data_10243 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10243 _Entry.Title ; Solution structures of the C2H2 type zinc finger domain of human Zinc finger protein 24 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-24 _Entry.Accession_date 2008-10-28 _Entry.Last_release_date 2009-11-03 _Entry.Original_release_date 2009-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10243 2 T. Tomizawa . . . 10243 3 S. Koshiba . . . 10243 4 M. Inoue . . . 10243 5 T. Kigawa . . . 10243 6 S. Yokoyama . . . 10243 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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10243 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10243 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 268 10243 '15N chemical shifts' 62 10243 '1H chemical shifts' 411 10243 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-11-03 2008-10-24 original author . 10243 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X6E 'BMRB Entry Tracking System' 10243 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10243 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structures of the C2H2 type zinc finger domain of human Zinc finger protein 24 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Sato . . . 10243 1 2 T. Tomizawa . . . 10243 1 3 S. Koshiba . . . 10243 1 4 M. Inoue . . . 10243 1 5 T. Kigawa . . . 10243 1 6 S. Yokoyama . . . 10243 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10243 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein 24' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions 2 _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 'C2H2 type zinc finger domain' 1 $entity_1 . . yes native no no . . . 10243 1 2 'ZINC ION no.1' 2 $ZN . . no native no no . . . 10243 1 3 'ZINC ION no.2' 2 $ZN . . no native no no . . . 10243 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 17 17 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 17 CYS SG . . . . ZN 10243 1 2 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 20 20 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 20 CYS SG . . . . ZN 10243 1 3 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 33 33 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 33 HIS NE2 . . . . ZN 10243 1 4 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 37 37 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 37 HIS NE2 . . . . ZN 10243 1 5 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 45 45 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 45 CYS SG . . . . ZN 10243 1 6 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 48 48 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 10243 1 7 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 61 61 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 61 HIS NE2 . . . . ZN 10243 1 8 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 65 65 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 65 HIS NE2 . . . . ZN 10243 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 61 61 HE2 . 61 HIS HE2 10243 1 . . 1 1 HIS 65 65 HE2 . 65 HIS HE2 10243 1 . . 1 1 CYS 45 45 HG . 45 CYS HG 10243 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 10243 1 . . 1 1 HIS 33 33 HE2 . 33 HIS HE2 10243 1 . . 1 1 HIS 37 37 HE2 . 37 HIS HE2 10243 1 . . 1 1 CYS 17 17 HG . 17 CYS HG 10243 1 . . 1 1 CYS 20 20 HG . 20 CYS HG 10243 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1X6E . . . . . . 10243 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10243 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2H2 type zinc finger domain' _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 ; GSSGSSGIHSGEKPYGCVEC GKAFSRSSILVQHQRVHTGE KPYKCLECGKAFSQNSGLIN HQRIHTSGPSSG ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1X6E . "Solution Structures Of The C2h2 Type Zinc Finger Domain Of Human Zinc Finger Protein 24" . . . . . 100.00 72 100.00 100.00 7.66e-43 . . . . 10243 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10243 1 2 . SER . 10243 1 3 . SER . 10243 1 4 . GLY . 10243 1 5 . SER . 10243 1 6 . SER . 10243 1 7 . GLY . 10243 1 8 . ILE . 10243 1 9 . HIS . 10243 1 10 . SER . 10243 1 11 . GLY . 10243 1 12 . GLU . 10243 1 13 . LYS . 10243 1 14 . PRO . 10243 1 15 . TYR . 10243 1 16 . GLY . 10243 1 17 . CYS . 10243 1 18 . VAL . 10243 1 19 . GLU . 10243 1 20 . CYS . 10243 1 21 . GLY . 10243 1 22 . LYS . 10243 1 23 . ALA . 10243 1 24 . PHE . 10243 1 25 . SER . 10243 1 26 . ARG . 10243 1 27 . SER . 10243 1 28 . SER . 10243 1 29 . ILE . 10243 1 30 . LEU . 10243 1 31 . VAL . 10243 1 32 . GLN . 10243 1 33 . HIS . 10243 1 34 . GLN . 10243 1 35 . ARG . 10243 1 36 . VAL . 10243 1 37 . HIS . 10243 1 38 . THR . 10243 1 39 . GLY . 10243 1 40 . GLU . 10243 1 41 . LYS . 10243 1 42 . PRO . 10243 1 43 . TYR . 10243 1 44 . LYS . 10243 1 45 . CYS . 10243 1 46 . LEU . 10243 1 47 . GLU . 10243 1 48 . CYS . 10243 1 49 . GLY . 10243 1 50 . LYS . 10243 1 51 . ALA . 10243 1 52 . PHE . 10243 1 53 . SER . 10243 1 54 . GLN . 10243 1 55 . ASN . 10243 1 56 . SER . 10243 1 57 . GLY . 10243 1 58 . LEU . 10243 1 59 . ILE . 10243 1 60 . ASN . 10243 1 61 . HIS . 10243 1 62 . GLN . 10243 1 63 . ARG . 10243 1 64 . ILE . 10243 1 65 . HIS . 10243 1 66 . THR . 10243 1 67 . SER . 10243 1 68 . GLY . 10243 1 69 . PRO . 10243 1 70 . SER . 10243 1 71 . SER . 10243 1 72 . GLY . 10243 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 10243 1 . SER 2 2 10243 1 . SER 3 3 10243 1 . GLY 4 4 10243 1 . SER 5 5 10243 1 . SER 6 6 10243 1 . GLY 7 7 10243 1 . ILE 8 8 10243 1 . HIS 9 9 10243 1 . SER 10 10 10243 1 . GLY 11 11 10243 1 . GLU 12 12 10243 1 . LYS 13 13 10243 1 . PRO 14 14 10243 1 . TYR 15 15 10243 1 . GLY 16 16 10243 1 . CYS 17 17 10243 1 . VAL 18 18 10243 1 . GLU 19 19 10243 1 . CYS 20 20 10243 1 . GLY 21 21 10243 1 . LYS 22 22 10243 1 . ALA 23 23 10243 1 . PHE 24 24 10243 1 . SER 25 25 10243 1 . ARG 26 26 10243 1 . SER 27 27 10243 1 . SER 28 28 10243 1 . ILE 29 29 10243 1 . LEU 30 30 10243 1 . VAL 31 31 10243 1 . GLN 32 32 10243 1 . HIS 33 33 10243 1 . GLN 34 34 10243 1 . ARG 35 35 10243 1 . VAL 36 36 10243 1 . HIS 37 37 10243 1 . THR 38 38 10243 1 . GLY 39 39 10243 1 . GLU 40 40 10243 1 . LYS 41 41 10243 1 . PRO 42 42 10243 1 . TYR 43 43 10243 1 . LYS 44 44 10243 1 . CYS 45 45 10243 1 . LEU 46 46 10243 1 . GLU 47 47 10243 1 . CYS 48 48 10243 1 . GLY 49 49 10243 1 . LYS 50 50 10243 1 . ALA 51 51 10243 1 . PHE 52 52 10243 1 . SER 53 53 10243 1 . GLN 54 54 10243 1 . ASN 55 55 10243 1 . SER 56 56 10243 1 . GLY 57 57 10243 1 . LEU 58 58 10243 1 . ILE 59 59 10243 1 . ASN 60 60 10243 1 . HIS 61 61 10243 1 . GLN 62 62 10243 1 . ARG 63 63 10243 1 . ILE 64 64 10243 1 . HIS 65 65 10243 1 . THR 66 66 10243 1 . SER 67 67 10243 1 . GLY 68 68 10243 1 . PRO 69 69 10243 1 . SER 70 70 10243 1 . SER 71 71 10243 1 . GLY 72 72 10243 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10243 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _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 . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 10243 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 10243 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10243 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 10243 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040712-01 . . . . . . 