data_25575 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25575 _Entry.Title ; Structure of SAP30L corepressor protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-04-23 _Entry.Accession_date 2015-04-23 _Entry.Last_release_date 2015-11-23 _Entry.Original_release_date 2015-11-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Helena Tossavainen . . . . 25575 2 Perttu Permi . . . . 25575 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25575 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25575 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25575 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 25575 '15N chemical shifts' 64 25575 '1H chemical shifts' 484 25575 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 . . 2016-08-24 2015-04-23 update BMRB 'update entry citation' 25575 1 . . 2015-11-23 2015-04-23 original author 'original release' 25575 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N1U 'BMRB Entry Tracking System' 25575 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25575 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/pro.2849 _Citation.PubMed_ID 26609676 _Citation.Full_citation . _Citation.Title ; Redox-dependent disulfide bond formation in SAP30L corepressor protein: Implications for structure and function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue 3 _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 572 _Citation.Page_last 586 _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 Mikko Laitaoja . . . . 25575 1 2 Helena Tossavainen . . . . 25575 1 3 Tero Pihlajamaa . . . . 25575 1 4 Jarkko Valjakka . . . . 25575 1 5 Keijo Viiri . . . . 25575 1 6 Olli Lohi . . . . 25575 1 7 Perttu Permi . . . . 25575 1 8 Janne Janis . . . . 25575 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25575 _Assembly.ID 1 _Assembly.Name 'SAP30L corepressor protein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25575 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 25575 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 CYS 7 7 SG . 2 . 2 ZN 1 1 ZN . . 29 CYS SG . . 1 ZN ZN 25575 1 2 coordinate single . 1 . 1 CYS 16 16 SG . 2 . 2 ZN 1 1 ZN . . 38 CYS SG . . 1 ZN ZN 25575 1 3 coordinate single . 1 . 1 CYS 52 52 SG . 2 . 2 ZN 1 1 ZN . . 74 CYS SG . . 1 ZN ZN 25575 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25575 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSYGQSCCLIEDGERCVRPA GNASFSKRVQKSISQKKLKL DIDKSVRHLYICDFHKNFIQ SVRNKRKRKT ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8120.513 _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 23 GLY . 25575 1 2 24 SER . 25575 1 3 25 TYR . 25575 1 4 26 GLY . 25575 1 5 27 GLN . 25575 1 6 28 SER . 25575 1 7 29 CYS . 25575 1 8 30 CYS . 25575 1 9 31 LEU . 25575 1 10 32 ILE . 25575 1 11 33 GLU . 25575 1 12 34 ASP . 25575 1 13 35 GLY . 25575 1 14 36 GLU . 25575 1 15 37 ARG . 25575 1 16 38 CYS . 25575 1 17 39 VAL . 25575 1 18 40 ARG . 25575 1 19 41 PRO . 25575 1 20 42 ALA . 25575 1 21 43 GLY . 25575 1 22 44 ASN . 25575 1 23 45 ALA . 25575 1 24 46 SER . 25575 1 25 47 PHE . 25575 1 26 48 SER . 25575 1 27 49 LYS . 25575 1 28 50 ARG . 25575 1 29 51 VAL . 25575 1 30 52 GLN . 25575 1 31 53 LYS . 25575 1 32 54 SER . 25575 1 33 55 ILE . 25575 1 34 56 SER . 25575 1 35 57 GLN . 25575 1 36 58 LYS . 25575 1 37 59 LYS . 25575 1 38 60 LEU . 25575 1 39 61 LYS . 25575 1 40 62 LEU . 25575 1 41 63 ASP . 25575 1 42 64 ILE . 25575 1 43 65 ASP . 25575 1 44 66 LYS . 25575 1 45 67 SER . 25575 1 46 68 VAL . 25575 1 47 69 ARG . 25575 1 48 70 HIS . 25575 1 49 71 LEU . 25575 1 50 72 TYR . 25575 1 51 73 ILE . 25575 1 52 74 CYS . 25575 1 53 75 ASP . 25575 1 54 76 PHE . 25575 1 55 77 HIS . 25575 1 56 78 LYS . 25575 1 57 79 ASN . 25575 1 58 80 PHE . 25575 1 59 81 ILE . 25575 1 60 82 GLN . 25575 1 61 83 SER . 25575 1 62 84 VAL . 25575 1 63 85 ARG . 25575 1 64 86 ASN . 25575 1 65 87 LYS . 25575 1 66 88 ARG . 25575 1 67 89 LYS . 25575 1 68 90 ARG . 25575 1 69 91 LYS . 25575 1 70 92 THR . 25575 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25575 1 . SER 2 2 25575 1 . TYR 3 3 25575 1 . GLY 4 4 25575 1 . GLN 5 5 25575 1 . SER 6 6 25575 1 . CYS 7 7 25575 1 . CYS 8 8 25575 1 . LEU 9 9 25575 1 . ILE 10 10 25575 1 . GLU 11 11 25575 1 . ASP 12 12 25575 1 . GLY 13 13 25575 1 . GLU 14 14 25575 1 . ARG 15 15 25575 1 . CYS 16 16 25575 1 . VAL 17 17 25575 1 . ARG 18 18 25575 1 . PRO 19 19 25575 1 . ALA 20 20 25575 1 . GLY 21 21 25575 1 . ASN 22 22 25575 1 . ALA 23 23 25575 1 . SER 24 24 25575 1 . PHE 25 25 25575 1 . SER 26 26 25575 1 . LYS 27 27 25575 1 . ARG 28 28 25575 1 . VAL 29 29 25575 1 . GLN 30 30 25575 1 . LYS 31 31 25575 1 . SER 32 32 25575 1 . ILE 33 33 25575 1 . SER 34 34 25575 1 . GLN 35 35 25575 1 . LYS 36 36 25575 1 . LYS 37 37 25575 1 . LEU 38 38 25575 1 . LYS 39 39 25575 1 . LEU 40 40 25575 1 . ASP 41 41 25575 1 . ILE 42 42 25575 1 . ASP 43 43 25575 1 . LYS 44 44 25575 1 . SER 45 45 25575 1 . VAL 46 46 25575 1 . ARG 47 47 25575 1 . HIS 48 48 25575 1 . LEU 49 49 25575 1 . TYR 50 50 25575 1 . ILE 51 51 25575 1 . CYS 52 52 25575 1 . ASP 53 53 25575 1 . PHE 54 54 25575 1 . HIS 55 55 25575 1 . LYS 56 56 25575 1 . ASN 57 57 25575 1 . PHE 58 58 25575 1 . ILE 59 59 25575 1 . GLN 60 60 25575 1 . SER 61 61 25575 1 . VAL 62 62 25575 1 . ARG 63 63 25575 1 . ASN 64 64 25575 1 . LYS 65 65 25575 1 . ARG 66 66 25575 1 . LYS 67 67 25575 1 . ARG 68 68 25575 1 . LYS 69 69 25575 1 . THR 70 70 25575 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 25575 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 25575 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 25575 2 ZN 'Three letter code' 25575 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 25575 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 25575 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25575 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 25575 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T1 . . . 25575 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 25575 _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 25575 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 25575 ZN [Zn++] SMILES CACTVS 3.341 25575 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 25575 ZN [Zn+2] SMILES ACDLabs 10.04 25575 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 25575 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25575 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 25575 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25575 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 . 25575 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25575 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 25575 1 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . 0.5 . . mM . . . . 25575 1 3 BIS-TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25575 1 4 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 25575 1 5 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 25575 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 25575 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 25575 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 25575 _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 pH 6.0 . pH 25575 1 pressure 1 . atm 25575 1 temperature 273 . K 25575 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25575 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Agilent . . 25575 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25575 1 processing 25575 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25575 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25575 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25575 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25575 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25575 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25575 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25575 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25575 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID minimization 25575 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25575 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25575 _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 Varian INOVA . 