 31 GLU CA C 13 60.705 0.036 . 1 . . . . 28 E CA . 26691 2 350 . 1 1 31 31 GLU CB C 13 28.723 0.056 . 1 . . . . 28 E CB . 26691 2 351 . 1 1 31 31 GLU CG C 13 36.713 0.017 . 1 . . . . 28 E CG . 26691 2 352 . 1 1 31 31 GLU N N 15 119.644 0.017 . 1 . . . . 28 E N . 26691 2 353 . 1 1 32 32 CYS H H 1 7.989 0.006 . 1 . . . . 29 C H . 26691 2 354 . 1 1 32 32 CYS HA H 1 4.092 0.005 . 1 . . . . 29 C HA . 26691 2 355 . 1 1 32 32 CYS HB2 H 1 2.865 0.006 . 1 . . . . 29 C HB2 . 26691 2 356 . 1 1 32 32 CYS HB3 H 1 2.703 0.004 . 1 . . . . 29 C HB3 . 26691 2 357 . 1 1 32 32 CYS C C 13 177.957 0.000 . 1 . . . . 29 C C . 26691 2 358 . 1 1 32 32 CYS CA C 13 65.858 0.087 . 1 . . . . 29 C CA . 26691 2 359 . 1 1 32 32 CYS CB C 13 30.795 0.036 . 1 . . . . 29 C CB . 26691 2 360 . 1 1 32 32 CYS N N 15 120.437 0.015 . 1 . . . . 29 C N . 26691 2 361 . 1 1 33 33 SER H H 1 8.584 0.006 . 1 . . . . 30 S H . 26691 2 362 . 1 1 33 33 SER C C 13 177.957 0.000 . 1 . . . . 30 S C . 26691 2 363 . 1 1 33 33 SER CA C 13 63.027 0.000 . 1 . . . . 30 S CA . 26691 2 364 . 1 1 33 33 SER N N 15 117.103 0.036 . 1 . . . . 30 S N . 26691 2 365 . 1 1 34 34 LYS H H 1 8.438 0.000 . 1 . . . . 31 K H . 26691 2 366 . 1 1 34 34 LYS HA H 1 3.828 0.004 . 1 . . . . 31 K HA . 26691 2 367 . 1 1 34 34 LYS HB2 H 1 1.824 0.007 . 2 . . . . 31 K HB . 26691 2 368 . 1 1 34 34 LYS HB3 H 1 1.824 0.007 . 2 . . . . 31 K HB . 26691 2 369 . 1 1 34 34 LYS HG2 H 1 1.454 0.007 . 1 . . . . 31 K HG2 . 26691 2 370 . 1 1 34 34 LYS HG3 H 1 1.286 0.007 . 1 . . . . 31 K HG3 . 26691 2 371 . 1 1 34 34 LYS HD2 H 1 1.529 0.004 . 2 . . . . 31 K HD . 26691 2 372 . 1 1 34 34 LYS HD3 H 1 1.529 0.004 . 2 . . . . 31 K HD . 26691 2 373 . 1 1 34 34 LYS C C 13 179.196 0.000 . 1 . . . . 31 K C . 26691 2 374 . 1 1 34 34 LYS CA C 13 60.182 0.023 . 1 . . . . 31 K CA . 26691 2 375 . 1 1 34 34 LYS CB C 13 32.093 0.033 . 1 . . . . 31 K CB . 26691 2 376 . 1 1 34 34 LYS CG C 13 25.386 0.046 . 1 . . . . 31 K CG . 26691 2 377 . 1 1 34 34 LYS CD C 13 29.558 0.035 . 1 . . . . 31 K CD . 26691 2 378 . 1 1 34 34 LYS N N 15 122.212 0.000 . 1 . . . . 31 K N . 26691 2 379 . 1 1 35 35 LYS H H 1 7.795 0.006 . 1 . . . . 32 K H . 26691 2 380 . 1 1 35 35 LYS HA H 1 3.991 0.003 . 1 . . . . 32 K HA . 26691 2 381 . 1 1 35 35 LYS HB2 H 1 1.866 0.001 . 1 . . . . 32 K HB2 . 26691 2 382 . 