data_26807 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26807 _Entry.Title ; The DNA-binding domain of the human Egr-1 in the free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-25 _Entry.Accession_date 2016-05-25 _Entry.Last_release_date 2016-06-29 _Entry.Original_release_date 2016-06-29 _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 Junji Iwahara . . . . 26807 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26807 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 26807 '15N chemical shifts' 110 26807 '1H chemical shifts' 549 26807 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 . . 2016-10-26 2016-05-25 update BMRB 'update entry citation' 26807 1 . . 2016-06-29 2016-05-25 original author 'original release' 26807 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26808 'DNA-binding domain of the human Egr-1 - DNA complex' 26807 stop_ save_ ############### # Citations # ############### save_Manuscript_1 _Citation.Sf_category citations _Citation.Sf_framecode Manuscript_1 _Citation.Entry_ID 26807 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27288446 _Citation.Full_citation . _Citation.Title ; Changes in conformational dynamics of basic side chains upon protein-DNA association ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 14 _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 6961 _Citation.Page_last 6970 _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 Alexandre Esadze . . . . 26807 1 2 Chuanying Chen . . . . 26807 1 3 Levani Zandarashvili . . . . 26807 1 4 Sourav Roy . . . . 26807 1 5 'B. Montgomery' Pettitt . . . . 26807 1 6 Junji Iwahara . . . . 26807 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26807 _Assembly.ID 1 _Assembly.Name 'The Egr-1 zinc-finger protein' _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 'The DNA-binding domain of the human Egr-1 protein' 1 $The_Egr-1_zinc-finger_protein A . yes native no no . . . 26807 1 2 'Zinc ion 1' 2 $entity_ZN B . no na no no . . . 26807 1 3 'Zinc ion 2' 2 $entity_ZN C . no na no no . . . 26807 1 4 'Zinc ion 3' 2 $entity_ZN D . no na no no . . . 26807 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_The_Egr-1_zinc-finger_protein _Entity.Sf_category entity _Entity.Sf_framecode The_Egr-1_zinc-finger_protein _Entity.Entry_ID 26807 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name The_Egr-1_zinc-finger_protein _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 ; PERPYACPVESCDRRFSRSD ELTRHIRIHTGQKPFQCRIC MRNFSRSDHLTTHIRTHTGE KPFACDICGRKFARSDERKR HTKIHLRQKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . PRO . 26807 1 2 . GLU . 26807 1 3 . ARG . 26807 1 4 . PRO . 26807 1 5 . TYR . 26807 1 6 . ALA . 26807 1 7 . CYS . 26807 1 8 . PRO . 26807 1 9 . VAL . 26807 1 10 . GLU . 26807 1 11 . SER . 26807 1 12 . CYS . 26807 1 13 . ASP . 26807 1 14 . ARG . 26807 1 15 . ARG . 26807 1 16 . PHE . 26807 1 17 . SER . 26807 1 18 . ARG . 26807 1 19 . SER . 26807 1 20 . ASP . 26807 1 21 . GLU . 26807 1 22 . LEU . 26807 1 23 . THR . 26807 1 24 . ARG . 26807 1 25 . HIS . 26807 1 26 . ILE . 26807 1 27 . ARG . 26807 1 28 . ILE . 26807 1 29 . HIS . 26807 1 30 . THR . 26807 1 31 . GLY . 26807 1 32 . GLN . 26807 1 33 . LYS . 26807 1 34 . PRO . 26807 1 35 . PHE . 26807 1 36 . GLN . 26807 1 37 . CYS . 26807 1 38 . ARG . 26807 1 39 . ILE . 26807 1 40 . CYS . 26807 1 41 . MET . 26807 1 42 . ARG . 26807 1 43 . ASN . 26807 1 44 . PHE . 26807 1 45 . SER . 26807 1 46 . ARG . 26807 1 47 . SER . 26807 1 48 . ASP . 26807 1 49 . HIS . 26807 1 50 . LEU . 26807 1 51 . THR . 26807 1 52 . THR . 26807 1 53 . HIS . 26807 1 54 . ILE . 26807 1 55 . ARG . 26807 1 56 . THR . 26807 1 57 . HIS . 26807 1 58 . THR . 26807 1 59 . GLY . 26807 1 60 . GLU . 26807 1 61 . LYS . 26807 1 62 . PRO . 26807 1 63 . PHE . 26807 1 64 . ALA . 26807 1 65 . CYS . 26807 1 66 . ASP . 26807 1 67 . ILE . 26807 1 68 . CYS . 26807 1 69 . GLY . 26807 1 70 . ARG . 26807 1 71 . LYS . 26807 1 72 . PHE . 26807 1 73 . ALA . 26807 1 74 . ARG . 26807 1 75 . SER . 26807 1 76 . ASP . 26807 1 77 . GLU . 26807 1 78 . ARG . 26807 1 79 . LYS . 26807 1 80 . ARG . 26807 1 81 . HIS . 26807 1 82 . THR . 26807 1 83 . LYS . 26807 1 84 . ILE . 26807 1 85 . HIS . 26807 1 86 . LEU . 26807 1 87 . ARG . 26807 1 88 . GLN . 26807 1 89 . LYS . 26807 1 90 . ASP . 26807 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 . PRO 1 1 26807 1 . GLU 2 2 26807 1 . ARG 3 3 26807 1 . PRO 4 4 26807 1 . TYR 5 5 26807 1 . ALA 6 6 26807 1 . CYS 7 7 26807 1 . PRO 8 8 26807 1 . VAL 9 9 26807 1 . GLU 10 10 26807 1 . SER 11 11 26807 1 . CYS 12 12 26807 1 . ASP 13 13 26807 1 . ARG 14 14 26807 1 . ARG 15 15 26807 1 . PHE 16 16 26807 1 . SER 17 17 26807 1 . ARG 18 18 26807 1 . SER 19 19 26807 1 . ASP 20 20 26807 1 . GLU 21 21 26807 1 . LEU 22 22 26807 1 . THR 23 23 26807 1 . ARG 24 24 26807 1 . HIS 25 25 26807 1 . ILE 26 26 26807 1 . ARG 27 27 26807 1 . ILE 28 28 26807 1 . HIS 29 29 26807 1 . THR 30 30 26807 1 . GLY 31 31 26807 1 . GLN 32 32 26807 1 . LYS 33 33 26807 1 . PRO 34 34 26807 1 . PHE 35 35 26807 1 . GLN 36 36 26807 1 . CYS 37 37 26807 1 . ARG 38 38 26807 1 . ILE 39 39 26807 1 . CYS 40 40 26807 1 . MET 41 41 26807 1 . ARG 42 42 26807 1 . ASN 43 43 26807 1 . PHE 44 44 26807 1 . SER 45 45 26807 1 . ARG 46 46 26807 1 . SER 47 47 26807 1 . ASP 48 48 26807 1 . HIS 49 49 26807 1 . LEU 50 50 26807 1 . THR 51 51 26807 1 . THR 52 52 26807 1 . HIS 53 53 26807 1 . ILE 54 54 26807 1 . ARG 55 55 26807 1 . THR 56 56 26807 1 . HIS 57 57 26807 1 . THR 58 58 26807 1 . GLY 59 59 26807 1 . GLU 60 60 26807 1 . LYS 61 61 26807 1 . PRO 62 62 26807 1 . PHE 63 63 26807 1 . ALA 64 64 26807 1 . CYS 65 65 26807 1 . ASP 66 66 26807 1 . ILE 67 67 26807 1 . CYS 68 68 26807 1 . GLY 69 69 26807 1 . ARG 70 70 26807 1 . LYS 71 71 26807 1 . PHE 72 72 26807 1 . ALA 73 73 26807 1 . ARG 74 74 26807 1 . SER 75 75 26807 1 . ASP 76 76 26807 1 . GLU 77 77 26807 1 . ARG 78 78 26807 1 . LYS 79 79 26807 1 . ARG 80 80 26807 1 . HIS 81 81 26807 1 . THR 82 82 26807 1 . LYS 83 83 26807 1 . ILE 84 84 26807 1 . HIS 85 85 26807 1 . LEU 86 86 26807 1 . ARG 87 87 26807 1 . GLN 88 88 26807 1 . LYS 89 89 26807 1 . ASP 90 90 26807 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 26807 _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 26807 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 26807 2 ZN 'Three letter code' 26807 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 26807 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 26807 _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 $The_Egr-1_zinc-finger_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . EGR1 . 26807 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 26807 _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 $The_Egr-1_zinc-finger_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET49b . . . 26807 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 26807 _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 26807 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 26807 ZN [Zn++] SMILES CACTVS 3.341 26807 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 26807 ZN [Zn+2] SMILES ACDLabs 10.04 26807 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 26807 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26807 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 26807 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26807 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 . 26807 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26807 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O (D2O separated in co-axial tube)' _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 'The DNA-binding domain of the human Egr-1 protein' '[U-99% 13C; U-99% 15N]' . . 1 $The_Egr-1_zinc-finger_protein . . 1 . . mM . . . . 26807 1 2 'Zinc ion 1' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 26807 1 3 'Zinc ion 1' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 26807 1 4 'Zinc ion 3' 'natural abundance' . . 2 $entity_ZN . . 1 . . mM . . . . 26807 1 5 'potassium succinate' '[U-99% 2H]' . . . . . . 20 . . mM . . . . 26807 1 6 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 26807 1 7 'Zinc chloride' 'natural abundance' . . . . . . 0.1 . . mM . . . . 26807 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 26807 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.040 . M 26807 1 pH 5.8 . pH 26807 1 pressure 1 . atm 26807 1 temperature 298.15 . K 26807 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26807 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26807 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26807 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26807 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26807 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26807 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26807 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26807 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 26807 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 26807 _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 . 800 . . . 26807 1 2 spectrometer_2 Bruker Avance . 600 . . . 26807 1 3 spectrometer_3 Bruker Avance . 750 . . . 26807 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 26807 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 13 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 14 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 1 15 '2D (H2C)N(CC)H-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26807 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 26807 _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 . . . . . 26807 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26807 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26807 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 26807 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26807 1 2 '2D 1H-13C HSQC' . . . 26807 1 3 '3D HNCO' . . . 26807 1 4 '3D HN(CA)CO' . . . 26807 1 5 '3D HNCA' . . . 26807 1 6 '3D HN(CO)CA' . . . 26807 1 7 '3D CBCA(CO)NH' . . . 26807 1 8 '3D HNCACB' . . . 26807 1 9 '3D 1H-15N NOESY' . . . 26807 1 10 '3D HBHA(CO)NH' . . . 26807 1 11 '3D C(CO)NH' . . . 26807 1 12 '3D HCCH-TOCSY' . . . 26807 1 13 '3D HCCH-COSY' . . . 26807 1 14 '3D H(CCO)NH' . . . 26807 1 15 '2D (H2C)N(CC)H-TOCSY' . . . 26807 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 PRO HA H 1 4.461 0.02 . 1 . . . . 1 PRO HA . 26807 1 2 . 