800 . . . 25575 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 25575 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 12 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 1 13 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25575 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 25575 _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 na indirect 0.25144953 . . . . . 25575 1 H 1 water protons . . . . ppm 4.76 internal direct 1 . . . . . 25575 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . 25575 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 25575 _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' . . . 25575 1 2 '2D 1H-13C HSQC' . . . 25575 1 3 '3D HNCACB' . . . 25575 1 4 '3D HN(CO)CACB' . . . 25575 1 5 '3D HNCA' . . . 25575 1 6 '3D HN(CO)CA' . . . 25575 1 7 '3D C(CO)NH' . . . 25575 1 8 '3D H(CCO)NH' . . . 25575 1 9 '3D HCCH-COSY' . . . 25575 1 10 '3D 1H-15N NOESY' . . . 25575 1 11 '3D 1H-13C NOESY' . . . 25575 1 12 (HB)CB(CGCD)HD . . . 25575 1 13 (HB)CB(CGCDCE)HE . . . 25575 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 2 2 SER HA H 1 4.33 0.02 . 1 . . . A 24 SER HA . 25575 1 2 . 1 1 2 2 SER HB2 H 1 3.65 0.02 . 2 . . . A 24 SER HB2 . 25575 1 3 . 1 1 2 2 SER HB3 H 1 3.57 0.02 . 2 . . . A 24 SER HB3 . 25575 1 4 . 1 1 2 2 SER CA C 13 58.13 0.20 . 1 . . . A 24 SER CA . 25575 1 5 . 1 1 2 2 SER CB C 13 63.87 0.20 . 1 . . . A 24 SER CB . 25575 1 6 . 1 1 3 3 TYR H H 1 8.31 0.02 . 1 . . . A 25 TYR H . 25575 1 7 . 1 1 3 3 TYR HA H 1 4.53 0.02 . 1 . . . A 25 TYR HA . 25575 1 8 . 1 1 3 3 TYR HB2 H 1 3.04 0.02 . 2 . . . A 25 TYR HB2 . 25575 1 9 . 1 1 3 3 TYR HB3 H 1 2.97 0.02 . 2 . . . A 25 TYR HB3 . 25575 1 10 . 1 1 3 3 TYR HD1 H 1 7.11 0.02 . 1 . . . A 25 TYR HD1 . 25575 1 11 . 1 1 3 3 TYR HD2 H 1 7.11 0.02 . 1 . . . A 25 TYR HD2 . 25575 1 12 . 1 1 3 3 TYR HE1 H 1 6.83 0.02 . 1 . . . A 25 TYR HE1 . 25575 1 13 . 1 1 3 3 TYR HE2 H 1 6.83 0.02 . 1 . . . A 25 TYR HE2 . 25575 1 14 . 1 1 3 3 TYR CA C 13 58.42 0.20 . 1 . . . A 25 TYR CA . 25575 1 15 . 1 1 3 3 TYR CB C 13 38.57 0.20 . 1 . . . A 25 TYR CB . 25575 1 16 . 1 1 3 3 TYR CD1 C 13 133.25 0.20 . 1 . . . A 25 TYR CD1 . 25575 1 17 . 1 1 3 3 TYR CD2 C 13 133.25 0.20 . 1 . . . A 25 TYR CD2 . 25575 1 18 . 1 1 3 3 TYR CE1 C 13 118.20 0.20 . 1 . . . A 25 TYR CE1 . 25575 1 19 . 1 1 3 3 TYR CE2 C 13 118.20 0.20 . 1 . . . A 25 TYR CE2 . 25575 1 20 . 1 1 3 3 TYR N N 15 122.16 0.20 . 1 . . . A 25 TYR N . 25575 1 21 . 1 1 4 4 GLY H H 1 8.30 0.02 . 1 . . . A 26 GLY H . 25575 1 22 . 1 1 4 4 GLY HA2 H 1 3.88 0.02 . 2 . . . A 26 GLY HA2 . 25575 1 23 . 1 1 4 4 GLY HA3 H 1 3.75 0.02 . 2 . . . A 26 GLY HA3 . 25575 1 24 . 1 1 4 4 GLY CA C 13 45.33 0.20 . 1 . . . A 26 GLY CA . 25575 1 25 . 1 1 4 4 GLY N N 15 111.37 0.20 . 1 . . . A 26 GLY N . 25575 1 26 . 1 1 5 5 GLN H H 1 8.05 0.02 . 1 . . . A 27 GLN H . 25575 1 27 . 1 1 5 5 GLN HA H 1 4.51 0.02 . 1 . . . A 27 GLN HA . 25575 1 28 . 1 1 5 5 GLN HB2 H 1 1.86 0.02 . 2 . . . A 27 GLN HB2 . 25575 1 29 . 1 1 5 5 GLN HB3 H 1 1.75 0.02 . 2 . . . A 27 GLN HB3 . 25575 1 30 . 1 1 5 5 GLN HG2 H 1 2.09 0.02 . 2 . . . A 27 GLN HG2 . 25575 1 31 . 1 1 5 5 GLN HG3 H 1 2.09 0.02 . 2 . . . A 27 GLN HG3 . 25575 1 32 . 1 1 5 5 GLN CA C 13 55.24 0.20 . 1 . . . A 27 GLN CA . 25575 1 33 . 1 1 5 5 GLN CB C 13 29.80 0.20 . 1 . . . A 27 GLN CB . 25575 1 34 . 1 1 5 5 GLN CG C 13 33.60 0.20 . 1 . . . A 27 GLN CG . 25575 1 35 . 1 1 5 5 GLN N N 15 118.91 0.20 . 1 . . . A 27 GLN N . 25575 1 36 . 1 1 6 6 SER H H 1 8.80 0.02 . 1 . . . A 28 SER H . 25575 1 37 . 1 1 6 6 SER HA H 1 4.81 0.02 . 1 . . . A 28 SER HA . 25575 1 38 . 1 1 6 6 SER HB2 H 1 3.84 0.02 . 2 . . . A 28 SER HB2 . 25575 1 39 . 1 1 6 6 SER HB3 H 1 3.84 0.02 . 2 . . . A 28 SER HB3 . 25575 1 40 . 1 1 6 6 SER CA C 13 57.71 0.20 . 1 . . . A 28 SER CA . 25575 1 41 . 1 1 6 6 SER CB C 13 65.53 0.20 . 1 . . . A 28 SER CB . 25575 1 42 . 1 1 6 6 SER N N 15 119.46 0.20 . 1 . . . A 28 SER N . 25575 1 43 . 1 1 7 7 CYS H H 1 8.39 0.02 . 1 . . . A 29 CYS H . 25575 1 44 . 1 1 7 7 CYS HA H 1 4.13 0.02 . 1 . . . A 29 CYS HA . 25575 1 45 . 1 1 7 7 CYS HB2 H 1 3.18 0.02 . 2 . . . A 29 CYS HB2 . 25575 1 46 . 1 1 7 7 CYS HB3 H 1 2.93 0.02 . 2 . . . A 29 CYS HB3 . 25575 1 47 . 1 1 7 7 CYS CA C 13 60.62 0.20 . 1 . . . A 29 CYS CA . 25575 1 48 . 1 1 7 7 CYS CB C 13 32.77 0.20 . 1 . . . A 29 CYS CB . 25575 1 49 . 1 1 7 7 CYS N N 15 122.16 0.20 . 1 . . . A 29 CYS N . 25575 1 50 . 1 1 8 8 CYS H H 1 8.34 0.02 . 1 . . . A 30 CYS H . 25575 1 51 . 1 1 8 8 CYS HA H 1 4.53 0.02 . 1 . . . A 30 CYS HA . 25575 1 52 . 1 1 8 8 CYS HB2 H 1 2.95 0.02 . 2 . . . A 30 CYS HB2 . 25575 1 53 . 1 1 8 8 CYS HB3 H 1 2.73 0.02 . 2 . . . A 30 CYS HB3 . 25575 1 54 . 1 1 8 8 CYS CA C 13 58.81 0.20 . 1 . . . A 30 CYS CA . 25575 1 55 . 1 1 8 8 CYS CB C 13 28.91 0.20 . 1 . . . A 30 CYS CB . 25575 1 56 . 1 1 8 8 CYS N N 15 122.32 0.20 . 1 . . . A 30 CYS N . 25575 1 57 . 1 1 9 9 LEU H H 1 8.46 0.02 . 1 . . . A 31 LEU H . 25575 1 58 . 1 1 9 9 LEU HA H 1 4.64 0.02 . 1 . . . A 31 LEU HA . 25575 1 59 . 1 1 9 9 LEU HB2 H 1 1.80 0.02 . 2 . . . A 31 LEU HB2 . 25575 1 60 . 1 1 9 9 LEU HB3 H 1 0.71 0.02 . 2 . . . A 31 LEU HB3 . 25575 1 61 . 1 1 9 9 LEU HG H 1 1.71 0.02 . 1 . . . A 31 LEU HG . 25575 1 62 . 1 1 9 9 LEU HD11 H 1 0.33 0.02 . 2 . . . A 31 LEU HD11 . 25575 1 63 . 1 1 9 9 LEU HD12 H 1 0.33 0.02 . 2 . . . A 31 LEU HD12 . 25575 1 64 . 1 1 9 9 LEU HD13 H 1 0.33 0.02 . 2 . . . A 31 LEU HD13 . 25575 1 65 . 1 1 9 9 LEU HD21 H 1 0.14 0.02 . 2 . . . A 31 LEU HD21 . 25575 1 66 . 1 1 9 9 LEU HD22 H 1 0.14 0.02 . 2 . . . A 31 LEU HD22 . 25575 1 67 . 1 1 9 9 LEU HD23 H 1 0.14 0.02 . 2 . . . A 31 LEU HD23 . 25575 1 68 . 1 1 9 9 LEU CA C 13 55.44 0.20 . 1 . . . A 31 LEU CA . 25575 1 69 . 1 1 9 9 LEU CB C 13 43.49 0.20 . 1 . . . A 31 LEU CB . 25575 1 70 . 1 1 9 9 LEU CG C 13 26.72 0.20 . 1 . . . A 31 LEU CG . 25575 1 71 . 1 1 9 9 LEU CD1 C 13 26.65 0.20 . 1 . . . A 31 LEU CD1 . 25575 1 72 . 1 1 9 9 LEU CD2 C 13 22.58 0.20 . 1 . . . A 31 LEU CD2 . 25575 1 73 . 1 1 9 9 LEU N N 15 122.39 0.20 . 1 . . . A 31 LEU N . 25575 1 74 . 1 1 10 10 ILE H H 1 8.68 0.02 . 1 . . . A 32 ILE H . 25575 1 75 . 1 1 10 10 ILE HA H 1 4.20 0.02 . 1 . . . A 32 ILE HA . 25575 1 76 . 1 1 10 10 ILE HB H 1 1.36 0.02 . 1 . . . A 32 ILE HB . 25575 1 77 . 1 1 10 10 ILE HG12 H 1 1.45 0.02 . 2 . . . A 32 ILE HG12 . 25575 1 78 . 1 1 10 10 ILE HG13 H 1 0.65 0.02 . 2 . . . A 32 ILE HG13 . 25575 1 79 . 1 1 10 10 ILE HG21 H 1 0.57 0.02 . 1 . . . A 32 ILE HG21 . 25575 1 80 . 1 1 10 10 ILE HG22 H 1 0.57 0.02 . 1 . . . A 32 ILE HG22 . 25575 1 81 . 1 1 10 10 ILE HG23 H 1 0.57 0.02 . 1 . . . A 32 ILE HG23 . 25575 1 82 . 1 1 10 10 ILE HD11 H 1 0.71 0.02 . 1 . . . A 32 ILE HD11 . 25575 1 83 . 1 1 10 10 ILE HD12 H 1 0.71 0.02 . 1 . . . A 32 ILE HD12 . 25575 1 84 . 1 1 10 10 ILE HD13 H 1 0.71 0.02 . 1 . . . A 32 ILE HD13 . 25575 1 85 . 1 1 10 10 ILE CA C 13 60.44 0.20 . 1 . . . A 32 ILE CA . 25575 1 86 . 1 1 10 10 ILE CB C 13 39.89 0.20 . 1 . . . A 32 ILE CB . 25575 1 87 . 1 1 10 10 ILE CG1 C 13 28.04 0.20 . 1 . . . A 32 ILE CG1 . 25575 1 88 . 1 1 10 10 ILE CG2 C 13 17.53 0.20 . 1 . . . A 32 ILE CG2 . 25575 1 89 . 1 1 10 10 ILE CD1 C 13 13.72 0.20 . 1 . . . A 32 ILE CD1 . 25575 1 90 . 1 1 10 10 ILE N N 15 118.89 0.20 . 1 . . . A 32 ILE N . 25575 1 91 . 1 1 11 11 GLU H H 1 8.64 0.02 . 1 . . . A 33 GLU H . 25575 1 92 . 1 1 11 11 GLU HA H 1 5.08 0.02 . 1 . . . A 33 GLU HA . 25575 1 93 . 1 1 11 11 GLU HB2 H 1 2.19 0.02 . 2 . . . A 33 GLU HB2 . 25575 1 94 . 1 1 11 11 GLU HB3 H 1 1.55 0.02 . 2 . . . A 33 GLU HB3 . 25575 1 95 . 1 1 11 11 GLU HG2 H 1 2.15 0.02 . 2 . . . A 33 GLU HG2 . 25575 1 96 . 1 1 11 11 GLU HG3 H 1 2.15 0.02 . 2 . . . A 33 GLU HG3 . 25575 1 97 . 1 1 11 11 GLU CA C 13 54.12 0.20 . 1 . . . A 33 GLU CA . 25575 1 98 . 1 1 11 11 GLU CB C 13 32.08 0.20 . 1 . . . A 33 GLU CB . 25575 1 99 . 1 1 11 11 GLU CG C 13 35.71 0.20 . 1 . . . A 33 GLU CG . 25575 1 100 . 1 1 11 11 GLU N N 15 128.40 0.20 . 1 . . . A 33 GLU N . 25575 1 101 . 1 1 12 12 ASP H H 1 9.54 0.02 . 1 . . . A 34 ASP H . 25575 1 102 . 1 1 12 12 ASP HA H 1 4.31 0.02 . 1 . . . A 34 ASP HA . 25575 1 103 . 1 1 12 12 ASP HB2 H 1 3.17 0.02 . 2 . . . A 34 ASP HB2 . 25575 1 104 . 1 1 12 12 ASP HB3 H 1 2.49 0.02 . 