10243 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 10243 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 10243 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 10243 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 10243 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 10243 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 10243 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . no no . . . . . . . . . . . . . . . 10243 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10243 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C2H2 type zinc finger domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10243 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10243 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10243 1 4 d-DTT . . . . . . salt 5 . . mM . . . . 10243 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10243 1 6 ZnCl2 . . . . . . salt 0.01 . . mM . . . . 10243 1 7 H2O . . . . . . solvent 90 . . % . . . . 10243 1 8 D2O . . . . . . solvent 10 . . % . . . . 10243 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10243 _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' 120 0.1 mM 10243 1 pH 7.0 0.05 pH 10243 1 pressure 1 0.001 atm 10243 1 temperature 296 0.1 K 10243 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10243 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10243 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10243 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10243 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10243 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10243 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10243 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10243 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10243 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10243 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10243 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10243 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10243 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10243 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10243 5 'structure solution' 10243 5 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 10243 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10243 _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 . 900 . . . 10243 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 10243 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10243 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10243 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10243 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10243 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10243 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10243 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10243 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10243 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10243 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.957 0.030 . 1 . . . . 7 GLY HA2 . 10243 1 2 . 1 1 7 7 GLY HA3 H 1 3.957 0.030 . 1 . . . . 7 GLY HA3 . 10243 1 3 . 1 1 7 7 GLY C C 13 174.124 0.300 . 1 . . . . 7 GLY C . 10243 1 4 . 1 1 7 7 GLY CA C 13 45.359 0.300 . 1 . . . . 7 GLY CA . 10243 1 5 . 1 1 8 8 ILE H H 1 7.939 0.030 . 1 . . . . 8 ILE H . 10243 1 6 . 1 1 8 8 ILE HA H 1 4.106 0.030 . 1 . . . . 8 ILE HA . 10243 1 7 . 1 1 8 8 ILE HB H 1 1.760 0.030 . 1 . . . . 8 ILE HB . 10243 1 8 . 1 1 8 8 ILE HD11 H 1 0.790 0.030 . 1 . . . . 8 ILE HD1 . 10243 1 9 . 1 1 8 8 ILE HD12 H 1 0.790 0.030 . 1 . . . . 8 ILE HD1 . 10243 1 10 . 1 1 8 8 ILE HD13 H 1 0.790 0.030 . 1 . . . . 8 ILE HD1 . 10243 1 11 . 1 1 8 8 ILE HG12 H 1 1.263 0.030 . 2 . . . . 8 ILE HG12 . 10243 1 12 . 1 1 8 8 ILE HG13 H 1 1.065 0.030 . 2 . . . . 8 ILE HG13 . 10243 1 13 . 1 1 8 8 ILE HG21 H 1 0.779 0.030 . 1 . . . . 8 ILE HG2 . 10243 1 14 . 1 1 8 8 ILE HG22 H 1 0.779 0.030 . 1 . . . . 8 ILE HG2 . 10243 1 15 . 1 1 8 8 ILE HG23 H 1 0.779 0.030 . 1 . . . . 8 ILE HG2 . 10243 1 16 . 1 1 8 8 ILE C C 13 176.213 0.300 . 1 . . . . 8 ILE C . 10243 1 17 . 1 1 8 8 ILE CA C 13 61.378 0.300 . 1 . . . . 8 ILE CA . 10243 1 18 . 1 1 8 8 ILE CB C 13 38.603 0.300 . 1 . . . . 8 ILE CB . 10243 1 19 . 1 1 8 8 ILE CD1 C 13 12.994 0.300 . 1 . . . . 8 ILE CD1 . 10243 1 20 . 1 1 8 8 ILE CG1 C 13 27.037 0.300 . 1 . . . . 8 ILE CG1 . 10243 1 21 . 1 1 8 8 ILE CG2 C 13 17.332 0.300 . 1 . . . . 8 ILE CG2 . 10243 1 22 . 1 1 8 8 ILE N N 15 119.652 0.300 . 1 . . . . 8 ILE N . 10243 1 23 . 1 1 9 9 HIS H H 1 8.409 0.030 . 1 . . . . 9 HIS H . 10243 1 24 . 1 1 9 9 HIS C C 13 175.436 0.300 . 1 . . . . 9 HIS C . 10243 1 25 . 1 1 9 9 HIS CA C 13 56.065 0.300 . 1 . . . . 9 HIS CA . 10243 1 26 . 1 1 9 9 HIS CB C 13 30.677 0.300 . 1 . . . . 9 HIS CB . 10243 1 27 . 1 1 9 9 HIS N N 15 123.607 0.300 . 1 . . . . 9 HIS N . 10243 1 28 . 1 1 10 10 SER HA H 1 4.484 0.030 . 1 . . . . 10 SER HA . 10243 1 29 . 1 1 10 10 SER HB2 H 1 3.905 0.030 . 1 . . . . 10 SER HB2 . 10243 1 30 . 1 1 10 10 SER HB3 H 1 3.905 0.030 . 1 . . . . 10 SER HB3 . 10243 1 31 . 1 1 10 10 SER C C 13 174.981 0.300 . 1 . . . . 10 SER C . 10243 1 32 . 1 1 10 10 SER CA C 13 58.621 0.300 . 1 . . . . 10 SER CA . 10243 1 33 . 1 1 10 10 SER CB C 13 63.732 0.300 . 1 . . . . 10 SER CB . 10243 1 34 . 1 1 11 11 GLY H H 1 8.447 0.030 . 1 . . . . 11 GLY H . 10243 1 35 . 1 1 11 11 GLY HA2 H 1 3.936 0.030 . 1 . . . . 11 GLY HA2 . 10243 1 36 . 1 1 11 11 GLY HA3 H 1 3.936 0.030 . 1 . . . . 11 GLY HA3 . 10243 1 37 . 1 1 11 11 GLY C C 13 174.112 0.300 . 1 . . . . 11 GLY C . 10243 1 38 . 1 1 11 11 GLY CA C 13 45.292 0.300 . 1 . . . . 11 GLY CA . 10243 1 39 . 1 1 11 11 GLY N N 15 110.887 0.300 . 1 . . . . 11 GLY N . 10243 1 40 . 1 1 12 12 GLU H H 1 8.200 0.030 . 1 . . . . 12 GLU H . 10243 1 41 . 1 1 12 12 GLU HA H 1 4.174 0.030 . 1 . . . . 12 GLU HA . 10243 1 42 . 1 1 12 12 GLU HB2 H 1 1.983 0.030 . 2 . . . . 12 GLU HB2 . 10243 1 43 . 1 1 12 12 GLU HB3 H 1 1.899 0.030 . 2 . . . . 12 GLU HB3 . 10243 1 44 . 1 1 12 12 GLU HG2 H 1 2.257 0.030 . 2 . . . . 12 GLU HG2 . 10243 1 45 . 1 1 12 12 GLU HG3 H 1 2.195 0.030 . 2 . . . . 12 GLU HG3 . 10243 1 46 . 1 1 12 12 GLU C C 13 176.545 0.300 . 1 . . . . 12 GLU C . 10243 1 47 . 1 1 12 12 GLU CA C 13 56.962 0.300 . 1 . . . . 12 GLU CA . 10243 1 48 . 1 1 12 12 GLU CB C 13 30.388 0.300 . 1 . . . . 12 GLU CB . 10243 1 49 . 1 1 12 12 GLU CG C 13 36.337 0.300 . 1 . . . . 12 GLU CG . 10243 1 50 . 1 1 12 12 GLU N N 15 120.059 0.300 . 1 . . . . 12 GLU N . 10243 1 51 . 1 1 13 13 LYS H H 1 8.280 0.030 . 1 . . . . 13 LYS H . 10243 1 52 . 1 1 13 13 LYS HA H 1 4.434 0.030 . 1 . . . . 13 LYS HA . 10243 1 53 . 1 1 13 13 LYS HB2 H 1 1.520 0.030 . 2 . . . . 13 LYS HB2 . 10243 1 54 . 1 1 13 13 LYS HB3 H 1 1.330 0.030 . 2 . . . . 13 LYS HB3 . 10243 1 55 . 1 1 13 13 LYS HD2 H 1 1.530 0.030 . 2 . . . . 13 LYS HD2 . 10243 1 56 . 1 1 13 13 LYS HD3 H 1 1.452 0.030 . 2 . . . . 13 LYS HD3 . 10243 1 57 . 1 1 13 13 LYS HE2 H 1 2.902 0.030 . 1 . . . . 13 LYS HE2 . 10243 1 58 . 1 1 13 13 LYS HE3 H 1 2.902 0.030 . 1 . . . . 13 LYS HE3 . 10243 1 59 . 1 1 13 13 LYS HG2 H 1 1.270 0.030 . 2 . . . . 13 LYS HG2 . 10243 1 60 . 1 1 13 13 LYS HG3 H 1 1.106 0.030 . 2 . . . . 13 LYS HG3 . 10243 1 61 . 1 1 13 13 LYS C C 13 173.760 0.300 . 1 . . . . 13 LYS C . 10243 1 62 . 1 1 13 13 LYS CA C 13 53.742 0.300 . 1 . . . . 13 LYS CA . 10243 1 63 . 1 1 13 13 LYS CB C 13 33.067 0.300 . 1 . . . . 13 LYS CB . 