1 1 1 1 PRO HB2 H 1 2.294 0.02 . 2 . . . . 1 PRO HB2 . 26807 1 3 . 1 1 1 1 PRO HB3 H 1 1.905 0.02 . 2 . . . . 1 PRO HB3 . 26807 1 4 . 1 1 1 1 PRO HG2 H 1 2.012 0.02 . 2 . . . . 1 PRO HG2 . 26807 1 5 . 1 1 1 1 PRO HG3 H 1 1.955 0.02 . 2 . . . . 1 PRO HG3 . 26807 1 6 . 1 1 1 1 PRO HD2 H 1 3.534 0.02 . 2 . . . . 1 PRO HD2 . 26807 1 7 . 1 1 1 1 PRO HD3 H 1 3.571 0.02 . 2 . . . . 1 PRO HD3 . 26807 1 8 . 1 1 1 1 PRO C C 13 176.705 0.30 . 1 . . . . 1 PRO C . 26807 1 9 . 1 1 1 1 PRO CA C 13 63.059 0.30 . 1 . . . . 1 PRO CA . 26807 1 10 . 1 1 1 1 PRO CB C 13 32.266 0.30 . 1 . . . . 1 PRO CB . 26807 1 11 . 1 1 1 1 PRO CG C 13 26.733 0.30 . 1 . . . . 1 PRO CG . 26807 1 12 . 1 1 1 1 PRO CD C 13 49.639 0.30 . 1 . . . . 1 PRO CD . 26807 1 13 . 1 1 2 2 GLU H H 1 8.733 0.02 . 1 . . . . 2 GLU H . 26807 1 14 . 1 1 2 2 GLU HA H 1 4.162 0.02 . 1 . . . . 2 GLU HA . 26807 1 15 . 1 1 2 2 GLU HB2 H 1 1.988 0.02 . 2 . . . . 2 GLU HB2 . 26807 1 16 . 1 1 2 2 GLU HB3 H 1 1.930 0.02 . 2 . . . . 2 GLU HB3 . 26807 1 17 . 1 1 2 2 GLU HG2 H 1 2.240 0.02 . 2 . . . . 2 GLU HG2 . 26807 1 18 . 1 1 2 2 GLU HG3 H 1 2.290 0.02 . 2 . . . . 2 GLU HG3 . 26807 1 19 . 1 1 2 2 GLU C C 13 176.485 0.30 . 1 . . . . 2 GLU C . 26807 1 20 . 1 1 2 2 GLU CA C 13 57.299 0.30 . 1 . . . . 2 GLU CA . 26807 1 21 . 1 1 2 2 GLU CB C 13 29.587 0.30 . 1 . . . . 2 GLU CB . 26807 1 22 . 1 1 2 2 GLU CG C 13 36.122 0.30 . 1 . . . . 2 GLU CG . 26807 1 23 . 1 1 2 2 GLU N N 15 121.610 0.20 . 1 . . . . 2 GLU N . 26807 1 24 . 1 1 3 3 ARG H H 1 8.463 0.02 . 1 . . . . 3 ARG H . 26807 1 25 . 1 1 3 3 ARG HA H 1 4.474 0.02 . 1 . . . . 3 ARG HA . 26807 1 26 . 1 1 3 3 ARG HB2 H 1 1.579 0.02 . 2 . . . . 3 ARG HB2 . 26807 1 27 . 1 1 3 3 ARG HB3 H 1 1.265 0.02 . 2 . . . . 3 ARG HB3 . 26807 1 28 . 1 1 3 3 ARG HG2 H 1 1.514 0.02 . 2 . . . . 3 ARG HG2 . 26807 1 29 . 1 1 3 3 ARG HG3 H 1 1.386 0.02 . 2 . . . . 3 ARG HG3 . 26807 1 30 . 1 1 3 3 ARG HD2 H 1 2.913 0.02 . 2 . . . . 3 ARG HD2 . 26807 1 31 . 1 1 3 3 ARG HD3 H 1 3.042 0.02 . 2 . . . . 3 ARG HD3 . 26807 1 32 . 1 1 3 3 ARG HE H 1 7.071 0.02 . 1 . . . . 3 ARG HE . 26807 1 33 . 1 1 3 3 ARG C C 13 174.231 0.30 . 1 . . . . 3 ARG C . 26807 1 34 . 1 1 3 3 ARG CA C 13 53.555 0.30 . 1 . . . . 3 ARG CA . 26807 1 35 . 1 1 3 3 ARG CB C 13 30.955 0.30 . 1 . . . . 3 ARG CB . 26807 1 36 . 1 1 3 3 ARG CG C 13 27.045 0.30 . 1 . . . . 3 ARG CG . 26807 1 37 . 1 1 3 3 ARG CD C 13 43.500 0.30 . 1 . . . . 3 ARG CD . 26807 1 38 . 1 1 3 3 ARG N N 15 121.244 0.20 . 1 . . . . 3 ARG N . 26807 1 39 . 1 1 3 3 ARG NE N 15 84.816 0.20 . 1 . . . . 3 ARG NE . 26807 1 40 . 1 1 4 4 PRO HA H 1 4.283 0.02 . 1 . . . . 4 PRO HA . 26807 1 41 . 1 1 4 4 PRO HB2 H 1 2.047 0.02 . 2 . . . . 4 PRO HB2 . 26807 1 42 . 1 1 4 4 PRO HB3 H 1 1.301 0.02 . 2 . . . . 4 PRO HB3 . 26807 1 43 . 1 1 4 4 PRO HG2 H 1 1.573 0.02 . 2 . . . . 4 PRO HG2 . 26807 1 44 . 1 1 4 4 PRO HG3 H 1 1.838 0.02 . 2 . . . . 4 PRO HG3 . 26807 1 45 . 1 1 4 4 PRO HD2 H 1 3.743 0.02 . 2 . . . . 4 PRO HD2 . 26807 1 46 . 1 1 4 4 PRO HD3 H 1 3.601 0.02 . 2 . . . . 4 PRO HD3 . 26807 1 47 . 1 1 4 4 PRO C C 13 176.579 0.30 . 1 . . . . 4 PRO C . 26807 1 48 . 1 1 4 4 PRO CA C 13 63.870 0.30 . 1 . . . . 4 PRO CA . 26807 1 49 . 1 1 4 4 PRO CB C 13 32.542 0.30 . 1 . . . . 4 PRO CB . 26807 1 50 . 1 1 4 4 PRO CG C 13 26.224 0.30 . 1 . . . . 4 PRO CG . 26807 1 51 . 1 1 4 4 PRO CD C 13 50.317 0.30 . 1 . . . . 4 PRO CD . 26807 1 52 . 1 1 5 5 TYR H H 1 7.899 0.02 . 1 . . . . 5 TYR H . 26807 1 53 . 1 1 5 5 TYR HA H 1 4.584 0.02 . 1 . . . . 5 TYR HA . 26807 1 54 . 1 1 5 5 TYR HB2 H 1 2.965 0.02 . 2 . . . . 5 TYR HB2 . 26807 1 55 . 1 1 5 5 TYR HB3 H 1 2.879 0.02 . 2 . . . . 5 TYR HB3 . 26807 1 56 . 1 1 5 5 TYR C C 13 174.416 0.30 . 1 . . . . 5 TYR C . 26807 1 57 . 1 1 5 5 TYR CA C 13 57.651 0.30 . 1 . . . . 5 TYR CA . 26807 1 58 . 1 1 5 5 TYR CB C 13 38.060 0.30 . 1 . . . . 5 TYR CB . 26807 1 59 . 1 1 5 5 TYR N N 15 117.899 0.20 . 1 . . . . 5 TYR N . 26807 1 60 . 1 1 6 6 ALA H H 1 8.505 0.02 . 1 . . . . 6 ALA H . 26807 1 61 . 1 1 6 6 ALA HA H 1 4.772 0.02 . 1 . . . . 6 ALA HA . 26807 1 62 . 1 1 6 6 ALA C C 13 175.928 0.30 . 1 . . . . 6 ALA C . 26807 1 63 . 1 1 6 6 ALA CA C 13 50.792 0.30 . 1 . . . . 6 ALA CA . 26807 1 64 . 1 1 6 6 ALA CB C 13 20.392 0.30 . 1 . . . . 6 ALA CB . 26807 1 65 . 1 1 6 6 ALA N N 15 127.862 0.20 . 1 . . . . 6 ALA N . 26807 1 66 . 1 1 7 7 CYS H H 1 8.383 0.02 . 1 . . . . 7 CYS H . 26807 1 67 . 1 1 7 7 CYS HA H 1 4.723 0.02 . 1 . . . . 7 CYS HA . 26807 1 68 . 1 1 7 7 CYS HB2 H 1 3.120 0.02 . 2 . . . . 7 CYS HB2 . 26807 1 69 . 1 1 7 7 CYS HB3 H 1 2.892 0.02 . 2 . . . . 7 CYS HB3 . 26807 1 70 . 1 1 7 7 CYS C C 13 175.948 0.30 . 1 . . . . 7 CYS C . 26807 1 71 . 1 1 7 7 CYS CA C 13 58.237 0.30 . 1 . . . . 7 CYS CA . 26807 1 72 . 1 1 7 7 CYS CB C 13 30.679 0.30 . 1 . . . . 7 CYS CB . 26807 1 73 . 1 1 7 7 CYS N N 15 125.542 0.20 . 1 . . . . 7 CYS N . 26807 1 74 . 1 1 8 8 PRO HA H 1 4.663 0.02 . 1 . . . . 8 PRO HA . 26807 1 75 . 1 1 8 8 PRO HB2 H 1 2.263 0.02 . 2 . . . . 8 PRO HB2 . 26807 1 76 . 1 1 8 8 PRO HB3 H 1 2.164 0.02 . 2 . . . . 8 PRO HB3 . 26807 1 77 . 1 1 8 8 PRO HG2 H 1 1.883 0.02 . 2 . . . . 8 PRO HG2 . 26807 1 78 . 1 1 8 8 PRO HG3 H 1 2.169 0.02 . 2 . . . . 8 PRO HG3 . 26807 1 79 . 1 1 8 8 PRO HD2 H 1 3.964 0.02 . 2 . . . . 8 PRO HD2 . 26807 1 80 . 1 1 8 8 PRO HD3 H 1 3.964 0.02 . 2 . . . . 8 PRO HD3 . 26807 1 81 . 1 1 8 8 PRO C C 13 176.862 0.30 . 1 . . . . 8 PRO C . 26807 1 82 . 1 1 8 8 PRO CA C 13 63.401 0.30 . 1 . . . . 8 PRO CA . 26807 1 83 . 1 1 8 8 PRO CB C 13 32.155 0.30 . 1 . . . . 8 PRO CB . 26807 1 84 . 1 1 8 8 PRO CG C 13 26.086 0.30 . 1 . . . . 8 PRO CG . 26807 1 85 . 1 1 8 8 PRO CD C 13 51.487 0.30 . 1 . . . . 8 PRO CD . 26807 1 86 . 1 1 9 9 VAL H H 1 8.588 0.02 . 1 . . . . 9 VAL H . 26807 1 87 . 1 1 9 9 VAL HA H 1 3.672 0.02 . 1 . . . . 9 VAL HA . 26807 1 88 . 1 1 9 9 VAL HB H 1 1.770 0.02 . 1 . . . . 9 VAL HB . 26807 1 89 . 1 1 9 9 VAL HG11 H 1 0.510 0.02 . 2 . . . . 9 VAL HG11 . 26807 1 90 . 1 1 9 9 VAL HG12 H 1 0.510 0.02 . 2 . . . . 9 VAL HG11 . 26807 1 91 . 1 1 9 9 VAL HG13 H 1 0.510 0.02 . 2 . . . . 9 VAL HG11 . 26807 1 92 . 1 1 9 9 VAL HG21 H 1 0.468 0.02 . 2 . . . . 9 VAL HG21 . 26807 1 93 . 1 1 9 9 VAL HG22 H 1 0.468 0.02 . 2 . . . . 9 VAL HG21 . 26807 1 94 . 1 1 9 9 VAL HG23 H 1 0.468 0.02 . 2 . . . . 9 VAL HG21 . 26807 1 95 . 1 1 9 9 VAL C C 13 176.705 0.30 . 1 . . . . 9 VAL C . 26807 1 96 . 1 1 9 9 VAL CA C 13 64.638 0.30 . 1 . . . . 9 VAL CA . 26807 1 97 . 1 1 9 9 VAL CB C 13 30.581 0.30 . 1 . . . . 9 VAL CB . 26807 1 98 . 1 1 9 9 VAL CG1 C 13 20.572 0.30 . 2 . . . . 9 VAL CG1 . 26807 1 99 . 1 1 9 9 VAL CG2 C 13 22.392 0.30 . 2 . . . . 9 VAL CG2 . 26807 1 100 . 1 1 9 9 VAL N N 15 126.703 0.20 . 1 . . . . 9 VAL N . 26807 1 101 . 1 1 10 10 GLU H H 1 8.725 0.02 . 1 . . . . 10 GLU H . 26807 1 102 . 1 1 10 10 GLU HA H 1 3.970 0.02 . 1 . . . . 10 GLU HA . 26807 1 103 . 1 1 10 10 GLU HB2 H 1 2.047 0.02 . 2 . . . . 10 GLU HB2 . 26807 1 104 . 1 1 10 10 GLU HB3 H 1 2.010 0.02 . 2 . . . . 10 GLU HB3 . 26807 1 105 . 1 1 10 10 GLU HG2 H 1 2.326 0.02 . 2 . . . . 10 GLU HG2 . 26807 1 106 . 1 1 10 10 GLU HG3 H 1 2.326 0.02 . 2 . . . . 10 GLU HG3 . 26807 1 107 . 1 1 10 10 GLU C C 13 176.972 0.30 . 1 . . . . 10 GLU C . 26807 1 108 . 1 1 10 10 GLU CA C 13 59.169 0.30 . 1 . . . . 10 GLU CA . 26807 1 109 . 1 1 10 10 GLU CB C 13 29.323 0.30 . 1 . . . . 10 GLU CB . 26807 1 110 . 1 1 10 10 GLU CG C 13 36.122 0.30 . 1 . . . . 10 GLU CG . 26807 1 111 . 1 1 10 10 GLU N N 15 129.487 0.20 . 1 . . . . 10 GLU N . 26807 1 112 . 1 1 11 11 SER H H 1 8.238 0.02 . 1 . . . . 11 SER H . 26807 1 113 . 1 1 11 11 SER HA H 1 4.171 0.02 . 1 . . . . 11 SER HA . 26807 1 114 . 1 1 11 11 SER HB2 H 1 3.939 0.02 . 2 . . . . 11 SER HB2 . 26807 1 115 . 1 1 11 11 SER HB3 H 1 4.173 0.02 . 2 . . . . 11 SER HB3 . 26807 1 116 . 1 1 11 11 SER C C 13 172.810 0.30 . 1 . . . . 11 SER C . 26807 1 117 . 1 1 11 11 SER CA C 13 59.573 0.30 . 1 . . . . 11 SER CA . 26807 1 118 . 1 1 11 11 SER CB C 13 62.721 0.30 . 1 . . . . 11 SER CB . 26807 1 119 . 1 1 11 11 SER N N 15 113.636 0.20 . 1 . . . . 11 SER N . 26807 1 120 . 1 1 12 12 CYS H H 1 8.029 0.02 . 1 . . . . 12 CYS H . 26807 1 121 . 1 1 12 12 CYS HA H 1 4.522 0.02 . 1 . . . . 12 CYS HA . 26807 1 122 . 1 1 12 12 CYS HB2 H 1 3.304 0.02 . 2 . . . . 12 CYS HB2 . 26807 1 123 . 1 1 12 12 CYS HB3 H 1 2.663 0.02 . 2 . . . . 12 CYS HB3 . 26807 1 124 . 1 1 12 12 CYS C C 13 174.840 0.30 . 1 . . . . 12 CYS C . 26807 1 125 . 1 1 12 12 CYS CA C 13 60.153 0.30 . 1 . . . . 12 CYS CA . 26807 1 126 . 1 1 12 12 CYS CB C 13 30.581 0.30 . 1 . . . . 12 CYS CB . 26807 1 127 . 1 1 12 12 CYS N N 15 125.629 0.20 . 1 . . . . 12 CYS N . 26807 1 128 . 1 1 13 13 ASP H H 1 8.386 0.02 . 1 . . . . 13 ASP H . 26807 1 129 . 1 1 13 13 ASP HA H 1 4.772 0.02 . 1 . . . . 13 ASP HA . 26807 1 130 . 1 1 13 13 ASP HB2 H 1 2.818 0.02 . 2 . . . . 13 ASP HB2 . 26807 1 131 . 1 1 13 13 ASP HB3 H 1 2.688 0.02 . 2 . . . . 13 ASP HB3 . 26807 1 132 . 1 1 13 13 ASP C C 13 176.760 0.30 . 1 . . . . 13 ASP C . 26807 1 133 . 1 1 13 13 ASP CA C 13 53.543 0.30 . 1 . . . . 13 ASP CA . 26807 1 134 . 1 1 13 13 ASP CB C 13 41.101 0.30 . 1 . . . . 13 ASP CB . 26807 1 135 . 1 1 13 13 ASP N N 15 124.443 0.20 . 1 . . . . 13 ASP N . 26807 1 136 . 1 1 14 14 ARG H H 1 8.270 0.02 . 1 . . . . 14 ARG H . 26807 1 137 . 1 1 14 14 ARG HA H 1 3.989 0.02 . 1 . . . . 14 ARG HA . 26807 1 138 . 1 1 14 14 ARG HB2 H 1 1.192 0.02 . 2 . . . . 14 ARG HB2 . 26807 1 139 . 1 1 14 14 ARG HB3 H 1 1.449 0.02 . 2 . . . . 14 ARG HB3 . 26807 1 140 . 1 1 14 14 ARG HG2 H 1 1.542 0.02 . 2 . . . . 14 ARG HG2 . 26807 1 141 . 1 1 14 14 ARG HG3 H 1 1.689 0.02 . 2 . . . . 14 ARG HG3 . 26807 1 142 . 1 1 14 14 ARG HD2 H 1 3.106 0.02 . 2 . . . . 14 ARG HD2 . 26807 1 143 . 1 1 14 14 ARG HD3 H 1 3.106 0.02 . 2 . . . . 14 ARG HD3 . 26807 1 144 . 1 1 14 14 ARG HE H 1 7.157 0.02 . 1 . . . . 14 ARG HE . 26807 1 145 . 1 1 14 14 ARG C C 13 175.432 0.30 . 1 . . . . 14 ARG C . 26807 1 146 . 1 1 14 14 ARG CA C 13 56.317 0.30 . 1 . . . . 14 ARG CA . 26807 1 147 . 1 1 14 14 ARG CB C 13 30.500 0.30 . 1 . . . . 14 ARG CB . 26807 1 148 . 1 1 14 14 ARG CG C 13 27.086 0.30 . 1 . . . . 14 ARG CG . 26807 1 149 . 1 1 14 14 ARG CD C 13 41.880 0.30 . 1 . . . . 14 ARG CD . 26807 1 150 . 1 1 14 14 ARG N N 15 120.889 0.20 . 1 . . . . 14 ARG N . 26807 1 151 . 1 1 14 14 ARG NE N 15 83.498 0.20 . 1 . . . . 14 ARG NE . 26807 1 152 . 1 1 15 15 ARG H H 1 7.594 0.02 . 1 . . . . 15 ARG H . 26807 1 153 . 1 1 15 15 ARG HA H 1 4.977 0.02 . 1 . . . . 15 ARG HA . 