2 . . . A 34 ASP HB3 . 25575 1 105 . 1 1 12 12 ASP CA C 13 55.15 0.20 . 1 . . . A 34 ASP CA . 25575 1 106 . 1 1 12 12 ASP CB C 13 40.05 0.20 . 1 . . . A 34 ASP CB . 25575 1 107 . 1 1 12 12 ASP N N 15 130.39 0.20 . 1 . . . A 34 ASP N . 25575 1 108 . 1 1 13 13 GLY H H 1 8.37 0.02 . 1 . . . A 35 GLY H . 25575 1 109 . 1 1 13 13 GLY HA2 H 1 4.22 0.02 . 2 . . . A 35 GLY HA2 . 25575 1 110 . 1 1 13 13 GLY HA3 H 1 3.46 0.02 . 2 . . . A 35 GLY HA3 . 25575 1 111 . 1 1 13 13 GLY CA C 13 45.48 0.20 . 1 . . . A 35 GLY CA . 25575 1 112 . 1 1 13 13 GLY N N 15 101.94 0.20 . 1 . . . A 35 GLY N . 25575 1 113 . 1 1 14 14 GLU H H 1 7.82 0.02 . 1 . . . A 36 GLU H . 25575 1 114 . 1 1 14 14 GLU HA H 1 4.67 0.02 . 1 . . . A 36 GLU HA . 25575 1 115 . 1 1 14 14 GLU HB2 H 1 2.07 0.02 . 2 . . . A 36 GLU HB2 . 25575 1 116 . 1 1 14 14 GLU HB3 H 1 1.94 0.02 . 2 . . . A 36 GLU HB3 . 25575 1 117 . 1 1 14 14 GLU HG2 H 1 2.27 0.02 . 2 . . . A 36 GLU HG2 . 25575 1 118 . 1 1 14 14 GLU HG3 H 1 2.17 0.02 . 2 . . . A 36 GLU HG3 . 25575 1 119 . 1 1 14 14 GLU CA C 13 54.35 0.20 . 1 . . . A 36 GLU CA . 25575 1 120 . 1 1 14 14 GLU CB C 13 31.63 0.20 . 1 . . . A 36 GLU CB . 25575 1 121 . 1 1 14 14 GLU CG C 13 35.66 0.20 . 1 . . . A 36 GLU CG . 25575 1 122 . 1 1 14 14 GLU N N 15 120.86 0.20 . 1 . . . A 36 GLU N . 25575 1 123 . 1 1 15 15 ARG H H 1 8.93 0.02 . 1 . . . A 37 ARG H . 25575 1 124 . 1 1 15 15 ARG HA H 1 4.20 0.02 . 1 . . . A 37 ARG HA . 25575 1 125 . 1 1 15 15 ARG HB2 H 1 1.84 0.02 . 2 . . . A 37 ARG HB2 . 25575 1 126 . 1 1 15 15 ARG HB3 H 1 1.72 0.02 . 2 . . . A 37 ARG HB3 . 25575 1 127 . 1 1 15 15 ARG HG2 H 1 1.80 0.02 . 2 . . . A 37 ARG HG2 . 25575 1 128 . 1 1 15 15 ARG HG3 H 1 1.59 0.02 . 2 . . . A 37 ARG HG3 . 25575 1 129 . 1 1 15 15 ARG HD2 H 1 3.26 0.02 . 2 . . . A 37 ARG HD2 . 25575 1 130 . 1 1 15 15 ARG HD3 H 1 3.26 0.02 . 2 . . . A 37 ARG HD3 . 25575 1 131 . 1 1 15 15 ARG HE H 1 7.51 0.02 . 1 . . . A 37 ARG HE . 25575 1 132 . 1 1 15 15 ARG CA C 13 56.44 0.20 . 1 . . . A 37 ARG CA . 25575 1 133 . 1 1 15 15 ARG CB C 13 29.71 0.20 . 1 . . . A 37 ARG CB . 25575 1 134 . 1 1 15 15 ARG CG C 13 26.16 0.20 . 1 . . . A 37 ARG CG . 25575 1 135 . 1 1 15 15 ARG CD C 13 42.50 0.20 . 1 . . . A 37 ARG CD . 25575 1 136 . 1 1 15 15 ARG N N 15 129.79 0.20 . 1 . . . A 37 ARG N . 25575 1 137 . 1 1 15 15 ARG NE N 15 84.87 0.20 . 1 . . . A 37 ARG NE . 25575 1 138 . 1 1 16 16 CYS H H 1 9.05 0.02 . 1 . . . A 38 CYS H . 25575 1 139 . 1 1 16 16 CYS HA H 1 4.45 0.02 . 1 . . . A 38 CYS HA . 25575 1 140 . 1 1 16 16 CYS HB2 H 1 3.14 0.02 . 2 . . . A 38 CYS HB2 . 25575 1 141 . 1 1 16 16 CYS HB3 H 1 2.85 0.02 . 2 . . . A 38 CYS HB3 . 25575 1 142 . 1 1 16 16 CYS CA C 13 60.56 0.20 . 1 . . . A 38 CYS CA . 25575 1 143 . 1 1 16 16 CYS CB C 13 31.25 0.20 . 1 . . . A 38 CYS CB . 25575 1 144 . 1 1 16 16 CYS N N 15 130.95 0.20 . 1 . . . A 38 CYS N . 25575 1 145 . 1 1 17 17 VAL H H 1 8.06 0.02 . 1 . . . A 39 VAL H . 25575 1 146 . 1 1 17 17 VAL HA H 1 4.71 0.02 . 1 . . . A 39 VAL HA . 25575 1 147 . 1 1 17 17 VAL HB H 1 2.52 0.02 . 1 . . . A 39 VAL HB . 25575 1 148 . 1 1 17 17 VAL HG11 H 1 0.93 0.02 . 2 . . . A 39 VAL HG11 . 25575 1 149 . 1 1 17 17 VAL HG12 H 1 0.93 0.02 . 2 . . . A 39 VAL HG12 . 25575 1 150 . 1 1 17 17 VAL HG13 H 1 0.93 0.02 . 2 . . . A 39 VAL HG13 . 25575 1 151 . 1 1 17 17 VAL HG21 H 1 0.86 0.02 . 2 . . . A 39 VAL HG21 . 25575 1 152 . 1 1 17 17 VAL HG22 H 1 0.86 0.02 . 2 . . . A 39 VAL HG22 . 25575 1 153 . 1 1 17 17 VAL HG23 H 1 0.86 0.02 . 2 . . . A 39 VAL HG23 . 25575 1 154 . 1 1 17 17 VAL CA C 13 60.34 0.20 . 1 . . . A 39 VAL CA . 25575 1 155 . 1 1 17 17 VAL CB C 13 31.29 0.20 . 1 . . . A 39 VAL CB . 25575 1 156 . 1 1 17 17 VAL CG1 C 13 21.14 0.20 . 1 . . . A 39 VAL CG1 . 25575 1 157 . 1 1 17 17 VAL CG2 C 13 17.97 0.20 . 1 . . . A 39 VAL CG2 . 25575 1 158 . 1 1 17 17 VAL N N 15 118.27 0.20 . 1 . . . A 39 VAL N . 25575 1 159 . 1 1 18 18 ARG H H 1 8.95 0.02 . 1 . . . A 40 ARG H . 25575 1 160 . 1 1 18 18 ARG HA H 1 4.43 0.02 . 1 . . . A 40 ARG HA . 25575 1 161 . 1 1 18 18 ARG HB2 H 1 2.21 0.02 . 2 . . . A 40 ARG HB2 . 25575 1 162 . 1 1 18 18 ARG HB3 H 1 1.78 0.02 . 2 . . . A 40 ARG HB3 . 25575 1 163 . 1 1 18 18 ARG HG2 H 1 1.84 0.02 . 2 . . . A 40 ARG HG2 . 25575 1 164 . 1 1 18 18 ARG HG3 H 1 1.62 0.02 . 2 . . . A 40 ARG HG3 . 25575 1 165 . 1 1 18 18 ARG HD2 H 1 3.72 0.02 . 2 . . . A 40 ARG HD2 . 25575 1 166 . 1 1 18 18 ARG HD3 H 1 3.19 0.02 . 2 . . . A 40 ARG HD3 . 25575 1 167 . 1 1 18 18 ARG HE H 1 6.82 0.02 . 1 . . . A 40 ARG HE . 25575 1 168 . 1 1 18 18 ARG CA C 13 56.15 0.20 . 1 . . . A 40 ARG CA . 25575 1 169 . 1 1 18 18 ARG CB C 13 29.21 0.20 . 1 . . . A 40 ARG CB . 25575 1 170 . 1 1 18 18 ARG CG C 13 29.75 0.20 . 1 . . . A 40 ARG CG . 25575 1 171 . 1 1 18 18 ARG CD C 13 44.20 0.20 . 1 . . . A 40 ARG CD . 25575 1 172 . 1 1 18 18 ARG N N 15 127.36 0.20 . 1 . . . A 40 ARG N . 25575 1 173 . 1 1 18 18 ARG NE N 15 85.96 0.20 . 1 . . . A 40 ARG NE . 25575 1 174 . 1 1 19 19 PRO HA H 1 4.43 0.02 . 1 . . . A 41 PRO HA . 25575 1 175 . 1 1 19 19 PRO HB2 H 1 1.83 0.02 . 2 . . . A 41 PRO HB2 . 25575 1 176 . 1 1 19 19 PRO HB3 H 1 2.29 0.02 . 2 . . . A 41 PRO HB3 . 25575 1 177 . 1 1 19 19 PRO HG2 H 1 2.11 0.02 . 2 . . . A 41 PRO HG2 . 25575 1 178 . 1 1 19 19 PRO HG3 H 1 2.03 0.02 . 2 . . . A 41 PRO HG3 . 25575 1 179 . 1 1 19 19 PRO HD2 H 1 3.83 0.02 . 2 . . . A 41 PRO HD2 . 25575 1 180 . 1 1 19 19 PRO HD3 H 1 3.68 0.02 . 2 . . . A 41 PRO HD3 . 25575 1 181 . 1 1 19 19 PRO CA C 13 62.69 0.20 . 1 . . . A 41 PRO CA . 25575 1 182 . 1 1 19 19 PRO CB C 13 32.01 0.20 . 1 . . . A 41 PRO CB . 25575 1 183 . 1 1 19 19 PRO CG C 13 27.78 0.20 . 1 . . . A 41 PRO CG . 25575 1 184 . 1 1 19 19 PRO CD C 13 50.17 0.20 . 1 . . . A 41 PRO CD . 25575 1 185 . 1 1 20 20 ALA H H 1 8.41 0.02 . 1 . . . A 42 ALA H . 25575 1 186 . 1 1 20 20 ALA HA H 1 3.62 0.02 . 1 . . . A 42 ALA HA . 25575 1 187 . 1 1 20 20 ALA HB1 H 1 1.10 0.02 . 1 . . . A 42 ALA HB1 . 25575 1 188 . 1 1 20 20 ALA HB2 H 1 1.10 0.02 . 1 . . . A 42 ALA HB2 . 25575 1 189 . 1 1 20 20 ALA HB3 H 1 1.10 0.02 . 1 . . . A 42 ALA HB3 . 25575 1 190 . 1 1 20 20 ALA CA C 13 52.93 0.20 . 1 . . . A 42 ALA CA . 25575 1 191 . 1 1 20 20 ALA CB C 13 19.13 0.20 . 1 . . . A 42 ALA CB . 25575 1 192 . 1 1 20 20 ALA N N 15 124.26 0.20 . 1 . . . A 42 ALA N . 25575 1 193 . 1 1 21 21 GLY H H 1 8.09 0.02 . 1 . . . A 43 GLY H . 25575 1 194 . 1 1 21 21 GLY HA2 H 1 4.47 0.02 . 2 . . . A 43 GLY HA2 . 25575 1 195 . 1 1 21 21 GLY HA3 H 1 3.87 0.02 . 2 . . . A 43 GLY HA3 . 25575 1 196 . 1 1 21 21 GLY CA C 13 44.24 0.20 . 1 . . . A 43 GLY CA . 25575 1 197 . 1 1 21 21 GLY N N 15 112.69 0.20 . 1 . . . A 43 GLY N . 25575 1 198 . 1 1 22 22 ASN H H 1 8.72 0.02 . 1 . . . A 44 ASN H . 25575 1 199 . 1 1 22 22 ASN HA H 1 4.69 0.02 . 1 . . . A 44 ASN HA . 25575 1 200 . 1 1 22 22 ASN HB2 H 1 2.85 0.02 . 2 . . . A 44 ASN HB2 . 25575 1 201 . 1 1 22 22 ASN HB3 H 1 2.79 0.02 . 2 . . . A 44 ASN HB3 . 25575 1 202 . 1 1 22 22 ASN CA C 13 53.42 0.20 . 1 . . . A 44 ASN CA . 25575 1 203 . 1 1 22 22 ASN CB C 13 39.37 0.20 . 1 . . . A 44 ASN CB . 25575 1 204 . 1 1 22 22 ASN N N 15 116.98 0.20 . 1 . . . A 44 ASN N . 25575 1 205 . 1 1 23 23 ALA H H 1 8.77 0.02 . 1 . . . A 45 ALA H . 25575 1 206 . 1 1 23 23 ALA HA H 1 4.64 0.02 . 1 . . . A 45 ALA HA . 25575 1 207 . 1 1 23 23 ALA HB1 H 1 1.55 0.02 . 1 . . . A 45 ALA HB1 . 25575 1 208 . 1 1 23 23 ALA HB2 H 1 1.55 0.02 . 1 . . . A 45 ALA HB2 . 25575 1 209 . 1 1 23 23 ALA HB3 H 1 1.55 0.02 . 1 . . . A 45 ALA HB3 . 25575 1 210 . 1 1 23 23 ALA CA C 13 52.24 0.20 . 1 . . . A 45 ALA CA . 25575 1 211 . 1 1 23 23 ALA CB C 13 19.54 0.20 . 1 . . . A 45 ALA CB . 25575 1 212 . 1 1 23 23 ALA N N 15 124.24 0.20 . 1 . . . A 45 ALA N . 25575 1 213 . 1 1 24 24 SER H H 1 8.06 0.02 . 1 . . . A 46 SER H . 25575 1 214 . 1 1 24 24 SER HA H 1 5.30 0.02 . 1 . . . A 46 SER HA . 25575 1 215 . 1 1 24 24 SER HB2 H 1 3.55 0.02 . 2 . . . A 46 SER HB2 . 25575 1 216 . 1 1 24 24 SER HB3 H 1 3.50 0.02 . 2 . . . A 46 SER HB3 . 25575 1 217 . 1 1 24 24 SER CA C 13 56.58 0.20 . 1 . . . A 46 SER CA . 25575 1 218 . 1 1 24 24 SER CB C 13 66.49 0.20 . 1 . . . A 46 SER CB . 25575 1 219 . 1 1 24 24 SER N N 15 111.67 0.20 . 1 . . . A 46 SER N . 25575 1 220 . 1 1 25 25 PHE HA H 1 4.52 0.02 . 