1 1 35 35 LYS HB3 H 1 1.789 0.008 . 1 . . . . 32 K HB3 . 26691 2 383 . 1 1 35 35 LYS HG2 H 1 1.458 0.004 . 1 . . . . 32 K HG2 . 26691 2 384 . 1 1 35 35 LYS HG3 H 1 1.287 0.005 . 1 . . . . 32 K HG3 . 26691 2 385 . 1 1 35 35 LYS HD2 H 1 1.52 0.005 . 2 . . . . 32 K HD . 26691 2 386 . 1 1 35 35 LYS HD3 H 1 1.52 0.005 . 2 . . . . 32 K HD . 26691 2 387 . 1 1 35 35 LYS HE2 H 1 2.782 0.004 . 2 . . . . 32 K HE . 26691 2 388 . 1 1 35 35 LYS HE3 H 1 2.782 0.004 . 2 . . . . 32 K HE . 26691 2 389 . 1 1 35 35 LYS C C 13 178.693 0.000 . 1 . . . . 32 K C . 26691 2 390 . 1 1 35 35 LYS CA C 13 59.083 0.029 . 1 . . . . 32 K CA . 26691 2 391 . 1 1 35 35 LYS CB C 13 32.41 0.056 . 1 . . . . 32 K CB . 26691 2 392 . 1 1 35 35 LYS CG C 13 25.583 0.030 . 1 . . . . 32 K CG . 26691 2 393 . 1 1 35 35 LYS CD C 13 29.219 0.029 . 1 . . . . 32 K CD . 26691 2 394 . 1 1 35 35 LYS CE C 13 41.991 0.044 . 1 . . . . 32 K CE . 26691 2 395 . 1 1 35 35 LYS N N 15 119.721 0.012 . 1 . . . . 32 K N . 26691 2 396 . 1 1 36 36 HIS H H 1 8.319 0.005 . 1 . . . . 33 H H . 26691 2 397 . 1 1 36 36 HIS HA H 1 4.135 0.009 . 1 . . . . 33 H HA . 26691 2 398 . 1 1 36 36 HIS HB2 H 1 3.029 0.003 . 2 . . . . 33 H HB . 26691 2 399 . 1 1 36 36 HIS HB3 H 1 3.029 0.003 . 2 . . . . 33 H HB . 26691 2 400 . 1 1 36 36 HIS HD2 H 1 7.042 0.000 . 1 . . . . 33 H HD2 . 26691 2 401 . 1 1 36 36 HIS HE1 H 1 7.892 0.000 . 1 . . . . 33 H HE1 . 26691 2 402 . 1 1 36 36 HIS C C 13 178.693 0.000 . 1 . . . . 33 H C . 26691 2 403 . 1 1 36 36 HIS CA C 13 58.307 0.046 . 1 . . . . 33 H CA . 26691 2 404 . 1 1 36 36 HIS CB C 13 27.045 0.000 . 1 . . . . 33 H CB . 26691 2 405 . 1 1 36 36 HIS CD2 C 13 120.507 0.000 . 1 . . . . 33 H CD2 . 26691 2 406 . 1 1 36 36 HIS CE1 C 13 140.881 0.000 . 1 . . . . 33 H CE1 . 26691 2 407 . 1 1 36 36 HIS N N 15 118.702 0.027 . 1 . . . . 33 H N . 26691 2 408 . 1 1 36 36 HIS ND1 N 15 192.608 0.000 . 1 . . . . 33 H ND1 . 26691 2 409 . 1 1 36 36 HIS NE2 N 15 180.044 0.000 . 1 . . . . 33 H NE2 . 26691 2 410 . 1 1 37 37 LYS HA H 1 3.442 0.004 . 1 . . . . 34 K HA . 26691 2 411 . 1 1 37 37 LYS HB2 H 1 1.743 0.007 . 2 . . . . 34 K HB . 26691 2 412 . 1 1 37 37 LYS HB3 H 1 1.743 0.007 . 2 . . . . 34 K HB . 26691 2 413 . 1 1 37 37 LYS HG2 H 1 1.499 0.006 . 2 . . . . 34 K HG . 26691 2 414 . 1 1 37 37 LYS HG3 H 1 1.499 0.006 . 2 . . . . 34 K HG . 26691 2 415 . 