10243 1 64 . 1 1 13 13 LYS CD C 13 29.468 0.300 . 1 . . . . 13 LYS CD . 10243 1 65 . 1 1 13 13 LYS CE C 13 42.366 0.300 . 1 . . . . 13 LYS CE . 10243 1 66 . 1 1 13 13 LYS CG C 13 24.837 0.300 . 1 . . . . 13 LYS CG . 10243 1 67 . 1 1 13 13 LYS N N 15 121.235 0.300 . 1 . . . . 13 LYS N . 10243 1 68 . 1 1 14 14 PRO HA H 1 4.268 0.030 . 1 . . . . 14 PRO HA . 10243 1 69 . 1 1 14 14 PRO HB2 H 1 1.986 0.030 . 2 . . . . 14 PRO HB2 . 10243 1 70 . 1 1 14 14 PRO HB3 H 1 1.212 0.030 . 2 . . . . 14 PRO HB3 . 10243 1 71 . 1 1 14 14 PRO HD2 H 1 3.565 0.030 . 1 . . . . 14 PRO HD2 . 10243 1 72 . 1 1 14 14 PRO HD3 H 1 3.565 0.030 . 1 . . . . 14 PRO HD3 . 10243 1 73 . 1 1 14 14 PRO HG2 H 1 1.762 0.030 . 2 . . . . 14 PRO HG2 . 10243 1 74 . 1 1 14 14 PRO HG3 H 1 1.569 0.030 . 2 . . . . 14 PRO HG3 . 10243 1 75 . 1 1 14 14 PRO C C 13 176.391 0.300 . 1 . . . . 14 PRO C . 10243 1 76 . 1 1 14 14 PRO CA C 13 63.473 0.300 . 1 . . . . 14 PRO CA . 10243 1 77 . 1 1 14 14 PRO CB C 13 32.243 0.300 . 1 . . . . 14 PRO CB . 10243 1 78 . 1 1 14 14 PRO CD C 13 50.168 0.300 . 1 . . . . 14 PRO CD . 10243 1 79 . 1 1 14 14 PRO CG C 13 26.585 0.300 . 1 . . . . 14 PRO CG . 10243 1 80 . 1 1 15 15 TYR H H 1 7.898 0.030 . 1 . . . . 15 TYR H . 10243 1 81 . 1 1 15 15 TYR HA H 1 4.609 0.030 . 1 . . . . 15 TYR HA . 10243 1 82 . 1 1 15 15 TYR HB2 H 1 2.911 0.030 . 2 . . . . 15 TYR HB2 . 10243 1 83 . 1 1 15 15 TYR HB3 H 1 2.769 0.030 . 2 . . . . 15 TYR HB3 . 10243 1 84 . 1 1 15 15 TYR HD1 H 1 7.004 0.030 . 1 . . . . 15 TYR HD1 . 10243 1 85 . 1 1 15 15 TYR HD2 H 1 7.004 0.030 . 1 . . . . 15 TYR HD2 . 10243 1 86 . 1 1 15 15 TYR HE1 H 1 6.873 0.030 . 1 . . . . 15 TYR HE1 . 10243 1 87 . 1 1 15 15 TYR HE2 H 1 6.873 0.030 . 1 . . . . 15 TYR HE2 . 10243 1 88 . 1 1 15 15 TYR C C 13 175.259 0.300 . 1 . . . . 15 TYR C . 10243 1 89 . 1 1 15 15 TYR CA C 13 57.252 0.300 . 1 . . . . 15 TYR CA . 10243 1 90 . 1 1 15 15 TYR CB C 13 37.800 0.300 . 1 . . . . 15 TYR CB . 10243 1 91 . 1 1 15 15 TYR CD1 C 13 133.181 0.300 . 1 . . . . 15 TYR CD1 . 10243 1 92 . 1 1 15 15 TYR CD2 C 13 133.181 0.300 . 1 . . . . 15 TYR CD2 . 10243 1 93 . 1 1 15 15 TYR CE1 C 13 118.417 0.300 . 1 . . . . 15 TYR CE1 . 10243 1 94 . 1 1 15 15 TYR CE2 C 13 118.417 0.300 . 1 . . . . 15 TYR CE2 . 10243 1 95 . 1 1 15 15 TYR N N 15 118.120 0.300 . 1 . . . . 15 TYR N . 10243 1 96 . 1 1 16 16 GLY H H 1 8.420 0.030 . 1 . . . . 16 GLY H . 10243 1 97 . 1 1 16 16 GLY HA2 H 1 4.634 0.030 . 2 . . . . 16 GLY HA2 . 10243 1 98 . 1 1 16 16 GLY HA3 H 1 3.568 0.030 . 2 . . . . 16 GLY HA3 . 10243 1 99 . 1 1 16 16 GLY C C 13 172.667 0.300 . 1 . . . . 16 GLY C . 10243 1 100 . 1 1 16 16 GLY CA C 13 44.599 0.300 . 1 . . . . 16 GLY CA . 10243 1 101 . 1 1 16 16 GLY N N 15 111.924 0.300 . 1 . . . . 16 GLY N . 10243 1 102 . 1 1 17 17 CYS H H 1 9.142 0.030 . 1 . . . . 17 CYS H . 10243 1 103 . 1 1 17 17 CYS HA H 1 4.712 0.030 . 1 . . . . 17 CYS HA . 10243 1 104 . 1 1 17 17 CYS HB2 H 1 3.421 0.030 . 2 . . . . 17 CYS HB2 . 10243 1 105 . 1 1 17 17 CYS HB3 H 1 2.822 0.030 . 2 . . . . 17 CYS HB3 . 10243 1 106 . 1 1 17 17 CYS C C 13 177.696 0.300 . 1 . . . . 17 CYS C . 10243 1 107 . 1 1 17 17 CYS CA C 13 58.694 0.300 . 1 . . . . 17 CYS CA . 10243 1 108 . 1 1 17 17 CYS CB C 13 29.770 0.300 . 1 . . . . 17 CYS CB . 10243 1 109 . 1 1 17 17 CYS N N 15 125.008 0.300 . 1 . . . . 17 CYS N . 10243 1 110 . 1 1 18 18 VAL H H 1 9.089 0.030 . 1 . . . . 18 VAL H . 10243 1 111 . 1 1 18 18 VAL HA H 1 4.003 0.030 . 1 . . . . 18 VAL HA . 10243 1 112 . 1 1 18 18 VAL HB H 1 2.262 0.030 . 1 . . . . 18 VAL HB . 10243 1 113 . 1 1 18 18 VAL HG11 H 1 1.044 0.030 . 1 . . . . 18 VAL HG1 . 10243 1 114 . 1 1 18 18 VAL HG12 H 1 1.044 0.030 . 1 . . . . 18 VAL HG1 . 10243 1 115 . 1 1 18 18 VAL HG13 H 1 1.044 0.030 . 1 . . . . 18 VAL HG1 . 10243 1 116 . 1 1 18 18 VAL HG21 H 1 1.063 0.030 . 1 . . . . 18 VAL HG2 . 10243 1 117 . 1 1 18 18 VAL HG22 H 1 1.063 0.030 . 1 . . . . 18 VAL HG2 . 10243 1 118 . 1 1 18 18 VAL HG23 H 1 1.063 0.030 . 1 . . . . 18 VAL HG2 . 10243 1 119 . 1 1 18 18 VAL C C 13 176.506 0.300 . 1 . . . . 18 VAL C . 10243 1 120 . 1 1 18 18 VAL CA C 13 64.407 0.300 . 1 . . . . 18 VAL CA . 10243 1 121 . 1 1 18 18 VAL CB C 13 31.744 0.300 . 1 . . . . 18 VAL CB . 10243 1 122 . 1 1 18 18 VAL CG1 C 13 21.071 0.300 . 2 . . . . 18 VAL CG1 . 10243 1 123 . 1 1 18 18 VAL CG2 C 13 20.503 0.300 . 2 . . . . 18 VAL CG2 . 10243 1 124 . 1 1 18 18 VAL N N 15 129.598 0.300 . 1 . . . . 18 VAL N . 10243 1 125 . 1 1 19 19 GLU H H 1 8.413 0.030 . 1 . . . . 19 GLU H . 10243 1 126 . 1 1 19 19 GLU HA H 1 4.187 0.030 . 1 . . . . 19 GLU HA . 10243 1 127 . 1 1 19 19 GLU HB2 H 1 1.353 0.030 . 1 . . . . 19 GLU HB2 . 10243 1 128 . 1 1 19 19 GLU HB3 H 1 1.353 0.030 . 1 . . . . 19 GLU HB3 . 10243 1 129 . 1 1 19 19 GLU HG2 H 1 1.927 0.030 . 2 . . . . 19 GLU HG2 . 10243 1 130 . 1 1 19 19 GLU HG3 H 1 1.827 0.030 . 2 . . . . 19 GLU HG3 . 10243 1 131 . 1 1 19 19 GLU C C 13 177.385 0.300 . 1 . . . . 19 GLU C . 10243 1 132 . 1 1 19 19 GLU CA C 13 58.535 0.300 . 1 . . . . 19 GLU CA . 10243 1 133 . 1 1 19 19 GLU CB C 13 29.358 0.300 . 1 . . . . 19 GLU CB . 10243 1 134 . 1 1 19 19 GLU CG C 13 35.604 0.300 . 1 . . . . 19 GLU CG . 10243 1 135 . 1 1 19 19 GLU N N 15 121.264 0.300 . 1 . . . . 19 GLU N . 10243 1 136 . 1 1 20 20 CYS H H 1 7.854 0.030 . 1 . . . . 20 CYS H . 10243 1 137 . 1 1 20 20 CYS HA H 1 5.142 0.030 . 1 . . . . 20 CYS HA . 10243 1 138 . 1 1 20 20 CYS HB2 H 1 3.410 0.030 . 2 . . . . 20 CYS HB2 . 10243 1 139 . 1 1 20 20 CYS HB3 H 1 2.835 0.030 . 2 . . . . 20 CYS HB3 . 10243 1 140 . 1 1 20 20 CYS C C 13 176.237 0.300 . 1 . . . . 20 CYS C . 10243 1 141 . 1 1 20 20 CYS CA C 13 58.341 0.300 . 1 . . . . 20 CYS CA . 10243 1 142 . 1 1 20 20 CYS CB C 13 32.531 0.300 . 1 . . . . 20 CYS CB . 10243 1 143 . 1 1 20 20 CYS N N 15 113.736 0.300 . 1 . . . . 20 CYS N . 10243 1 144 . 1 1 21 21 GLY H H 1 8.281 0.030 . 1 . . . . 21 GLY H . 10243 1 145 . 1 1 21 21 GLY HA2 H 1 4.216 0.030 . 2 . . . . 21 GLY HA2 . 10243 1 146 . 1 1 21 21 GLY HA3 H 1 3.784 0.030 . 2 . . . . 21 GLY HA3 . 10243 1 147 . 1 1 21 21 GLY C C 13 174.288 0.300 . 1 . . . . 21 GLY C . 10243 1 148 . 1 1 21 21 GLY CA C 13 46.159 0.300 . 1 . . . . 21 GLY CA . 10243 1 149 . 1 1 21 21 GLY N N 15 113.574 0.300 . 1 . . . . 21 GLY N . 10243 1 150 . 1 1 22 22 LYS H H 1 7.891 0.030 . 1 . . . . 22 LYS H . 10243 1 151 . 1 1 22 22 LYS HA H 1 3.989 0.030 . 1 . . . . 22 LYS HA . 10243 1 152 . 1 1 22 22 LYS HB2 H 1 1.320 0.030 . 2 . . . . 22 LYS HB2 . 10243 1 153 . 1 1 22 22 LYS HB3 H 1 1.227 0.030 . 2 . . . . 22 LYS HB3 . 10243 1 154 . 1 1 22 22 LYS HD2 H 1 1.537 0.030 . 1 . . . . 22 LYS HD2 . 10243 1 155 . 1 1 22 22 LYS HD3 H 1 1.537 0.030 . 1 . . . . 22 LYS HD3 . 10243 1 156 . 1 1 22 22 LYS HE2 H 1 2.985 0.030 . 2 . . . . 22 LYS HE2 . 10243 1 157 . 1 1 22 22 LYS HE3 H 1 2.919 0.030 . 2 . . . . 22 LYS HE3 . 10243 1 158 . 1 1 22 22 LYS HG2 H 1 1.523 0.030 . 2 . . . . 22 LYS HG2 . 10243 1 159 . 1 1 22 22 LYS HG3 H 1 1.192 0.030 . 2 . . . . 22 LYS HG3 . 10243 1 160 . 1 1 22 22 LYS C C 13 173.452 0.300 . 1 . . . . 22 LYS C . 10243 1 161 . 1 1 22 22 LYS CA C 13 57.789 0.300 . 1 . . . . 22 LYS CA . 10243 1 162 . 1 1 22 22 LYS CB C 13 34.125 0.300 . 1 . . . . 22 LYS CB . 10243 1 163 . 1 1 22 22 LYS CD C 13 29.275 0.300 . 1 . . . . 22 LYS CD . 10243 1 164 . 1 1 22 22 LYS CE C 13 42.231 0.300 . 1 . . . . 22 LYS CE . 10243 1 165 . 