1 . . . A 47 PHE HA . 25575 1 221 . 1 1 25 25 PHE HB2 H 1 3.18 0.02 . 2 . . . A 47 PHE HB2 . 25575 1 222 . 1 1 25 25 PHE HB3 H 1 2.65 0.02 . 2 . . . A 47 PHE HB3 . 25575 1 223 . 1 1 25 25 PHE HD1 H 1 7.03 0.02 . 1 . . . A 47 PHE HD1 . 25575 1 224 . 1 1 25 25 PHE HD2 H 1 7.03 0.02 . 1 . . . A 47 PHE HD2 . 25575 1 225 . 1 1 25 25 PHE HE1 H 1 7.08 0.02 . 1 . . . A 47 PHE HE1 . 25575 1 226 . 1 1 25 25 PHE HE2 H 1 7.08 0.02 . 1 . . . A 47 PHE HE2 . 25575 1 227 . 1 1 25 25 PHE HZ H 1 7.16 0.02 . 1 . . . A 47 PHE HZ . 25575 1 228 . 1 1 25 25 PHE CA C 13 57.00 0.20 . 1 . . . A 47 PHE CA . 25575 1 229 . 1 1 25 25 PHE CB C 13 38.36 0.20 . 1 . . . A 47 PHE CB . 25575 1 230 . 1 1 25 25 PHE CD1 C 13 131.90 0.20 . 1 . . . A 47 PHE CD1 . 25575 1 231 . 1 1 25 25 PHE CD2 C 13 131.90 0.20 . 1 . . . A 47 PHE CD2 . 25575 1 232 . 1 1 25 25 PHE CE1 C 13 130.98 0.20 . 1 . . . A 47 PHE CE1 . 25575 1 233 . 1 1 25 25 PHE CE2 C 13 130.98 0.20 . 1 . . . A 47 PHE CE2 . 25575 1 234 . 1 1 25 25 PHE CZ C 13 129.27 0.20 . 1 . . . A 47 PHE CZ . 25575 1 235 . 1 1 26 26 SER H H 1 7.10 0.02 . 1 . . . A 48 SER H . 25575 1 236 . 1 1 26 26 SER HA H 1 4.44 0.02 . 1 . . . A 48 SER HA . 25575 1 237 . 1 1 26 26 SER HB2 H 1 4.28 0.02 . 2 . . . A 48 SER HB2 . 25575 1 238 . 1 1 26 26 SER HB3 H 1 3.87 0.02 . 2 . . . A 48 SER HB3 . 25575 1 239 . 1 1 26 26 SER CA C 13 56.95 0.20 . 1 . . . A 48 SER CA . 25575 1 240 . 1 1 26 26 SER CB C 13 65.81 0.20 . 1 . . . A 48 SER CB . 25575 1 241 . 1 1 26 26 SER N N 15 116.97 0.20 . 1 . . . A 48 SER N . 25575 1 242 . 1 1 27 27 LYS H H 1 8.77 0.02 . 1 . . . A 49 LYS H . 25575 1 243 . 1 1 27 27 LYS HA H 1 3.90 0.02 . 1 . . . A 49 LYS HA . 25575 1 244 . 1 1 27 27 LYS HB2 H 1 1.86 0.02 . 2 . . . A 49 LYS HB2 . 25575 1 245 . 1 1 27 27 LYS HB3 H 1 1.82 0.02 . 2 . . . A 49 LYS HB3 . 25575 1 246 . 1 1 27 27 LYS HG2 H 1 1.56 0.02 . 2 . . . A 49 LYS HG2 . 25575 1 247 . 1 1 27 27 LYS HG3 H 1 1.47 0.02 . 2 . . . A 49 LYS HG3 . 25575 1 248 . 1 1 27 27 LYS HD2 H 1 1.71 0.02 . 2 . . . A 49 LYS HD2 . 25575 1 249 . 1 1 27 27 LYS HD3 H 1 1.71 0.02 . 2 . . . A 49 LYS HD3 . 25575 1 250 . 1 1 27 27 LYS HE2 H 1 3.01 0.02 . 2 . . . A 49 LYS HE2 . 25575 1 251 . 1 1 27 27 LYS HE3 H 1 3.01 0.02 . 2 . . . A 49 LYS HE3 . 25575 1 252 . 1 1 27 27 LYS CA C 13 59.57 0.20 . 1 . . . A 49 LYS CA . 25575 1 253 . 1 1 27 27 LYS CB C 13 31.79 0.20 . 1 . . . A 49 LYS CB . 25575 1 254 . 1 1 27 27 LYS CG C 13 25.15 0.20 . 1 . . . A 49 LYS CG . 25575 1 255 . 1 1 27 27 LYS CD C 13 28.85 0.20 . 1 . . . A 49 LYS CD . 25575 1 256 . 1 1 27 27 LYS CE C 13 41.97 0.20 . 1 . . . A 49 LYS CE . 25575 1 257 . 1 1 27 27 LYS N N 15 120.65 0.20 . 1 . . . A 49 LYS N . 25575 1 258 . 1 1 28 28 ARG H H 1 8.04 0.02 . 1 . . . A 50 ARG H . 25575 1 259 . 1 1 28 28 ARG HA H 1 4.04 0.02 . 1 . . . A 50 ARG HA . 25575 1 260 . 1 1 28 28 ARG HB2 H 1 1.83 0.02 . 2 . . . A 50 ARG HB2 . 25575 1 261 . 1 1 28 28 ARG HB3 H 1 1.76 0.02 . 2 . . . A 50 ARG HB3 . 25575 1 262 . 1 1 28 28 ARG HG2 H 1 1.68 0.02 . 2 . . . A 50 ARG HG2 . 25575 1 263 . 1 1 28 28 ARG HG3 H 1 1.61 0.02 . 2 . . . A 50 ARG HG3 . 25575 1 264 . 1 1 28 28 ARG HD2 H 1 3.21 0.02 . 2 . . . A 50 ARG HD2 . 25575 1 265 . 1 1 28 28 ARG HD3 H 1 3.21 0.02 . 2 . . . A 50 ARG HD3 . 25575 1 266 . 1 1 28 28 ARG CA C 13 59.07 0.20 . 1 . . . A 50 ARG CA . 25575 1 267 . 1 1 28 28 ARG CB C 13 30.08 0.20 . 1 . . . A 50 ARG CB . 25575 1 268 . 1 1 28 28 ARG CG C 13 27.32 0.20 . 1 . . . A 50 ARG CG . 25575 1 269 . 1 1 28 28 ARG CD C 13 43.35 0.20 . 1 . . . A 50 ARG CD . 25575 1 270 . 1 1 28 28 ARG N N 15 118.24 0.20 . 1 . . . A 50 ARG N . 25575 1 271 . 1 1 29 29 VAL H H 1 7.35 0.02 . 1 . . . A 51 VAL H . 25575 1 272 . 1 1 29 29 VAL HA H 1 3.59 0.02 . 1 . . . A 51 VAL HA . 25575 1 273 . 1 1 29 29 VAL HB H 1 1.98 0.02 . 1 . . . A 51 VAL HB . 25575 1 274 . 1 1 29 29 VAL HG11 H 1 1.10 0.02 . 2 . . . A 51 VAL HG11 . 25575 1 275 . 1 1 29 29 VAL HG12 H 1 1.10 0.02 . 2 . . . A 51 VAL HG12 . 25575 1 276 . 1 1 29 29 VAL HG13 H 1 1.10 0.02 . 2 . . . A 51 VAL HG13 . 25575 1 277 . 1 1 29 29 VAL HG21 H 1 0.89 0.02 . 2 . . . A 51 VAL HG21 . 25575 1 278 . 1 1 29 29 VAL HG22 H 1 0.89 0.02 . 2 . . . A 51 VAL HG22 . 25575 1 279 . 1 1 29 29 VAL HG23 H 1 0.89 0.02 . 2 . . . A 51 VAL HG23 . 25575 1 280 . 1 1 29 29 VAL CA C 13 65.94 0.20 . 1 . . . A 51 VAL CA . 25575 1 281 . 1 1 29 29 VAL CB C 13 31.62 0.20 . 1 . . . A 51 VAL CB . 25575 1 282 . 1 1 29 29 VAL CG1 C 13 22.74 0.20 . 1 . . . A 51 VAL CG1 . 25575 1 283 . 1 1 29 29 VAL CG2 C 13 22.10 0.20 . 1 . . . A 51 VAL CG2 . 25575 1 284 . 1 1 29 29 VAL N N 15 121.68 0.20 . 1 . . . A 51 VAL N . 25575 1 285 . 1 1 30 30 GLN H H 1 8.21 0.02 . 1 . . . A 52 GLN H . 25575 1 286 . 1 1 30 30 GLN HA H 1 3.57 0.02 . 1 . . . A 52 GLN HA . 25575 1 287 . 1 1 30 30 GLN HB2 H 1 2.04 0.02 . 2 . . . A 52 GLN HB2 . 25575 1 288 . 1 1 30 30 GLN HB3 H 1 1.77 0.02 . 2 . . . A 52 GLN HB3 . 25575 1 289 . 1 1 30 30 GLN HG2 H 1 1.92 0.02 . 2 . . . A 52 GLN HG2 . 25575 1 290 . 1 1 30 30 GLN HG3 H 1 1.92 0.02 . 2 . . . A 52 GLN HG3 . 25575 1 291 . 1 1 30 30 GLN CA C 13 59.21 0.20 . 1 . . . A 52 GLN CA . 25575 1 292 . 1 1 30 30 GLN CB C 13 28.62 0.20 . 1 . . . A 52 GLN CB . 25575 1 293 . 1 1 30 30 GLN CG C 13 33.82 0.20 . 1 . . . A 52 GLN CG . 25575 1 294 . 1 1 30 30 GLN N N 15 119.68 0.20 . 1 . . . A 52 GLN N . 25575 1 295 . 1 1 31 31 LYS H H 1 7.96 0.02 . 1 . . . A 53 LYS H . 25575 1 296 . 1 1 31 31 LYS HA H 1 4.16 0.02 . 1 . . . A 53 LYS HA . 25575 1 297 . 1 1 31 31 LYS HB2 H 1 1.93 0.02 . 2 . . . A 53 LYS HB2 . 25575 1 298 . 1 1 31 31 LYS HB3 H 1 1.90 0.02 . 2 . . . A 53 LYS HB3 . 25575 1 299 . 1 1 31 31 LYS HG2 H 1 1.55 0.02 . 2 . . . A 53 LYS HG2 . 25575 1 300 . 1 1 31 31 LYS HG3 H 1 1.47 0.02 . 2 . . . A 53 LYS HG3 . 25575 1 301 . 1 1 31 31 LYS HD2 H 1 1.69 0.02 . 2 . . . A 53 LYS HD2 . 25575 1 302 . 1 1 31 31 LYS HD3 H 1 1.69 0.02 . 2 . . . A 53 LYS HD3 . 25575 1 303 . 1 1 31 31 LYS HE2 H 1 2.97 0.02 . 2 . . . A 53 LYS HE2 . 25575 1 304 . 1 1 31 31 LYS HE3 H 1 2.97 0.02 . 2 . . . A 53 LYS HE3 . 25575 1 305 . 1 1 31 31 LYS CA C 13 58.67 0.20 . 1 . . . A 53 LYS CA . 25575 1 306 . 1 1 31 31 LYS CB C 13 32.12 0.20 . 1 . . . A 53 LYS CB . 25575 1 307 . 1 1 31 31 LYS CG C 13 24.91 0.20 . 1 . . . A 53 LYS CG . 25575 1 308 . 1 1 31 31 LYS CD C 13 29.01 0.20 . 1 . . . A 53 LYS CD . 25575 1 309 . 1 1 31 31 LYS CE C 13 42.08 0.20 . 1 . . . A 53 LYS CE . 25575 1 310 . 1 1 31 31 LYS N N 15 118.08 0.20 . 1 . . . A 53 LYS N . 25575 1 311 . 1 1 32 32 SER H H 1 7.80 0.02 . 1 . . . A 54 SER H . 25575 1 312 . 1 1 32 32 SER HA H 1 4.37 0.02 . 1 . . . A 54 SER HA . 25575 1 313 . 1 1 32 32 SER HB2 H 1 4.02 0.02 . 2 . . . A 54 SER HB2 . 25575 1 314 . 1 1 32 32 SER HB3 H 1 3.90 0.02 . 2 . . . A 54 SER HB3 . 25575 1 315 . 1 1 32 32 SER CA C 13 61.33 0.20 . 1 . . . A 54 SER CA . 25575 1 316 . 1 1 32 32 SER CB C 13 63.69 0.20 . 1 . . . A 54 SER CB . 25575 1 317 . 1 1 32 32 SER N N 15 115.45 0.20 . 1 . . . A 54 SER N . 25575 1 318 . 1 1 33 33 ILE H H 1 7.84 0.02 . 1 . . . A 55 ILE H . 25575 1 319 . 1 1 33 33 ILE HA H 1 4.06 0.02 . 1 . . . A 55 ILE HA . 25575 1 320 . 1 1 33 33 ILE HB H 1 2.10 0.02 . 1 . . . A 55 ILE HB . 25575 1 321 . 1 1 33 33 ILE HG12 H 1 1.70 0.02 . 2 . . . A 55 ILE HG12 . 25575 1 322 . 1 1 33 33 ILE HG13 H 1 1.22 0.02 . 2 . . . A 55 ILE HG13 . 25575 1 323 . 1 1 33 33 ILE HG21 H 1 1.06 0.02 . 1 . . . A 55 ILE HG21 . 25575 1 324 . 1 1 33 33 ILE HG22 H 1 1.06 0.02 . 1 . . . A 55 ILE HG22 . 25575 1 325 . 1 1 33 33 ILE HG23 H 1 1.06 0.02 . 1 . . . A 55 ILE HG23 . 25575 1 326 . 1 1 33 33 ILE HD11 H 1 0.94 0.02 . 1 . . . A 55 ILE HD11 . 25575 1 327 . 1 1 33 33 ILE HD12 H 1 0.94 0.02 . 1 . . . A 55 ILE HD12 . 25575 1 328 . 1 1 33 33 ILE HD13 H 1 0.94 0.02 . 1 . . . A 55 ILE HD13 . 25575 1 329 . 1 1 33 33 ILE CA C 13 63.33 0.20 . 1 . . . A 55 ILE CA . 25575 1 330 . 1 1 33 33 ILE CB C 13 38.98 0.20 . 1 . . . A 55 ILE CB . 25575 1 331 . 1 1 33 33 ILE CG1 C 13 28.34 0.20 . 1 . . . A 55 ILE CG1 . 25575 1 332 . 1 1 33 33 ILE CG2 C 13 18.45 0.20 . 1 . . . A 55 ILE CG2 . 25575 1 333 . 1 1 33 33 ILE CD1 C 13 14.65 0.20 . 1 . . . A 55 ILE CD1 . 25575 1 334 . 1 1 33 33 ILE N N 15 117.67 0.20 . 1 . . . A 55 ILE N . 25575 1 335 . 1 1 34 34 SER H H 1 8.06 0.02 . 