26807 1 154 . 1 1 15 15 ARG HB2 H 1 1.366 0.02 . 2 . . . . 15 ARG HB2 . 26807 1 155 . 1 1 15 15 ARG HB3 H 1 1.716 0.02 . 2 . . . . 15 ARG HB3 . 26807 1 156 . 1 1 15 15 ARG HG2 H 1 1.380 0.02 . 2 . . . . 15 ARG HG2 . 26807 1 157 . 1 1 15 15 ARG HG3 H 1 1.486 0.02 . 2 . . . . 15 ARG HG3 . 26807 1 158 . 1 1 15 15 ARG HD2 H 1 3.189 0.02 . 2 . . . . 15 ARG HD2 . 26807 1 159 . 1 1 15 15 ARG HD3 H 1 3.106 0.02 . 2 . . . . 15 ARG HD3 . 26807 1 160 . 1 1 15 15 ARG HE H 1 7.057 0.02 . 1 . . . . 15 ARG HE . 26807 1 161 . 1 1 15 15 ARG C C 13 174.933 0.30 . 1 . . . . 15 ARG C . 26807 1 162 . 1 1 15 15 ARG CA C 13 54.179 0.30 . 1 . . . . 15 ARG CA . 26807 1 163 . 1 1 15 15 ARG CB C 13 33.628 0.30 . 1 . . . . 15 ARG CB . 26807 1 164 . 1 1 15 15 ARG CG C 13 27.225 0.30 . 1 . . . . 15 ARG CG . 26807 1 165 . 1 1 15 15 ARG CD C 13 43.269 0.30 . 1 . . . . 15 ARG CD . 26807 1 166 . 1 1 15 15 ARG N N 15 118.058 0.20 . 1 . . . . 15 ARG N . 26807 1 167 . 1 1 15 15 ARG NE N 15 84.307 0.20 . 1 . . . . 15 ARG NE . 26807 1 168 . 1 1 16 16 PHE H H 1 8.796 0.02 . 1 . . . . 16 PHE H . 26807 1 169 . 1 1 16 16 PHE HA H 1 4.885 0.02 . 1 . . . . 16 PHE HA . 26807 1 170 . 1 1 16 16 PHE HB2 H 1 3.669 0.02 . 2 . . . . 16 PHE HB2 . 26807 1 171 . 1 1 16 16 PHE HB3 H 1 2.666 0.02 . 2 . . . . 16 PHE HB3 . 26807 1 172 . 1 1 16 16 PHE C C 13 175.119 0.30 . 1 . . . . 16 PHE C . 26807 1 173 . 1 1 16 16 PHE CA C 13 57.427 0.30 . 1 . . . . 16 PHE CA . 26807 1 174 . 1 1 16 16 PHE CB C 13 43.586 0.30 . 1 . . . . 16 PHE CB . 26807 1 175 . 1 1 16 16 PHE N N 15 117.264 0.20 . 1 . . . . 16 PHE N . 26807 1 176 . 1 1 17 17 SER H H 1 9.402 0.02 . 1 . . . . 17 SER H . 26807 1 177 . 1 1 17 17 SER HA H 1 4.772 0.02 . 1 . . . . 17 SER HA . 26807 1 178 . 1 1 17 17 SER HB2 H 1 4.180 0.02 . 2 . . . . 17 SER HB2 . 26807 1 179 . 1 1 17 17 SER HB3 H 1 4.124 0.02 . 2 . . . . 17 SER HB3 . 26807 1 180 . 1 1 17 17 SER C C 13 173.980 0.30 . 1 . . . . 17 SER C . 26807 1 181 . 1 1 17 17 SER CA C 13 60.840 0.30 . 1 . . . . 17 SER CA . 26807 1 182 . 1 1 17 17 SER CB C 13 64.460 0.30 . 1 . . . . 17 SER CB . 26807 1 183 . 1 1 17 17 SER N N 15 117.202 0.20 . 1 . . . . 17 SER N . 26807 1 184 . 1 1 18 18 ARG H H 1 7.774 0.02 . 1 . . . . 18 ARG H . 26807 1 185 . 1 1 18 18 ARG HA H 1 4.840 0.02 . 1 . . . . 18 ARG HA . 26807 1 186 . 1 1 18 18 ARG HB2 H 1 2.149 0.02 . 2 . . . . 18 ARG HB2 . 26807 1 187 . 1 1 18 18 ARG HB3 H 1 1.662 0.02 . 2 . . . . 18 ARG HB3 . 26807 1 188 . 1 1 18 18 ARG HG2 H 1 1.669 0.02 . 2 . . . . 18 ARG HG2 . 26807 1 189 . 1 1 18 18 ARG HG3 H 1 1.669 0.02 . 2 . . . . 18 ARG HG3 . 26807 1 190 . 1 1 18 18 ARG HD2 H 1 3.318 0.02 . 2 . . . . 18 ARG HD2 . 26807 1 191 . 1 1 18 18 ARG HD3 H 1 3.253 0.02 . 2 . . . . 18 ARG HD3 . 26807 1 192 . 1 1 18 18 ARG HE H 1 7.866 0.02 . 1 . . . . 18 ARG HE . 26807 1 193 . 1 1 18 18 ARG C C 13 176.635 0.30 . 1 . . . . 18 ARG C . 26807 1 194 . 1 1 18 18 ARG CA C 13 54.502 0.30 . 1 . . . . 18 ARG CA . 26807 1 195 . 1 1 18 18 ARG CB C 13 34.670 0.30 . 1 . . . . 18 ARG CB . 26807 1 196 . 1 1 18 18 ARG CG C 13 27.156 0.30 . 1 . . . . 18 ARG CG . 26807 1 197 . 1 1 18 18 ARG CD C 13 43.269 0.30 . 1 . . . . 18 ARG CD . 26807 1 198 . 1 1 18 18 ARG N N 15 117.934 0.20 . 1 . . . . 18 ARG N . 26807 1 199 . 1 1 18 18 ARG NE N 15 84.570 0.20 . 1 . . . . 18 ARG NE . 26807 1 200 . 1 1 19 19 SER H H 1 8.582 0.02 . 1 . . . . 19 SER H . 26807 1 201 . 1 1 19 19 SER HA H 1 3.130 0.02 . 1 . . . . 19 SER HA . 26807 1 202 . 1 1 19 19 SER HB2 H 1 3.378 0.02 . 2 . . . . 19 SER HB2 . 26807 1 203 . 1 1 19 19 SER HB3 H 1 3.557 0.02 . 2 . . . . 19 SER HB3 . 26807 1 204 . 1 1 19 19 SER C C 13 176.635 0.30 . 1 . . . . 19 SER C . 26807 1 205 . 1 1 19 19 SER CA C 13 61.054 0.30 . 1 . . . . 19 SER CA . 26807 1 206 . 1 1 19 19 SER CB C 13 62.389 0.30 . 1 . . . . 19 SER CB . 26807 1 207 . 1 1 19 19 SER N N 15 119.144 0.20 . 1 . . . . 19 SER N . 26807 1 208 . 1 1 20 20 ASP H H 1 8.621 0.02 . 1 . . . . 20 ASP H . 26807 1 209 . 1 1 20 20 ASP HA H 1 4.246 0.02 . 1 . . . . 20 ASP HA . 26807 1 210 . 1 1 20 20 ASP HB2 H 1 2.680 0.02 . 2 . . . . 20 ASP HB2 . 26807 1 211 . 1 1 20 20 ASP HB3 H 1 2.583 0.02 . 2 . . . . 20 ASP HB3 . 26807 1 212 . 1 1 20 20 ASP C C 13 178.495 0.30 . 1 . . . . 20 ASP C . 26807 1 213 . 1 1 20 20 ASP CA C 13 56.508 0.30 . 1 . . . . 20 ASP CA . 26807 1 214 . 1 1 20 20 ASP CB C 13 39.113 0.30 . 1 . . . . 20 ASP CB . 26807 1 215 . 1 1 20 20 ASP N N 15 119.668 0.20 . 1 . . . . 20 ASP N . 26807 1 216 . 1 1 21 21 GLU H H 1 6.976 0.02 . 1 . . . . 21 GLU H . 26807 1 217 . 1 1 21 21 GLU HA H 1 3.795 0.02 . 1 . . . . 21 GLU HA . 26807 1 218 . 1 1 21 21 GLU HB2 H 1 2.278 0.02 . 2 . . . . 21 GLU HB2 . 26807 1 219 . 1 1 21 21 GLU HB3 H 1 1.977 0.02 . 2 . . . . 21 GLU HB3 . 26807 1 220 . 1 1 21 21 GLU HG2 H 1 2.240 0.02 . 2 . . . . 21 GLU HG2 . 26807 1 221 . 1 1 21 21 GLU HG3 H 1 2.240 0.02 . 2 . . . . 21 GLU HG3 . 26807 1 222 . 1 1 21 21 GLU C C 13 178.919 0.30 . 1 . . . . 21 GLU C . 26807 1 223 . 1 1 21 21 GLU CA C 13 58.323 0.30 . 1 . . . . 21 GLU CA . 26807 1 224 . 1 1 21 21 GLU CB C 13 30.001 0.30 . 1 . . . . 21 GLU CB . 26807 1 225 . 1 1 21 21 GLU CG C 13 36.932 0.30 . 1 . . . . 21 GLU CG . 26807 1 226 . 1 1 21 21 GLU N N 15 119.755 0.20 . 1 . . . . 21 GLU N . 26807 1 227 . 1 1 22 22 LEU H H 1 6.894 0.02 . 1 . . . . 22 LEU H . 26807 1 228 . 1 1 22 22 LEU HA H 1 3.368 0.02 . 1 . . . . 22 LEU HA . 26807 1 229 . 1 1 22 22 LEU HB2 H 1 2.052 0.02 . 2 . . . . 22 LEU HB2 . 26807 1 230 . 1 1 22 22 LEU HB3 H 1 1.258 0.02 . 2 . . . . 22 LEU HB3 . 26807 1 231 . 1 1 22 22 LEU HG H 1 1.597 0.02 . 1 . . . . 22 LEU HG . 26807 1 232 . 1 1 22 22 LEU HD11 H 1 1.033 0.02 . 2 . . . . 22 LEU HD11 . 26807 1 233 . 1 1 22 22 LEU HD12 H 1 1.033 0.02 . 2 . . . . 22 LEU HD11 . 26807 1 234 . 1 1 22 22 LEU HD13 H 1 1.033 0.02 . 2 . . . . 22 LEU HD11 . 26807 1 235 . 1 1 22 22 LEU HD21 H 1 1.113 0.02 . 2 . . . . 22 LEU HD21 . 26807 1 236 . 1 1 22 22 LEU HD22 H 1 1.113 0.02 . 2 . . . . 22 LEU HD21 . 26807 1 237 . 1 1 22 22 LEU HD23 H 1 1.113 0.02 . 2 . . . . 22 LEU HD21 . 26807 1 238 . 1 1 22 22 LEU C C 13 177.505 0.30 . 1 . . . . 22 LEU C . 26807 1 239 . 1 1 22 22 LEU CA C 13 57.896 0.30 . 1 . . . . 22 LEU CA . 26807 1 240 . 1 1 22 22 LEU CB C 13 39.941 0.30 . 1 . . . . 22 LEU CB . 26807 1 241 . 1 1 22 22 LEU CG C 13 27.138 0.30 . 1 . . . . 22 LEU CG . 26807 1 242 . 1 1 22 22 LEU CD1 C 13 25.924 0.30 . 2 . . . . 22 LEU CD1 . 26807 1 243 . 1 1 22 22 LEU CD2 C 13 22.929 0.30 . 2 . . . . 22 LEU CD2 . 26807 1 244 . 1 1 22 22 LEU N N 15 120.756 0.20 . 1 . . . . 22 LEU N . 26807 1 245 . 1 1 23 23 THR H H 1 8.215 0.02 . 1 . . . . 23 THR H . 26807 1 246 . 1 1 23 23 THR HA H 1 3.669 0.02 . 1 . . . . 23 THR HA . 26807 1 247 . 1 1 23 23 THR HB H 1 4.106 0.02 . 1 . . . . 23 THR HB . 26807 1 248 . 1 1 23 23 THR HG21 H 1 1.147 0.02 . 1 . . . . 23 THR HG21 . 26807 1 249 . 1 1 23 23 THR HG22 H 1 1.147 0.02 . 1 . . . . 23 THR HG21 . 26807 1 250 . 1 1 23 23 THR HG23 H 1 1.147 0.02 . 1 . . . . 23 THR HG21 . 26807 1 251 . 1 1 23 23 THR C C 13 175.745 0.30 . 1 . . . . 23 THR C . 26807 1 252 . 1 1 23 23 THR CA C 13 67.028 0.30 . 1 . . . . 23 THR CA . 26807 1 253 . 1 1 23 23 THR CB C 13 69.003 0.30 . 1 . . . . 23 THR CB . 26807 1 254 . 1 1 23 23 THR CG2 C 13 21.958 0.30 . 1 . . . . 23 THR CG2 . 26807 1 255 . 1 1 23 23 THR N N 15 115.603 0.20 . 1 . . . . 23 THR N . 26807 1 256 . 1 1 24 24 ARG H H 1 7.344 0.02 . 1 . . . . 24 ARG H . 26807 1 257 . 1 1 24 24 ARG HA H 1 3.916 0.02 . 1 . . . . 24 ARG HA . 26807 1 258 . 1 1 24 24 ARG HB2 H 1 1.754 0.02 . 2 . . . . 24 ARG HB2 . 26807 1 259 . 1 1 24 24 ARG HB3 H 1 1.754 0.02 . 2 . . . . 24 ARG HB3 . 26807 1 260 . 1 1 24 24 ARG HG2 H 1 1.496 0.02 . 2 . . . . 24 ARG HG2 . 26807 1 261 . 1 1 24 24 ARG HG3 H 1 1.757 0.02 . 2 . . . . 24 ARG HG3 . 26807 1 262 . 1 1 24 24 ARG HD2 H 1 3.125 0.02 . 2 . . . . 24 ARG HD2 . 26807 1 263 . 1 1 24 24 ARG HD3 H 1 3.217 0.02 . 2 . . . . 24 ARG HD3 . 26807 1 264 . 1 1 24 24 ARG HE H 1 7.325 0.02 . 1 . . . . 24 ARG HE . 26807 1 265 . 1 1 24 24 ARG C C 13 178.274 0.30 . 1 . . . . 24 ARG C . 26807 1 266 . 1 1 24 24 ARG CA C 13 59.629 0.30 . 1 . . . . 24 ARG CA . 26807 1 267 . 1 1 24 24 ARG CB C 13 30.221 0.30 . 1 . . . . 24 ARG CB . 26807 1 268 . 1 1 24 24 ARG CG C 13 27.781 0.30 . 1 . . . . 24 ARG CG . 26807 1 269 . 1 1 24 24 ARG CD C 13 43.408 0.30 . 1 . . . . 24 ARG CD . 26807 1 270 . 1 1 24 24 ARG N N 15 118.729 0.20 . 1 . . . . 24 ARG N . 26807 1 271 . 1 1 24 24 ARG NE N 15 84.324 0.20 . 1 . . . . 24 ARG NE . 26807 1 272 . 1 1 25 25 HIS H H 1 7.568 0.02 . 1 . . . . 25 HIS H . 26807 1 273 . 1 1 25 25 HIS HA H 1 4.246 0.02 . 1 . . . . 25 HIS HA . 26807 1 274 . 1 1 25 25 HIS HB2 H 1 3.130 0.02 . 2 . . . . 25 HIS HB2 . 26807 1 275 . 1 1 25 25 HIS HB3 H 1 2.892 0.02 . 2 . . . . 25 HIS HB3 . 26807 1 276 . 1 1 25 25 HIS C C 13 176.736 0.30 . 1 . . . . 25 HIS C . 26807 1 277 . 1 1 25 25 HIS CA C 13 59.304 0.30 . 1 . . . . 25 HIS CA . 26807 1 278 . 1 1 25 25 HIS CB C 13 28.924 0.30 . 1 . . . . 25 HIS CB . 26807 1 279 . 1 1 25 25 HIS N N 15 119.058 0.20 . 1 . . . . 25 HIS N . 26807 1 280 . 1 1 26 26 ILE H H 1 8.389 0.02 . 1 . . . . 26 ILE H . 26807 1 281 . 1 1 26 26 ILE HA H 1 3.531 0.02 . 1 . . . . 26 ILE HA . 26807 1 282 . 1 1 26 26 ILE HB H 1 1.930 0.02 . 1 . . . . 26 ILE HB . 26807 1 283 . 1 1 26 26 ILE HG12 H 1 1.394 0.02 . 2 . . . . 26 ILE HG12 . 26807 1 284 . 1 1 26 26 ILE HG13 H 1 1.923 0.02 . 2 . . . . 26 ILE HG13 . 26807 1 285 . 1 1 26 26 ILE C C 13 177.254 0.30 . 1 . . . . 26 ILE C . 26807 1 286 . 1 1 26 26 ILE CA C 13 65.748 0.30 . 1 . . . . 26 ILE CA . 26807 1 287 . 1 1 26 26 ILE CB C 13 38.119 0.30 . 1 . . . . 26 ILE CB . 26807 1 288 . 1 1 26 26 ILE CG1 C 13 29.404 0.30 . 1 . . . . 26 ILE CG1 . 26807 1 289 . 1 1 26 26 ILE CG2 C 13 17.830 0.30 . 1 . . . . 26 ILE CG2 . 26807 1 290 . 1 1 26 26 ILE CD1 C 13 14.268 0.30 . 1 . . . . 26 ILE CD1 . 26807 1 291 . 1 1 26 26 ILE N N 15 116.567 0.20 . 1 . . . . 26 ILE N . 26807 1 292 . 1 1 27 27 ARG H H 1 6.971 0.02 . 1 . . . . 27 ARG H . 26807 1 293 . 1 1 27 27 ARG HA H 1 4.074 0.02 . 1 . . . . 27 ARG HA . 26807 1 294 . 1 1 27 27 ARG HB2 H 1 1.809 0.02 . 2 . . . . 27 ARG HB2 . 26807 1 295 . 1 1 27 27 ARG HB3 H 1 1.873 0.02 . 2 . . . . 27 ARG HB3 . 26807 1 296 . 1 1 27 27 ARG HG2 H 1 1.643 0.02 . 2 . . . . 27 ARG HG2 . 26807 1 297 . 1 1 27 27 ARG HG3 H 1 1.802 0.02 . 2 . . . . 27 ARG HG3 . 26807 1 298 . 1 1 27 27 ARG HD2 H 1 3.180 0.02 . 2 . . . . 27 ARG HD2 . 26807 1 299 . 1 1 27 27 ARG HD3 H 1 3.180 0.02 . 