1 1 37 37 LYS HD2 H 1 1.512 0.006 . 2 . . . . 34 K HD . 26691 2 416 . 1 1 37 37 LYS HD3 H 1 1.512 0.006 . 2 . . . . 34 K HD . 26691 2 417 . 1 1 37 37 LYS HE2 H 1 2.777 0.007 . 2 . . . . 34 K HE . 26691 2 418 . 1 1 37 37 LYS HE3 H 1 2.777 0.007 . 2 . . . . 34 K HE . 26691 2 419 . 1 1 37 37 LYS CA C 13 60.14 0.039 . 1 . . . . 34 K CA . 26691 2 420 . 1 1 37 37 LYS CB C 13 32.026 0.001 . 1 . . . . 34 K CB . 26691 2 421 . 1 1 37 37 LYS CG C 13 25.567 0.029 . 1 . . . . 34 K CG . 26691 2 422 . 1 1 37 37 LYS CD C 13 29.624 0.015 . 1 . . . . 34 K CD . 26691 2 423 . 1 1 37 37 LYS CE C 13 41.894 0.028 . 1 . . . . 34 K CE . 26691 2 424 . 1 1 38 38 THR HA H 1 3.936 0.002 . 1 . . . . 35 T HA . 26691 2 425 . 1 1 38 38 THR HB H 1 4.006 0.005 . 1 . . . . 35 T HB . 26691 2 426 . 1 1 38 38 THR HG21 H 1 1.099 0.003 . 1 . . . . 35 T HG2 . 26691 2 427 . 1 1 38 38 THR HG22 H 1 1.099 0.003 . 1 . . . . 35 T HG2 . 26691 2 428 . 1 1 38 38 THR HG23 H 1 1.099 0.003 . 1 . . . . 35 T HG2 . 26691 2 429 . 1 1 38 38 THR CA C 13 64.19 0.032 . 1 . . . . 35 T CA . 26691 2 430 . 1 1 38 38 THR CB C 13 68.885 0.011 . 1 . . . . 35 T CB . 26691 2 431 . 1 1 38 38 THR CG2 C 13 21.867 0.035 . 1 . . . . 35 T CG2 . 26691 2 432 . 1 1 39 39 ARG HA H 1 3.865 0.003 . 1 . . . . 36 R HA . 26691 2 433 . 1 1 39 39 ARG HB2 H 1 1.702 0.002 . 2 . . . . 36 R HB . 26691 2 434 . 1 1 39 39 ARG HB3 H 1 1.702 0.002 . 2 . . . . 36 R HB . 26691 2 435 . 1 1 39 39 ARG HG2 H 1 1.677 0.003 . 1 . . . . 36 R HG2 . 26691 2 436 . 1 1 39 39 ARG HG3 H 1 1.492 0.004 . 1 . . . . 36 R HG3 . 26691 2 437 . 1 1 39 39 ARG HD2 H 1 3.175 0.003 . 1 . . . . 36 R HD2 . 26691 2 438 . 1 1 39 39 ARG HD3 H 1 2.829 0.004 . 1 . . . . 36 R HD3 . 26691 2 439 . 1 1 39 39 ARG C C 13 177.589 0.000 . 1 . . . . 36 R C . 26691 2 440 . 1 1 39 39 ARG CA C 13 58.985 0.059 . 1 . . . . 36 R CA . 26691 2 441 . 1 1 39 39 ARG CB C 13 31.269 0.010 . 1 . . . . 36 R CB . 26691 2 442 . 1 1 39 39 ARG CG C 13 25.71 0.047 . 1 . . . . 36 R CG . 26691 2 443 . 1 1 39 39 ARG CD C 13 43.654 0.081 . 1 . . . . 36 R CD . 26691 2 444 . 1 1 40 40 ASP H H 1 7.899 0.006 . 1 . . . . 37 D H . 26691 2 445 . 1 1 40 40 ASP C C 13 175.634 0.000 . 1 . . . . 37 D C . 26691 2 446 . 1 1 40 40 ASP CA C 13 53.842 0.000 . 1 . . . . 37 D CA . 26691 2 447 . 1 1 40 40 ASP CB C 13 40.092 0.000 . 1 . . . . 37 D CB . 26691 2 448 . 