1 1 22 22 LYS CG C 13 26.494 0.300 . 1 . . . . 22 LYS CG . 10243 1 166 . 1 1 22 22 LYS N N 15 122.877 0.300 . 1 . . . . 22 LYS N . 10243 1 167 . 1 1 23 23 ALA H H 1 7.645 0.030 . 1 . . . . 23 ALA H . 10243 1 168 . 1 1 23 23 ALA HA H 1 4.925 0.030 . 1 . . . . 23 ALA HA . 10243 1 169 . 1 1 23 23 ALA HB1 H 1 1.124 0.030 . 1 . . . . 23 ALA HB . 10243 1 170 . 1 1 23 23 ALA HB2 H 1 1.124 0.030 . 1 . . . . 23 ALA HB . 10243 1 171 . 1 1 23 23 ALA HB3 H 1 1.124 0.030 . 1 . . . . 23 ALA HB . 10243 1 172 . 1 1 23 23 ALA C C 13 175.868 0.300 . 1 . . . . 23 ALA C . 10243 1 173 . 1 1 23 23 ALA CA C 13 50.523 0.300 . 1 . . . . 23 ALA CA . 10243 1 174 . 1 1 23 23 ALA CB C 13 22.145 0.300 . 1 . . . . 23 ALA CB . 10243 1 175 . 1 1 23 23 ALA N N 15 122.280 0.300 . 1 . . . . 23 ALA N . 10243 1 176 . 1 1 24 24 PHE H H 1 8.337 0.030 . 1 . . . . 24 PHE H . 10243 1 177 . 1 1 24 24 PHE HA H 1 4.890 0.030 . 1 . . . . 24 PHE HA . 10243 1 178 . 1 1 24 24 PHE HB2 H 1 3.313 0.030 . 2 . . . . 24 PHE HB2 . 10243 1 179 . 1 1 24 24 PHE HB3 H 1 2.693 0.030 . 2 . . . . 24 PHE HB3 . 10243 1 180 . 1 1 24 24 PHE HD1 H 1 7.273 0.030 . 1 . . . . 24 PHE HD1 . 10243 1 181 . 1 1 24 24 PHE HD2 H 1 7.273 0.030 . 1 . . . . 24 PHE HD2 . 10243 1 182 . 1 1 24 24 PHE HE1 H 1 6.804 0.030 . 1 . . . . 24 PHE HE1 . 10243 1 183 . 1 1 24 24 PHE HE2 H 1 6.804 0.030 . 1 . . . . 24 PHE HE2 . 10243 1 184 . 1 1 24 24 PHE HZ H 1 6.072 0.030 . 1 . . . . 24 PHE HZ . 10243 1 185 . 1 1 24 24 PHE C C 13 175.994 0.300 . 1 . . . . 24 PHE C . 10243 1 186 . 1 1 24 24 PHE CA C 13 56.926 0.300 . 1 . . . . 24 PHE CA . 10243 1 187 . 1 1 24 24 PHE CB C 13 43.626 0.300 . 1 . . . . 24 PHE CB . 10243 1 188 . 1 1 24 24 PHE CD1 C 13 132.751 0.300 . 1 . . . . 24 PHE CD1 . 10243 1 189 . 1 1 24 24 PHE CD2 C 13 132.751 0.300 . 1 . . . . 24 PHE CD2 . 10243 1 190 . 1 1 24 24 PHE CE1 C 13 130.487 0.300 . 1 . . . . 24 PHE CE1 . 10243 1 191 . 1 1 24 24 PHE CE2 C 13 130.487 0.300 . 1 . . . . 24 PHE CE2 . 10243 1 192 . 1 1 24 24 PHE CZ C 13 128.700 0.300 . 1 . . . . 24 PHE CZ . 10243 1 193 . 1 1 24 24 PHE N N 15 116.352 0.300 . 1 . . . . 24 PHE N . 10243 1 194 . 1 1 25 25 SER H H 1 9.344 0.030 . 1 . . . . 25 SER H . 10243 1 195 . 1 1 25 25 SER HA H 1 4.612 0.030 . 1 . . . . 25 SER HA . 10243 1 196 . 1 1 25 25 SER HB2 H 1 4.128 0.030 . 2 . . . . 25 SER HB2 . 10243 1 197 . 1 1 25 25 SER HB3 H 1 4.050 0.030 . 2 . . . . 25 SER HB3 . 10243 1 198 . 1 1 25 25 SER C C 13 174.148 0.300 . 1 . . . . 25 SER C . 10243 1 199 . 1 1 25 25 SER CA C 13 60.554 0.300 . 1 . . . . 25 SER CA . 10243 1 200 . 1 1 25 25 SER CB C 13 64.329 0.300 . 1 . . . . 25 SER CB . 10243 1 201 . 1 1 25 25 SER N N 15 115.148 0.300 . 1 . . . . 25 SER N . 10243 1 202 . 1 1 26 26 ARG H H 1 7.040 0.030 . 1 . . . . 26 ARG H . 10243 1 203 . 1 1 26 26 ARG HA H 1 4.719 0.030 . 1 . . . . 26 ARG HA . 10243 1 204 . 1 1 26 26 ARG HB2 H 1 2.025 0.030 . 2 . . . . 26 ARG HB2 . 10243 1 205 . 1 1 26 26 ARG HB3 H 1 1.528 0.030 . 2 . . . . 26 ARG HB3 . 10243 1 206 . 1 1 26 26 ARG HD2 H 1 3.272 0.030 . 2 . . . . 26 ARG HD2 . 10243 1 207 . 1 1 26 26 ARG HD3 H 1 3.190 0.030 . 2 . . . . 26 ARG HD3 . 10243 1 208 . 1 1 26 26 ARG HG2 H 1 1.714 0.030 . 1 . . . . 26 ARG HG2 . 10243 1 209 . 1 1 26 26 ARG HG3 H 1 1.714 0.030 . 1 . . . . 26 ARG HG3 . 10243 1 210 . 1 1 26 26 ARG C C 13 176.116 0.300 . 1 . . . . 26 ARG C . 10243 1 211 . 1 1 26 26 ARG CA C 13 54.417 0.300 . 1 . . . . 26 ARG CA . 10243 1 212 . 1 1 26 26 ARG CB C 13 34.587 0.300 . 1 . . . . 26 ARG CB . 10243 1 213 . 1 1 26 26 ARG CD C 13 43.470 0.300 . 1 . . . . 26 ARG CD . 10243 1 214 . 1 1 26 26 ARG CG C 13 27.014 0.300 . 1 . . . . 26 ARG CG . 10243 1 215 . 1 1 26 26 ARG N N 15 115.877 0.300 . 1 . . . . 26 ARG N . 10243 1 216 . 1 1 27 27 SER H H 1 8.441 0.030 . 1 . . . . 27 SER H . 10243 1 217 . 1 1 27 27 SER HA H 1 3.278 0.030 . 1 . . . . 27 SER HA . 10243 1 218 . 1 1 27 27 SER HB2 H 1 3.528 0.030 . 2 . . . . 27 SER HB2 . 10243 1 219 . 1 1 27 27 SER HB3 H 1 3.326 0.030 . 2 . . . . 27 SER HB3 . 10243 1 220 . 1 1 27 27 SER CA C 13 61.160 0.300 . 1 . . . . 27 SER CA . 10243 1 221 . 1 1 27 27 SER CB C 13 61.910 0.300 . 1 . . . . 27 SER CB . 10243 1 222 . 1 1 27 27 SER N N 15 120.683 0.300 . 1 . . . . 27 SER N . 10243 1 223 . 1 1 28 28 SER HA H 1 3.969 0.030 . 1 . . . . 28 SER HA . 10243 1 224 . 1 1 28 28 SER HB2 H 1 3.830 0.030 . 1 . . . . 28 SER HB2 . 10243 1 225 . 1 1 28 28 SER HB3 H 1 3.830 0.030 . 1 . . . . 28 SER HB3 . 10243 1 226 . 1 1 28 28 SER C C 13 176.640 0.300 . 1 . . . . 28 SER C . 10243 1 227 . 1 1 28 28 SER CA C 13 61.029 0.300 . 1 . . . . 28 SER CA . 10243 1 228 . 1 1 28 28 SER CB C 13 61.506 0.300 . 1 . . . . 28 SER CB . 10243 1 229 . 1 1 29 29 ILE H H 1 6.628 0.030 . 1 . . . . 29 ILE H . 10243 1 230 . 1 1 29 29 ILE HA H 1 3.725 0.030 . 1 . . . . 29 ILE HA . 10243 1 231 . 1 1 29 29 ILE HB H 1 1.818 0.030 . 1 . . . . 29 ILE HB . 10243 1 232 . 1 1 29 29 ILE HD11 H 1 0.933 0.030 . 1 . . . . 29 ILE HD1 . 10243 1 233 . 1 1 29 29 ILE HD12 H 1 0.933 0.030 . 1 . . . . 29 ILE HD1 . 10243 1 234 . 1 1 29 29 ILE HD13 H 1 0.933 0.030 . 1 . . . . 29 ILE HD1 . 10243 1 235 . 1 1 29 29 ILE HG12 H 1 1.557 0.030 . 2 . . . . 29 ILE HG12 . 10243 1 236 . 1 1 29 29 ILE HG13 H 1 1.114 0.030 . 2 . . . . 29 ILE HG13 . 10243 1 237 . 1 1 29 29 ILE HG21 H 1 0.908 0.030 . 1 . . . . 29 ILE HG2 . 10243 1 238 . 1 1 29 29 ILE HG22 H 1 0.908 0.030 . 1 . . . . 29 ILE HG2 . 10243 1 239 . 1 1 29 29 ILE HG23 H 1 0.908 0.030 . 1 . . . . 29 ILE HG2 . 10243 1 240 . 1 1 29 29 ILE C C 13 178.108 0.300 . 1 . . . . 29 ILE C . 10243 1 241 . 1 1 29 29 ILE CA C 13 63.470 0.300 . 1 . . . . 29 ILE CA . 10243 1 242 . 1 1 29 29 ILE CB C 13 38.013 0.300 . 1 . . . . 29 ILE CB . 10243 1 243 . 1 1 29 29 ILE CD1 C 13 12.510 0.300 . 1 . . . . 29 ILE CD1 . 10243 1 244 . 1 1 29 29 ILE CG1 C 13 28.326 0.300 . 1 . . . . 29 ILE CG1 . 10243 1 245 . 1 1 29 29 ILE CG2 C 13 18.669 0.300 . 1 . . . . 29 ILE CG2 . 10243 1 246 . 1 1 29 29 ILE N N 15 122.549 0.300 . 1 . . . . 29 ILE N . 10243 1 247 . 1 1 30 30 LEU H H 1 7.003 0.030 . 1 . . . . 30 LEU H . 10243 1 248 . 1 1 30 30 LEU HA H 1 3.511 0.030 . 1 . . . . 30 LEU HA . 10243 1 249 . 1 1 30 30 LEU HB2 H 1 2.123 0.030 . 2 . . . . 30 LEU HB2 . 10243 1 250 . 1 1 30 30 LEU HB3 H 1 1.415 0.030 . 2 . . . . 30 LEU HB3 . 10243 1 251 . 1 1 30 30 LEU HD11 H 1 1.034 0.030 . 1 . . . . 30 LEU HD1 . 10243 1 252 . 1 1 30 30 LEU HD12 H 1 1.034 0.030 . 1 . . . . 30 LEU HD1 . 10243 1 253 . 1 1 30 30 LEU HD13 H 1 1.034 0.030 . 1 . . . . 30 LEU HD1 . 10243 1 254 . 1 1 30 30 LEU HD21 H 1 1.069 0.030 . 1 . . . . 30 LEU HD2 . 10243 1 255 . 1 1 30 30 LEU HD22 H 1 1.069 0.030 . 1 . . . . 30 LEU HD2 . 10243 1 256 . 1 1 30 30 LEU HD23 H 1 1.069 0.030 . 1 . . . . 30 LEU HD2 . 10243 1 257 . 1 1 30 30 LEU HG H 1 1.552 0.030 . 1 . . . . 30 LEU HG . 10243 1 258 . 1 1 30 30 LEU C C 13 177.880 0.300 . 1 . . . . 30 LEU C . 10243 1 259 . 1 1 30 30 LEU CA C 13 58.394 0.300 . 1 . . . . 30 LEU CA . 10243 1 260 . 1 1 30 30 LEU CB C 13 40.239 0.300 . 1 . . . . 30 LEU CB . 10243 1 261 . 1 1 30 30 LEU CD1 C 13 26.347 0.300 . 2 . . . . 30 LEU CD1 . 10243 1 262 . 1 1 30 30 LEU CD2 C 13 22.892 0.300 . 2 . . . . 30 LEU CD2 . 10243 1 263 . 1 1 30 30 LEU CG C 13 27.725 0.300 . 1 . . . . 30 LEU CG . 10243 1 264 . 1 1 30 30 LEU N N 15 122.518 0.300 . 1 . . . . 30 LEU N . 10243 1 265 . 1 1 31 31 VAL H H 1 8.203 0.030 . 1 . . . . 31 VAL H . 10243 1 266 . 