2 . . . . 27 ARG HD3 . 26807 1 300 . 1 1 27 27 ARG HE H 1 7.219 0.02 . 1 . . . . 27 ARG HE . 26807 1 301 . 1 1 27 27 ARG C C 13 178.524 0.30 . 1 . . . . 27 ARG C . 26807 1 302 . 1 1 27 27 ARG CA C 13 58.410 0.30 . 1 . . . . 27 ARG CA . 26807 1 303 . 1 1 27 27 ARG CB C 13 29.804 0.30 . 1 . . . . 27 ARG CB . 26807 1 304 . 1 1 27 27 ARG CG C 13 27.225 0.30 . 1 . . . . 27 ARG CG . 26807 1 305 . 1 1 27 27 ARG CD C 13 43.408 0.30 . 1 . . . . 27 ARG CD . 26807 1 306 . 1 1 27 27 ARG N N 15 117.312 0.20 . 1 . . . . 27 ARG N . 26807 1 307 . 1 1 27 27 ARG NE N 15 84.529 0.20 . 1 . . . . 27 ARG NE . 26807 1 308 . 1 1 28 28 ILE H H 1 7.846 0.02 . 1 . . . . 28 ILE H . 26807 1 309 . 1 1 28 28 ILE HA H 1 3.983 0.02 . 1 . . . . 28 ILE HA . 26807 1 310 . 1 1 28 28 ILE HB H 1 1.819 0.02 . 1 . . . . 28 ILE HB . 26807 1 311 . 1 1 28 28 ILE HG12 H 1 1.052 0.02 . 2 . . . . 28 ILE HG12 . 26807 1 312 . 1 1 28 28 ILE HG13 H 1 1.052 0.02 . 2 . . . . 28 ILE HG13 . 26807 1 313 . 1 1 28 28 ILE C C 13 177.678 0.30 . 1 . . . . 28 ILE C . 26807 1 314 . 1 1 28 28 ILE CA C 13 62.974 0.30 . 1 . . . . 28 ILE CA . 26807 1 315 . 1 1 28 28 ILE CB C 13 37.255 0.30 . 1 . . . . 28 ILE CB . 26807 1 316 . 1 1 28 28 ILE CG1 C 13 26.895 0.30 . 1 . . . . 28 ILE CG1 . 26807 1 317 . 1 1 28 28 ILE CG2 C 13 16.939 0.30 . 1 . . . . 28 ILE CG2 . 26807 1 318 . 1 1 28 28 ILE CD1 C 13 14.026 0.30 . 1 . . . . 28 ILE CD1 . 26807 1 319 . 1 1 28 28 ILE N N 15 116.960 0.20 . 1 . . . . 28 ILE N . 26807 1 320 . 1 1 29 29 HIS H H 1 7.414 0.02 . 1 . . . . 29 HIS H . 26807 1 321 . 1 1 29 29 HIS HA H 1 4.622 0.02 . 1 . . . . 29 HIS HA . 26807 1 322 . 1 1 29 29 HIS HB2 H 1 3.226 0.02 . 2 . . . . 29 HIS HB2 . 26807 1 323 . 1 1 29 29 HIS HB3 H 1 3.226 0.02 . 2 . . . . 29 HIS HB3 . 26807 1 324 . 1 1 29 29 HIS C C 13 175.948 0.30 . 1 . . . . 29 HIS C . 26807 1 325 . 1 1 29 29 HIS CA C 13 56.274 0.30 . 1 . . . . 29 HIS CA . 26807 1 326 . 1 1 29 29 HIS CB C 13 28.344 0.30 . 1 . . . . 29 HIS CB . 26807 1 327 . 1 1 29 29 HIS N N 15 118.693 0.20 . 1 . . . . 29 HIS N . 26807 1 328 . 1 1 30 30 THR H H 1 7.851 0.02 . 1 . . . . 30 THR H . 26807 1 329 . 1 1 30 30 THR HA H 1 4.271 0.02 . 1 . . . . 30 THR HA . 26807 1 330 . 1 1 30 30 THR HB H 1 4.314 0.02 . 1 . . . . 30 THR HB . 26807 1 331 . 1 1 30 30 THR HG21 H 1 1.218 0.02 . 1 . . . . 30 THR HG21 . 26807 1 332 . 1 1 30 30 THR HG22 H 1 1.218 0.02 . 1 . . . . 30 THR HG21 . 26807 1 333 . 1 1 30 30 THR HG23 H 1 1.218 0.02 . 1 . . . . 30 THR HG21 . 26807 1 334 . 1 1 30 30 THR C C 13 175.386 0.30 . 1 . . . . 30 THR C . 26807 1 335 . 1 1 30 30 THR CA C 13 63.017 0.30 . 1 . . . . 30 THR CA . 26807 1 336 . 1 1 30 30 THR CB C 13 69.762 0.30 . 1 . . . . 30 THR CB . 26807 1 337 . 1 1 30 30 THR CG2 C 13 21.475 0.30 . 1 . . . . 30 THR CG2 . 26807 1 338 . 1 1 30 30 THR N N 15 112.844 0.20 . 1 . . . . 30 THR N . 26807 1 339 . 1 1 31 31 GLY H H 1 8.349 0.02 . 1 . . . . 31 GLY H . 26807 1 340 . 1 1 31 31 GLY HA2 H 1 4.014 0.02 . 2 . . . . 31 GLY HA2 . 26807 1 341 . 1 1 31 31 GLY HA3 H 1 3.934 0.02 . 2 . . . . 31 GLY HA3 . 26807 1 342 . 1 1 31 31 GLY C C 13 174.105 0.30 . 1 . . . . 31 GLY C . 26807 1 343 . 1 1 31 31 GLY CA C 13 45.372 0.30 . 1 . . . . 31 GLY CA . 26807 1 344 . 1 1 31 31 GLY N N 15 110.879 0.20 . 1 . . . . 31 GLY N . 26807 1 345 . 1 1 32 32 GLN H H 1 8.055 0.02 . 1 . . . . 32 GLN H . 26807 1 346 . 1 1 32 32 GLN HA H 1 4.258 0.02 . 1 . . . . 32 GLN HA . 26807 1 347 . 1 1 32 32 GLN HB2 H 1 2.053 0.02 . 2 . . . . 32 GLN HB2 . 26807 1 348 . 1 1 32 32 GLN HB3 H 1 1.969 0.02 . 2 . . . . 32 GLN HB3 . 26807 1 349 . 1 1 32 32 GLN HG2 H 1 2.327 0.02 . 2 . . . . 32 GLN HG2 . 26807 1 350 . 1 1 32 32 GLN HG3 H 1 2.327 0.02 . 2 . . . . 32 GLN HG3 . 26807 1 351 . 1 1 32 32 GLN HE21 H 1 7.532 0.02 . 2 . . . . 32 GLN HE21 . 26807 1 352 . 1 1 32 32 GLN HE22 H 1 6.860 0.02 . 2 . . . . 32 GLN HE22 . 26807 1 353 . 1 1 32 32 GLN C C 13 175.854 0.30 . 1 . . . . 32 GLN C . 26807 1 354 . 1 1 32 32 GLN CA C 13 55.933 0.30 . 1 . . . . 32 GLN CA . 26807 1 355 . 1 1 32 32 GLN CB C 13 29.173 0.30 . 1 . . . . 32 GLN CB . 26807 1 356 . 1 1 32 32 GLN CG C 13 33.613 0.30 . 1 . . . . 32 GLN CG . 26807 1 357 . 1 1 32 32 GLN N N 15 119.302 0.20 . 1 . . . . 32 GLN N . 26807 1 358 . 1 1 32 32 GLN NE2 N 15 112.640 0.20 . 1 . . . . 32 GLN NE2 . 26807 1 359 . 1 1 33 33 LYS H H 1 8.261 0.02 . 1 . . . . 33 LYS H . 26807 1 360 . 1 1 33 33 LYS HA H 1 4.521 0.02 . 1 . . . . 33 LYS HA . 26807 1 361 . 1 1 33 33 LYS HB2 H 1 1.602 0.02 . 2 . . . . 33 LYS HB2 . 26807 1 362 . 1 1 33 33 LYS HB3 H 1 1.602 0.02 . 2 . . . . 33 LYS HB3 . 26807 1 363 . 1 1 33 33 LYS HG2 H 1 1.394 0.02 . 2 . . . . 33 LYS HG2 . 26807 1 364 . 1 1 33 33 LYS HG3 H 1 1.293 0.02 . 2 . . . . 33 LYS HG3 . 26807 1 365 . 1 1 33 33 LYS HD2 H 1 1.576 0.02 . 2 . . . . 33 LYS HD2 . 26807 1 366 . 1 1 33 33 LYS HD3 H 1 1.576 0.02 . 2 . . . . 33 LYS HD3 . 26807 1 367 . 1 1 33 33 LYS HE2 H 1 2.941 0.02 . 2 . . . . 33 LYS HE2 . 26807 1 368 . 1 1 33 33 LYS HE3 H 1 2.941 0.02 . 2 . . . . 33 LYS HE3 . 26807 1 369 . 1 1 33 33 LYS C C 13 174.324 0.30 . 1 . . . . 33 LYS C . 26807 1 370 . 1 1 33 33 LYS CA C 13 54.021 0.30 . 1 . . . . 33 LYS CA . 26807 1 371 . 1 1 33 33 LYS CB C 13 33.094 0.30 . 1 . . . . 33 LYS CB . 26807 1 372 . 1 1 33 33 LYS CG C 13 24.950 0.30 . 1 . . . . 33 LYS CG . 26807 1 373 . 1 1 33 33 LYS CD C 13 29.340 0.30 . 1 . . . . 33 LYS CD . 26807 1 374 . 1 1 33 33 LYS CE C 13 42.459 0.30 . 1 . . . . 33 LYS CE . 26807 1 375 . 1 1 33 33 LYS N N 15 122.430 0.20 . 1 . . . . 33 LYS N . 26807 1 376 . 1 1 33 33 LYS NZ N 15 32.743 0.20 . 1 . . . . 33 LYS NZ . 26807 1 377 . 1 1 34 34 PRO HA H 1 4.271 0.02 . 1 . . . . 34 PRO HA . 26807 1 378 . 1 1 34 34 PRO HB2 H 1 1.375 0.02 . 2 . . . . 34 PRO HB2 . 26807 1 379 . 1 1 34 34 PRO HB3 H 1 1.989 0.02 . 2 . . . . 34 PRO HB3 . 26807 1 380 . 1 1 34 34 PRO HG2 H 1 1.801 0.02 . 2 . . . . 34 PRO HG2 . 26807 1 381 . 1 1 34 34 PRO HG3 H 1 1.600 0.02 . 2 . . . . 34 PRO HG3 . 26807 1 382 . 1 1 34 34 PRO HD2 H 1 3.595 0.02 . 2 . . . . 34 PRO HD2 . 26807 1 383 . 1 1 34 34 PRO HD3 H 1 3.595 0.02 . 2 . . . . 34 PRO HD3 . 26807 1 384 . 1 1 34 34 PRO C C 13 176.249 0.30 . 1 . . . . 34 PRO C . 26807 1 385 . 1 1 34 34 PRO CA C 13 63.529 0.30 . 1 . . . . 34 PRO CA . 26807 1 386 . 1 1 34 34 PRO CB C 13 32.072 0.30 . 1 . . . . 34 PRO CB . 26807 1 387 . 1 1 34 34 PRO CG C 13 26.571 0.30 . 1 . . . . 34 PRO CG . 26807 1 388 . 1 1 34 34 PRO CD C 13 50.287 0.30 . 1 . . . . 34 PRO CD . 26807 1 389 . 1 1 35 35 PHE H H 1 8.208 0.02 . 1 . . . . 35 PHE H . 26807 1 390 . 1 1 35 35 PHE HA H 1 4.710 0.02 . 1 . . . . 35 PHE HA . 26807 1 391 . 1 1 35 35 PHE HB2 H 1 3.053 0.02 . 2 . . . . 35 PHE HB2 . 26807 1 392 . 1 1 35 35 PHE HB3 H 1 2.998 0.02 . 2 . . . . 35 PHE HB3 . 26807 1 393 . 1 1 35 35 PHE C C 13 174.192 0.30 . 1 . . . . 35 PHE C . 26807 1 394 . 1 1 35 35 PHE CA C 13 56.957 0.30 . 1 . . . . 35 PHE CA . 26807 1 395 . 1 1 35 35 PHE CB C 13 39.030 0.30 . 1 . . . . 35 PHE CB . 26807 1 396 . 1 1 35 35 PHE N N 15 118.618 0.20 . 1 . . . . 35 PHE N . 26807 1 397 . 1 1 36 36 GLN H H 1 8.463 0.02 . 1 . . . . 36 GLN H . 26807 1 398 . 1 1 36 36 GLN HA H 1 5.199 0.02 . 1 . . . . 36 GLN HA . 26807 1 399 . 1 1 36 36 GLN HB2 H 1 1.976 0.02 . 2 . . . . 36 GLN HB2 . 26807 1 400 . 1 1 36 36 GLN HB3 H 1 1.850 0.02 . 2 . . . . 36 GLN HB3 . 26807 1 401 . 1 1 36 36 GLN HG2 H 1 1.932 0.02 . 2 . . . . 36 GLN HG2 . 26807 1 402 . 1 1 36 36 GLN HG3 H 1 2.031 0.02 . 2 . . . . 36 GLN HG3 . 26807 1 403 . 1 1 36 36 GLN HE21 H 1 7.658 0.02 . 2 . . . . 36 GLN HE21 . 26807 1 404 . 1 1 36 36 GLN HE22 H 1 6.836 0.02 . 2 . . . . 36 GLN HE22 . 26807 1 405 . 1 1 36 36 GLN C C 13 174.962 0.30 . 1 . . . . 36 GLN C . 26807 1 406 . 1 1 36 36 GLN CA C 13 54.781 0.30 . 1 . . . . 36 GLN CA . 26807 1 407 . 1 1 36 36 GLN CB C 13 32.723 0.30 . 1 . . . . 36 GLN CB . 26807 1 408 . 1 1 36 36 GLN CG C 13 34.341 0.30 . 1 . . . . 36 GLN CG . 26807 1 409 . 1 1 36 36 GLN N N 15 123.942 0.20 . 1 . . . . 36 GLN N . 26807 1 410 . 1 1 36 36 GLN NE2 N 15 112.732 0.20 . 1 . . . . 36 GLN NE2 . 26807 1 411 . 1 1 37 37 CYS H H 1 9.164 0.02 . 1 . . . . 37 CYS H . 26807 1 412 . 1 1 37 37 CYS HA H 1 4.534 0.02 . 1 . . . . 37 CYS HA . 26807 1 413 . 1 1 37 37 CYS HB2 H 1 3.406 0.02 . 2 . . . . 37 CYS HB2 . 26807 1 414 . 1 1 37 37 CYS HB3 H 1 2.892 0.02 . 2 . . . . 37 CYS HB3 . 26807 1 415 . 1 1 37 37 CYS C C 13 176.893 0.30 . 1 . . . . 37 CYS C . 26807 1 416 . 1 1 37 37 CYS CA C 13 59.816 0.30 . 1 . . . . 37 CYS CA . 26807 1 417 . 1 1 37 37 CYS CB C 13 29.753 0.30 . 1 . . . . 37 CYS CB . 26807 1 418 . 1 1 37 37 CYS N N 15 128.668 0.20 . 1 . . . . 37 CYS N . 26807 1 419 . 1 1 38 38 ARG H H 1 9.105 0.02 . 1 . . . . 38 ARG H . 26807 1 420 . 1 1 38 38 ARG HA H 1 4.311 0.02 . 1 . . . . 38 ARG HA . 26807 1 421 . 1 1 38 38 ARG HB2 H 1 1.991 0.02 . 2 . . . . 38 ARG HB2 . 26807 1 422 . 1 1 38 38 ARG HB3 H 1 1.901 0.02 . 2 . . . . 38 ARG HB3 . 26807 1 423 . 1 1 38 38 ARG HG2 H 1 1.763 0.02 . 2 . . . . 38 ARG HG2 . 26807 1 424 . 1 1 38 38 ARG HG3 H 1 1.763 0.02 . 2 . . . . 38 ARG HG3 . 26807 1 425 . 1 1 38 38 ARG HD2 H 1 3.244 0.02 . 2 . . . . 38 ARG HD2 . 26807 1 426 . 1 1 38 38 ARG HD3 H 1 3.244 0.02 . 2 . . . . 38 ARG HD3 . 26807 1 427 . 1 1 38 38 ARG HE H 1 7.315 0.02 . 1 . . . . 38 ARG HE . 26807 1 428 . 1 1 38 38 ARG C C 13 175.854 0.30 . 1 . . . . 38 ARG C . 26807 1 429 . 1 1 38 38 ARG CA C 13 57.657 0.30 . 1 . . . . 38 ARG CA . 26807 1 430 . 1 1 38 38 ARG CB C 13 29.317 0.30 . 1 . . . . 38 ARG CB . 26807 1 431 . 1 1 38 38 ARG CG C 13 26.948 0.30 . 1 . . . . 38 ARG CG . 26807 1 432 . 1 1 38 38 ARG CD C 13 43.061 0.30 . 1 . . . . 38 ARG CD . 26807 1 433 . 1 1 38 38 ARG N N 15 130.084 0.20 . 1 . . . . 38 ARG N . 26807 1 434 . 1 1 38 38 ARG NE N 15 84.455 0.20 . 1 . . . . 38 ARG NE . 26807 1 435 . 1 1 39 39 ILE H H 1 8.856 0.02 . 1 . . . . 39 ILE H . 26807 1 436 . 1 1 39 39 ILE HA H 1 3.895 0.02 . 1 . . . . 39 ILE HA . 26807 1 437 . 1 1 39 39 ILE HB H 1 1.237 0.02 . 1 . . . . 39 ILE HB . 26807 1 438 . 1 1 39 39 ILE HG12 H 1 0.996 0.02 . 2 . . . . 39 ILE HG12 . 26807 1 439 . 1 1 39 39 ILE HG13 H 1 1.415 0.02 . 2 . . . . 39 ILE HG13 . 26807 1 440 . 1 1 39 39 ILE C C 13 176.815 0.30 . 1 . . . . 39 ILE C . 26807 1 441 . 1 1 39 39 ILE CA C 13 63.742 0.30 . 1 . . . . 39 ILE CA . 26807 1 442 . 1 1 39 39 ILE CB C 13 38.284 0.30 . 1 . . . . 39 ILE CB . 26807 1 443 . 1 1 39 39 ILE CG1 C 13 28.352 0.30 . 1 . . . . 39 ILE CG1 . 26807 1 444 . 1 1 39 39 ILE CG2 C 13 16.049 0.30 . 1 . . . . 39 ILE CG2 . 26807 1 445 . 