1 1 40 40 ASP N N 15 113.562 0.022 . 1 . . . . 37 D N . 26691 2 449 . 1 1 41 41 ASN H H 1 7.323 0.008 . 1 . . . . 38 N H . 26691 2 450 . 1 1 41 41 ASN HA H 1 4.164 0.004 . 1 . . . . 38 N HA . 26691 2 451 . 1 1 41 41 ASN HB2 H 1 2.93 0.008 . 1 . . . . 38 N HB2 . 26691 2 452 . 1 1 41 41 ASN HB3 H 1 2.509 0.007 . 1 . . . . 38 N HB3 . 26691 2 453 . 1 1 41 41 ASN HD21 H 1 7.415 0.006 . 1 . . . . 38 N HD21 . 26691 2 454 . 1 1 41 41 ASN HD22 H 1 6.646 0.006 . 1 . . . . 38 N HD22 . 26691 2 455 . 1 1 41 41 ASN C C 13 175.634 0.000 . 1 . . . . 38 N C . 26691 2 456 . 1 1 41 41 ASN CA C 13 53.859 0.036 . 1 . . . . 38 N CA . 26691 2 457 . 1 1 41 41 ASN CB C 13 36.826 0.035 . 1 . . . . 38 N CB . 26691 2 458 . 1 1 41 41 ASN N N 15 118.226 0.032 . 1 . . . . 38 N N . 26691 2 459 . 1 1 41 41 ASN ND2 N 15 112.228 0.022 . 1 . . . . 38 N ND2 . 26691 2 460 . 1 1 42 42 CYS H H 1 7.787 0.000 . 1 . . . . 39 C H . 26691 2 461 . 1 1 42 42 CYS HA H 1 4.389 0.004 . 1 . . . . 39 C HA . 26691 2 462 . 1 1 42 42 CYS HB2 H 1 2.314 0.013 . 1 . . . . 39 C HB2 . 26691 2 463 . 1 1 42 42 CYS HB3 H 1 2.086 0.011 . 1 . . . . 39 C HB3 . 26691 2 464 . 1 1 42 42 CYS C C 13 175.496 0.000 . 1 . . . . 39 C C . 26691 2 465 . 1 1 42 42 CYS CA C 13 57.896 0.066 . 1 . . . . 39 C CA . 26691 2 466 . 1 1 42 42 CYS CB C 13 30.839 0.048 . 1 . . . . 39 C CB . 26691 2 467 . 1 1 42 42 CYS N N 15 119.731 0.000 . 1 . . . . 39 C N . 26691 2 468 . 1 1 43 43 SER H H 1 8.471 0.004 . 1 . . . . 40 S H . 26691 2 469 . 1 1 43 43 SER HA H 1 4.128 0.003 . 1 . . . . 40 S HA . 26691 2 470 . 1 1 43 43 SER HB2 H 1 3.834 0.002 . 1 . . . . 40 S HB2 . 26691 2 471 . 1 1 43 43 SER HB3 H 1 3.748 0.004 . 1 . . . . 40 S HB3 . 26691 2 472 . 1 1 43 43 SER C C 13 175.496 0.000 . 1 . . . . 40 S C . 26691 2 473 . 1 1 43 43 SER CA C 13 58.958 0.057 . 1 . . . . 40 S CA . 26691 2 474 . 1 1 43 43 SER CB C 13 63.84 0.025 . 1 . . . . 40 S CB . 26691 2 475 . 1 1 43 43 SER N N 15 122.215 0.009 . 1 . . . . 40 S N . 26691 2 476 . 1 1 44 44 GLY HA2 H 1 3.972 0.003 . 1 . . . . 41 G HA2 . 26691 2 477 . 1 1 44 44 GLY HA3 H 1 3.808 0.005 . 1 . . . . 41 G HA3 . 26691 2 478 . 1 1 44 44 GLY C C 13 172.713 0.000 . 1 . . . . 41 G C . 26691 2 479 . 1 1 44 44 GLY CA C 13 45.664 0.016 . 1 . . . . 41 G CA . 26691 2 480 . 1 1 45 45 GLN H H 1 7.863 0.004 . 1 . . . . 42 Q H . 26691 2 481 . 