1 1 31 31 VAL HA H 1 3.709 0.030 . 1 . . . . 31 VAL HA . 10243 1 267 . 1 1 31 31 VAL HB H 1 1.974 0.030 . 1 . . . . 31 VAL HB . 10243 1 268 . 1 1 31 31 VAL HG11 H 1 0.983 0.030 . 1 . . . . 31 VAL HG1 . 10243 1 269 . 1 1 31 31 VAL HG12 H 1 0.983 0.030 . 1 . . . . 31 VAL HG1 . 10243 1 270 . 1 1 31 31 VAL HG13 H 1 0.983 0.030 . 1 . . . . 31 VAL HG1 . 10243 1 271 . 1 1 31 31 VAL HG21 H 1 0.877 0.030 . 1 . . . . 31 VAL HG2 . 10243 1 272 . 1 1 31 31 VAL HG22 H 1 0.877 0.030 . 1 . . . . 31 VAL HG2 . 10243 1 273 . 1 1 31 31 VAL HG23 H 1 0.877 0.030 . 1 . . . . 31 VAL HG2 . 10243 1 274 . 1 1 31 31 VAL C C 13 179.070 0.300 . 1 . . . . 31 VAL C . 10243 1 275 . 1 1 31 31 VAL CA C 13 66.618 0.300 . 1 . . . . 31 VAL CA . 10243 1 276 . 1 1 31 31 VAL CB C 13 31.624 0.300 . 1 . . . . 31 VAL CB . 10243 1 277 . 1 1 31 31 VAL CG1 C 13 22.681 0.300 . 2 . . . . 31 VAL CG1 . 10243 1 278 . 1 1 31 31 VAL CG2 C 13 21.054 0.300 . 2 . . . . 31 VAL CG2 . 10243 1 279 . 1 1 31 31 VAL N N 15 118.600 0.300 . 1 . . . . 31 VAL N . 10243 1 280 . 1 1 32 32 GLN H H 1 7.323 0.030 . 1 . . . . 32 GLN H . 10243 1 281 . 1 1 32 32 GLN HA H 1 3.927 0.030 . 1 . . . . 32 GLN HA . 10243 1 282 . 1 1 32 32 GLN HB2 H 1 2.060 0.030 . 1 . . . . 32 GLN HB2 . 10243 1 283 . 1 1 32 32 GLN HB3 H 1 2.060 0.030 . 1 . . . . 32 GLN HB3 . 10243 1 284 . 1 1 32 32 GLN HE21 H 1 7.410 0.030 . 2 . . . . 32 GLN HE21 . 10243 1 285 . 1 1 32 32 GLN HE22 H 1 6.817 0.030 . 2 . . . . 32 GLN HE22 . 10243 1 286 . 1 1 32 32 GLN HG2 H 1 2.438 0.030 . 2 . . . . 32 GLN HG2 . 10243 1 287 . 1 1 32 32 GLN HG3 H 1 2.345 0.030 . 2 . . . . 32 GLN HG3 . 10243 1 288 . 1 1 32 32 GLN C C 13 178.751 0.300 . 1 . . . . 32 GLN C . 10243 1 289 . 1 1 32 32 GLN CA C 13 58.772 0.300 . 1 . . . . 32 GLN CA . 10243 1 290 . 1 1 32 32 GLN CB C 13 28.368 0.300 . 1 . . . . 32 GLN CB . 10243 1 291 . 1 1 32 32 GLN CG C 13 33.726 0.300 . 1 . . . . 32 GLN CG . 10243 1 292 . 1 1 32 32 GLN N N 15 118.113 0.300 . 1 . . . . 32 GLN N . 10243 1 293 . 1 1 32 32 GLN NE2 N 15 112.020 0.300 . 1 . . . . 32 GLN NE2 . 10243 1 294 . 1 1 33 33 HIS H H 1 8.046 0.030 . 1 . . . . 33 HIS H . 10243 1 295 . 1 1 33 33 HIS HA H 1 4.148 0.030 . 1 . . . . 33 HIS HA . 10243 1 296 . 1 1 33 33 HIS HB2 H 1 3.213 0.030 . 2 . . . . 33 HIS HB2 . 10243 1 297 . 1 1 33 33 HIS HB3 H 1 2.690 0.030 . 2 . . . . 33 HIS HB3 . 10243 1 298 . 1 1 33 33 HIS HD2 H 1 6.912 0.030 . 1 . . . . 33 HIS HD2 . 10243 1 299 . 1 1 33 33 HIS HE1 H 1 8.013 0.030 . 1 . . . . 33 HIS HE1 . 10243 1 300 . 1 1 33 33 HIS C C 13 176.164 0.300 . 1 . . . . 33 HIS C . 10243 1 301 . 1 1 33 33 HIS CA C 13 59.033 0.300 . 1 . . . . 33 HIS CA . 10243 1 302 . 1 1 33 33 HIS CB C 13 27.726 0.300 . 1 . . . . 33 HIS CB . 10243 1 303 . 1 1 33 33 HIS CD2 C 13 127.173 0.300 . 1 . . . . 33 HIS CD2 . 10243 1 304 . 1 1 33 33 HIS CE1 C 13 139.611 0.300 . 1 . . . . 33 HIS CE1 . 10243 1 305 . 1 1 33 33 HIS N N 15 120.097 0.300 . 1 . . . . 33 HIS N . 10243 1 306 . 1 1 34 34 GLN H H 1 8.348 0.030 . 1 . . . . 34 GLN H . 10243 1 307 . 1 1 34 34 GLN HA H 1 3.630 0.030 . 1 . . . . 34 GLN HA . 10243 1 308 . 1 1 34 34 GLN HB2 H 1 2.322 0.030 . 2 . . . . 34 GLN HB2 . 10243 1 309 . 1 1 34 34 GLN HB3 H 1 2.196 0.030 . 2 . . . . 34 GLN HB3 . 10243 1 310 . 1 1 34 34 GLN HE21 H 1 7.611 0.030 . 2 . . . . 34 GLN HE21 . 10243 1 311 . 1 1 34 34 GLN HE22 H 1 7.016 0.030 . 2 . . . . 34 GLN HE22 . 10243 1 312 . 1 1 34 34 GLN HG2 H 1 2.866 0.030 . 2 . . . . 34 GLN HG2 . 10243 1 313 . 1 1 34 34 GLN HG3 H 1 2.824 0.030 . 2 . . . . 34 GLN HG3 . 10243 1 314 . 1 1 34 34 GLN C C 13 177.457 0.300 . 1 . . . . 34 GLN C . 10243 1 315 . 1 1 34 34 GLN CA C 13 59.367 0.300 . 1 . . . . 34 GLN CA . 10243 1 316 . 1 1 34 34 GLN CB C 13 28.158 0.300 . 1 . . . . 34 GLN CB . 10243 1 317 . 1 1 34 34 GLN CG C 13 35.458 0.300 . 1 . . . . 34 GLN CG . 10243 1 318 . 1 1 34 34 GLN N N 15 115.621 0.300 . 1 . . . . 34 GLN N . 10243 1 319 . 1 1 34 34 GLN NE2 N 15 112.146 0.300 . 1 . . . . 34 GLN NE2 . 10243 1 320 . 1 1 35 35 ARG H H 1 7.167 0.030 . 1 . . . . 35 ARG H . 10243 1 321 . 1 1 35 35 ARG HA H 1 4.094 0.030 . 1 . . . . 35 ARG HA . 10243 1 322 . 1 1 35 35 ARG HB2 H 1 1.869 0.030 . 2 . . . . 35 ARG HB2 . 10243 1 323 . 1 1 35 35 ARG HB3 H 1 1.782 0.030 . 2 . . . . 35 ARG HB3 . 10243 1 324 . 1 1 35 35 ARG HD2 H 1 3.183 0.030 . 1 . . . . 35 ARG HD2 . 10243 1 325 . 1 1 35 35 ARG HD3 H 1 3.183 0.030 . 1 . . . . 35 ARG HD3 . 10243 1 326 . 1 1 35 35 ARG HG2 H 1 1.816 0.030 . 2 . . . . 35 ARG HG2 . 10243 1 327 . 1 1 35 35 ARG HG3 H 1 1.658 0.030 . 2 . . . . 35 ARG HG3 . 10243 1 328 . 1 1 35 35 ARG C C 13 178.544 0.300 . 1 . . . . 35 ARG C . 10243 1 329 . 1 1 35 35 ARG CA C 13 58.553 0.300 . 1 . . . . 35 ARG CA . 10243 1 330 . 1 1 35 35 ARG CB C 13 30.016 0.300 . 1 . . . . 35 ARG CB . 10243 1 331 . 1 1 35 35 ARG CD C 13 43.453 0.300 . 1 . . . . 35 ARG CD . 10243 1 332 . 1 1 35 35 ARG CG C 13 27.544 0.300 . 1 . . . . 35 ARG CG . 10243 1 333 . 1 1 35 35 ARG N N 15 117.694 0.300 . 1 . . . . 35 ARG N . 10243 1 334 . 1 1 36 36 VAL H H 1 7.878 0.030 . 1 . . . . 36 VAL H . 10243 1 335 . 1 1 36 36 VAL HA H 1 3.885 0.030 . 1 . . . . 36 VAL HA . 10243 1 336 . 1 1 36 36 VAL HB H 1 1.909 0.030 . 1 . . . . 36 VAL HB . 10243 1 337 . 1 1 36 36 VAL HG11 H 1 0.614 0.030 . 1 . . . . 36 VAL HG1 . 10243 1 338 . 1 1 36 36 VAL HG12 H 1 0.614 0.030 . 1 . . . . 36 VAL HG1 . 10243 1 339 . 1 1 36 36 VAL HG13 H 1 0.614 0.030 . 1 . . . . 36 VAL HG1 . 10243 1 340 . 1 1 36 36 VAL HG21 H 1 0.489 0.030 . 1 . . . . 36 VAL HG2 . 10243 1 341 . 1 1 36 36 VAL HG22 H 1 0.489 0.030 . 1 . . . . 36 VAL HG2 . 10243 1 342 . 1 1 36 36 VAL HG23 H 1 0.489 0.030 . 1 . . . . 36 VAL HG2 . 10243 1 343 . 1 1 36 36 VAL C C 13 177.246 0.300 . 1 . . . . 36 VAL C . 10243 1 344 . 1 1 36 36 VAL CA C 13 63.924 0.300 . 1 . . . . 36 VAL CA . 10243 1 345 . 1 1 36 36 VAL CB C 13 31.137 0.300 . 1 . . . . 36 VAL CB . 10243 1 346 . 1 1 36 36 VAL CG1 C 13 19.813 0.300 . 2 . . . . 36 VAL CG1 . 10243 1 347 . 1 1 36 36 VAL CG2 C 13 19.586 0.300 . 2 . . . . 36 VAL CG2 . 10243 1 348 . 1 1 36 36 VAL N N 15 116.056 0.300 . 1 . . . . 36 VAL N . 10243 1 349 . 1 1 37 37 HIS H H 1 7.151 0.030 . 1 . . . . 37 HIS H . 10243 1 350 . 1 1 37 37 HIS HA H 1 4.877 0.030 . 1 . . . . 37 HIS HA . 10243 1 351 . 1 1 37 37 HIS HB2 H 1 3.316 0.030 . 2 . . . . 37 HIS HB2 . 10243 1 352 . 1 1 37 37 HIS HB3 H 1 3.197 0.030 . 2 . . . . 37 HIS HB3 . 10243 1 353 . 1 1 37 37 HIS HD2 H 1 6.692 0.030 . 1 . . . . 37 HIS HD2 . 10243 1 354 . 1 1 37 37 HIS HE1 H 1 8.023 0.030 . 1 . . . . 37 HIS HE1 . 10243 1 355 . 1 1 37 37 HIS C C 13 175.769 0.300 . 1 . . . . 37 HIS C . 10243 1 356 . 1 1 37 37 HIS CA C 13 55.034 0.300 . 1 . . . . 37 HIS CA . 10243 1 357 . 1 1 37 37 HIS CB C 13 28.415 0.300 . 1 . . . . 37 HIS CB . 10243 1 358 . 1 1 37 37 HIS CD2 C 13 127.533 0.300 . 1 . . . . 37 HIS CD2 . 10243 1 359 . 1 1 37 37 HIS CE1 C 13 139.907 0.300 . 1 . . . . 37 HIS CE1 . 10243 1 360 . 1 1 37 37 HIS N N 15 117.486 0.300 . 1 . . . . 37 HIS N . 10243 1 361 . 1 1 38 38 THR H H 1 7.769 0.030 . 1 . . . . 38 THR H . 10243 1 362 . 1 1 38 38 THR HA H 1 4.288 0.030 . 1 . . . . 38 THR HA . 10243 1 363 . 1 1 38 38 THR HB H 1 4.274 0.030 . 1 . . . . 38 THR HB . 10243 1 364 . 1 1 38 38 THR HG21 H 1 1.211 0.030 . 1 . . . . 38 THR HG2 . 10243 1 365 . 1 1 38 38 THR HG22 H 1 1.211 0.030 . 1 . . . . 38 THR HG2 . 10243 1 366 . 1 1 38 38 THR HG23 H 1 1.211 0.030 . 