1 1 39 39 ILE CD1 C 13 12.811 0.30 . 1 . . . . 39 ILE CD1 . 26807 1 446 . 1 1 39 39 ILE N N 15 121.635 0.20 . 1 . . . . 39 ILE N . 26807 1 447 . 1 1 40 40 CYS H H 1 8.208 0.02 . 1 . . . . 40 CYS H . 26807 1 448 . 1 1 40 40 CYS HA H 1 5.111 0.02 . 1 . . . . 40 CYS HA . 26807 1 449 . 1 1 40 40 CYS HB2 H 1 3.456 0.02 . 2 . . . . 40 CYS HB2 . 26807 1 450 . 1 1 40 40 CYS HB3 H 1 2.792 0.02 . 2 . . . . 40 CYS HB3 . 26807 1 451 . 1 1 40 40 CYS C C 13 175.542 0.30 . 1 . . . . 40 CYS C . 26807 1 452 . 1 1 40 40 CYS CA C 13 58.248 0.30 . 1 . . . . 40 CYS CA . 26807 1 453 . 1 1 40 40 CYS CB C 13 32.072 0.30 . 1 . . . . 40 CYS CB . 26807 1 454 . 1 1 40 40 CYS N N 15 116.946 0.20 . 1 . . . . 40 CYS N . 26807 1 455 . 1 1 41 41 MET H H 1 8.047 0.02 . 1 . . . . 41 MET H . 26807 1 456 . 1 1 41 41 MET HA H 1 4.396 0.02 . 1 . . . . 41 MET HA . 26807 1 457 . 1 1 41 41 MET HB2 H 1 2.462 0.02 . 2 . . . . 41 MET HB2 . 26807 1 458 . 1 1 41 41 MET HB3 H 1 2.185 0.02 . 2 . . . . 41 MET HB3 . 26807 1 459 . 1 1 41 41 MET HG2 H 1 2.585 0.02 . 2 . . . . 41 MET HG2 . 26807 1 460 . 1 1 41 41 MET HG3 H 1 2.283 0.02 . 2 . . . . 41 MET HG3 . 26807 1 461 . 1 1 41 41 MET C C 13 175.637 0.30 . 1 . . . . 41 MET C . 26807 1 462 . 1 1 41 41 MET CA C 13 57.585 0.30 . 1 . . . . 41 MET CA . 26807 1 463 . 1 1 41 41 MET CB C 13 28.510 0.30 . 1 . . . . 41 MET CB . 26807 1 464 . 1 1 41 41 MET CG C 13 33.108 0.30 . 1 . . . . 41 MET CG . 26807 1 465 . 1 1 41 41 MET N N 15 117.019 0.20 . 1 . . . . 41 MET N . 26807 1 466 . 1 1 42 42 ARG H H 1 7.978 0.02 . 1 . . . . 42 ARG H . 26807 1 467 . 1 1 42 42 ARG HA H 1 4.063 0.02 . 1 . . . . 42 ARG HA . 26807 1 468 . 1 1 42 42 ARG HB2 H 1 1.470 0.02 . 2 . . . . 42 ARG HB2 . 26807 1 469 . 1 1 42 42 ARG HB3 H 1 1.312 0.02 . 2 . . . . 42 ARG HB3 . 26807 1 470 . 1 1 42 42 ARG HG2 H 1 1.818 0.02 . 2 . . . . 42 ARG HG2 . 26807 1 471 . 1 1 42 42 ARG HG3 H 1 1.680 0.02 . 2 . . . . 42 ARG HG3 . 26807 1 472 . 1 1 42 42 ARG HD2 H 1 2.858 0.02 . 2 . . . . 42 ARG HD2 . 26807 1 473 . 1 1 42 42 ARG HD3 H 1 3.088 0.02 . 2 . . . . 42 ARG HD3 . 26807 1 474 . 1 1 42 42 ARG HE H 1 7.103 0.02 . 1 . . . . 42 ARG HE . 26807 1 475 . 1 1 42 42 ARG C C 13 174.417 0.30 . 1 . . . . 42 ARG C . 26807 1 476 . 1 1 42 42 ARG CA C 13 58.016 0.30 . 1 . . . . 42 ARG CA . 26807 1 477 . 1 1 42 42 ARG CB C 13 31.403 0.30 . 1 . . . . 42 ARG CB . 26807 1 478 . 1 1 42 42 ARG CG C 13 28.128 0.30 . 1 . . . . 42 ARG CG . 26807 1 479 . 1 1 42 42 ARG CD C 13 43.686 0.30 . 1 . . . . 42 ARG CD . 26807 1 480 . 1 1 42 42 ARG N N 15 121.708 0.20 . 1 . . . . 42 ARG N . 26807 1 481 . 1 1 42 42 ARG NE N 15 84.893 0.20 . 1 . . . . 42 ARG NE . 26807 1 482 . 1 1 43 43 ASN H H 1 8.161 0.02 . 1 . . . . 43 ASN H . 26807 1 483 . 1 1 43 43 ASN HA H 1 5.336 0.02 . 1 . . . . 43 ASN HA . 26807 1 484 . 1 1 43 43 ASN HB2 H 1 2.542 0.02 . 2 . . . . 43 ASN HB2 . 26807 1 485 . 1 1 43 43 ASN HB3 H 1 2.487 0.02 . 2 . . . . 43 ASN HB3 . 26807 1 486 . 1 1 43 43 ASN HD21 H 1 7.297 0.02 . 2 . . . . 43 ASN HD21 . 26807 1 487 . 1 1 43 43 ASN HD22 H 1 6.715 0.02 . 2 . . . . 43 ASN HD22 . 26807 1 488 . 1 1 43 43 ASN C C 13 174.271 0.30 . 1 . . . . 43 ASN C . 26807 1 489 . 1 1 43 43 ASN CA C 13 52.477 0.30 . 1 . . . . 43 ASN CA . 26807 1 490 . 1 1 43 43 ASN CB C 13 41.598 0.30 . 1 . . . . 43 ASN CB . 26807 1 491 . 1 1 43 43 ASN N N 15 119.193 0.20 . 1 . . . . 43 ASN N . 26807 1 492 . 1 1 43 43 ASN ND2 N 15 112.058 0.20 . 1 . . . . 43 ASN ND2 . 26807 1 493 . 1 1 44 44 PHE H H 1 8.737 0.02 . 1 . . . . 44 PHE H . 26807 1 494 . 1 1 44 44 PHE HA H 1 4.772 0.02 . 1 . . . . 44 PHE HA . 26807 1 495 . 1 1 44 44 PHE HB2 H 1 3.435 0.02 . 2 . . . . 44 PHE HB2 . 26807 1 496 . 1 1 44 44 PHE HB3 H 1 2.850 0.02 . 2 . . . . 44 PHE HB3 . 26807 1 497 . 1 1 44 44 PHE C C 13 175.370 0.30 . 1 . . . . 44 PHE C . 26807 1 498 . 1 1 44 44 PHE CA C 13 57.502 0.30 . 1 . . . . 44 PHE CA . 26807 1 499 . 1 1 44 44 PHE CB C 13 43.337 0.30 . 1 . . . . 44 PHE CB . 26807 1 500 . 1 1 44 44 PHE N N 15 117.837 0.20 . 1 . . . . 44 PHE N . 26807 1 501 . 1 1 45 45 SER H H 1 9.672 0.02 . 1 . . . . 45 SER H . 26807 1 502 . 1 1 45 45 SER HA H 1 4.697 0.02 . 1 . . . . 45 SER HA . 26807 1 503 . 1 1 45 45 SER HB2 H 1 4.106 0.02 . 2 . . . . 45 SER HB2 . 26807 1 504 . 1 1 45 45 SER HB3 H 1 4.014 0.02 . 2 . . . . 45 SER HB3 . 26807 1 505 . 1 1 45 45 SER C C 13 174.161 0.30 . 1 . . . . 45 SER C . 26807 1 506 . 1 1 45 45 SER CA C 13 59.902 0.30 . 1 . . . . 45 SER CA . 26807 1 507 . 1 1 45 45 SER CB C 13 64.543 0.30 . 1 . . . . 45 SER CB . 26807 1 508 . 1 1 45 45 SER N N 15 115.774 0.20 . 1 . . . . 45 SER N . 26807 1 509 . 1 1 46 46 ARG H H 1 7.232 0.02 . 1 . . . . 46 ARG H . 26807 1 510 . 1 1 46 46 ARG HA H 1 4.504 0.02 . 1 . . . . 46 ARG HA . 26807 1 511 . 1 1 46 46 ARG HB2 H 1 1.881 0.02 . 2 . . . . 46 ARG HB2 . 26807 1 512 . 1 1 46 46 ARG HB3 H 1 1.008 0.02 . 2 . . . . 46 ARG HB3 . 26807 1 513 . 1 1 46 46 ARG HG2 H 1 1.348 0.02 . 2 . . . . 46 ARG HG2 . 26807 1 514 . 1 1 46 46 ARG HG3 H 1 1.496 0.02 . 2 . . . . 46 ARG HG3 . 26807 1 515 . 1 1 46 46 ARG HD2 H 1 3.095 0.02 . 2 . . . . 46 ARG HD2 . 26807 1 516 . 1 1 46 46 ARG HD3 H 1 2.720 0.02 . 2 . . . . 46 ARG HD3 . 26807 1 517 . 1 1 46 46 ARG HE H 1 8.020 0.02 . 1 . . . . 46 ARG HE . 26807 1 518 . 1 1 46 46 ARG C C 13 176.291 0.30 . 1 . . . . 46 ARG C . 26807 1 519 . 1 1 46 46 ARG CA C 13 54.323 0.30 . 1 . . . . 46 ARG CA . 26807 1 520 . 1 1 46 46 ARG CB C 13 34.740 0.30 . 1 . . . . 46 ARG CB . 26807 1 521 . 1 1 46 46 ARG CG C 13 26.322 0.30 . 1 . . . . 46 ARG CG . 26807 1 522 . 1 1 46 46 ARG CD C 13 43.339 0.30 . 1 . . . . 46 ARG CD . 26807 1 523 . 1 1 46 46 ARG N N 15 117.337 0.20 . 1 . . . . 46 ARG N . 26807 1 524 . 1 1 46 46 ARG NE N 15 84.561 0.20 . 1 . . . . 46 ARG NE . 26807 1 525 . 1 1 47 47 SER H H 1 8.466 0.02 . 1 . . . . 47 SER H . 26807 1 526 . 1 1 47 47 SER HA H 1 3.173 0.02 . 1 . . . . 47 SER HA . 26807 1 527 . 1 1 47 47 SER HB2 H 1 3.356 0.02 . 2 . . . . 47 SER HB2 . 26807 1 528 . 1 1 47 47 SER HB3 H 1 3.519 0.02 . 2 . . . . 47 SER HB3 . 26807 1 529 . 1 1 47 47 SER CA C 13 60.968 0.30 . 1 . . . . 47 SER CA . 26807 1 530 . 1 1 47 47 SER CB C 13 62.306 0.30 . 1 . . . . 47 SER CB . 26807 1 531 . 1 1 47 47 SER N N 15 118.973 0.20 . 1 . . . . 47 SER N . 26807 1 532 . 1 1 48 48 ASP H H 1 8.630 0.02 . 1 . . . . 48 ASP H . 26807 1 533 . 1 1 48 48 ASP HA H 1 4.296 0.02 . 1 . . . . 48 ASP HA . 26807 1 534 . 1 1 48 48 ASP HB2 H 1 2.679 0.02 . 2 . . . . 48 ASP HB2 . 26807 1 535 . 1 1 48 48 ASP HB3 H 1 2.591 0.02 . 2 . . . . 48 ASP HB3 . 26807 1 536 . 1 1 48 48 ASP C C 13 178.542 0.30 . 1 . . . . 48 ASP C . 26807 1 537 . 1 1 48 48 ASP CA C 13 56.425 0.30 . 1 . . . . 48 ASP CA . 26807 1 538 . 1 1 48 48 ASP CB C 13 38.284 0.30 . 1 . . . . 48 ASP CB . 26807 1 539 . 1 1 48 48 ASP N N 15 120.072 0.20 . 1 . . . . 48 ASP N . 26807 1 540 . 1 1 49 49 HIS H H 1 7.168 0.02 . 1 . . . . 49 HIS H . 26807 1 541 . 1 1 49 49 HIS HA H 1 4.471 0.02 . 1 . . . . 49 HIS HA . 26807 1 542 . 1 1 49 49 HIS HB2 H 1 3.293 0.02 . 2 . . . . 49 HIS HB2 . 26807 1 543 . 1 1 49 49 HIS HB3 H 1 3.250 0.02 . 2 . . . . 49 HIS HB3 . 26807 1 544 . 1 1 49 49 HIS C C 13 178.180 0.30 . 1 . . . . 49 HIS C . 26807 1 545 . 1 1 49 49 HIS CA C 13 56.829 0.30 . 1 . . . . 49 HIS CA . 26807 1 546 . 1 1 49 49 HIS CB C 13 30.995 0.30 . 1 . . . . 49 HIS CB . 26807 1 547 . 1 1 49 49 HIS N N 15 119.486 0.20 . 1 . . . . 49 HIS N . 26807 1 548 . 1 1 50 50 LEU H H 1 7.155 0.02 . 1 . . . . 50 LEU H . 26807 1 549 . 1 1 50 50 LEU HA H 1 3.298 0.02 . 1 . . . . 50 LEU HA . 26807 1 550 . 1 1 50 50 LEU HB2 H 1 2.068 0.02 . 2 . . . . 50 LEU HB2 . 26807 1 551 . 1 1 50 50 LEU HB3 H 1 1.234 0.02 . 2 . . . . 50 LEU HB3 . 26807 1 552 . 1 1 50 50 LEU HG H 1 1.585 0.02 . 1 . . . . 50 LEU HG . 26807 1 553 . 1 1 50 50 LEU HD11 H 1 1.050 0.02 . 2 . . . . 50 LEU HD11 . 26807 1 554 . 1 1 50 50 LEU HD12 H 1 1.050 0.02 . 2 . . . . 50 LEU HD11 . 26807 1 555 . 1 1 50 50 LEU HD13 H 1 1.050 0.02 . 2 . . . . 50 LEU HD11 . 26807 1 556 . 1 1 50 50 LEU HD21 H 1 0.978 0.02 . 2 . . . . 50 LEU HD21 . 26807 1 557 . 1 1 50 50 LEU HD22 H 1 0.978 0.02 . 2 . . . . 50 LEU HD21 . 26807 1 558 . 1 1 50 50 LEU HD23 H 1 0.978 0.02 . 2 . . . . 50 LEU HD21 . 26807 1 559 . 1 1 50 50 LEU C C 13 177.270 0.30 . 1 . . . . 50 LEU C . 26807 1 560 . 1 1 50 50 LEU CA C 13 58.152 0.30 . 1 . . . . 50 LEU CA . 26807 1 561 . 1 1 50 50 LEU CB C 13 40.190 0.30 . 1 . . . . 50 LEU CB . 26807 1 562 . 1 1 50 50 LEU CG C 13 26.976 0.30 . 1 . . . . 50 LEU CG . 26807 1 563 . 1 1 50 50 LEU CD1 C 13 25.843 0.30 . 2 . . . . 50 LEU CD1 . 26807 1 564 . 1 1 50 50 LEU CD2 C 13 22.874 0.30 . 2 . . . . 50 LEU CD2 . 26807 1 565 . 1 1 50 50 LEU N N 15 120.891 0.20 . 1 . . . . 50 LEU N . 26807 1 566 . 1 1 51 51 THR H H 1 8.383 0.02 . 1 . . . . 51 THR H . 26807 1 567 . 1 1 51 51 THR HA H 1 3.757 0.02 . 1 . . . . 51 THR HA . 26807 1 568 . 1 1 51 51 THR HB H 1 4.221 0.02 . 1 . . . . 51 THR HB . 26807 1 569 . 1 1 51 51 THR HG21 H 1 1.197 0.02 . 1 . . . . 51 THR HG21 . 26807 1 570 . 1 1 51 51 THR HG22 H 1 1.197 0.02 . 1 . . . . 51 THR HG21 . 26807 1 571 . 1 1 51 51 THR HG23 H 1 1.197 0.02 . 1 . . . . 51 THR HG21 . 26807 1 572 . 1 1 51 51 THR CA C 13 67.395 0.30 . 1 . . . . 51 THR CA . 26807 1 573 . 1 1 51 51 THR CB C 13 68.519 0.30 . 1 . . . . 51 THR CB . 26807 1 574 . 1 1 51 51 THR CG2 C 13 22.039 0.30 . 1 . . . . 51 THR CG2 . 26807 1 575 . 1 1 51 51 THR N N 15 116.202 0.20 . 1 . . . . 51 THR N . 26807 1 576 . 1 1 52 52 THR H H 1 7.926 0.02 . 1 . . . . 52 THR H . 26807 1 577 . 1 1 52 52 THR HA H 1 3.798 0.02 . 1 . . . . 52 THR HA . 26807 1 578 . 1 1 52 52 THR HB H 1 4.070 0.02 . 1 . . . . 52 THR HB . 26807 1 579 . 1 1 52 52 THR HG21 H 1 1.187 0.02 . 1 . . . . 52 THR HG21 . 26807 1 580 . 1 1 52 52 THR HG22 H 1 1.187 0.02 . 1 . . . . 52 THR HG21 . 26807 1 581 . 1 1 52 52 THR HG23 H 1 1.187 0.02 . 1 . . . . 52 THR HG21 . 26807 1 582 . 1 1 52 52 THR C C 13 176.155 0.30 . 1 . . . . 52 THR C . 26807 1 583 . 1 1 52 52 THR CA C 13 66.558 0.30 . 1 . . . . 52 THR CA . 26807 1 584 . 1 1 52 52 THR CB C 13 68.850 0.30 . 1 . . . . 52 THR CB . 26807 1 585 . 1 1 52 52 THR CG2 C 13 21.877 0.30 . 1 . . . . 52 THR CG2 . 26807 1 586 . 1 1 52 52 THR N N 15 116.946 0.20 . 1 . . . . 52 THR N . 26807 1 587 . 1 1 53 53 HIS H H 1 7.649 0.02 . 1 . . . . 53 HIS H . 26807 1 588 . 1 1 53 53 HIS HA H 1 4.246 0.02 . 1 . . . . 53 HIS HA . 26807 1 589 . 1 1 53 53 HIS HB2 H 1 2.813 0.02 . 2 . . . . 53 HIS HB2 . 26807 1 590 . 1 1 53 53 HIS HB3 H 1 3.080 0.02 . 2 . . . . 53 HIS HB3 . 26807 1 591 . 