1 . . . A 56 SER H . 25575 1 336 . 1 1 34 34 SER HA H 1 4.49 0.02 . 1 . . . A 56 SER HA . 25575 1 337 . 1 1 34 34 SER HB2 H 1 4.06 0.02 . 2 . . . A 56 SER HB2 . 25575 1 338 . 1 1 34 34 SER HB3 H 1 4.06 0.02 . 2 . . . A 56 SER HB3 . 25575 1 339 . 1 1 34 34 SER CA C 13 60.22 0.20 . 1 . . . A 56 SER CA . 25575 1 340 . 1 1 34 34 SER CB C 13 63.00 0.20 . 1 . . . A 56 SER CB . 25575 1 341 . 1 1 34 34 SER N N 15 115.65 0.20 . 1 . . . A 56 SER N . 25575 1 342 . 1 1 35 35 GLN H H 1 8.62 0.02 . 1 . . . A 57 GLN H . 25575 1 343 . 1 1 35 35 GLN HA H 1 4.20 0.02 . 1 . . . A 57 GLN HA . 25575 1 344 . 1 1 35 35 GLN HB2 H 1 2.26 0.02 . 2 . . . A 57 GLN HB2 . 25575 1 345 . 1 1 35 35 GLN HB3 H 1 2.23 0.02 . 2 . . . A 57 GLN HB3 . 25575 1 346 . 1 1 35 35 GLN HG2 H 1 2.56 0.02 . 2 . . . A 57 GLN HG2 . 25575 1 347 . 1 1 35 35 GLN HG3 H 1 2.45 0.02 . 2 . . . A 57 GLN HG3 . 25575 1 348 . 1 1 35 35 GLN CA C 13 58.31 0.20 . 1 . . . A 57 GLN CA . 25575 1 349 . 1 1 35 35 GLN CB C 13 28.85 0.20 . 1 . . . A 57 GLN CB . 25575 1 350 . 1 1 35 35 GLN CG C 13 34.43 0.20 . 1 . . . A 57 GLN CG . 25575 1 351 . 1 1 35 35 GLN N N 15 121.83 0.20 . 1 . . . A 57 GLN N . 25575 1 352 . 1 1 36 36 LYS H H 1 7.95 0.02 . 1 . . . A 58 LYS H . 25575 1 353 . 1 1 36 36 LYS HA H 1 4.29 0.02 . 1 . . . A 58 LYS HA . 25575 1 354 . 1 1 36 36 LYS HB2 H 1 1.93 0.02 . 2 . . . A 58 LYS HB2 . 25575 1 355 . 1 1 36 36 LYS HB3 H 1 1.82 0.02 . 2 . . . A 58 LYS HB3 . 25575 1 356 . 1 1 36 36 LYS HG2 H 1 1.60 0.02 . 2 . . . A 58 LYS HG2 . 25575 1 357 . 1 1 36 36 LYS HG3 H 1 1.45 0.02 . 2 . . . A 58 LYS HG3 . 25575 1 358 . 1 1 36 36 LYS HD2 H 1 1.71 0.02 . 2 . . . A 58 LYS HD2 . 25575 1 359 . 1 1 36 36 LYS HD3 H 1 1.71 0.02 . 2 . . . A 58 LYS HD3 . 25575 1 360 . 1 1 36 36 LYS HE2 H 1 3.02 0.02 . 2 . . . A 58 LYS HE2 . 25575 1 361 . 1 1 36 36 LYS HE3 H 1 3.02 0.02 . 2 . . . A 58 LYS HE3 . 25575 1 362 . 1 1 36 36 LYS CA C 13 56.92 0.20 . 1 . . . A 58 LYS CA . 25575 1 363 . 1 1 36 36 LYS CB C 13 32.90 0.20 . 1 . . . A 58 LYS CB . 25575 1 364 . 1 1 36 36 LYS CG C 13 25.85 0.20 . 1 . . . A 58 LYS CG . 25575 1 365 . 1 1 36 36 LYS CD C 13 29.23 0.20 . 1 . . . A 58 LYS CD . 25575 1 366 . 1 1 36 36 LYS N N 15 116.96 0.20 . 1 . . . A 58 LYS N . 25575 1 367 . 1 1 37 37 LYS H H 1 7.95 0.02 . 1 . . . A 59 LYS H . 25575 1 368 . 1 1 37 37 LYS HA H 1 4.12 0.02 . 1 . . . A 59 LYS HA . 25575 1 369 . 1 1 37 37 LYS HB2 H 1 2.02 0.02 . 2 . . . A 59 LYS HB2 . 25575 1 370 . 1 1 37 37 LYS HB3 H 1 1.94 0.02 . 2 . . . A 59 LYS HB3 . 25575 1 371 . 1 1 37 37 LYS HG2 H 1 1.48 0.02 . 2 . . . A 59 LYS HG2 . 25575 1 372 . 1 1 37 37 LYS HG3 H 1 1.42 0.02 . 2 . . . A 59 LYS HG3 . 25575 1 373 . 1 1 37 37 LYS HD2 H 1 1.74 0.02 . 2 . . . A 59 LYS HD2 . 25575 1 374 . 1 1 37 37 LYS HD3 H 1 1.74 0.02 . 2 . . . A 59 LYS HD3 . 25575 1 375 . 1 1 37 37 LYS HE2 H 1 3.05 0.02 . 2 . . . A 59 LYS HE2 . 25575 1 376 . 1 1 37 37 LYS HE3 H 1 3.05 0.02 . 2 . . . A 59 LYS HE3 . 25575 1 377 . 1 1 37 37 LYS CA C 13 57.09 0.20 . 1 . . . A 59 LYS CA . 25575 1 378 . 1 1 37 37 LYS CB C 13 30.08 0.20 . 1 . . . A 59 LYS CB . 25575 1 379 . 1 1 37 37 LYS CG C 13 24.93 0.20 . 1 . . . A 59 LYS CG . 25575 1 380 . 1 1 37 37 LYS CD C 13 29.05 0.20 . 1 . . . A 59 LYS CD . 25575 1 381 . 1 1 37 37 LYS CE C 13 42.32 0.20 . 1 . . . A 59 LYS CE . 25575 1 382 . 1 1 37 37 LYS N N 15 116.96 0.20 . 1 . . . A 59 LYS N . 25575 1 383 . 1 1 38 38 LEU H H 1 7.93 0.02 . 1 . . . A 60 LEU H . 25575 1 384 . 1 1 38 38 LEU HA H 1 4.48 0.02 . 1 . . . A 60 LEU HA . 25575 1 385 . 1 1 38 38 LEU HB2 H 1 1.80 0.02 . 2 . . . A 60 LEU HB2 . 25575 1 386 . 1 1 38 38 LEU HB3 H 1 1.61 0.02 . 2 . . . A 60 LEU HB3 . 25575 1 387 . 1 1 38 38 LEU HG H 1 1.74 0.02 . 1 . . . A 60 LEU HG . 25575 1 388 . 1 1 38 38 LEU HD11 H 1 0.90 0.02 . 2 . . . A 60 LEU HD11 . 25575 1 389 . 1 1 38 38 LEU HD12 H 1 0.90 0.02 . 2 . . . A 60 LEU HD12 . 25575 1 390 . 1 1 38 38 LEU HD13 H 1 0.90 0.02 . 2 . . . A 60 LEU HD13 . 25575 1 391 . 1 1 38 38 LEU HD21 H 1 0.90 0.02 . 2 . . . A 60 LEU HD21 . 25575 1 392 . 1 1 38 38 LEU HD22 H 1 0.90 0.02 . 2 . . . A 60 LEU HD22 . 25575 1 393 . 1 1 38 38 LEU HD23 H 1 0.90 0.02 . 2 . . . A 60 LEU HD23 . 25575 1 394 . 1 1 38 38 LEU CA C 13 54.50 0.20 . 1 . . . A 60 LEU CA . 25575 1 395 . 1 1 38 38 LEU CB C 13 42.84 0.20 . 1 . . . A 60 LEU CB . 25575 1 396 . 1 1 38 38 LEU CG C 13 27.05 0.20 . 1 . . . A 60 LEU CG . 25575 1 397 . 1 1 38 38 LEU CD1 C 13 26.07 0.20 . 1 . . . A 60 LEU CD1 . 25575 1 398 . 1 1 38 38 LEU CD2 C 13 22.68 0.20 . 1 . . . A 60 LEU CD2 . 25575 1 399 . 1 1 38 38 LEU N N 15 117.54 0.20 . 1 . . . A 60 LEU N . 25575 1 400 . 1 1 39 39 LYS HA H 1 4.39 0.02 . 1 . . . A 61 LYS HA . 25575 1 401 . 1 1 39 39 LYS HB2 H 1 2.00 0.02 . 2 . . . A 61 LYS HB2 . 25575 1 402 . 1 1 39 39 LYS HB3 H 1 1.91 0.02 . 2 . . . A 61 LYS HB3 . 25575 1 403 . 1 1 39 39 LYS HG2 H 1 1.48 0.02 . 2 . . . A 61 LYS HG2 . 25575 1 404 . 1 1 39 39 LYS HG3 H 1 1.42 0.02 . 2 . . . A 61 LYS HG3 . 25575 1 405 . 1 1 39 39 LYS HD2 H 1 1.71 0.02 . 2 . . . A 61 LYS HD2 . 25575 1 406 . 1 1 39 39 LYS HD3 H 1 1.71 0.02 . 2 . . . A 61 LYS HD3 . 25575 1 407 . 1 1 39 39 LYS HE2 H 1 3.03 0.02 . 2 . . . A 61 LYS HE2 . 25575 1 408 . 1 1 39 39 LYS HE3 H 1 3.03 0.02 . 2 . . . A 61 LYS HE3 . 25575 1 409 . 1 1 39 39 LYS CA C 13 55.54 0.20 . 1 . . . A 61 LYS CA . 25575 1 410 . 1 1 39 39 LYS CB C 13 30.05 0.20 . 1 . . . A 61 LYS CB . 25575 1 411 . 1 1 39 39 LYS CG C 13 24.52 0.20 . 1 . . . A 61 LYS CG . 25575 1 412 . 1 1 39 39 LYS CD C 13 29.10 0.20 . 1 . . . A 61 LYS CD . 25575 1 413 . 1 1 39 39 LYS CE C 13 42.29 0.20 . 1 . . . A 61 LYS CE . 25575 1 414 . 1 1 40 40 LEU H H 1 7.47 0.02 . 1 . . . A 62 LEU H . 25575 1 415 . 1 1 40 40 LEU HA H 1 5.25 0.02 . 1 . . . A 62 LEU HA . 25575 1 416 . 1 1 40 40 LEU HB2 H 1 1.58 0.02 . 2 . . . A 62 LEU HB2 . 25575 1 417 . 1 1 40 40 LEU HB3 H 1 1.21 0.02 . 2 . . . A 62 LEU HB3 . 25575 1 418 . 1 1 40 40 LEU HG H 1 1.59 0.02 . 1 . . . A 62 LEU HG . 25575 1 419 . 1 1 40 40 LEU HD11 H 1 0.84 0.02 . 2 . . . A 62 LEU HD11 . 25575 1 420 . 1 1 40 40 LEU HD12 H 1 0.84 0.02 . 2 . . . A 62 LEU HD12 . 25575 1 421 . 1 1 40 40 LEU HD13 H 1 0.84 0.02 . 2 . . . A 62 LEU HD13 . 25575 1 422 . 1 1 40 40 LEU HD21 H 1 0.70 0.02 . 2 . . . A 62 LEU HD21 . 25575 1 423 . 1 1 40 40 LEU HD22 H 1 0.70 0.02 . 2 . . . A 62 LEU HD22 . 25575 1 424 . 1 1 40 40 LEU HD23 H 1 0.70 0.02 . 2 . . . A 62 LEU HD23 . 25575 1 425 . 1 1 40 40 LEU CA C 13 53.08 0.20 . 1 . . . A 62 LEU CA . 25575 1 426 . 1 1 40 40 LEU CB C 13 45.76 0.20 . 1 . . . A 62 LEU CB . 25575 1 427 . 1 1 40 40 LEU CG C 13 26.68 0.20 . 1 . . . A 62 LEU CG . 25575 1 428 . 1 1 40 40 LEU CD1 C 13 25.94 0.20 . 1 . . . A 62 LEU CD1 . 25575 1 429 . 1 1 40 40 LEU CD2 C 13 23.85 0.20 . 1 . . . A 62 LEU CD2 . 25575 1 430 . 1 1 40 40 LEU N N 15 120.00 0.20 . 1 . . . A 62 LEU N . 25575 1 431 . 1 1 41 41 ASP H H 1 8.62 0.02 . 1 . . . A 63 ASP H . 25575 1 432 . 1 1 41 41 ASP HA H 1 4.86 0.02 . 1 . . . A 63 ASP HA . 25575 1 433 . 1 1 41 41 ASP HB2 H 1 2.53 0.02 . 2 . . . A 63 ASP HB2 . 25575 1 434 . 1 1 41 41 ASP HB3 H 1 2.47 0.02 . 2 . . . A 63 ASP HB3 . 25575 1 435 . 1 1 41 41 ASP CA C 13 51.89 0.20 . 1 . . . A 63 ASP CA . 25575 1 436 . 1 1 41 41 ASP CB C 13 44.91 0.20 . 1 . . . A 63 ASP CB . 25575 1 437 . 1 1 41 41 ASP N N 15 121.73 0.20 . 1 . . . A 63 ASP N . 25575 1 438 . 1 1 42 42 ILE H H 1 8.65 0.02 . 1 . . . A 64 ILE H . 25575 1 439 . 1 1 42 42 ILE HA H 1 4.21 0.02 . 1 . . . A 64 ILE HA . 25575 1 440 . 1 1 42 42 ILE HB H 1 1.32 0.02 . 1 . . . A 64 ILE HB . 25575 1 441 . 1 1 42 42 ILE HG12 H 1 1.29 0.02 . 2 . . . A 64 ILE HG12 . 25575 1 442 . 1 1 42 42 ILE HG13 H 1 0.79 0.02 . 2 . . . A 64 ILE HG13 . 25575 1 443 . 1 1 42 42 ILE HG21 H 1 0.57 0.02 . 1 . . . A 64 ILE HG21 . 25575 1 444 . 1 1 42 42 ILE HG22 H 1 0.57 0.02 . 1 . . . A 64 ILE HG22 . 25575 1 445 . 1 1 42 42 ILE HG23 H 1 0.57 0.02 . 1 . . . A 64 ILE HG23 . 25575 1 446 . 1 1 42 42 ILE HD11 H 1 0.72 0.02 . 1 . . . A 64 ILE HD11 . 25575 1 447 . 1 1 42 42 ILE HD12 H 1 0.72 0.02 . 1 . . . A 64 ILE HD12 . 25575 1 448 . 1 1 42 42 ILE HD13 H 1 0.72 0.02 . 1 . . . A 64 ILE HD13 . 25575 1 449 . 1 1 42 42 ILE CA C 13 60.43 0.20 . 1 . . . A 64 ILE CA . 25575 1 450 . 1 1 42 42 ILE CB C 13 40.42 0.20 . 1 . . . A 64 ILE CB . 