1 . . . . 38 THR HG2 . 10243 1 367 . 1 1 38 38 THR C C 13 175.391 0.300 . 1 . . . . 38 THR C . 10243 1 368 . 1 1 38 38 THR CA C 13 62.697 0.300 . 1 . . . . 38 THR CA . 10243 1 369 . 1 1 38 38 THR CB C 13 69.738 0.300 . 1 . . . . 38 THR CB . 10243 1 370 . 1 1 38 38 THR CG2 C 13 21.580 0.300 . 1 . . . . 38 THR CG2 . 10243 1 371 . 1 1 38 38 THR N N 15 112.779 0.300 . 1 . . . . 38 THR N . 10243 1 372 . 1 1 39 39 GLY H H 1 8.251 0.030 . 1 . . . . 39 GLY H . 10243 1 373 . 1 1 39 39 GLY HA2 H 1 3.994 0.030 . 2 . . . . 39 GLY HA2 . 10243 1 374 . 1 1 39 39 GLY HA3 H 1 3.920 0.030 . 2 . . . . 39 GLY HA3 . 10243 1 375 . 1 1 39 39 GLY C C 13 174.076 0.300 . 1 . . . . 39 GLY C . 10243 1 376 . 1 1 39 39 GLY CA C 13 45.288 0.300 . 1 . . . . 39 GLY CA . 10243 1 377 . 1 1 39 39 GLY N N 15 110.331 0.300 . 1 . . . . 39 GLY N . 10243 1 378 . 1 1 40 40 GLU H H 1 8.076 0.030 . 1 . . . . 40 GLU H . 10243 1 379 . 1 1 40 40 GLU HA H 1 4.139 0.030 . 1 . . . . 40 GLU HA . 10243 1 380 . 1 1 40 40 GLU HB2 H 1 1.946 0.030 . 1 . . . . 40 GLU HB2 . 10243 1 381 . 1 1 40 40 GLU HB3 H 1 1.946 0.030 . 1 . . . . 40 GLU HB3 . 10243 1 382 . 1 1 40 40 GLU HG2 H 1 2.268 0.030 . 2 . . . . 40 GLU HG2 . 10243 1 383 . 1 1 40 40 GLU HG3 H 1 2.193 0.030 . 2 . . . . 40 GLU HG3 . 10243 1 384 . 1 1 40 40 GLU C C 13 176.602 0.300 . 1 . . . . 40 GLU C . 10243 1 385 . 1 1 40 40 GLU CA C 13 56.915 0.300 . 1 . . . . 40 GLU CA . 10243 1 386 . 1 1 40 40 GLU CB C 13 30.414 0.300 . 1 . . . . 40 GLU CB . 10243 1 387 . 1 1 40 40 GLU CG C 13 36.274 0.300 . 1 . . . . 40 GLU CG . 10243 1 388 . 1 1 40 40 GLU N N 15 120.155 0.300 . 1 . . . . 40 GLU N . 10243 1 389 . 1 1 41 41 LYS H H 1 8.274 0.030 . 1 . . . . 41 LYS H . 10243 1 390 . 1 1 41 41 LYS HA H 1 4.496 0.030 . 1 . . . . 41 LYS HA . 10243 1 391 . 1 1 41 41 LYS HB2 H 1 1.539 0.030 . 2 . . . . 41 LYS HB2 . 10243 1 392 . 1 1 41 41 LYS HB3 H 1 1.302 0.030 . 2 . . . . 41 LYS HB3 . 10243 1 393 . 1 1 41 41 LYS HD2 H 1 1.465 0.030 . 2 . . . . 41 LYS HD2 . 10243 1 394 . 1 1 41 41 LYS HD3 H 1 1.406 0.030 . 2 . . . . 41 LYS HD3 . 10243 1 395 . 1 1 41 41 LYS HE2 H 1 2.901 0.030 . 1 . . . . 41 LYS HE2 . 10243 1 396 . 1 1 41 41 LYS HE3 H 1 2.901 0.030 . 1 . . . . 41 LYS HE3 . 10243 1 397 . 1 1 41 41 LYS HG2 H 1 1.295 0.030 . 2 . . . . 41 LYS HG2 . 10243 1 398 . 1 1 41 41 LYS HG3 H 1 1.105 0.030 . 2 . . . . 41 LYS HG3 . 10243 1 399 . 1 1 41 41 LYS C C 13 173.906 0.300 . 1 . . . . 41 LYS C . 10243 1 400 . 1 1 41 41 LYS CA C 13 53.865 0.300 . 1 . . . . 41 LYS CA . 10243 1 401 . 1 1 41 41 LYS CB C 13 33.372 0.300 . 1 . . . . 41 LYS CB . 10243 1 402 . 1 1 41 41 LYS CD C 13 29.591 0.300 . 1 . . . . 41 LYS CD . 10243 1 403 . 1 1 41 41 LYS CE C 13 42.317 0.300 . 1 . . . . 41 LYS CE . 10243 1 404 . 1 1 41 41 LYS CG C 13 24.878 0.300 . 1 . . . . 41 LYS CG . 10243 1 405 . 1 1 41 41 LYS N N 15 121.689 0.300 . 1 . . . . 41 LYS N . 10243 1 406 . 1 1 42 42 PRO HA H 1 4.253 0.030 . 1 . . . . 42 PRO HA . 10243 1 407 . 1 1 42 42 PRO HB2 H 1 2.010 0.030 . 2 . . . . 42 PRO HB2 . 10243 1 408 . 1 1 42 42 PRO HB3 H 1 1.184 0.030 . 2 . . . . 42 PRO HB3 . 10243 1 409 . 1 1 42 42 PRO HD2 H 1 3.694 0.030 . 2 . . . . 42 PRO HD2 . 10243 1 410 . 1 1 42 42 PRO HD3 H 1 3.637 0.030 . 2 . . . . 42 PRO HD3 . 10243 1 411 . 1 1 42 42 PRO HG2 H 1 1.779 0.030 . 2 . . . . 42 PRO HG2 . 10243 1 412 . 1 1 42 42 PRO HG3 H 1 1.568 0.030 . 2 . . . . 42 PRO HG3 . 10243 1 413 . 1 1 42 42 PRO C C 13 176.660 0.300 . 1 . . . . 42 PRO C . 10243 1 414 . 1 1 42 42 PRO CA C 13 63.718 0.300 . 1 . . . . 42 PRO CA . 10243 1 415 . 1 1 42 42 PRO CB C 13 32.320 0.300 . 1 . . . . 42 PRO CB . 10243 1 416 . 1 1 42 42 PRO CD C 13 50.317 0.300 . 1 . . . . 42 PRO CD . 10243 1 417 . 1 1 42 42 PRO CG C 13 26.555 0.300 . 1 . . . . 42 PRO CG . 10243 1 418 . 1 1 43 43 TYR H H 1 7.693 0.030 . 1 . . . . 43 TYR H . 10243 1 419 . 1 1 43 43 TYR HA H 1 4.600 0.030 . 1 . . . . 43 TYR HA . 10243 1 420 . 1 1 43 43 TYR HB2 H 1 2.944 0.030 . 2 . . . . 43 TYR HB2 . 10243 1 421 . 1 1 43 43 TYR HB3 H 1 2.897 0.030 . 2 . . . . 43 TYR HB3 . 10243 1 422 . 1 1 43 43 TYR HD1 H 1 7.008 0.030 . 1 . . . . 43 TYR HD1 . 10243 1 423 . 1 1 43 43 TYR HD2 H 1 7.008 0.030 . 1 . . . . 43 TYR HD2 . 10243 1 424 . 1 1 43 43 TYR HE1 H 1 6.870 0.030 . 1 . . . . 43 TYR HE1 . 10243 1 425 . 1 1 43 43 TYR HE2 H 1 6.870 0.030 . 1 . . . . 43 TYR HE2 . 10243 1 426 . 1 1 43 43 TYR C C 13 174.460 0.300 . 1 . . . . 43 TYR C . 10243 1 427 . 1 1 43 43 TYR CA C 13 57.722 0.300 . 1 . . . . 43 TYR CA . 10243 1 428 . 1 1 43 43 TYR CB C 13 37.840 0.300 . 1 . . . . 43 TYR CB . 10243 1 429 . 1 1 43 43 TYR CD1 C 13 133.472 0.300 . 1 . . . . 43 TYR CD1 . 10243 1 430 . 1 1 43 43 TYR CD2 C 13 133.472 0.300 . 1 . . . . 43 TYR CD2 . 10243 1 431 . 1 1 43 43 TYR CE1 C 13 118.266 0.300 . 1 . . . . 43 TYR CE1 . 10243 1 432 . 1 1 43 43 TYR CE2 C 13 118.266 0.300 . 1 . . . . 43 TYR CE2 . 10243 1 433 . 1 1 43 43 TYR N N 15 118.327 0.300 . 1 . . . . 43 TYR N . 10243 1 434 . 1 1 44 44 LYS H H 1 8.335 0.030 . 1 . . . . 44 LYS H . 10243 1 435 . 1 1 44 44 LYS HA H 1 4.826 0.030 . 1 . . . . 44 LYS HA . 10243 1 436 . 1 1 44 44 LYS HB2 H 1 1.664 0.030 . 2 . . . . 44 LYS HB2 . 10243 1 437 . 1 1 44 44 LYS HB3 H 1 1.602 0.030 . 2 . . . . 44 LYS HB3 . 10243 1 438 . 1 1 44 44 LYS HD2 H 1 1.575 0.030 . 1 . . . . 44 LYS HD2 . 10243 1 439 . 1 1 44 44 LYS HD3 H 1 1.575 0.030 . 1 . . . . 44 LYS HD3 . 10243 1 440 . 1 1 44 44 LYS HE2 H 1 2.913 0.030 . 1 . . . . 44 LYS HE2 . 10243 1 441 . 1 1 44 44 LYS HE3 H 1 2.913 0.030 . 1 . . . . 44 LYS HE3 . 10243 1 442 . 1 1 44 44 LYS HG2 H 1 1.178 0.030 . 1 . . . . 44 LYS HG2 . 10243 1 443 . 1 1 44 44 LYS HG3 H 1 1.178 0.030 . 1 . . . . 44 LYS HG3 . 10243 1 444 . 1 1 44 44 LYS C C 13 174.679 0.300 . 1 . . . . 44 LYS C . 10243 1 445 . 1 1 44 44 LYS CA C 13 55.423 0.300 . 1 . . . . 44 LYS CA . 10243 1 446 . 1 1 44 44 LYS CB C 13 35.380 0.300 . 1 . . . . 44 LYS CB . 10243 1 447 . 1 1 44 44 LYS CD C 13 29.361 0.300 . 1 . . . . 44 LYS CD . 10243 1 448 . 1 1 44 44 LYS CE C 13 42.052 0.300 . 1 . . . . 44 LYS CE . 10243 1 449 . 1 1 44 44 LYS CG C 13 24.989 0.300 . 1 . . . . 44 LYS CG . 10243 1 450 . 1 1 44 44 LYS N N 15 125.187 0.300 . 1 . . . . 44 LYS N . 10243 1 451 . 1 1 45 45 CYS H H 1 9.250 0.030 . 1 . . . . 45 CYS H . 10243 1 452 . 1 1 45 45 CYS HA H 1 4.536 0.030 . 1 . . . . 45 CYS HA . 10243 1 453 . 1 1 45 45 CYS HB2 H 1 3.416 0.030 . 2 . . . . 45 CYS HB2 . 10243 1 454 . 1 1 45 45 CYS HB3 H 1 2.830 0.030 . 2 . . . . 45 CYS HB3 . 10243 1 455 . 1 1 45 45 CYS C C 13 177.400 0.300 . 1 . . . . 45 CYS C . 10243 1 456 . 1 1 45 45 CYS CA C 13 59.384 0.300 . 1 . . . . 45 CYS CA . 10243 1 457 . 1 1 45 45 CYS CB C 13 29.482 0.300 . 1 . . . . 45 CYS CB . 10243 1 458 . 1 1 45 45 CYS N N 15 126.431 0.300 . 1 . . . . 45 CYS N . 10243 1 459 . 1 1 46 46 LEU H H 1 9.297 0.030 . 1 . . . . 46 LEU H . 10243 1 460 . 1 1 46 46 LEU HA H 1 4.192 0.030 . 1 . . . . 46 LEU HA . 10243 1 461 . 1 1 46 46 LEU HB2 H 1 1.830 0.030 . 2 . . . . 46 LEU HB2 . 10243 1 462 . 1 1 46 46 LEU HB3 H 1 1.622 0.030 . 2 . . . . 46 LEU HB3 . 10243 1 463 . 1 1 46 46 LEU HD11 H 1 0.977 0.030 . 1 . . . . 46 LEU HD1 . 10243 1 464 . 1 1 46 46 LEU HD12 H 1 0.977 0.030 . 1 . . . . 46 LEU HD1 . 10243 1 465 . 1 1 46 46 LEU HD13 H 1 0.977 0.030 . 1 . . . . 46 LEU HD1 . 10243 1 466 . 1 1 46 46 LEU HD21 H 1 0.871 0.030 . 1 . . . . 46 LEU HD2 . 10243 1 467 . 1 1 46 46 LEU HD22 H 1 0.871 0.030 . 