1 1 53 53 HIS C C 13 178.495 0.30 . 1 . . . . 53 HIS C . 26807 1 592 . 1 1 53 53 HIS CA C 13 59.514 0.30 . 1 . . . . 53 HIS CA . 26807 1 593 . 1 1 53 53 HIS CB C 13 28.109 0.30 . 1 . . . . 53 HIS CB . 26807 1 594 . 1 1 53 53 HIS N N 15 120.793 0.20 . 1 . . . . 53 HIS N . 26807 1 595 . 1 1 54 54 ILE H H 1 8.929 0.02 . 1 . . . . 54 ILE H . 26807 1 596 . 1 1 54 54 ILE HA H 1 3.581 0.02 . 1 . . . . 54 ILE HA . 26807 1 597 . 1 1 54 54 ILE HB H 1 2.022 0.02 . 1 . . . . 54 ILE HB . 26807 1 598 . 1 1 54 54 ILE HG12 H 1 1.542 0.02 . 2 . . . . 54 ILE HG12 . 26807 1 599 . 1 1 54 54 ILE HG13 H 1 1.979 0.02 . 2 . . . . 54 ILE HG13 . 26807 1 600 . 1 1 54 54 ILE C C 13 177.882 0.30 . 1 . . . . 54 ILE C . 26807 1 601 . 1 1 54 54 ILE CA C 13 66.217 0.30 . 1 . . . . 54 ILE CA . 26807 1 602 . 1 1 54 54 ILE CB C 13 37.953 0.30 . 1 . . . . 54 ILE CB . 26807 1 603 . 1 1 54 54 ILE CG1 C 13 29.809 0.30 . 1 . . . . 54 ILE CG1 . 26807 1 604 . 1 1 54 54 ILE CG2 C 13 17.425 0.30 . 1 . . . . 54 ILE CG2 . 26807 1 605 . 1 1 54 54 ILE CD1 C 13 14.187 0.30 . 1 . . . . 54 ILE CD1 . 26807 1 606 . 1 1 54 54 ILE N N 15 121.928 0.20 . 1 . . . . 54 ILE N . 26807 1 607 . 1 1 55 55 ARG H H 1 7.072 0.02 . 1 . . . . 55 ARG H . 26807 1 608 . 1 1 55 55 ARG HA H 1 4.164 0.02 . 1 . . . . 55 ARG HA . 26807 1 609 . 1 1 55 55 ARG HB2 H 1 1.955 0.02 . 2 . . . . 55 ARG HB2 . 26807 1 610 . 1 1 55 55 ARG HB3 H 1 1.864 0.02 . 2 . . . . 55 ARG HB3 . 26807 1 611 . 1 1 55 55 ARG HG2 H 1 1.680 0.02 . 2 . . . . 55 ARG HG2 . 26807 1 612 . 1 1 55 55 ARG HG3 H 1 1.854 0.02 . 2 . . . . 55 ARG HG3 . 26807 1 613 . 1 1 55 55 ARG HD2 H 1 3.198 0.02 . 2 . . . . 55 ARG HD2 . 26807 1 614 . 1 1 55 55 ARG HD3 H 1 3.198 0.02 . 2 . . . . 55 ARG HD3 . 26807 1 615 . 1 1 55 55 ARG HE H 1 7.257 0.02 . 1 . . . . 55 ARG HE . 26807 1 616 . 1 1 55 55 ARG C C 13 178.212 0.30 . 1 . . . . 55 ARG C . 26807 1 617 . 1 1 55 55 ARG CA C 13 58.518 0.30 . 1 . . . . 55 ARG CA . 26807 1 618 . 1 1 55 55 ARG CB C 13 29.804 0.30 . 1 . . . . 55 ARG CB . 26807 1 619 . 1 1 55 55 ARG CG C 13 27.642 0.30 . 1 . . . . 55 ARG CG . 26807 1 620 . 1 1 55 55 ARG CD C 13 43.547 0.30 . 1 . . . . 55 ARG CD . 26807 1 621 . 1 1 55 55 ARG N N 15 118.107 0.20 . 1 . . . . 55 ARG N . 26807 1 622 . 1 1 55 55 ARG NE N 15 84.470 0.20 . 1 . . . . 55 ARG NE . 26807 1 623 . 1 1 56 56 THR H H 1 7.807 0.02 . 1 . . . . 56 THR H . 26807 1 624 . 1 1 56 56 THR HA H 1 4.120 0.02 . 1 . . . . 56 THR HA . 26807 1 625 . 1 1 56 56 THR HB H 1 4.174 0.02 . 1 . . . . 56 THR HB . 26807 1 626 . 1 1 56 56 THR HG21 H 1 1.197 0.02 . 1 . . . . 56 THR HG21 . 26807 1 627 . 1 1 56 56 THR HG22 H 1 1.197 0.02 . 1 . . . . 56 THR HG21 . 26807 1 628 . 1 1 56 56 THR HG23 H 1 1.197 0.02 . 1 . . . . 56 THR HG21 . 26807 1 629 . 1 1 56 56 THR C C 13 175.747 0.30 . 1 . . . . 56 THR C . 26807 1 630 . 1 1 56 56 THR CA C 13 64.126 0.30 . 1 . . . . 56 THR CA . 26807 1 631 . 1 1 56 56 THR CB C 13 69.513 0.30 . 1 . . . . 56 THR CB . 26807 1 632 . 1 1 56 56 THR CG2 C 13 21.229 0.30 . 1 . . . . 56 THR CG2 . 26807 1 633 . 1 1 56 56 THR N N 15 110.011 0.20 . 1 . . . . 56 THR N . 26807 1 634 . 1 1 57 57 HIS H H 1 7.357 0.02 . 1 . . . . 57 HIS H . 26807 1 635 . 1 1 57 57 HIS HA H 1 4.835 0.02 . 1 . . . . 57 HIS HA . 26807 1 636 . 1 1 57 57 HIS HB2 H 1 3.280 0.02 . 2 . . . . 57 HIS HB2 . 26807 1 637 . 1 1 57 57 HIS HB3 H 1 3.201 0.02 . 2 . . . . 57 HIS HB3 . 26807 1 638 . 1 1 57 57 HIS C C 13 175.698 0.30 . 1 . . . . 57 HIS C . 26807 1 639 . 1 1 57 57 HIS CA C 13 55.890 0.30 . 1 . . . . 57 HIS CA . 26807 1 640 . 1 1 57 57 HIS CB C 13 28.344 0.30 . 1 . . . . 57 HIS CB . 26807 1 641 . 1 1 57 57 HIS N N 15 118.742 0.20 . 1 . . . . 57 HIS N . 26807 1 642 . 1 1 58 58 THR H H 1 7.815 0.02 . 1 . . . . 58 THR H . 26807 1 643 . 1 1 58 58 THR HA H 1 4.283 0.02 . 1 . . . . 58 THR HA . 26807 1 644 . 1 1 58 58 THR HB H 1 4.316 0.02 . 1 . . . . 58 THR HB . 26807 1 645 . 1 1 58 58 THR HG21 H 1 1.215 0.02 . 1 . . . . 58 THR HG21 . 26807 1 646 . 1 1 58 58 THR HG22 H 1 1.215 0.02 . 1 . . . . 58 THR HG21 . 26807 1 647 . 1 1 58 58 THR HG23 H 1 1.215 0.02 . 1 . . . . 58 THR HG21 . 26807 1 648 . 1 1 58 58 THR C C 13 175.291 0.30 . 1 . . . . 58 THR C . 26807 1 649 . 1 1 58 58 THR CA C 13 62.889 0.30 . 1 . . . . 58 THR CA . 26807 1 650 . 1 1 58 58 THR CB C 13 69.844 0.30 . 1 . . . . 58 THR CB . 26807 1 651 . 1 1 58 58 THR CG2 C 13 21.553 0.30 . 1 . . . . 58 THR CG2 . 26807 1 652 . 1 1 58 58 THR N N 15 113.430 0.20 . 1 . . . . 58 THR N . 26807 1 653 . 1 1 59 59 GLY H H 1 8.409 0.02 . 1 . . . . 59 GLY H . 26807 1 654 . 1 1 59 59 GLY HA2 H 1 3.934 0.02 . 2 . . . . 59 GLY HA2 . 26807 1 655 . 1 1 59 59 GLY HA3 H 1 4.008 0.02 . 2 . . . . 59 GLY HA3 . 26807 1 656 . 1 1 59 59 GLY C C 13 174.058 0.30 . 1 . . . . 59 GLY C . 26807 1 657 . 1 1 59 59 GLY CA C 13 45.180 0.30 . 1 . . . . 59 GLY CA . 26807 1 658 . 1 1 59 59 GLY N N 15 111.232 0.20 . 1 . . . . 59 GLY N . 26807 1 659 . 1 1 60 60 GLU H H 1 8.042 0.02 . 1 . . . . 60 GLU H . 26807 1 660 . 1 1 60 60 GLU HA H 1 4.171 0.02 . 1 . . . . 60 GLU HA . 26807 1 661 . 1 1 60 60 GLU HB2 H 1 1.957 0.02 . 2 . . . . 60 GLU HB2 . 26807 1 662 . 1 1 60 60 GLU HB3 H 1 1.957 0.02 . 2 . . . . 60 GLU HB3 . 26807 1 663 . 1 1 60 60 GLU HG2 H 1 2.300 0.02 . 2 . . . . 60 GLU HG2 . 26807 1 664 . 1 1 60 60 GLU HG3 H 1 2.246 0.02 . 2 . . . . 60 GLU HG3 . 26807 1 665 . 1 1 60 60 GLU C C 13 176.642 0.30 . 1 . . . . 60 GLU C . 26807 1 666 . 1 1 60 60 GLU CA C 13 57.085 0.30 . 1 . . . . 60 GLU CA . 26807 1 667 . 1 1 60 60 GLU CB C 13 29.735 0.30 . 1 . . . . 60 GLU CB . 26807 1 668 . 1 1 60 60 GLU CG C 13 36.122 0.30 . 1 . . . . 60 GLU CG . 26807 1 669 . 1 1 60 60 GLU N N 15 120.145 0.20 . 1 . . . . 60 GLU N . 26807 1 670 . 1 1 61 61 LYS H H 1 8.370 0.02 . 1 . . . . 61 LYS H . 26807 1 671 . 1 1 61 61 LYS HA H 1 4.547 0.02 . 1 . . . . 61 LYS HA . 26807 1 672 . 1 1 61 61 LYS HB2 H 1 1.348 0.02 . 2 . . . . 61 LYS HB2 . 26807 1 673 . 1 1 61 61 LYS HB3 H 1 1.602 0.02 . 2 . . . . 61 LYS HB3 . 26807 1 674 . 1 1 61 61 LYS HG2 H 1 1.115 0.02 . 2 . . . . 61 LYS HG2 . 26807 1 675 . 1 1 61 61 LYS HG3 H 1 1.381 0.02 . 2 . . . . 61 LYS HG3 . 26807 1 676 . 1 1 61 61 LYS HD2 H 1 1.495 0.02 . 2 . . . . 61 LYS HD2 . 26807 1 677 . 1 1 61 61 LYS HD3 H 1 1.495 0.02 . 2 . . . . 61 LYS HD3 . 26807 1 678 . 1 1 61 61 LYS HE2 H 1 2.922 0.02 . 2 . . . . 61 LYS HE2 . 26807 1 679 . 1 1 61 61 LYS HE3 H 1 2.922 0.02 . 2 . . . . 61 LYS HE3 . 26807 1 680 . 1 1 61 61 LYS C C 13 174.121 0.30 . 1 . . . . 61 LYS C . 26807 1 681 . 1 1 61 61 LYS CA C 13 53.878 0.30 . 1 . . . . 61 LYS CA . 26807 1 682 . 1 1 61 61 LYS CB C 13 33.540 0.30 . 1 . . . . 61 LYS CB . 26807 1 683 . 1 1 61 61 LYS CG C 13 25.180 0.30 . 1 . . . . 61 LYS CG . 26807 1 684 . 1 1 61 61 LYS CD C 13 29.736 0.30 . 1 . . . . 61 LYS CD . 26807 1 685 . 1 1 61 61 LYS CE C 13 42.459 0.30 . 1 . . . . 61 LYS CE . 26807 1 686 . 1 1 61 61 LYS N N 15 121.879 0.20 . 1 . . . . 61 LYS N . 26807 1 687 . 1 1 61 61 LYS NZ N 15 32.771 0.20 . 1 . . . . 61 LYS NZ . 26807 1 688 . 1 1 62 62 PRO HA H 1 4.251 0.02 . 1 . . . . 62 PRO HA . 26807 1 689 . 1 1 62 62 PRO HB2 H 1 2.019 0.02 . 2 . . . . 62 PRO HB2 . 26807 1 690 . 1 1 62 62 PRO HB3 H 1 1.099 0.02 . 2 . . . . 62 PRO HB3 . 26807 1 691 . 1 1 62 62 PRO HG2 H 1 1.464 0.02 . 2 . . . . 62 PRO HG2 . 26807 1 692 . 1 1 62 62 PRO HG3 H 1 1.717 0.02 . 2 . . . . 62 PRO HG3 . 26807 1 693 . 1 1 62 62 PRO HD2 H 1 3.737 0.02 . 2 . . . . 62 PRO HD2 . 26807 1 694 . 1 1 62 62 PRO HD3 H 1 3.601 0.02 . 2 . . . . 62 PRO HD3 . 26807 1 695 . 1 1 62 62 PRO C C 13 176.541 0.30 . 1 . . . . 62 PRO C . 26807 1 696 . 1 1 62 62 PRO CA C 13 63.605 0.30 . 1 . . . . 62 PRO CA . 26807 1 697 . 1 1 62 62 PRO CB C 13 32.238 0.30 . 1 . . . . 62 PRO CB . 26807 1 698 . 1 1 62 62 PRO CG C 13 26.247 0.30 . 1 . . . . 62 PRO CG . 26807 1 699 . 1 1 62 62 PRO CD C 13 50.125 0.30 . 1 . . . . 62 PRO CD . 26807 1 700 . 1 1 63 63 PHE H H 1 7.943 0.02 . 1 . . . . 63 PHE H . 26807 1 701 . 1 1 63 63 PHE HA H 1 4.660 0.02 . 1 . . . . 63 PHE HA . 26807 1 702 . 1 1 63 63 PHE HB2 H 1 2.917 0.02 . 2 . . . . 63 PHE HB2 . 26807 1 703 . 1 1 63 63 PHE HB3 H 1 2.704 0.02 . 2 . . . . 63 PHE HB3 . 26807 1 704 . 1 1 63 63 PHE C C 13 174.496 0.30 . 1 . . . . 63 PHE C . 26807 1 705 . 1 1 63 63 PHE CA C 13 57.336 0.30 . 1 . . . . 63 PHE CA . 26807 1 706 . 1 1 63 63 PHE CB C 13 39.610 0.30 . 1 . . . . 63 PHE CB . 26807 1 707 . 1 1 63 63 PHE N N 15 117.312 0.20 . 1 . . . . 63 PHE N . 26807 1 708 . 1 1 64 64 ALA H H 1 8.980 0.02 . 1 . . . . 64 ALA H . 26807 1 709 . 1 1 64 64 ALA HA H 1 5.286 0.02 . 1 . . . . 64 ALA HA . 26807 1 710 . 1 1 64 64 ALA C C 13 177.790 0.30 . 1 . . . . 64 ALA C . 26807 1 711 . 1 1 64 64 ALA CA C 13 50.684 0.30 . 1 . . . . 64 ALA CA . 26807 1 712 . 1 1 64 64 ALA CB C 13 21.436 0.30 . 1 . . . . 64 ALA CB . 26807 1 713 . 1 1 64 64 ALA N N 15 126.617 0.20 . 1 . . . . 64 ALA N . 26807 1 714 . 1 1 65 65 CYS H H 1 9.350 0.02 . 1 . . . . 65 CYS H . 26807 1 715 . 1 1 65 65 CYS HA H 1 4.572 0.02 . 1 . . . . 65 CYS HA . 26807 1 716 . 1 1 65 65 CYS HB2 H 1 3.431 0.02 . 2 . . . . 65 CYS HB2 . 26807 1 717 . 1 1 65 65 CYS HB3 H 1 2.935 0.02 . 2 . . . . 65 CYS HB3 . 26807 1 718 . 1 1 65 65 CYS C C 13 176.931 0.30 . 1 . . . . 65 CYS C . 26807 1 719 . 1 1 65 65 CYS CA C 13 59.475 0.30 . 1 . . . . 65 CYS CA . 26807 1 720 . 1 1 65 65 CYS CB C 13 30.332 0.30 . 1 . . . . 65 CYS CB . 26807 1 721 . 1 1 65 65 CYS N N 15 124.980 0.20 . 1 . . . . 65 CYS N . 26807 1 722 . 1 1 66 66 ASP H H 1 9.409 0.02 . 1 . . . . 66 ASP H . 26807 1 723 . 1 1 66 66 ASP HA H 1 4.446 0.02 . 1 . . . . 66 ASP HA . 26807 1 724 . 1 1 66 66 ASP HB2 H 1 2.777 0.02 . 2 . . . . 66 ASP HB2 . 26807 1 725 . 1 1 66 66 ASP HB3 H 1 2.708 0.02 . 2 . . . . 66 ASP HB3 . 26807 1 726 . 1 1 66 66 ASP C C 13 175.731 0.30 . 1 . . . . 66 ASP C . 26807 1 727 . 1 1 66 66 ASP CA C 13 56.488 0.30 . 1 . . . . 66 ASP CA . 26807 1 728 . 1 1 66 66 ASP CB C 13 40.521 0.30 . 1 . . . . 66 ASP CB . 26807 1 729 . 1 1 66 66 ASP N N 15 131.410 0.20 . 1 . . . . 66 ASP N . 26807 1 730 . 1 1 67 67 ILE H H 1 8.766 0.02 . 1 . . . . 67 ILE H . 26807 1 731 . 1 1 67 67 ILE HA H 1 3.895 0.02 . 1 . . . . 67 ILE HA . 26807 1 732 . 1 1 67 67 ILE HB H 1 1.137 0.02 . 1 . . . . 67 ILE HB . 26807 1 733 . 1 1 67 67 ILE HG12 H 1 1.095 0.02 . 2 . . . . 67 ILE HG12 . 26807 1 734 . 1 1 67 67 ILE HG13 H 1 1.411 0.02 . 2 . . . . 67 ILE HG13 . 26807 1 735 . 1 1 67 67 ILE C C 13 177.009 0.30 . 1 . . . . 67 ILE C . 26807 1 736 . 1 1 67 67 ILE CA C 13 63.315 0.30 . 1 . . . . 67 ILE CA . 