25575 1 451 . 1 1 42 42 ILE CG1 C 13 27.86 0.20 . 1 . . . A 64 ILE CG1 . 25575 1 452 . 1 1 42 42 ILE CG2 C 13 17.71 0.20 . 1 . . . A 64 ILE CG2 . 25575 1 453 . 1 1 42 42 ILE CD1 C 13 14.55 0.20 . 1 . . . A 64 ILE CD1 . 25575 1 454 . 1 1 42 42 ILE N N 15 118.12 0.20 . 1 . . . A 64 ILE N . 25575 1 455 . 1 1 43 43 ASP H H 1 8.63 0.02 . 1 . . . A 65 ASP H . 25575 1 456 . 1 1 43 43 ASP HA H 1 4.57 0.02 . 1 . . . A 65 ASP HA . 25575 1 457 . 1 1 43 43 ASP HB2 H 1 2.91 0.02 . 2 . . . A 65 ASP HB2 . 25575 1 458 . 1 1 43 43 ASP HB3 H 1 2.26 0.02 . 2 . . . A 65 ASP HB3 . 25575 1 459 . 1 1 43 43 ASP CA C 13 53.31 0.20 . 1 . . . A 65 ASP CA . 25575 1 460 . 1 1 43 43 ASP CB C 13 40.44 0.20 . 1 . . . A 65 ASP CB . 25575 1 461 . 1 1 43 43 ASP N N 15 124.55 0.20 . 1 . . . A 65 ASP N . 25575 1 462 . 1 1 44 44 LYS H H 1 8.59 0.02 . 1 . . . A 66 LYS H . 25575 1 463 . 1 1 44 44 LYS HA H 1 4.04 0.02 . 1 . . . A 66 LYS HA . 25575 1 464 . 1 1 44 44 LYS HB2 H 1 1.94 0.02 . 2 . . . A 66 LYS HB2 . 25575 1 465 . 1 1 44 44 LYS HB3 H 1 1.80 0.02 . 2 . . . A 66 LYS HB3 . 25575 1 466 . 1 1 44 44 LYS HG2 H 1 1.57 0.02 . 2 . . . A 66 LYS HG2 . 25575 1 467 . 1 1 44 44 LYS HG3 H 1 1.46 0.02 . 2 . . . A 66 LYS HG3 . 25575 1 468 . 1 1 44 44 LYS HD2 H 1 1.74 0.02 . 2 . . . A 66 LYS HD2 . 25575 1 469 . 1 1 44 44 LYS HD3 H 1 1.74 0.02 . 2 . . . A 66 LYS HD3 . 25575 1 470 . 1 1 44 44 LYS HE2 H 1 3.04 0.02 . 2 . . . A 66 LYS HE2 . 25575 1 471 . 1 1 44 44 LYS HE3 H 1 3.04 0.02 . 2 . . . A 66 LYS HE3 . 25575 1 472 . 1 1 44 44 LYS CA C 13 58.14 0.20 . 1 . . . A 66 LYS CA . 25575 1 473 . 1 1 44 44 LYS CB C 13 31.99 0.20 . 1 . . . A 66 LYS CB . 25575 1 474 . 1 1 44 44 LYS CG C 13 25.33 0.20 . 1 . . . A 66 LYS CG . 25575 1 475 . 1 1 44 44 LYS CD C 13 28.90 0.20 . 1 . . . A 66 LYS CD . 25575 1 476 . 1 1 44 44 LYS CE C 13 42.00 0.20 . 1 . . . A 66 LYS CE . 25575 1 477 . 1 1 44 44 LYS N N 15 125.97 0.20 . 1 . . . A 66 LYS N . 25575 1 478 . 1 1 45 45 SER H H 1 8.76 0.02 . 1 . . . A 67 SER H . 25575 1 479 . 1 1 45 45 SER HA H 1 4.32 0.02 . 1 . . . A 67 SER HA . 25575 1 480 . 1 1 45 45 SER HB2 H 1 3.98 0.02 . 2 . . . A 67 SER HB2 . 25575 1 481 . 1 1 45 45 SER HB3 H 1 3.93 0.02 . 2 . . . A 67 SER HB3 . 25575 1 482 . 1 1 45 45 SER CA C 13 60.33 0.20 . 1 . . . A 67 SER CA . 25575 1 483 . 1 1 45 45 SER CB C 13 63.71 0.20 . 1 . . . A 67 SER CB . 25575 1 484 . 1 1 45 45 SER N N 15 114.98 0.20 . 1 . . . A 67 SER N . 25575 1 485 . 1 1 46 46 VAL HA H 1 4.25 0.02 . 1 . . . A 68 VAL HA . 25575 1 486 . 1 1 46 46 VAL HB H 1 2.29 0.02 . 1 . . . A 68 VAL HB . 25575 1 487 . 1 1 46 46 VAL HG11 H 1 0.88 0.02 . 2 . . . A 68 VAL HG11 . 25575 1 488 . 1 1 46 46 VAL HG12 H 1 0.88 0.02 . 2 . . . A 68 VAL HG12 . 25575 1 489 . 1 1 46 46 VAL HG13 H 1 0.88 0.02 . 2 . . . A 68 VAL HG13 . 25575 1 490 . 1 1 46 46 VAL HG21 H 1 0.88 0.02 . 2 . . . A 68 VAL HG21 . 25575 1 491 . 1 1 46 46 VAL HG22 H 1 0.88 0.02 . 2 . . . A 68 VAL HG22 . 25575 1 492 . 1 1 46 46 VAL HG23 H 1 0.88 0.02 . 2 . . . A 68 VAL HG23 . 25575 1 493 . 1 1 46 46 VAL CA C 13 62.15 0.20 . 1 . . . A 68 VAL CA . 25575 1 494 . 1 1 46 46 VAL CB C 13 31.90 0.20 . 1 . . . A 68 VAL CB . 25575 1 495 . 1 1 46 46 VAL CG1 C 13 21.70 0.20 . 1 . . . A 68 VAL CG1 . 25575 1 496 . 1 1 46 46 VAL CG2 C 13 21.88 0.20 . 1 . . . A 68 VAL CG2 . 25575 1 497 . 1 1 47 47 ARG HG2 H 1 1.61 0.02 . 2 . . . A 69 ARG HG2 . 25575 1 498 . 1 1 47 47 ARG HG3 H 1 1.61 0.02 . 2 . . . A 69 ARG HG3 . 25575 1 499 . 1 1 47 47 ARG HD2 H 1 3.24 0.02 . 2 . . . A 69 ARG HD2 . 25575 1 500 . 1 1 47 47 ARG HD3 H 1 3.24 0.02 . 2 . . . A 69 ARG HD3 . 25575 1 501 . 1 1 47 47 ARG CA C 13 56.96 0.20 . 1 . . . A 69 ARG CA . 25575 1 502 . 1 1 47 47 ARG CD C 13 43.35 0.20 . 1 . . . A 69 ARG CD . 25575 1 503 . 1 1 48 48 HIS H H 1 7.39 0.02 . 1 . . . A 70 HIS H . 25575 1 504 . 1 1 48 48 HIS HA H 1 4.76 0.02 . 1 . . . A 70 HIS HA . 25575 1 505 . 1 1 48 48 HIS HB2 H 1 3.20 0.02 . 2 . . . A 70 HIS HB2 . 25575 1 506 . 1 1 48 48 HIS HB3 H 1 3.13 0.02 . 2 . . . A 70 HIS HB3 . 25575 1 507 . 1 1 48 48 HIS HD2 H 1 7.01 0.02 . 1 . . . A 70 HIS HD2 . 25575 1 508 . 1 1 48 48 HIS HE1 H 1 8.15 0.02 . 1 . . . A 70 HIS HE1 . 25575 1 509 . 1 1 48 48 HIS HE2 H 1 13.33 0.02 . 1 . . . A 70 HIS HE2 . 25575 1 510 . 1 1 48 48 HIS CA C 13 55.36 0.20 . 1 . . . A 70 HIS CA . 25575 1 511 . 1 1 48 48 HIS CB C 13 33.10 0.20 . 1 . . . A 70 HIS CB . 25575 1 512 . 1 1 48 48 HIS CD2 C 13 118.00 0.20 . 1 . . . A 70 HIS CD2 . 25575 1 513 . 1 1 48 48 HIS CE1 C 13 140.14 0.20 . 1 . . . A 70 HIS CE1 . 25575 1 514 . 1 1 48 48 HIS N N 15 116.27 0.20 . 1 . . . A 70 HIS N . 25575 1 515 . 1 1 49 49 LEU H H 1 7.97 0.02 . 1 . . . A 71 LEU H . 25575 1 516 . 1 1 49 49 LEU HA H 1 5.06 0.02 . 1 . . . A 71 LEU HA . 25575 1 517 . 1 1 49 49 LEU HB2 H 1 1.78 0.02 . 2 . . . A 71 LEU HB2 . 25575 1 518 . 1 1 49 49 LEU HB3 H 1 1.34 0.02 . 2 . . . A 71 LEU HB3 . 25575 1 519 . 1 1 49 49 LEU HG H 1 1.44 0.02 . 1 . . . A 71 LEU HG . 25575 1 520 . 1 1 49 49 LEU HD11 H 1 0.88 0.02 . 2 . . . A 71 LEU HD11 . 25575 1 521 . 1 1 49 49 LEU HD12 H 1 0.88 0.02 . 2 . . . A 71 LEU HD12 . 25575 1 522 . 1 1 49 49 LEU HD13 H 1 0.88 0.02 . 2 . . . A 71 LEU HD13 . 25575 1 523 . 1 1 49 49 LEU HD21 H 1 0.88 0.02 . 2 . . . A 71 LEU HD21 . 25575 1 524 . 1 1 49 49 LEU HD22 H 1 0.88 0.02 . 2 . . . A 71 LEU HD22 . 25575 1 525 . 1 1 49 49 LEU HD23 H 1 0.88 0.02 . 2 . . . A 71 LEU HD23 . 25575 1 526 . 1 1 49 49 LEU CA C 13 54.07 0.20 . 1 . . . A 71 LEU CA . 25575 1 527 . 1 1 49 49 LEU CB C 13 42.71 0.20 . 1 . . . A 71 LEU CB . 25575 1 528 . 1 1 49 49 LEU CG C 13 26.81 0.20 . 1 . . . A 71 LEU CG . 25575 1 529 . 1 1 49 49 LEU CD1 C 13 25.63 0.20 . 1 . . . A 71 LEU CD1 . 25575 1 530 . 1 1 49 49 LEU CD2 C 13 23.75 0.20 . 1 . . . A 71 LEU CD2 . 25575 1 531 . 1 1 49 49 LEU N N 15 120.20 0.20 . 1 . . . A 71 LEU N . 25575 1 532 . 1 1 50 50 TYR HA H 1 5.03 0.02 . 1 . . . A 72 TYR HA . 25575 1 533 . 1 1 50 50 TYR HB2 H 1 3.23 0.02 . 2 . . . A 72 TYR HB2 . 25575 1 534 . 1 1 50 50 TYR HB3 H 1 2.82 0.02 . 2 . . . A 72 TYR HB3 . 25575 1 535 . 1 1 50 50 TYR HD1 H 1 7.01 0.02 . 1 . . . A 72 TYR HD1 . 25575 1 536 . 1 1 50 50 TYR HD2 H 1 7.01 0.02 . 1 . . . A 72 TYR HD2 . 25575 1 537 . 1 1 50 50 TYR HE1 H 1 6.82 0.02 . 1 . . . A 72 TYR HE1 . 25575 1 538 . 1 1 50 50 TYR HE2 H 1 6.82 0.02 . 1 . . . A 72 TYR HE2 . 25575 1 539 . 1 1 50 50 TYR CA C 13 59.99 0.20 . 1 . . . A 72 TYR CA . 25575 1 540 . 1 1 50 50 TYR CB C 13 39.44 0.20 . 1 . . . A 72 TYR CB . 25575 1 541 . 1 1 50 50 TYR CD1 C 13 133.34 0.20 . 1 . . . A 72 TYR CD1 . 25575 1 542 . 1 1 50 50 TYR CD2 C 13 133.34 0.20 . 1 . . . A 72 TYR CD2 . 25575 1 543 . 1 1 50 50 TYR CE1 C 13 117.80 0.20 . 1 . . . A 72 TYR CE1 . 25575 1 544 . 1 1 50 50 TYR CE2 C 13 117.80 0.20 . 1 . . . A 72 TYR CE2 . 25575 1 545 . 1 1 51 51 ILE H H 1 8.45 0.02 . 1 . . . A 73 ILE H . 25575 1 546 . 1 1 51 51 ILE HA H 1 6.08 0.02 . 1 . . . A 73 ILE HA . 25575 1 547 . 1 1 51 51 ILE HB H 1 2.13 0.02 . 1 . . . A 73 ILE HB . 25575 1 548 . 1 1 51 51 ILE HG12 H 1 1.58 0.02 . 2 . . . A 73 ILE HG12 . 25575 1 549 . 1 1 51 51 ILE HG13 H 1 0.96 0.02 . 2 . . . A 73 ILE HG13 . 25575 1 550 . 1 1 51 51 ILE HG21 H 1 1.01 0.02 . 1 . . . A 73 ILE HG21 . 25575 1 551 . 1 1 51 51 ILE HG22 H 1 1.01 0.02 . 1 . . . A 73 ILE HG22 . 25575 1 552 . 1 1 51 51 ILE HG23 H 1 1.01 0.02 . 1 . . . A 73 ILE HG23 . 25575 1 553 . 1 1 51 51 ILE HD11 H 1 0.72 0.02 . 1 . . . A 73 ILE HD11 . 25575 1 554 . 1 1 51 51 ILE HD12 H 1 0.72 0.02 . 1 . . . A 73 ILE HD12 . 25575 1 555 . 1 1 51 51 ILE HD13 H 1 0.72 0.02 . 1 . . . A 73 ILE HD13 . 25575 1 556 . 1 1 51 51 ILE CA C 13 58.09 0.20 . 1 . . . A 73 ILE CA . 25575 1 557 . 1 1 51 51 ILE CB C 13 41.82 0.20 . 1 . . . A 73 ILE CB . 25575 1 558 . 1 1 51 51 ILE CG1 C 13 25.19 0.20 . 1 . . . A 73 ILE CG1 . 25575 1 559 . 1 1 51 51 ILE CG2 C 13 18.61 0.20 . 1 . . . A 73 ILE CG2 . 25575 1 560 . 1 1 51 51 ILE CD1 C 13 13.54 0.20 . 1 . . . A 73 ILE CD1 . 25575 1 561 . 1 1 51 51 ILE N N 15 112.94 0.20 . 1 . . . A 73 ILE N . 25575 1 562 . 1 1 52 52 CYS H H 1 9.83 0.02 . 1 . . . A 74 CYS H . 25575 1 563 . 1 1 52 52 CYS HA H 1 5.08 0.02 . 1 . . . A 74 CYS HA . 25575 1 564 . 1 1 52 52 CYS HB2 H 1 3.43 0.02 . 2 . . . A 74 CYS HB2 . 25575 1 565 . 1 1 52 52 CYS HB3 H 1 2.84 0.02 . 