1 . . . . 46 LEU HD2 . 10243 1 468 . 1 1 46 46 LEU HD23 H 1 0.871 0.030 . 1 . . . . 46 LEU HD2 . 10243 1 469 . 1 1 46 46 LEU HG H 1 1.828 0.030 . 1 . . . . 46 LEU HG . 10243 1 470 . 1 1 46 46 LEU C C 13 177.806 0.300 . 1 . . . . 46 LEU C . 10243 1 471 . 1 1 46 46 LEU CA C 13 56.944 0.300 . 1 . . . . 46 LEU CA . 10243 1 472 . 1 1 46 46 LEU CB C 13 41.269 0.300 . 1 . . . . 46 LEU CB . 10243 1 473 . 1 1 46 46 LEU CD1 C 13 25.001 0.300 . 2 . . . . 46 LEU CD1 . 10243 1 474 . 1 1 46 46 LEU CD2 C 13 22.799 0.300 . 2 . . . . 46 LEU CD2 . 10243 1 475 . 1 1 46 46 LEU CG C 13 27.239 0.300 . 1 . . . . 46 LEU CG . 10243 1 476 . 1 1 46 46 LEU N N 15 132.501 0.300 . 1 . . . . 46 LEU N . 10243 1 477 . 1 1 47 47 GLU H H 1 8.568 0.030 . 1 . . . . 47 GLU H . 10243 1 478 . 1 1 47 47 GLU HA H 1 4.161 0.030 . 1 . . . . 47 GLU HA . 10243 1 479 . 1 1 47 47 GLU HB2 H 1 1.424 0.030 . 2 . . . . 47 GLU HB2 . 10243 1 480 . 1 1 47 47 GLU HB3 H 1 1.350 0.030 . 2 . . . . 47 GLU HB3 . 10243 1 481 . 1 1 47 47 GLU HG2 H 1 1.878 0.030 . 2 . . . . 47 GLU HG2 . 10243 1 482 . 1 1 47 47 GLU HG3 H 1 1.724 0.030 . 2 . . . . 47 GLU HG3 . 10243 1 483 . 1 1 47 47 GLU C C 13 177.358 0.300 . 1 . . . . 47 GLU C . 10243 1 484 . 1 1 47 47 GLU CA C 13 58.545 0.300 . 1 . . . . 47 GLU CA . 10243 1 485 . 1 1 47 47 GLU CB C 13 29.500 0.300 . 1 . . . . 47 GLU CB . 10243 1 486 . 1 1 47 47 GLU CG C 13 35.540 0.300 . 1 . . . . 47 GLU CG . 10243 1 487 . 1 1 47 47 GLU N N 15 120.165 0.300 . 1 . . . . 47 GLU N . 10243 1 488 . 1 1 48 48 CYS H H 1 7.979 0.030 . 1 . . . . 48 CYS H . 10243 1 489 . 1 1 48 48 CYS HA H 1 5.182 0.030 . 1 . . . . 48 CYS HA . 10243 1 490 . 1 1 48 48 CYS HB2 H 1 3.428 0.030 . 2 . . . . 48 CYS HB2 . 10243 1 491 . 1 1 48 48 CYS HB3 H 1 2.846 0.030 . 2 . . . . 48 CYS HB3 . 10243 1 492 . 1 1 48 48 CYS C C 13 176.224 0.300 . 1 . . . . 48 CYS C . 10243 1 493 . 1 1 48 48 CYS CA C 13 58.210 0.300 . 1 . . . . 48 CYS CA . 10243 1 494 . 1 1 48 48 CYS CB C 13 32.531 0.300 . 1 . . . . 48 CYS CB . 10243 1 495 . 1 1 48 48 CYS N N 15 114.531 0.300 . 1 . . . . 48 CYS N . 10243 1 496 . 1 1 49 49 GLY H H 1 8.156 0.030 . 1 . . . . 49 GLY H . 10243 1 497 . 1 1 49 49 GLY HA2 H 1 4.273 0.030 . 2 . . . . 49 GLY HA2 . 10243 1 498 . 1 1 49 49 GLY HA3 H 1 3.771 0.030 . 2 . . . . 49 GLY HA3 . 10243 1 499 . 1 1 49 49 GLY C C 13 173.907 0.300 . 1 . . . . 49 GLY C . 10243 1 500 . 1 1 49 49 GLY CA C 13 46.207 0.300 . 1 . . . . 49 GLY CA . 10243 1 501 . 1 1 49 49 GLY N N 15 113.613 0.300 . 1 . . . . 49 GLY N . 10243 1 502 . 1 1 50 50 LYS H H 1 7.961 0.030 . 1 . . . . 50 LYS H . 10243 1 503 . 1 1 50 50 LYS HA H 1 3.936 0.030 . 1 . . . . 50 LYS HA . 10243 1 504 . 1 1 50 50 LYS HB2 H 1 1.362 0.030 . 2 . . . . 50 LYS HB2 . 10243 1 505 . 1 1 50 50 LYS HB3 H 1 1.223 0.030 . 2 . . . . 50 LYS HB3 . 10243 1 506 . 1 1 50 50 LYS HD2 H 1 1.486 0.030 . 1 . . . . 50 LYS HD2 . 10243 1 507 . 1 1 50 50 LYS HD3 H 1 1.486 0.030 . 1 . . . . 50 LYS HD3 . 10243 1 508 . 1 1 50 50 LYS HE2 H 1 2.964 0.030 . 1 . . . . 50 LYS HE2 . 10243 1 509 . 1 1 50 50 LYS HE3 H 1 2.964 0.030 . 1 . . . . 50 LYS HE3 . 10243 1 510 . 1 1 50 50 LYS HG2 H 1 1.417 0.030 . 2 . . . . 50 LYS HG2 . 10243 1 511 . 1 1 50 50 LYS HG3 H 1 1.151 0.030 . 2 . . . . 50 LYS HG3 . 10243 1 512 . 1 1 50 50 LYS C C 13 173.571 0.300 . 1 . . . . 50 LYS C . 10243 1 513 . 1 1 50 50 LYS CA C 13 58.199 0.300 . 1 . . . . 50 LYS CA . 10243 1 514 . 1 1 50 50 LYS CB C 13 33.479 0.300 . 1 . . . . 50 LYS CB . 10243 1 515 . 1 1 50 50 LYS CD C 13 29.275 0.300 . 1 . . . . 50 LYS CD . 10243 1 516 . 1 1 50 50 LYS CE C 13 42.217 0.300 . 1 . . . . 50 LYS CE . 10243 1 517 . 1 1 50 50 LYS CG C 13 26.305 0.300 . 1 . . . . 50 LYS CG . 10243 1 518 . 1 1 50 50 LYS N N 15 123.259 0.300 . 1 . . . . 50 LYS N . 10243 1 519 . 1 1 51 51 ALA H H 1 7.740 0.030 . 1 . . . . 51 ALA H . 10243 1 520 . 1 1 51 51 ALA HA H 1 5.179 0.030 . 1 . . . . 51 ALA HA . 10243 1 521 . 1 1 51 51 ALA HB1 H 1 1.197 0.030 . 1 . . . . 51 ALA HB . 10243 1 522 . 1 1 51 51 ALA HB2 H 1 1.197 0.030 . 1 . . . . 51 ALA HB . 10243 1 523 . 1 1 51 51 ALA HB3 H 1 1.197 0.030 . 1 . . . . 51 ALA HB . 10243 1 524 . 1 1 51 51 ALA C C 13 175.844 0.300 . 1 . . . . 51 ALA C . 10243 1 525 . 1 1 51 51 ALA CA C 13 50.329 0.300 . 1 . . . . 51 ALA CA . 10243 1 526 . 1 1 51 51 ALA CB C 13 22.741 0.300 . 1 . . . . 51 ALA CB . 10243 1 527 . 1 1 51 51 ALA N N 15 123.792 0.300 . 1 . . . . 51 ALA N . 10243 1 528 . 1 1 52 52 PHE H H 1 8.698 0.030 . 1 . . . . 52 PHE H . 10243 1 529 . 1 1 52 52 PHE HA H 1 4.653 0.030 . 1 . . . . 52 PHE HA . 10243 1 530 . 1 1 52 52 PHE HB2 H 1 3.577 0.030 . 2 . . . . 52 PHE HB2 . 10243 1 531 . 1 1 52 52 PHE HB3 H 1 2.722 0.030 . 2 . . . . 52 PHE HB3 . 10243 1 532 . 1 1 52 52 PHE HD1 H 1 7.241 0.030 . 1 . . . . 52 PHE HD1 . 10243 1 533 . 1 1 52 52 PHE HD2 H 1 7.241 0.030 . 1 . . . . 52 PHE HD2 . 10243 1 534 . 1 1 52 52 PHE HE1 H 1 6.827 0.030 . 1 . . . . 52 PHE HE1 . 10243 1 535 . 1 1 52 52 PHE HE2 H 1 6.827 0.030 . 1 . . . . 52 PHE HE2 . 10243 1 536 . 1 1 52 52 PHE HZ H 1 6.367 0.030 . 1 . . . . 52 PHE HZ . 10243 1 537 . 1 1 52 52 PHE C C 13 175.640 0.300 . 1 . . . . 52 PHE C . 10243 1 538 . 1 1 52 52 PHE CA C 13 57.636 0.300 . 1 . . . . 52 PHE CA . 10243 1 539 . 1 1 52 52 PHE CB C 13 43.314 0.300 . 1 . . . . 52 PHE CB . 10243 1 540 . 1 1 52 52 PHE CD1 C 13 131.890 0.300 . 1 . . . . 52 PHE CD1 . 10243 1 541 . 1 1 52 52 PHE CD2 C 13 131.890 0.300 . 1 . . . . 52 PHE CD2 . 10243 1 542 . 1 1 52 52 PHE CE1 C 13 130.770 0.300 . 1 . . . . 52 PHE CE1 . 10243 1 543 . 1 1 52 52 PHE CE2 C 13 130.770 0.300 . 1 . . . . 52 PHE CE2 . 10243 1 544 . 1 1 52 52 PHE CZ C 13 128.920 0.300 . 1 . . . . 52 PHE CZ . 10243 1 545 . 1 1 52 52 PHE N N 15 116.792 0.300 . 1 . . . . 52 PHE N . 10243 1 546 . 1 1 53 53 SER H H 1 9.246 0.030 . 1 . . . . 53 SER H . 10243 1 547 . 1 1 53 53 SER HA H 1 4.627 0.030 . 1 . . . . 53 SER HA . 10243 1 548 . 1 1 53 53 SER HB2 H 1 4.088 0.030 . 1 . . . . 53 SER HB2 . 10243 1 549 . 1 1 53 53 SER HB3 H 1 4.088 0.030 . 1 . . . . 53 SER HB3 . 10243 1 550 . 1 1 53 53 SER C C 13 173.837 0.300 . 1 . . . . 53 SER C . 10243 1 551 . 1 1 53 53 SER CA C 13 60.959 0.300 . 1 . . . . 53 SER CA . 10243 1 552 . 1 1 53 53 SER CB C 13 64.077 0.300 . 1 . . . . 53 SER CB . 10243 1 553 . 1 1 53 53 SER N N 15 116.932 0.300 . 1 . . . . 53 SER N . 10243 1 554 . 1 1 54 54 GLN H H 1 7.873 0.030 . 1 . . . . 54 GLN H . 10243 1 555 . 1 1 54 54 GLN HA H 1 4.774 0.030 . 1 . . . . 54 GLN HA . 10243 1 556 . 1 1 54 54 GLN HB2 H 1 2.230 0.030 . 2 . . . . 54 GLN HB2 . 10243 1 557 . 1 1 54 54 GLN HB3 H 1 1.910 0.030 . 2 . . . . 54 GLN HB3 . 10243 1 558 . 1 1 54 54 GLN HE21 H 1 7.558 0.030 . 2 . . . . 54 GLN HE21 . 10243 1 559 . 1 1 54 54 GLN HE22 H 1 6.934 0.030 . 2 . . . . 54 GLN HE22 . 10243 1 560 . 1 1 54 54 GLN HG2 H 1 2.414 0.030 . 1 . . . . 54 GLN HG2 . 10243 1 561 . 1 1 54 54 GLN HG3 H 1 2.414 0.030 . 1 . . . . 54 GLN HG3 . 10243 1 562 . 1 1 54 54 GLN C C 13 176.112 0.300 . 1 . . . . 54 GLN C . 10243 1 563 . 1 1 54 54 GLN CA C 13 53.972 0.300 . 1 . . . . 54 GLN CA . 10243 1 564 . 1 1 54 54 GLN CB C 13 32.160 0.300 . 1 . . . . 54 GLN CB . 10243 1 565 . 1 1 54 54 GLN CG C 13 33.652 0.300 . 1 . . . . 54 GLN CG . 10243 1 566 . 1 1 54 54 GLN N N 15 116.030 0.300 . 1 . . . . 54 GLN N . 10243 1 567 . 1 1 54 54 GLN NE2 N 15 112.505 0.300 . 1 . . . . 54 GLN NE2 . 10243 1 568 . 1 1 55 55 ASN H H 1 8.494 0.030 . 