26807 1 737 . 1 1 67 67 ILE CB C 13 38.284 0.30 . 1 . . . . 67 ILE CB . 26807 1 738 . 1 1 67 67 ILE CG1 C 13 27.947 0.30 . 1 . . . . 67 ILE CG1 . 26807 1 739 . 1 1 67 67 ILE CG2 C 13 16.049 0.30 . 1 . . . . 67 ILE CG2 . 26807 1 740 . 1 1 67 67 ILE CD1 C 13 12.083 0.30 . 1 . . . . 67 ILE CD1 . 26807 1 741 . 1 1 67 67 ILE N N 15 121.586 0.20 . 1 . . . . 67 ILE N . 26807 1 742 . 1 1 68 68 CYS H H 1 8.187 0.02 . 1 . . . . 68 CYS H . 26807 1 743 . 1 1 68 68 CYS HA H 1 5.148 0.02 . 1 . . . . 68 CYS HA . 26807 1 744 . 1 1 68 68 CYS HB2 H 1 3.481 0.02 . 1 . . . . 68 CYS HB2 . 26807 1 745 . 1 1 68 68 CYS HB3 H 1 2.804 0.02 . 1 . . . . 68 CYS HB3 . 26807 1 746 . 1 1 68 68 CYS C C 13 176.579 0.30 . 1 . . . . 68 CYS C . 26807 1 747 . 1 1 68 68 CYS CA C 13 58.195 0.30 . 1 . . . . 68 CYS CA . 26807 1 748 . 1 1 68 68 CYS CB C 13 32.486 0.30 . 1 . . . . 68 CYS CB . 26807 1 749 . 1 1 68 68 CYS N N 15 116.287 0.20 . 1 . . . . 68 CYS N . 26807 1 750 . 1 1 69 69 GLY H H 1 7.959 0.02 . 1 . . . . 69 GLY H . 26807 1 751 . 1 1 69 69 GLY HA2 H 1 4.258 0.02 . 2 . . . . 69 GLY HA2 . 26807 1 752 . 1 1 69 69 GLY HA3 H 1 3.870 0.02 . 2 . . . . 69 GLY HA3 . 26807 1 753 . 1 1 69 69 GLY C C 13 173.863 0.30 . 1 . . . . 69 GLY C . 26807 1 754 . 1 1 69 69 GLY CA C 13 46.076 0.30 . 1 . . . . 69 GLY CA . 26807 1 755 . 1 1 69 69 GLY N N 15 113.039 0.20 . 1 . . . . 69 GLY N . 26807 1 756 . 1 1 70 70 ARG H H 1 8.089 0.02 . 1 . . . . 70 ARG H . 26807 1 757 . 1 1 70 70 ARG HA H 1 3.937 0.02 . 1 . . . . 70 ARG HA . 26807 1 758 . 1 1 70 70 ARG HB2 H 1 1.486 0.02 . 2 . . . . 70 ARG HB2 . 26807 1 759 . 1 1 70 70 ARG HB3 H 1 1.202 0.02 . 2 . . . . 70 ARG HB3 . 26807 1 760 . 1 1 70 70 ARG HG2 H 1 1.680 0.02 . 2 . . . . 70 ARG HG2 . 26807 1 761 . 1 1 70 70 ARG HG3 H 1 1.209 0.02 . 2 . . . . 70 ARG HG3 . 26807 1 762 . 1 1 70 70 ARG HD2 H 1 3.051 0.02 . 2 . . . . 70 ARG HD2 . 26807 1 763 . 1 1 70 70 ARG HD3 H 1 2.839 0.02 . 2 . . . . 70 ARG HD3 . 26807 1 764 . 1 1 70 70 ARG HE H 1 7.115 0.02 . 1 . . . . 70 ARG HE . 26807 1 765 . 1 1 70 70 ARG C C 13 174.277 0.30 . 1 . . . . 70 ARG C . 26807 1 766 . 1 1 70 70 ARG CA C 13 58.123 0.30 . 1 . . . . 70 ARG CA . 26807 1 767 . 1 1 70 70 ARG CB C 13 30.777 0.30 . 1 . . . . 70 ARG CB . 26807 1 768 . 1 1 70 70 ARG CG C 13 27.781 0.30 . 1 . . . . 70 ARG CG . 26807 1 769 . 1 1 70 70 ARG CD C 13 43.478 0.30 . 1 . . . . 70 ARG CD . 26807 1 770 . 1 1 70 70 ARG N N 15 122.820 0.20 . 1 . . . . 70 ARG N . 26807 1 771 . 1 1 70 70 ARG NE N 15 84.698 0.20 . 1 . . . . 70 ARG NE . 26807 1 772 . 1 1 71 71 LYS H H 1 7.895 0.02 . 1 . . . . 71 LYS H . 26807 1 773 . 1 1 71 71 LYS HA H 1 4.819 0.02 . 1 . . . . 71 LYS HA . 26807 1 774 . 1 1 71 71 LYS HB2 H 1 1.780 0.02 . 2 . . . . 71 LYS HB2 . 26807 1 775 . 1 1 71 71 LYS HB3 H 1 1.458 0.02 . 2 . . . . 71 LYS HB3 . 26807 1 776 . 1 1 71 71 LYS HG2 H 1 1.201 0.02 . 2 . . . . 71 LYS HG2 . 26807 1 777 . 1 1 71 71 LYS HG3 H 1 1.530 0.02 . 2 . . . . 71 LYS HG3 . 26807 1 778 . 1 1 71 71 LYS HD2 H 1 1.587 0.02 . 2 . . . . 71 LYS HD2 . 26807 1 779 . 1 1 71 71 LYS HD3 H 1 1.666 0.02 . 2 . . . . 71 LYS HD3 . 26807 1 780 . 1 1 71 71 LYS HE2 H 1 2.959 0.02 . 2 . . . . 71 LYS HE2 . 26807 1 781 . 1 1 71 71 LYS HE3 H 1 2.959 0.02 . 2 . . . . 71 LYS HE3 . 26807 1 782 . 1 1 71 71 LYS C C 13 175.713 0.30 . 1 . . . . 71 LYS C . 26807 1 783 . 1 1 71 71 LYS CA C 13 55.183 0.30 . 1 . . . . 71 LYS CA . 26807 1 784 . 1 1 71 71 LYS CB C 13 34.810 0.30 . 1 . . . . 71 LYS CB . 26807 1 785 . 1 1 71 71 LYS CG C 13 25.003 0.30 . 1 . . . . 71 LYS CG . 26807 1 786 . 1 1 71 71 LYS CD C 13 28.892 0.30 . 1 . . . . 71 LYS CD . 26807 1 787 . 1 1 71 71 LYS CE C 13 42.158 0.30 . 1 . . . . 71 LYS CE . 26807 1 788 . 1 1 71 71 LYS N N 15 120.476 0.20 . 1 . . . . 71 LYS N . 26807 1 789 . 1 1 71 71 LYS NZ N 15 32.311 0.20 . 1 . . . . 71 LYS NZ . 26807 1 790 . 1 1 72 72 PHE H H 1 8.647 0.02 . 1 . . . . 72 PHE H . 26807 1 791 . 1 1 72 72 PHE HA H 1 4.634 0.02 . 1 . . . . 72 PHE HA . 26807 1 792 . 1 1 72 72 PHE HB2 H 1 3.444 0.02 . 2 . . . . 72 PHE HB2 . 26807 1 793 . 1 1 72 72 PHE HB3 H 1 2.717 0.02 . 2 . . . . 72 PHE HB3 . 26807 1 794 . 1 1 72 72 PHE C C 13 174.855 0.30 . 1 . . . . 72 PHE C . 26807 1 795 . 1 1 72 72 PHE CA C 13 57.171 0.30 . 1 . . . . 72 PHE CA . 26807 1 796 . 1 1 72 72 PHE CB C 13 43.255 0.30 . 1 . . . . 72 PHE CB . 26807 1 797 . 1 1 72 72 PHE N N 15 117.288 0.20 . 1 . . . . 72 PHE N . 26807 1 798 . 1 1 73 73 ALA H H 1 9.233 0.02 . 1 . . . . 73 ALA H . 26807 1 799 . 1 1 73 73 ALA HA H 1 4.572 0.02 . 1 . . . . 73 ALA HA . 26807 1 800 . 1 1 73 73 ALA C C 13 177.694 0.30 . 1 . . . . 73 ALA C . 26807 1 801 . 1 1 73 73 ALA CA C 13 54.184 0.30 . 1 . . . . 73 ALA CA . 26807 1 802 . 1 1 73 73 ALA CB C 13 19.812 0.30 . 1 . . . . 73 ALA CB . 26807 1 803 . 1 1 73 73 ALA N N 15 123.515 0.20 . 1 . . . . 73 ALA N . 26807 1 804 . 1 1 74 74 ARG H H 1 7.696 0.02 . 1 . . . . 74 ARG H . 26807 1 805 . 1 1 74 74 ARG HA H 1 4.830 0.02 . 1 . . . . 74 ARG HA . 26807 1 806 . 1 1 74 74 ARG HB2 H 1 2.158 0.02 . 2 . . . . 74 ARG HB2 . 26807 1 807 . 1 1 74 74 ARG HB3 H 1 1.662 0.02 . 2 . . . . 74 ARG HB3 . 26807 1 808 . 1 1 74 74 ARG HG2 H 1 1.643 0.02 . 2 . . . . 74 ARG HG2 . 26807 1 809 . 1 1 74 74 ARG HG3 H 1 1.643 0.02 . 2 . . . . 74 ARG HG3 . 26807 1 810 . 1 1 74 74 ARG HD2 H 1 3.253 0.02 . 2 . . . . 74 ARG HD2 . 26807 1 811 . 1 1 74 74 ARG HD3 H 1 3.327 0.02 . 2 . . . . 74 ARG HD3 . 26807 1 812 . 1 1 74 74 ARG HE H 1 7.966 0.02 . 1 . . . . 74 ARG HE . 26807 1 813 . 1 1 74 74 ARG C C 13 176.728 0.30 . 1 . . . . 74 ARG C . 26807 1 814 . 1 1 74 74 ARG CA C 13 54.072 0.30 . 1 . . . . 74 ARG CA . 26807 1 815 . 1 1 74 74 ARG CB C 13 34.601 0.30 . 1 . . . . 74 ARG CB . 26807 1 816 . 1 1 74 74 ARG CG C 13 27.225 0.30 . 1 . . . . 74 ARG CG . 26807 1 817 . 1 1 74 74 ARG CD C 13 43.408 0.30 . 1 . . . . 74 ARG CD . 26807 1 818 . 1 1 74 74 ARG N N 15 112.551 0.20 . 1 . . . . 74 ARG N . 26807 1 819 . 1 1 74 74 ARG NE N 15 84.724 0.20 . 1 . . . . 74 ARG NE . 26807 1 820 . 1 1 75 75 SER H H 1 8.513 0.02 . 1 . . . . 75 SER H . 26807 1 821 . 1 1 75 75 SER HA H 1 3.042 0.02 . 1 . . . . 75 SER HA . 26807 1 822 . 1 1 75 75 SER HB2 H 1 3.243 0.02 . 2 . . . . 75 SER HB2 . 26807 1 823 . 1 1 75 75 SER HB3 H 1 3.121 0.02 . 2 . . . . 75 SER HB3 . 26807 1 824 . 1 1 75 75 SER C C 13 177.474 0.30 . 1 . . . . 75 SER C . 26807 1 825 . 1 1 75 75 SER CA C 13 60.968 0.30 . 1 . . . . 75 SER CA . 26807 1 826 . 1 1 75 75 SER CB C 13 62.058 0.30 . 1 . . . . 75 SER CB . 26807 1 827 . 1 1 75 75 SER N N 15 119.790 0.20 . 1 . . . . 75 SER N . 26807 1 828 . 1 1 76 76 ASP H H 1 8.794 0.02 . 1 . . . . 76 ASP H . 26807 1 829 . 1 1 76 76 ASP HA H 1 4.196 0.02 . 1 . . . . 76 ASP HA . 26807 1 830 . 1 1 76 76 ASP HB2 H 1 2.653 0.02 . 2 . . . . 76 ASP HB2 . 26807 1 831 . 1 1 76 76 ASP HB3 H 1 2.579 0.02 . 2 . . . . 76 ASP HB3 . 26807 1 832 . 1 1 76 76 ASP C C 13 178.571 0.30 . 1 . . . . 76 ASP C . 26807 1 833 . 1 1 76 76 ASP CA C 13 56.786 0.30 . 1 . . . . 76 ASP CA . 26807 1 834 . 1 1 76 76 ASP CB C 13 39.113 0.30 . 1 . . . . 76 ASP CB . 26807 1 835 . 1 1 76 76 ASP N N 15 120.525 0.20 . 1 . . . . 76 ASP N . 26807 1 836 . 1 1 77 77 GLU H H 1 7.021 0.02 . 1 . . . . 77 GLU H . 26807 1 837 . 1 1 77 77 GLU HA H 1 3.857 0.02 . 1 . . . . 77 GLU HA . 26807 1 838 . 1 1 77 77 GLU HB2 H 1 2.278 0.02 . 2 . . . . 77 GLU HB2 . 26807 1 839 . 1 1 77 77 GLU HB3 H 1 2.127 0.02 . 2 . . . . 77 GLU HB3 . 26807 1 840 . 1 1 77 77 GLU HG2 H 1 2.318 0.02 . 2 . . . . 77 GLU HG2 . 26807 1 841 . 1 1 77 77 GLU HG3 H 1 2.263 0.02 . 2 . . . . 77 GLU HG3 . 26807 1 842 . 1 1 77 77 GLU C C 13 178.758 0.30 . 1 . . . . 77 GLU C . 26807 1 843 . 1 1 77 77 GLU CA C 13 58.413 0.30 . 1 . . . . 77 GLU CA . 26807 1 844 . 1 1 77 77 GLU CB C 13 30.084 0.30 . 1 . . . . 77 GLU CB . 26807 1 845 . 1 1 77 77 GLU CG C 13 36.527 0.30 . 1 . . . . 77 GLU CG . 26807 1 846 . 1 1 77 77 GLU N N 15 120.853 0.20 . 1 . . . . 77 GLU N . 26807 1 847 . 1 1 78 78 ARG H H 1 7.046 0.02 . 1 . . . . 78 ARG H . 26807 1 848 . 1 1 78 78 ARG HA H 1 2.709 0.02 . 1 . . . . 78 ARG HA . 26807 1 849 . 1 1 78 78 ARG HB2 H 1 1.403 0.02 . 2 . . . . 78 ARG HB2 . 26807 1 850 . 1 1 78 78 ARG HB3 H 1 2.010 0.02 . 2 . . . . 78 ARG HB3 . 26807 1 851 . 1 1 78 78 ARG HG2 H 1 1.514 0.02 . 2 . . . . 78 ARG HG2 . 26807 1 852 . 1 1 78 78 ARG HG3 H 1 1.459 0.02 . 2 . . . . 78 ARG HG3 . 26807 1 853 . 1 1 78 78 ARG HD2 H 1 3.290 0.02 . 2 . . . . 78 ARG HD2 . 26807 1 854 . 1 1 78 78 ARG HD3 H 1 2.929 0.02 . 2 . . . . 78 ARG HD3 . 26807 1 855 . 1 1 78 78 ARG HE H 1 7.641 0.02 . 1 . . . . 78 ARG HE . 26807 1 856 . 1 1 78 78 ARG C C 13 177.728 0.30 . 1 . . . . 78 ARG C . 26807 1 857 . 1 1 78 78 ARG CA C 13 59.465 0.30 . 1 . . . . 78 ARG CA . 26807 1 858 . 1 1 78 78 ARG CB C 13 28.205 0.30 . 1 . . . . 78 ARG CB . 26807 1 859 . 1 1 78 78 ARG CG C 13 26.392 0.30 . 1 . . . . 78 ARG CG . 26807 1 860 . 1 1 78 78 ARG CD C 13 43.061 0.30 . 1 . . . . 78 ARG CD . 26807 1 861 . 1 1 78 78 ARG N N 15 120.512 0.20 . 1 . . . . 78 ARG N . 26807 1 862 . 1 1 78 78 ARG NE N 15 82.654 0.20 . 1 . . . . 78 ARG NE . 26807 1 863 . 1 1 79 79 LYS H H 1 8.103 0.02 . 1 . . . . 79 LYS H . 26807 1 864 . 1 1 79 79 LYS HA H 1 3.943 0.02 . 1 . . . . 79 LYS HA . 26807 1 865 . 1 1 79 79 LYS HB2 H 1 1.872 0.02 . 2 . . . . 79 LYS HB2 . 26807 1 866 . 1 1 79 79 LYS HB3 H 1 1.872 0.02 . 2 . . . . 79 LYS HB3 . 26807 1 867 . 1 1 79 79 LYS HG2 H 1 1.348 0.02 . 2 . . . . 79 LYS HG2 . 26807 1 868 . 1 1 79 79 LYS HG3 H 1 1.458 0.02 . 2 . . . . 79 LYS HG3 . 26807 1 869 . 1 1 79 79 LYS HD2 H 1 1.625 0.02 . 2 . . . . 79 LYS HD2 . 26807 1 870 . 1 1 79 79 LYS HD3 H 1 1.625 0.02 . 2 . . . . 79 LYS HD3 . 26807 1 871 . 1 1 79 79 LYS HE2 H 1 2.895 0.02 . 2 . . . . 79 LYS HE2 . 26807 1 872 . 1 1 79 79 LYS HE3 H 1 2.895 0.02 . 2 . . . . 79 LYS HE3 . 26807 1 873 . 1 1 79 79 LYS C C 13 179.180 0.30 . 1 . . . . 79 LYS C . 26807 1 874 . 1 1 79 79 LYS CA C 13 59.988 0.30 . 1 . . . . 79 LYS CA . 26807 1 875 . 1 1 79 79 LYS CB C 13 32.098 0.30 . 1 . . . . 79 LYS CB . 26807 1 876 . 1 1 79 79 LYS CG C 13 24.933 0.30 . 1 . . . . 79 LYS CG . 26807 1 877 . 1 1 79 79 LYS CD C 13 29.309 0.30 . 1 . . . . 79 LYS CD . 26807 1 878 . 1 1 79 79 LYS CE C 13 42.089 0.30 . 1 . . . . 79 LYS CE . 26807 1 879 . 1 1 79 79 LYS N N 15 120.512 0.20 . 1 . . . . 79 LYS N . 26807 1 880 . 1 1 79 79 LYS NZ N 15 33.112 0.20 . 1 . . . . 79 LYS NZ . 26807 1 881 . 1 1 80 80 ARG H H 1 7.683 0.02 . 1 . . . . 80 ARG H . 26807 1 882 . 1 1 80 80 ARG HA H 1 3.937 0.02 . 1 . . . . 80 ARG HA . 26807 1 883 . 