2 . . . A 74 CYS HB3 . 25575 1 566 . 1 1 52 52 CYS CA C 13 57.67 0.20 . 1 . . . A 74 CYS CA . 25575 1 567 . 1 1 52 52 CYS CB C 13 33.33 0.20 . 1 . . . A 74 CYS CB . 25575 1 568 . 1 1 52 52 CYS N N 15 124.73 0.20 . 1 . . . A 74 CYS N . 25575 1 569 . 1 1 53 53 ASP H H 1 9.09 0.02 . 1 . . . A 75 ASP H . 25575 1 570 . 1 1 53 53 ASP HA H 1 4.59 0.02 . 1 . . . A 75 ASP HA . 25575 1 571 . 1 1 53 53 ASP HB2 H 1 2.73 0.02 . 2 . . . A 75 ASP HB2 . 25575 1 572 . 1 1 53 53 ASP HB3 H 1 2.68 0.02 . 2 . . . A 75 ASP HB3 . 25575 1 573 . 1 1 53 53 ASP CA C 13 57.32 0.20 . 1 . . . A 75 ASP CA . 25575 1 574 . 1 1 53 53 ASP CB C 13 39.67 0.20 . 1 . . . A 75 ASP CB . 25575 1 575 . 1 1 53 53 ASP N N 15 120.99 0.20 . 1 . . . A 75 ASP N . 25575 1 576 . 1 1 54 54 PHE H H 1 8.33 0.02 . 1 . . . A 76 PHE H . 25575 1 577 . 1 1 54 54 PHE HA H 1 4.23 0.02 . 1 . . . A 76 PHE HA . 25575 1 578 . 1 1 54 54 PHE HB2 H 1 3.65 0.02 . 2 . . . A 76 PHE HB2 . 25575 1 579 . 1 1 54 54 PHE HB3 H 1 3.10 0.02 . 2 . . . A 76 PHE HB3 . 25575 1 580 . 1 1 54 54 PHE HD1 H 1 6.51 0.02 . 1 . . . A 76 PHE HD1 . 25575 1 581 . 1 1 54 54 PHE HD2 H 1 6.51 0.02 . 1 . . . A 76 PHE HD2 . 25575 1 582 . 1 1 54 54 PHE HE1 H 1 7.02 0.02 . 1 . . . A 76 PHE HE1 . 25575 1 583 . 1 1 54 54 PHE HE2 H 1 7.02 0.02 . 1 . . . A 76 PHE HE2 . 25575 1 584 . 1 1 54 54 PHE HZ H 1 7.13 0.02 . 1 . . . A 76 PHE HZ . 25575 1 585 . 1 1 54 54 PHE CA C 13 62.03 0.20 . 1 . . . A 76 PHE CA . 25575 1 586 . 1 1 54 54 PHE CB C 13 38.19 0.20 . 1 . . . A 76 PHE CB . 25575 1 587 . 1 1 54 54 PHE CD1 C 13 131.22 0.20 . 1 . . . A 76 PHE CD1 . 25575 1 588 . 1 1 54 54 PHE CD2 C 13 131.22 0.20 . 1 . . . A 76 PHE CD2 . 25575 1 589 . 1 1 54 54 PHE CE1 C 13 131.12 0.20 . 1 . . . A 76 PHE CE1 . 25575 1 590 . 1 1 54 54 PHE CE2 C 13 131.12 0.20 . 1 . . . A 76 PHE CE2 . 25575 1 591 . 1 1 54 54 PHE CZ C 13 129.99 0.20 . 1 . . . A 76 PHE CZ . 25575 1 592 . 1 1 54 54 PHE N N 15 122.47 0.20 . 1 . . . A 76 PHE N . 25575 1 593 . 1 1 55 55 HIS H H 1 10.30 0.02 . 1 . . . A 77 HIS H . 25575 1 594 . 1 1 55 55 HIS HA H 1 4.28 0.02 . 1 . . . A 77 HIS HA . 25575 1 595 . 1 1 55 55 HIS HB2 H 1 3.87 0.02 . 2 . . . A 77 HIS HB2 . 25575 1 596 . 1 1 55 55 HIS HB3 H 1 2.81 0.02 . 2 . . . A 77 HIS HB3 . 25575 1 597 . 1 1 55 55 HIS HD2 H 1 6.78 0.02 . 1 . . . A 77 HIS HD2 . 25575 1 598 . 1 1 55 55 HIS HE1 H 1 8.29 0.02 . 1 . . . A 77 HIS HE1 . 25575 1 599 . 1 1 55 55 HIS CA C 13 63.88 0.20 . 1 . . . A 77 HIS CA . 25575 1 600 . 1 1 55 55 HIS CB C 13 29.60 0.20 . 1 . . . A 77 HIS CB . 25575 1 601 . 1 1 55 55 HIS CD2 C 13 117.69 0.20 . 1 . . . A 77 HIS CD2 . 25575 1 602 . 1 1 55 55 HIS CE1 C 13 139.76 0.20 . 1 . . . A 77 HIS CE1 . 25575 1 603 . 1 1 55 55 HIS N N 15 124.58 0.20 . 1 . . . A 77 HIS N . 25575 1 604 . 1 1 56 56 LYS H H 1 8.96 0.02 . 1 . . . A 78 LYS H . 25575 1 605 . 1 1 56 56 LYS HA H 1 3.86 0.02 . 1 . . . A 78 LYS HA . 25575 1 606 . 1 1 56 56 LYS HB2 H 1 2.16 0.02 . 2 . . . A 78 LYS HB2 . 25575 1 607 . 1 1 56 56 LYS HB3 H 1 1.98 0.02 . 2 . . . A 78 LYS HB3 . 25575 1 608 . 1 1 56 56 LYS HG2 H 1 1.50 0.02 . 2 . . . A 78 LYS HG2 . 25575 1 609 . 1 1 56 56 LYS HG3 H 1 1.23 0.02 . 2 . . . A 78 LYS HG3 . 25575 1 610 . 1 1 56 56 LYS HD2 H 1 1.84 0.02 . 2 . . . A 78 LYS HD2 . 25575 1 611 . 1 1 56 56 LYS HD3 H 1 1.70 0.02 . 2 . . . A 78 LYS HD3 . 25575 1 612 . 1 1 56 56 LYS HE2 H 1 2.97 0.02 . 2 . . . A 78 LYS HE2 . 25575 1 613 . 1 1 56 56 LYS HE3 H 1 2.97 0.02 . 2 . . . A 78 LYS HE3 . 25575 1 614 . 1 1 56 56 LYS CA C 13 60.55 0.20 . 1 . . . A 78 LYS CA . 25575 1 615 . 1 1 56 56 LYS CB C 13 32.04 0.20 . 1 . . . A 78 LYS CB . 25575 1 616 . 1 1 56 56 LYS CG C 13 23.96 0.20 . 1 . . . A 78 LYS CG . 25575 1 617 . 1 1 56 56 LYS CD C 13 29.34 0.20 . 1 . . . A 78 LYS CD . 25575 1 618 . 1 1 56 56 LYS CE C 13 41.93 0.20 . 1 . . . A 78 LYS CE . 25575 1 619 . 1 1 56 56 LYS N N 15 122.93 0.20 . 1 . . . A 78 LYS N . 25575 1 620 . 1 1 57 57 ASN H H 1 8.23 0.02 . 1 . . . A 79 ASN H . 25575 1 621 . 1 1 57 57 ASN HA H 1 4.42 0.02 . 1 . . . A 79 ASN HA . 25575 1 622 . 1 1 57 57 ASN HB2 H 1 2.81 0.02 . 2 . . . A 79 ASN HB2 . 25575 1 623 . 1 1 57 57 ASN HB3 H 1 2.74 0.02 . 2 . . . A 79 ASN HB3 . 25575 1 624 . 1 1 57 57 ASN CA C 13 56.03 0.20 . 1 . . . A 79 ASN CA . 25575 1 625 . 1 1 57 57 ASN CB C 13 38.10 0.20 . 1 . . . A 79 ASN CB . 25575 1 626 . 1 1 57 57 ASN N N 15 116.67 0.20 . 1 . . . A 79 ASN N . 25575 1 627 . 1 1 58 58 PHE H H 1 8.20 0.02 . 1 . . . A 80 PHE H . 25575 1 628 . 1 1 58 58 PHE HA H 1 4.18 0.02 . 1 . . . A 80 PHE HA . 25575 1 629 . 1 1 58 58 PHE HB2 H 1 3.02 0.02 . 2 . . . A 80 PHE HB2 . 25575 1 630 . 1 1 58 58 PHE HB3 H 1 2.85 0.02 . 2 . . . A 80 PHE HB3 . 25575 1 631 . 1 1 58 58 PHE HD1 H 1 7.12 0.02 . 1 . . . A 80 PHE HD1 . 25575 1 632 . 1 1 58 58 PHE HD2 H 1 7.12 0.02 . 1 . . . A 80 PHE HD2 . 25575 1 633 . 1 1 58 58 PHE HE1 H 1 7.36 0.02 . 1 . . . A 80 PHE HE1 . 25575 1 634 . 1 1 58 58 PHE HE2 H 1 7.36 0.02 . 1 . . . A 80 PHE HE2 . 25575 1 635 . 1 1 58 58 PHE HZ H 1 7.44 0.02 . 1 . . . A 80 PHE HZ . 25575 1 636 . 1 1 58 58 PHE CA C 13 60.70 0.20 . 1 . . . A 80 PHE CA . 25575 1 637 . 1 1 58 58 PHE CB C 13 39.84 0.20 . 1 . . . A 80 PHE CB . 25575 1 638 . 1 1 58 58 PHE CD1 C 13 131.27 0.20 . 1 . . . A 80 PHE CD1 . 25575 1 639 . 1 1 58 58 PHE CD2 C 13 131.27 0.20 . 1 . . . A 80 PHE CD2 . 25575 1 640 . 1 1 58 58 PHE CE1 C 13 131.64 0.20 . 1 . . . A 80 PHE CE1 . 25575 1 641 . 1 1 58 58 PHE CE2 C 13 131.64 0.20 . 1 . . . A 80 PHE CE2 . 25575 1 642 . 1 1 58 58 PHE CZ C 13 130.74 0.20 . 1 . . . A 80 PHE CZ . 25575 1 643 . 1 1 58 58 PHE N N 15 122.60 0.20 . 1 . . . A 80 PHE N . 25575 1 644 . 1 1 59 59 ILE H H 1 8.52 0.02 . 1 . . . A 81 ILE H . 25575 1 645 . 1 1 59 59 ILE HA H 1 3.32 0.02 . 1 . . . A 81 ILE HA . 25575 1 646 . 1 1 59 59 ILE HB H 1 1.90 0.02 . 1 . . . A 81 ILE HB . 25575 1 647 . 1 1 59 59 ILE HG12 H 1 1.93 0.02 . 2 . . . A 81 ILE HG12 . 25575 1 648 . 1 1 59 59 ILE HG13 H 1 0.93 0.02 . 2 . . . A 81 ILE HG13 . 25575 1 649 . 1 1 59 59 ILE HG21 H 1 0.88 0.02 . 1 . . . A 81 ILE HG21 . 25575 1 650 . 1 1 59 59 ILE HG22 H 1 0.88 0.02 . 1 . . . A 81 ILE HG22 . 25575 1 651 . 1 1 59 59 ILE HG23 H 1 0.88 0.02 . 1 . . . A 81 ILE HG23 . 25575 1 652 . 1 1 59 59 ILE HD11 H 1 0.82 0.02 . 1 . . . A 81 ILE HD11 . 25575 1 653 . 1 1 59 59 ILE HD12 H 1 0.82 0.02 . 1 . . . A 81 ILE HD12 . 25575 1 654 . 1 1 59 59 ILE HD13 H 1 0.82 0.02 . 1 . . . A 81 ILE HD13 . 25575 1 655 . 1 1 59 59 ILE CA C 13 65.16 0.20 . 1 . . . A 81 ILE CA . 25575 1 656 . 1 1 59 59 ILE CB C 13 38.44 0.20 . 1 . . . A 81 ILE CB . 25575 1 657 . 1 1 59 59 ILE CG1 C 13 30.07 0.20 . 1 . . . A 81 ILE CG1 . 25575 1 658 . 1 1 59 59 ILE CG2 C 13 17.71 0.20 . 1 . . . A 81 ILE CG2 . 25575 1 659 . 1 1 59 59 ILE CD1 C 13 14.20 0.20 . 1 . . . A 81 ILE CD1 . 25575 1 660 . 1 1 59 59 ILE N N 15 118.24 0.20 . 1 . . . A 81 ILE N . 25575 1 661 . 1 1 60 60 GLN H H 1 7.67 0.02 . 1 . . . A 82 GLN H . 25575 1 662 . 1 1 60 60 GLN HA H 1 4.10 0.02 . 1 . . . A 82 GLN HA . 25575 1 663 . 1 1 60 60 GLN HB2 H 1 2.15 0.02 . 2 . . . A 82 GLN HB2 . 25575 1 664 . 1 1 60 60 GLN HB3 H 1 2.15 0.02 . 2 . . . A 82 GLN HB3 . 25575 1 665 . 1 1 60 60 GLN HG2 H 1 2.53 0.02 . 2 . . . A 82 GLN HG2 . 25575 1 666 . 1 1 60 60 GLN HG3 H 1 2.45 0.02 . 2 . . . A 82 GLN HG3 . 25575 1 667 . 1 1 60 60 GLN CA C 13 57.71 0.20 . 1 . . . A 82 GLN CA . 25575 1 668 . 1 1 60 60 GLN CB C 13 28.71 0.20 . 1 . . . A 82 GLN CB . 25575 1 669 . 1 1 60 60 GLN CG C 13 34.07 0.20 . 1 . . . A 82 GLN CG . 25575 1 670 . 1 1 60 60 GLN N N 15 116.37 0.20 . 1 . . . A 82 GLN N . 25575 1 671 . 1 1 61 61 SER H H 1 7.81 0.02 . 1 . . . A 83 SER H . 25575 1 672 . 1 1 61 61 SER HA H 1 4.30 0.02 . 1 . . . A 83 SER HA . 25575 1 673 . 1 1 61 61 SER HB2 H 1 3.92 0.02 . 2 . . . A 83 SER HB2 . 25575 1 674 . 1 1 61 61 SER HB3 H 1 3.92 0.02 . 2 . . . A 83 SER HB3 . 25575 1 675 . 1 1 61 61 SER CA C 13 60.13 0.20 . 1 . . . A 83 SER CA . 25575 1 676 . 1 1 61 61 SER CB C 13 63.57 0.20 . 1 . . . A 83 SER CB . 25575 1 677 . 1 1 61 61 SER N N 15 114.44 0.20 . 1 . . . A 83 SER N . 25575 1 678 . 1 1 62 62 VAL H H 1 7.79 0.02 . 1 . . . A 84 VAL H . 25575 1 679 . 1 1 62 62 VAL HA H 1 3.97 0.02 . 1 . . . A 84 VAL HA . 25575 1 680 . 1 1 62 62 VAL HB H 1 2.00 0.02 . 