1 1 45 45 GLN HB2 H 1 2.132 0.003 . 2 . . . . 42 Q HB . 26691 2 482 . 1 1 45 45 GLN HB3 H 1 2.132 0.003 . 2 . . . . 42 Q HB . 26691 2 483 . 1 1 45 45 GLN HE21 H 1 7.333 0.005 . 1 . . . . 42 Q HE21 . 26691 2 484 . 1 1 45 45 GLN HE22 H 1 6.721 0.006 . 1 . . . . 42 Q HE22 . 26691 2 485 . 1 1 45 45 GLN C C 13 175.504 0.000 . 1 . . . . 42 Q C . 26691 2 486 . 1 1 45 45 GLN CA C 13 54.674 0.006 . 1 . . . . 42 Q CA . 26691 2 487 . 1 1 45 45 GLN CB C 13 30.416 0.000 . 1 . . . . 42 Q CB . 26691 2 488 . 1 1 45 45 GLN N N 15 118.29 0.029 . 1 . . . . 42 Q N . 26691 2 489 . 1 1 45 45 GLN NE2 N 15 112.191 0.035 . 1 . . . . 42 Q NE2 . 26691 2 490 . 1 1 46 46 THR H H 1 8.324 0.002 . 1 . . . . 43 T H . 26691 2 491 . 1 1 46 46 THR HA H 1 4.027 0.016 . 1 . . . . 43 T HA . 26691 2 492 . 1 1 46 46 THR HB H 1 4.057 0.002 . 1 . . . . 43 T HB . 26691 2 493 . 1 1 46 46 THR HG21 H 1 0.976 0.005 . 1 . . . . 43 T HG2 . 26691 2 494 . 1 1 46 46 THR HG22 H 1 0.976 0.005 . 1 . . . . 43 T HG2 . 26691 2 495 . 1 1 46 46 THR HG23 H 1 0.976 0.005 . 1 . . . . 43 T HG2 . 26691 2 496 . 1 1 46 46 THR C C 13 173.951 0.000 . 1 . . . . 43 T C . 26691 2 497 . 1 1 46 46 THR CA C 13 62.111 0.025 . 1 . . . . 43 T CA . 26691 2 498 . 1 1 46 46 THR CB C 13 69.254 0.045 . 1 . . . . 43 T CB . 26691 2 499 . 1 1 46 46 THR CG2 C 13 21.701 0.045 . 1 . . . . 43 T CG2 . 26691 2 500 . 1 1 46 46 THR N N 15 114.477 0.017 . 1 . . . . 43 T N . 26691 2 501 . 1 1 47 47 HIS H H 1 7.933 0.002 . 1 . . . . 44 H H . 26691 2 502 . 1 1 47 47 HIS HA H 1 4.222 0.012 . 1 . . . . 44 H HA . 26691 2 503 . 1 1 47 47 HIS HB2 H 1 1.874 0.005 . 1 . . . . 44 H HB2 . 26691 2 504 . 1 1 47 47 HIS HB3 H 1 1.803 0.001 . 1 . . . . 44 H HB3 . 26691 2 505 . 1 1 47 47 HIS C C 13 173.525 0.000 . 1 . . . . 44 H C . 26691 2 506 . 1 1 47 47 HIS CA C 13 55.405 0.094 . 1 . . . . 44 H CA . 26691 2 507 . 1 1 47 47 HIS CB C 13 30.142 0.000 . 1 . . . . 44 H CB . 26691 2 508 . 1 1 47 47 HIS N N 15 119.454 0.007 . 1 . . . . 44 H N . 26691 2 509 . 1 1 48 48 ASP H H 1 8.127 0.005 . 1 . . . . 45 D H . 26691 2 510 . 1 1 48 48 ASP HA H 1 4.525 0.000 . 1 . . . . 45 D HA . 26691 2 511 . 1 1 48 48 ASP C C 13 173.525 0.000 . 1 . . . . 45 D C . 26691 2 512 . 1 1 48 48 ASP CA C 13 55.873 0.000 . 1 . . . . 45 D CA . 26691 2 513 . 1 1 48 48 ASP N N 15 127.048 0.023 . 1 . . . . 45 D N . 26691 2 stop_ save_