1 1 80 80 ARG HB2 H 1 1.825 0.02 . 2 . . . . 80 ARG HB2 . 26807 1 884 . 1 1 80 80 ARG HB3 H 1 1.808 0.02 . 2 . . . . 80 ARG HB3 . 26807 1 885 . 1 1 80 80 ARG HG2 H 1 1.559 0.02 . 2 . . . . 80 ARG HG2 . 26807 1 886 . 1 1 80 80 ARG HG3 H 1 1.608 0.02 . 2 . . . . 80 ARG HG3 . 26807 1 887 . 1 1 80 80 ARG HD2 H 1 3.226 0.02 . 2 . . . . 80 ARG HD2 . 26807 1 888 . 1 1 80 80 ARG HD3 H 1 3.122 0.02 . 2 . . . . 80 ARG HD3 . 26807 1 889 . 1 1 80 80 ARG HE H 1 7.375 0.02 . 1 . . . . 80 ARG HE . 26807 1 890 . 1 1 80 80 ARG C C 13 178.633 0.30 . 1 . . . . 80 ARG C . 26807 1 891 . 1 1 80 80 ARG CA C 13 59.593 0.30 . 1 . . . . 80 ARG CA . 26807 1 892 . 1 1 80 80 ARG CB C 13 30.221 0.30 . 1 . . . . 80 ARG CB . 26807 1 893 . 1 1 80 80 ARG CG C 13 27.920 0.30 . 1 . . . . 80 ARG CG . 26807 1 894 . 1 1 80 80 ARG CD C 13 43.478 0.30 . 1 . . . . 80 ARG CD . 26807 1 895 . 1 1 80 80 ARG N N 15 118.411 0.20 . 1 . . . . 80 ARG N . 26807 1 896 . 1 1 80 80 ARG NE N 15 84.419 0.20 . 1 . . . . 80 ARG NE . 26807 1 897 . 1 1 81 81 HIS H H 1 7.569 0.02 . 1 . . . . 81 HIS H . 26807 1 898 . 1 1 81 81 HIS HA H 1 4.233 0.02 . 1 . . . . 81 HIS HA . 26807 1 899 . 1 1 81 81 HIS HB2 H 1 3.080 0.02 . 2 . . . . 81 HIS HB2 . 26807 1 900 . 1 1 81 81 HIS HB3 H 1 2.892 0.02 . 2 . . . . 81 HIS HB3 . 26807 1 901 . 1 1 81 81 HIS C C 13 176.410 0.30 . 1 . . . . 81 HIS C . 26807 1 902 . 1 1 81 81 HIS CA C 13 59.091 0.30 . 1 . . . . 81 HIS CA . 26807 1 903 . 1 1 81 81 HIS CB C 13 28.096 0.30 . 1 . . . . 81 HIS CB . 26807 1 904 . 1 1 81 81 HIS N N 15 118.460 0.20 . 1 . . . . 81 HIS N . 26807 1 905 . 1 1 82 82 THR H H 1 8.086 0.02 . 1 . . . . 82 THR H . 26807 1 906 . 1 1 82 82 THR HA H 1 3.694 0.02 . 1 . . . . 82 THR HA . 26807 1 907 . 1 1 82 82 THR HB H 1 4.328 0.02 . 1 . . . . 82 THR HB . 26807 1 908 . 1 1 82 82 THR HG21 H 1 1.573 0.02 . 1 . . . . 82 THR HG21 . 26807 1 909 . 1 1 82 82 THR HG22 H 1 1.573 0.02 . 1 . . . . 82 THR HG21 . 26807 1 910 . 1 1 82 82 THR HG23 H 1 1.573 0.02 . 1 . . . . 82 THR HG21 . 26807 1 911 . 1 1 82 82 THR C C 13 175.574 0.30 . 1 . . . . 82 THR C . 26807 1 912 . 1 1 82 82 THR CA C 13 66.729 0.30 . 1 . . . . 82 THR CA . 26807 1 913 . 1 1 82 82 THR CB C 13 69.679 0.30 . 1 . . . . 82 THR CB . 26807 1 914 . 1 1 82 82 THR CG2 C 13 22.125 0.30 . 1 . . . . 82 THR CG2 . 26807 1 915 . 1 1 82 82 THR N N 15 111.099 0.20 . 1 . . . . 82 THR N . 26807 1 916 . 1 1 83 83 LYS H H 1 7.031 0.02 . 1 . . . . 83 LYS H . 26807 1 917 . 1 1 83 83 LYS HA H 1 3.967 0.02 . 1 . . . . 83 LYS HA . 26807 1 918 . 1 1 83 83 LYS HB2 H 1 1.863 0.02 . 2 . . . . 83 LYS HB2 . 26807 1 919 . 1 1 83 83 LYS HB3 H 1 1.863 0.02 . 2 . . . . 83 LYS HB3 . 26807 1 920 . 1 1 83 83 LYS HG2 H 1 1.475 0.02 . 2 . . . . 83 LYS HG2 . 26807 1 921 . 1 1 83 83 LYS HG3 H 1 1.564 0.02 . 2 . . . . 83 LYS HG3 . 26807 1 922 . 1 1 83 83 LYS HD2 H 1 1.679 0.02 . 2 . . . . 83 LYS HD2 . 26807 1 923 . 1 1 83 83 LYS HD3 H 1 1.679 0.02 . 2 . . . . 83 LYS HD3 . 26807 1 924 . 1 1 83 83 LYS HE2 H 1 2.950 0.02 . 2 . . . . 83 LYS HE2 . 26807 1 925 . 1 1 83 83 LYS HE3 H 1 2.950 0.02 . 2 . . . . 83 LYS HE3 . 26807 1 926 . 1 1 83 83 LYS C C 13 178.589 0.30 . 1 . . . . 83 LYS C . 26807 1 927 . 1 1 83 83 LYS CA C 13 58.769 0.30 . 1 . . . . 83 LYS CA . 26807 1 928 . 1 1 83 83 LYS CB C 13 32.098 0.30 . 1 . . . . 83 LYS CB . 26807 1 929 . 1 1 83 83 LYS CG C 13 25.003 0.30 . 1 . . . . 83 LYS CG . 26807 1 930 . 1 1 83 83 LYS CD C 13 29.115 0.30 . 1 . . . . 83 LYS CD . 26807 1 931 . 1 1 83 83 LYS CE C 13 41.987 0.30 . 1 . . . . 83 LYS CE . 26807 1 932 . 1 1 83 83 LYS N N 15 118.875 0.20 . 1 . . . . 83 LYS N . 26807 1 933 . 1 1 83 83 LYS NZ N 15 32.845 0.20 . 1 . . . . 83 LYS NZ . 26807 1 934 . 1 1 84 84 ILE H H 1 7.781 0.02 . 1 . . . . 84 ILE H . 26807 1 935 . 1 1 84 84 ILE HA H 1 3.932 0.02 . 1 . . . . 84 ILE HA . 26807 1 936 . 1 1 84 84 ILE HB H 1 1.739 0.02 . 1 . . . . 84 ILE HB . 26807 1 937 . 1 1 84 84 ILE HG12 H 1 0.750 0.02 . 2 . . . . 84 ILE HG12 . 26807 1 938 . 1 1 84 84 ILE HG13 H 1 0.938 0.02 . 2 . . . . 84 ILE HG13 . 26807 1 939 . 1 1 84 84 ILE C C 13 177.415 0.30 . 1 . . . . 84 ILE C . 26807 1 940 . 1 1 84 84 ILE CA C 13 63.315 0.30 . 1 . . . . 84 ILE CA . 26807 1 941 . 1 1 84 84 ILE CB C 13 37.373 0.30 . 1 . . . . 84 ILE CB . 26807 1 942 . 1 1 84 84 ILE CG1 C 13 26.409 0.30 . 1 . . . . 84 ILE CG1 . 26807 1 943 . 1 1 84 84 ILE CG2 C 13 16.454 0.30 . 1 . . . . 84 ILE CG2 . 26807 1 944 . 1 1 84 84 ILE CD1 C 13 14.268 0.30 . 1 . . . . 84 ILE CD1 . 26807 1 945 . 1 1 84 84 ILE N N 15 116.276 0.20 . 1 . . . . 84 ILE N . 26807 1 946 . 1 1 85 85 HIS H H 1 7.253 0.02 . 1 . . . . 85 HIS H . 26807 1 947 . 1 1 85 85 HIS HA H 1 4.735 0.02 . 1 . . . . 85 HIS HA . 26807 1 948 . 1 1 85 85 HIS HB2 H 1 3.155 0.02 . 2 . . . . 85 HIS HB2 . 26807 1 949 . 1 1 85 85 HIS HB3 H 1 3.356 0.02 . 2 . . . . 85 HIS HB3 . 26807 1 950 . 1 1 85 85 HIS C C 13 175.073 0.30 . 1 . . . . 85 HIS C . 26807 1 951 . 1 1 85 85 HIS CA C 13 55.250 0.30 . 1 . . . . 85 HIS CA . 26807 1 952 . 1 1 85 85 HIS CB C 13 28.593 0.30 . 1 . . . . 85 HIS CB . 26807 1 953 . 1 1 85 85 HIS N N 15 116.984 0.20 . 1 . . . . 85 HIS N . 26807 1 954 . 1 1 86 86 LEU H H 1 7.510 0.02 . 1 . . . . 86 LEU H . 26807 1 955 . 1 1 86 86 LEU HA H 1 4.346 0.02 . 1 . . . . 86 LEU HA . 26807 1 956 . 1 1 86 86 LEU HB2 H 1 1.708 0.02 . 2 . . . . 86 LEU HB2 . 26807 1 957 . 1 1 86 86 LEU HB3 H 1 1.600 0.02 . 2 . . . . 86 LEU HB3 . 26807 1 958 . 1 1 86 86 LEU HG H 1 0.922 0.02 . 1 . . . . 86 LEU HG . 26807 1 959 . 1 1 86 86 LEU HD11 H 1 0.916 0.02 . 2 . . . . 86 LEU HD11 . 26807 1 960 . 1 1 86 86 LEU HD12 H 1 0.916 0.02 . 2 . . . . 86 LEU HD11 . 26807 1 961 . 1 1 86 86 LEU HD13 H 1 0.916 0.02 . 2 . . . . 86 LEU HD11 . 26807 1 962 . 1 1 86 86 LEU HD21 H 1 0.855 0.02 . 2 . . . . 86 LEU HD21 . 26807 1 963 . 1 1 86 86 LEU HD22 H 1 0.855 0.02 . 2 . . . . 86 LEU HD21 . 26807 1 964 . 1 1 86 86 LEU HD23 H 1 0.855 0.02 . 2 . . . . 86 LEU HD21 . 26807 1 965 . 1 1 86 86 LEU C C 13 177.019 0.30 . 1 . . . . 86 LEU C . 26807 1 966 . 1 1 86 86 LEU CA C 13 55.431 0.30 . 1 . . . . 86 LEU CA . 26807 1 967 . 1 1 86 86 LEU CB C 13 42.261 0.30 . 1 . . . . 86 LEU CB . 26807 1 968 . 1 1 86 86 LEU CG C 13 26.733 0.30 . 1 . . . . 86 LEU CG . 26807 1 969 . 1 1 86 86 LEU CD1 C 13 25.114 0.30 . 2 . . . . 86 LEU CD1 . 26807 1 970 . 1 1 86 86 LEU CD2 C 13 22.981 0.30 . 2 . . . . 86 LEU CD2 . 26807 1 971 . 1 1 86 86 LEU N N 15 120.303 0.20 . 1 . . . . 86 LEU N . 26807 1 972 . 1 1 87 87 ARG H H 1 8.114 0.02 . 1 . . . . 87 ARG H . 26807 1 973 . 1 1 87 87 ARG HA H 1 4.308 0.02 . 1 . . . . 87 ARG HA . 26807 1 974 . 1 1 87 87 ARG HB2 H 1 1.762 0.02 . 2 . . . . 87 ARG HB2 . 26807 1 975 . 1 1 87 87 ARG HB3 H 1 1.863 0.02 . 2 . . . . 87 ARG HB3 . 26807 1 976 . 1 1 87 87 ARG HG2 H 1 1.637 0.02 . 2 . . . . 87 ARG HG2 . 26807 1 977 . 1 1 87 87 ARG HG3 H 1 1.805 0.02 . 2 . . . . 87 ARG HG3 . 26807 1 978 . 1 1 87 87 ARG HD2 H 1 3.196 0.02 . 2 . . . . 87 ARG HD2 . 26807 1 979 . 1 1 87 87 ARG HD3 H 1 3.196 0.02 . 2 . . . . 87 ARG HD3 . 26807 1 980 . 1 1 87 87 ARG HE H 1 7.240 0.02 . 1 . . . . 87 ARG HE . 26807 1 981 . 1 1 87 87 ARG C C 13 176.119 0.30 . 1 . . . . 87 ARG C . 26807 1 982 . 1 1 87 87 ARG CA C 13 56.259 0.30 . 1 . . . . 87 ARG CA . 26807 1 983 . 1 1 87 87 ARG CB C 13 30.429 0.30 . 1 . . . . 87 ARG CB . 26807 1 984 . 1 1 87 87 ARG CG C 13 27.017 0.30 . 1 . . . . 87 ARG CG . 26807 1 985 . 1 1 87 87 ARG CD C 13 43.339 0.30 . 1 . . . . 87 ARG CD . 26807 1 986 . 1 1 87 87 ARG N N 15 120.865 0.20 . 1 . . . . 87 ARG N . 26807 1 987 . 1 1 87 87 ARG NE N 15 84.769 0.20 . 1 . . . . 87 ARG NE . 26807 1 988 . 1 1 88 88 GLN H H 1 8.350 0.02 . 1 . . . . 88 GLN H . 26807 1 989 . 1 1 88 88 GLN HA H 1 4.321 0.02 . 1 . . . . 88 GLN HA . 26807 1 990 . 1 1 88 88 GLN HB2 H 1 2.102 0.02 . 2 . . . . 88 GLN HB2 . 26807 1 991 . 1 1 88 88 GLN HB3 H 1 2.000 0.02 . 2 . . . . 88 GLN HB3 . 26807 1 992 . 1 1 88 88 GLN HG2 H 1 2.376 0.02 . 2 . . . . 88 GLN HG2 . 26807 1 993 . 1 1 88 88 GLN HG3 H 1 2.376 0.02 . 2 . . . . 88 GLN HG3 . 26807 1 994 . 1 1 88 88 GLN HE21 H 1 6.825 0.02 . 2 . . . . 88 GLN HE21 . 26807 1 995 . 1 1 88 88 GLN HE22 H 1 7.619 0.02 . 2 . . . . 88 GLN HE22 . 26807 1 996 . 1 1 88 88 GLN C C 13 175.510 0.30 . 1 . . . . 88 GLN C . 26807 1 997 . 1 1 88 88 GLN CA C 13 56.011 0.30 . 1 . . . . 88 GLN CA . 26807 1 998 . 1 1 88 88 GLN CB C 13 29.421 0.30 . 1 . . . . 88 GLN CB . 26807 1 999 . 1 1 88 88 GLN CG C 13 33.613 0.30 . 1 . . . . 88 GLN CG . 26807 1 1000 . 1 1 88 88 GLN N N 15 121.806 0.20 . 1 . . . . 88 GLN N . 26807 1 1001 . 1 1 88 88 GLN NE2 N 15 112.885 0.20 . 1 . . . . 88 GLN NE2 . 26807 1 1002 . 1 1 89 89 LYS H H 1 8.331 0.02 . 1 . . . . 89 LYS H . 26807 1 1003 . 1 1 89 89 LYS HA H 1 4.326 0.02 . 1 . . . . 89 LYS HA . 26807 1 1004 . 1 1 89 89 LYS HB2 H 1 1.871 0.02 . 2 . . . . 89 LYS HB2 . 26807 1 1005 . 1 1 89 89 LYS HB3 H 1 1.771 0.02 . 2 . . . . 89 LYS HB3 . 26807 1 1006 . 1 1 89 89 LYS HG2 H 1 1.406 0.02 . 2 . . . . 89 LYS HG2 . 26807 1 1007 . 1 1 89 89 LYS HG3 H 1 1.406 0.02 . 2 . . . . 89 LYS HG3 . 26807 1 1008 . 1 1 89 89 LYS HD2 H 1 1.680 0.02 . 2 . . . . 89 LYS HD2 . 26807 1 1009 . 1 1 89 89 LYS HD3 H 1 1.680 0.02 . 2 . . . . 89 LYS HD3 . 26807 1 1010 . 1 1 89 89 LYS HE2 H 1 2.996 0.02 . 2 . . . . 89 LYS HE2 . 26807 1 1011 . 1 1 89 89 LYS HE3 H 1 2.996 0.02 . 2 . . . . 89 LYS HE3 . 26807 1 1012 . 1 1 89 89 LYS C C 13 175.198 0.30 . 1 . . . . 89 LYS C . 26807 1 1013 . 1 1 89 89 LYS CA C 13 56.366 0.30 . 1 . . . . 89 LYS CA . 26807 1 1014 . 1 1 89 89 LYS CB C 13 33.060 0.30 . 1 . . . . 89 LYS CB . 26807 1 1015 . 1 1 89 89 LYS CG C 13 24.308 0.30 . 1 . . . . 89 LYS CG . 26807 1 1016 . 1 1 89 89 LYS CD C 13 29.031 0.30 . 1 . . . . 89 LYS CD . 26807 1 1017 . 1 1 89 89 LYS CE C 13 42.089 0.30 . 1 . . . . 89 LYS CE . 26807 1 1018 . 1 1 89 89 LYS N N 15 122.954 0.20 . 1 . . . . 89 LYS N . 26807 1 1019 . 1 1 89 89 LYS NZ N 15 32.555 0.20 . 1 . . . . 89 LYS NZ . 26807 1 1020 . 1 1 90 90 ASP H H 1 7.993 0.02 . 1 . . . . 90 ASP H . 26807 1 1021 . 1 1 90 90 ASP HA H 1 4.365 0.02 . 1 . . . . 90 ASP HA . 26807 1 1022 . 1 1 90 90 ASP HB2 H 1 2.663 0.02 . 2 . . . . 90 ASP HB2 . 26807 1 1023 . 1 1 90 90 ASP HB3 H 1 2.554 0.02 . 2 . . . . 90 ASP HB3 . 26807 1 1024 . 1 1 90 90 ASP C C 13 180.756 0.30 . 1 . . . . 90 ASP C . 26807 1 1025 . 1 1 90 90 ASP CA C 13 56.061 0.30 . 1 . . . . 90 ASP CA . 26807 1 1026 . 1 1 90 90 ASP CB C 13 42.169 0.30 . 1 . . . . 90 ASP CB . 26807 1 1027 . 1 1 90 90 ASP N N 15 127.252 0.20 . 1 . . . . 90 ASP N . 26807 1 stop_ save_