1 . . . A 84 VAL HB . 25575 1 681 . 1 1 62 62 VAL HG11 H 1 0.83 0.02 . 2 . . . A 84 VAL HG11 . 25575 1 682 . 1 1 62 62 VAL HG12 H 1 0.83 0.02 . 2 . . . A 84 VAL HG12 . 25575 1 683 . 1 1 62 62 VAL HG13 H 1 0.83 0.02 . 2 . . . A 84 VAL HG13 . 25575 1 684 . 1 1 62 62 VAL HG21 H 1 0.79 0.02 . 2 . . . A 84 VAL HG21 . 25575 1 685 . 1 1 62 62 VAL HG22 H 1 0.79 0.02 . 2 . . . A 84 VAL HG22 . 25575 1 686 . 1 1 62 62 VAL HG23 H 1 0.79 0.02 . 2 . . . A 84 VAL HG23 . 25575 1 687 . 1 1 62 62 VAL CA C 13 63.43 0.20 . 1 . . . A 84 VAL CA . 25575 1 688 . 1 1 62 62 VAL CB C 13 31.96 0.20 . 1 . . . A 84 VAL CB . 25575 1 689 . 1 1 62 62 VAL CG1 C 13 21.37 0.20 . 1 . . . A 84 VAL CG1 . 25575 1 690 . 1 1 62 62 VAL CG2 C 13 21.08 0.20 . 1 . . . A 84 VAL CG2 . 25575 1 691 . 1 1 62 62 VAL N N 15 120.75 0.20 . 1 . . . A 84 VAL N . 25575 1 692 . 1 1 63 63 ARG H H 1 8.09 0.02 . 1 . . . A 85 ARG H . 25575 1 693 . 1 1 63 63 ARG HA H 1 4.24 0.02 . 1 . . . A 85 ARG HA . 25575 1 694 . 1 1 63 63 ARG HB2 H 1 1.88 0.02 . 2 . . . A 85 ARG HB2 . 25575 1 695 . 1 1 63 63 ARG HB3 H 1 1.78 0.02 . 2 . . . A 85 ARG HB3 . 25575 1 696 . 1 1 63 63 ARG HG2 H 1 1.74 0.02 . 2 . . . A 85 ARG HG2 . 25575 1 697 . 1 1 63 63 ARG HG3 H 1 1.64 0.02 . 2 . . . A 85 ARG HG3 . 25575 1 698 . 1 1 63 63 ARG HD2 H 1 3.18 0.02 . 2 . . . A 85 ARG HD2 . 25575 1 699 . 1 1 63 63 ARG HD3 H 1 3.18 0.02 . 2 . . . A 85 ARG HD3 . 25575 1 700 . 1 1 63 63 ARG CA C 13 56.85 0.20 . 1 . . . A 85 ARG CA . 25575 1 701 . 1 1 63 63 ARG CB C 13 30.72 0.20 . 1 . . . A 85 ARG CB . 25575 1 702 . 1 1 63 63 ARG CG C 13 27.09 0.20 . 1 . . . A 85 ARG CG . 25575 1 703 . 1 1 63 63 ARG CD C 13 43.50 0.20 . 1 . . . A 85 ARG CD . 25575 1 704 . 1 1 63 63 ARG N N 15 122.09 0.20 . 1 . . . A 85 ARG N . 25575 1 705 . 1 1 64 64 ASN H H 1 8.22 0.02 . 1 . . . A 86 ASN H . 25575 1 706 . 1 1 64 64 ASN HA H 1 4.69 0.02 . 1 . . . A 86 ASN HA . 25575 1 707 . 1 1 64 64 ASN HB2 H 1 2.85 0.02 . 2 . . . A 86 ASN HB2 . 25575 1 708 . 1 1 64 64 ASN HB3 H 1 2.78 0.02 . 2 . . . A 86 ASN HB3 . 25575 1 709 . 1 1 64 64 ASN CA C 13 53.38 0.20 . 1 . . . A 86 ASN CA . 25575 1 710 . 1 1 64 64 ASN CB C 13 38.95 0.20 . 1 . . . A 86 ASN CB . 25575 1 711 . 1 1 64 64 ASN N N 15 118.51 0.20 . 1 . . . A 86 ASN N . 25575 1 712 . 1 1 65 65 LYS H H 1 8.15 0.02 . 1 . . . A 87 LYS H . 25575 1 713 . 1 1 65 65 LYS HA H 1 4.31 0.02 . 1 . . . A 87 LYS HA . 25575 1 714 . 1 1 65 65 LYS HB2 H 1 1.85 0.02 . 2 . . . A 87 LYS HB2 . 25575 1 715 . 1 1 65 65 LYS HB3 H 1 1.85 0.02 . 2 . . . A 87 LYS HB3 . 25575 1 716 . 1 1 65 65 LYS HG2 H 1 1.47 0.02 . 2 . . . A 87 LYS HG2 . 25575 1 717 . 1 1 65 65 LYS HG3 H 1 1.47 0.02 . 2 . . . A 87 LYS HG3 . 25575 1 718 . 1 1 65 65 LYS HD2 H 1 1.72 0.02 . 2 . . . A 87 LYS HD2 . 25575 1 719 . 1 1 65 65 LYS HD3 H 1 1.72 0.02 . 2 . . . A 87 LYS HD3 . 25575 1 720 . 1 1 65 65 LYS HE2 H 1 3.02 0.02 . 2 . . . A 87 LYS HE2 . 25575 1 721 . 1 1 65 65 LYS HE3 H 1 3.02 0.02 . 2 . . . A 87 LYS HE3 . 25575 1 722 . 1 1 65 65 LYS CA C 13 56.59 0.20 . 1 . . . A 87 LYS CA . 25575 1 723 . 1 1 65 65 LYS CB C 13 32.87 0.20 . 1 . . . A 87 LYS CB . 25575 1 724 . 1 1 65 65 LYS CG C 13 24.75 0.20 . 1 . . . A 87 LYS CG . 25575 1 725 . 1 1 65 65 LYS CD C 13 29.08 0.20 . 1 . . . A 87 LYS CD . 25575 1 726 . 1 1 65 65 LYS CE C 13 42.19 0.20 . 1 . . . A 87 LYS CE . 25575 1 727 . 1 1 65 65 LYS N N 15 121.60 0.20 . 1 . . . A 87 LYS N . 25575 1 728 . 1 1 66 66 ARG H H 1 8.25 0.02 . 1 . . . A 88 ARG H . 25575 1 729 . 1 1 66 66 ARG HA H 1 4.33 0.02 . 1 . . . A 88 ARG HA . 25575 1 730 . 1 1 66 66 ARG HB2 H 1 1.84 0.02 . 2 . . . A 88 ARG HB2 . 25575 1 731 . 1 1 66 66 ARG HB3 H 1 1.84 0.02 . 2 . . . A 88 ARG HB3 . 25575 1 732 . 1 1 66 66 ARG HG2 H 1 1.67 0.02 . 2 . . . A 88 ARG HG2 . 25575 1 733 . 1 1 66 66 ARG HG3 H 1 1.67 0.02 . 2 . . . A 88 ARG HG3 . 25575 1 734 . 1 1 66 66 ARG HD2 H 1 3.23 0.02 . 2 . . . A 88 ARG HD2 . 25575 1 735 . 1 1 66 66 ARG HD3 H 1 3.23 0.02 . 2 . . . A 88 ARG HD3 . 25575 1 736 . 1 1 66 66 ARG CA C 13 56.11 0.20 . 1 . . . A 88 ARG CA . 25575 1 737 . 1 1 66 66 ARG CB C 13 30.87 0.20 . 1 . . . A 88 ARG CB . 25575 1 738 . 1 1 66 66 ARG CG C 13 27.07 0.20 . 1 . . . A 88 ARG CG . 25575 1 739 . 1 1 66 66 ARG CD C 13 43.41 0.20 . 1 . . . A 88 ARG CD . 25575 1 740 . 1 1 66 66 ARG N N 15 121.92 0.20 . 1 . . . A 88 ARG N . 25575 1 741 . 1 1 67 67 LYS H H 1 8.32 0.02 . 1 . . . A 89 LYS H . 25575 1 742 . 1 1 67 67 LYS HA H 1 4.32 0.02 . 1 . . . A 89 LYS HA . 25575 1 743 . 1 1 67 67 LYS HB2 H 1 1.85 0.02 . 2 . . . A 89 LYS HB2 . 25575 1 744 . 1 1 67 67 LYS HB3 H 1 1.85 0.02 . 2 . . . A 89 LYS HB3 . 25575 1 745 . 1 1 67 67 LYS HG2 H 1 1.47 0.02 . 2 . . . A 89 LYS HG2 . 25575 1 746 . 1 1 67 67 LYS HG3 H 1 1.47 0.02 . 2 . . . A 89 LYS HG3 . 25575 1 747 . 1 1 67 67 LYS HD2 H 1 1.73 0.02 . 2 . . . A 89 LYS HD2 . 25575 1 748 . 1 1 67 67 LYS HD3 H 1 1.73 0.02 . 2 . . . A 89 LYS HD3 . 25575 1 749 . 1 1 67 67 LYS HE2 H 1 3.04 0.02 . 2 . . . A 89 LYS HE2 . 25575 1 750 . 1 1 67 67 LYS HE3 H 1 3.04 0.02 . 2 . . . A 89 LYS HE3 . 25575 1 751 . 1 1 67 67 LYS CA C 13 56.33 0.20 . 1 . . . A 89 LYS CA . 25575 1 752 . 1 1 67 67 LYS CB C 13 33.14 0.20 . 1 . . . A 89 LYS CB . 25575 1 753 . 1 1 67 67 LYS CG C 13 24.73 0.20 . 1 . . . A 89 LYS CG . 25575 1 754 . 1 1 67 67 LYS CD C 13 29.11 0.20 . 1 . . . A 89 LYS CD . 25575 1 755 . 1 1 67 67 LYS CE C 13 42.17 0.20 . 1 . . . A 89 LYS CE . 25575 1 756 . 1 1 67 67 LYS N N 15 123.02 0.20 . 1 . . . A 89 LYS N . 25575 1 757 . 1 1 68 68 ARG H H 1 8.36 0.02 . 1 . . . A 90 ARG H . 25575 1 758 . 1 1 68 68 ARG HA H 1 4.36 0.02 . 1 . . . A 90 ARG HA . 25575 1 759 . 1 1 68 68 ARG HB2 H 1 1.84 0.02 . 2 . . . A 90 ARG HB2 . 25575 1 760 . 1 1 68 68 ARG HB3 H 1 1.84 0.02 . 2 . . . A 90 ARG HB3 . 25575 1 761 . 1 1 68 68 ARG HG2 H 1 1.65 0.02 . 2 . . . A 90 ARG HG2 . 25575 1 762 . 1 1 68 68 ARG HG3 H 1 1.65 0.02 . 2 . . . A 90 ARG HG3 . 25575 1 763 . 1 1 68 68 ARG HD2 H 1 3.22 0.02 . 2 . . . A 90 ARG HD2 . 25575 1 764 . 1 1 68 68 ARG HD3 H 1 3.22 0.02 . 2 . . . A 90 ARG HD3 . 25575 1 765 . 1 1 68 68 ARG CA C 13 56.10 0.20 . 1 . . . A 90 ARG CA . 25575 1 766 . 1 1 68 68 ARG CB C 13 31.21 0.20 . 1 . . . A 90 ARG CB . 25575 1 767 . 1 1 68 68 ARG CG C 13 27.06 0.20 . 1 . . . A 90 ARG CG . 25575 1 768 . 1 1 68 68 ARG CD C 13 43.41 0.20 . 1 . . . A 90 ARG CD . 25575 1 769 . 1 1 68 68 ARG N N 15 122.97 0.20 . 1 . . . A 90 ARG N . 25575 1 770 . 1 1 69 69 LYS H H 1 8.45 0.02 . 1 . . . A 91 LYS H . 25575 1 771 . 1 1 69 69 LYS HA H 1 4.38 0.02 . 1 . . . A 91 LYS HA . 25575 1 772 . 1 1 69 69 LYS HB2 H 1 1.73 0.02 . 2 . . . A 91 LYS HB2 . 25575 1 773 . 1 1 69 69 LYS HB3 H 1 1.73 0.02 . 2 . . . A 91 LYS HB3 . 25575 1 774 . 1 1 69 69 LYS HG2 H 1 1.48 0.02 . 2 . . . A 91 LYS HG2 . 25575 1 775 . 1 1 69 69 LYS HG3 H 1 1.48 0.02 . 2 . . . A 91 LYS HG3 . 25575 1 776 . 1 1 69 69 LYS HD2 H 1 1.87 0.02 . 2 . . . A 91 LYS HD2 . 25575 1 777 . 1 1 69 69 LYS HD3 H 1 1.87 0.02 . 2 . . . A 91 LYS HD3 . 25575 1 778 . 1 1 69 69 LYS HE2 H 1 3.04 0.02 . 2 . . . A 91 LYS HE2 . 25575 1 779 . 1 1 69 69 LYS HE3 H 1 3.04 0.02 . 2 . . . A 91 LYS HE3 . 25575 1 780 . 1 1 69 69 LYS CA C 13 56.62 0.20 . 1 . . . A 91 LYS CA . 25575 1 781 . 1 1 69 69 LYS CB C 13 33.07 0.20 . 1 . . . A 91 LYS CB . 25575 1 782 . 1 1 69 69 LYS CG C 13 24.64 0.20 . 1 . . . A 91 LYS CG . 25575 1 783 . 1 1 69 69 LYS CD C 13 29.08 0.20 . 1 . . . A 91 LYS CD . 25575 1 784 . 1 1 69 69 LYS CE C 13 42.17 0.20 . 1 . . . A 91 LYS CE . 25575 1 785 . 1 1 69 69 LYS N N 15 123.68 0.20 . 1 . . . A 91 LYS N . 25575 1 786 . 1 1 70 70 THR H H 1 7.80 0.02 . 1 . . . A 92 THR H . 25575 1 787 . 1 1 70 70 THR HA H 1 4.16 0.02 . 1 . . . A 92 THR HA . 25575 1 788 . 1 1 70 70 THR HB H 1 4.25 0.02 . 1 . . . A 92 THR HB . 25575 1 789 . 1 1 70 70 THR HG21 H 1 1.18 0.02 . 1 . . . A 92 THR HG21 . 25575 1 790 . 1 1 70 70 THR HG22 H 1 1.18 0.02 . 1 . . . A 92 THR HG22 . 25575 1 791 . 1 1 70 70 THR HG23 H 1 1.18 0.02 . 1 . . . A 92 THR HG23 . 25575 1 792 . 1 1 70 70 THR CA C 13 63.19 0.20 . 1 . . . A 92 THR CA . 25575 1 793 . 1 1 70 70 THR CB C 13 70.61 0.20 . 1 . . . A 92 THR CB . 25575 1 794 . 1 1 70 70 THR CG2 C 13 22.07 0.20 . 1 . . . A 92 THR CG2 . 25575 1 795 . 1 1 70 70 THR N N 15 120.87 0.20 . 1 . . . A 92 THR N . 25575 1 stop_ save_