1 . . . . 55 ASN H . 10243 1 569 . 1 1 55 55 ASN HA H 1 3.540 0.030 . 1 . . . . 55 ASN HA . 10243 1 570 . 1 1 55 55 ASN HB2 H 1 2.385 0.030 . 2 . . . . 55 ASN HB2 . 10243 1 571 . 1 1 55 55 ASN HB3 H 1 1.987 0.030 . 2 . . . . 55 ASN HB3 . 10243 1 572 . 1 1 55 55 ASN HD21 H 1 7.238 0.030 . 2 . . . . 55 ASN HD21 . 10243 1 573 . 1 1 55 55 ASN HD22 H 1 6.740 0.030 . 2 . . . . 55 ASN HD22 . 10243 1 574 . 1 1 55 55 ASN C C 13 177.306 0.300 . 1 . . . . 55 ASN C . 10243 1 575 . 1 1 55 55 ASN CA C 13 56.094 0.300 . 1 . . . . 55 ASN CA . 10243 1 576 . 1 1 55 55 ASN CB C 13 38.260 0.300 . 1 . . . . 55 ASN CB . 10243 1 577 . 1 1 55 55 ASN N N 15 124.248 0.300 . 1 . . . . 55 ASN N . 10243 1 578 . 1 1 55 55 ASN ND2 N 15 111.761 0.300 . 1 . . . . 55 ASN ND2 . 10243 1 579 . 1 1 56 56 SER HA H 1 3.867 0.030 . 1 . . . . 56 SER HA . 10243 1 580 . 1 1 56 56 SER HB2 H 1 3.798 0.030 . 1 . . . . 56 SER HB2 . 10243 1 581 . 1 1 56 56 SER HB3 H 1 3.798 0.030 . 1 . . . . 56 SER HB3 . 10243 1 582 . 1 1 56 56 SER C C 13 176.822 0.300 . 1 . . . . 56 SER C . 10243 1 583 . 1 1 56 56 SER CA C 13 60.888 0.300 . 1 . . . . 56 SER CA . 10243 1 584 . 1 1 56 56 SER CB C 13 61.588 0.300 . 1 . . . . 56 SER CB . 10243 1 585 . 1 1 57 57 GLY H H 1 7.104 0.030 . 1 . . . . 57 GLY H . 10243 1 586 . 1 1 57 57 GLY HA2 H 1 3.893 0.030 . 2 . . . . 57 GLY HA2 . 10243 1 587 . 1 1 57 57 GLY HA3 H 1 3.718 0.030 . 2 . . . . 57 GLY HA3 . 10243 1 588 . 1 1 57 57 GLY C C 13 175.641 0.300 . 1 . . . . 57 GLY C . 10243 1 589 . 1 1 57 57 GLY CA C 13 46.508 0.300 . 1 . . . . 57 GLY CA . 10243 1 590 . 1 1 57 57 GLY N N 15 109.816 0.300 . 1 . . . . 57 GLY N . 10243 1 591 . 1 1 58 58 LEU H H 1 6.781 0.030 . 1 . . . . 58 LEU H . 10243 1 592 . 1 1 58 58 LEU HA H 1 3.288 0.030 . 1 . . . . 58 LEU HA . 10243 1 593 . 1 1 58 58 LEU HB2 H 1 2.072 0.030 . 2 . . . . 58 LEU HB2 . 10243 1 594 . 1 1 58 58 LEU HB3 H 1 1.269 0.030 . 2 . . . . 58 LEU HB3 . 10243 1 595 . 1 1 58 58 LEU HD11 H 1 1.028 0.030 . 1 . . . . 58 LEU HD1 . 10243 1 596 . 1 1 58 58 LEU HD12 H 1 1.028 0.030 . 1 . . . . 58 LEU HD1 . 10243 1 597 . 1 1 58 58 LEU HD13 H 1 1.028 0.030 . 1 . . . . 58 LEU HD1 . 10243 1 598 . 1 1 58 58 LEU HD21 H 1 1.035 0.030 . 1 . . . . 58 LEU HD2 . 10243 1 599 . 1 1 58 58 LEU HD22 H 1 1.035 0.030 . 1 . . . . 58 LEU HD2 . 10243 1 600 . 1 1 58 58 LEU HD23 H 1 1.035 0.030 . 1 . . . . 58 LEU HD2 . 10243 1 601 . 1 1 58 58 LEU HG H 1 1.490 0.030 . 1 . . . . 58 LEU HG . 10243 1 602 . 1 1 58 58 LEU C C 13 177.650 0.300 . 1 . . . . 58 LEU C . 10243 1 603 . 1 1 58 58 LEU CA C 13 57.726 0.300 . 1 . . . . 58 LEU CA . 10243 1 604 . 1 1 58 58 LEU CB C 13 40.656 0.300 . 1 . . . . 58 LEU CB . 10243 1 605 . 1 1 58 58 LEU CD1 C 13 22.792 0.300 . 2 . . . . 58 LEU CD1 . 10243 1 606 . 1 1 58 58 LEU CD2 C 13 26.210 0.300 . 2 . . . . 58 LEU CD2 . 10243 1 607 . 1 1 58 58 LEU CG C 13 27.462 0.300 . 1 . . . . 58 LEU CG . 10243 1 608 . 1 1 58 58 LEU N N 15 124.058 0.300 . 1 . . . . 58 LEU N . 10243 1 609 . 1 1 59 59 ILE H H 1 8.281 0.030 . 1 . . . . 59 ILE H . 10243 1 610 . 1 1 59 59 ILE HA H 1 3.686 0.030 . 1 . . . . 59 ILE HA . 10243 1 611 . 1 1 59 59 ILE HB H 1 1.656 0.030 . 1 . . . . 59 ILE HB . 10243 1 612 . 1 1 59 59 ILE HD11 H 1 0.687 0.030 . 1 . . . . 59 ILE HD1 . 10243 1 613 . 1 1 59 59 ILE HD12 H 1 0.687 0.030 . 1 . . . . 59 ILE HD1 . 10243 1 614 . 1 1 59 59 ILE HD13 H 1 0.687 0.030 . 1 . . . . 59 ILE HD1 . 10243 1 615 . 1 1 59 59 ILE HG12 H 1 1.421 0.030 . 2 . . . . 59 ILE HG12 . 10243 1 616 . 1 1 59 59 ILE HG13 H 1 1.139 0.030 . 2 . . . . 59 ILE HG13 . 10243 1 617 . 1 1 59 59 ILE HG21 H 1 0.812 0.030 . 1 . . . . 59 ILE HG2 . 10243 1 618 . 1 1 59 59 ILE HG22 H 1 0.812 0.030 . 1 . . . . 59 ILE HG2 . 10243 1 619 . 1 1 59 59 ILE HG23 H 1 0.812 0.030 . 1 . . . . 59 ILE HG2 . 10243 1 620 . 1 1 59 59 ILE C C 13 179.220 0.300 . 1 . . . . 59 ILE C . 10243 1 621 . 1 1 59 59 ILE CA C 13 64.389 0.300 . 1 . . . . 59 ILE CA . 10243 1 622 . 1 1 59 59 ILE CB C 13 37.545 0.300 . 1 . . . . 59 ILE CB . 10243 1 623 . 1 1 59 59 ILE CD1 C 13 12.377 0.300 . 1 . . . . 59 ILE CD1 . 10243 1 624 . 1 1 59 59 ILE CG1 C 13 28.616 0.300 . 1 . . . . 59 ILE CG1 . 10243 1 625 . 1 1 59 59 ILE CG2 C 13 17.110 0.300 . 1 . . . . 59 ILE CG2 . 10243 1 626 . 1 1 59 59 ILE N N 15 119.575 0.300 . 1 . . . . 59 ILE N . 10243 1 627 . 1 1 60 60 ASN H H 1 7.677 0.030 . 1 . . . . 60 ASN H . 10243 1 628 . 1 1 60 60 ASN HA H 1 4.326 0.030 . 1 . . . . 60 ASN HA . 10243 1 629 . 1 1 60 60 ASN HB2 H 1 2.719 0.030 . 2 . . . . 60 ASN HB2 . 10243 1 630 . 1 1 60 60 ASN HB3 H 1 2.682 0.030 . 2 . . . . 60 ASN HB3 . 10243 1 631 . 1 1 60 60 ASN HD21 H 1 7.638 0.030 . 2 . . . . 60 ASN HD21 . 10243 1 632 . 1 1 60 60 ASN HD22 H 1 6.934 0.030 . 2 . . . . 60 ASN HD22 . 10243 1 633 . 1 1 60 60 ASN C C 13 177.688 0.300 . 1 . . . . 60 ASN C . 10243 1 634 . 1 1 60 60 ASN CA C 13 56.183 0.300 . 1 . . . . 60 ASN CA . 10243 1 635 . 1 1 60 60 ASN CB C 13 38.549 0.300 . 1 . . . . 60 ASN CB . 10243 1 636 . 1 1 60 60 ASN N N 15 116.791 0.300 . 1 . . . . 60 ASN N . 10243 1 637 . 1 1 60 60 ASN ND2 N 15 113.362 0.300 . 1 . . . . 60 ASN ND2 . 10243 1 638 . 1 1 61 61 HIS H H 1 7.526 0.030 . 1 . . . . 61 HIS H . 10243 1 639 . 1 1 61 61 HIS HA H 1 4.172 0.030 . 1 . . . . 61 HIS HA . 10243 1 640 . 1 1 61 61 HIS HB2 H 1 3.096 0.030 . 2 . . . . 61 HIS HB2 . 10243 1 641 . 1 1 61 61 HIS HB3 H 1 2.860 0.030 . 2 . . . . 61 HIS HB3 . 10243 1 642 . 1 1 61 61 HIS HD2 H 1 6.913 0.030 . 1 . . . . 61 HIS HD2 . 10243 1 643 . 1 1 61 61 HIS C C 13 176.063 0.300 . 1 . . . . 61 HIS C . 10243 1 644 . 1 1 61 61 HIS CA C 13 58.924 0.300 . 1 . . . . 61 HIS CA . 10243 1 645 . 1 1 61 61 HIS CB C 13 29.110 0.300 . 1 . . . . 61 HIS CB . 10243 1 646 . 1 1 61 61 HIS CD2 C 13 127.178 0.300 . 1 . . . . 61 HIS CD2 . 10243 1 647 . 1 1 61 61 HIS N N 15 119.310 0.300 . 1 . . . . 61 HIS N . 10243 1 648 . 1 1 62 62 GLN H H 1 8.345 0.030 . 1 . . . . 62 GLN H . 10243 1 649 . 1 1 62 62 GLN HA H 1 3.631 0.030 . 1 . . . . 62 GLN HA . 10243 1 650 . 1 1 62 62 GLN HB2 H 1 2.307 0.030 . 2 . . . . 62 GLN HB2 . 10243 1 651 . 1 1 62 62 GLN HB3 H 1 2.179 0.030 . 2 . . . . 62 GLN HB3 . 10243 1 652 . 1 1 62 62 GLN HE21 H 1 7.558 0.030 . 2 . . . . 62 GLN HE21 . 10243 1 653 . 1 1 62 62 GLN HE22 H 1 6.953 0.030 . 2 . . . . 62 GLN HE22 . 10243 1 654 . 1 1 62 62 GLN HG2 H 1 2.824 0.030 . 2 . . . . 62 GLN HG2 . 10243 1 655 . 1 1 62 62 GLN HG3 H 1 2.765 0.030 . 2 . . . . 62 GLN HG3 . 10243 1 656 . 1 1 62 62 GLN C C 13 177.302 0.300 . 1 . . . . 62 GLN C . 10243 1 657 . 1 1 62 62 GLN CA C 13 59.260 0.300 . 1 . . . . 62 GLN CA . 10243 1 658 . 1 1 62 62 GLN CB C 13 28.161 0.300 . 1 . . . . 62 GLN CB . 10243 1 659 . 1 1 62 62 GLN CG C 13 35.238 0.300 . 1 . . . . 62 GLN CG . 10243 1 660 . 1 1 62 62 GLN N N 15 115.573 0.300 . 1 . . . . 62 GLN N . 10243 1 661 . 1 1 62 62 GLN NE2 N 15 111.738 0.300 . 1 . . . . 62 GLN NE2 . 10243 1 662 . 1 1 63 63 ARG H H 1 7.029 0.030 . 1 . . . . 63 ARG H . 10243 1 663 . 1 1 63 63 ARG HA H 1 4.091 0.030 . 1 . . . . 63 ARG HA . 10243 1 664 . 1 1 63 63 ARG HB2 H 1 1.843 0.030 . 2 . . . . 63 ARG HB2 . 10243 1 665 . 1 1 63 63 ARG HB3 H 1 1.773 0.030 . 2 . . . . 63 ARG HB3 . 10243 1 666 . 1 1 63 63 ARG HD2 H 1 3.210 0.030 . 1 . . . . 63 ARG HD2 . 10243 1 667 . 1 1 63 63 ARG HD3 H 1 3.210 0.030 . 1 . . . . 63 ARG HD3 . 10243 1 668 . 1 1 63 63 ARG HG2 H 1 1.785 0.030 . 2 . . . . 63 ARG HG2 . 10243 1 669 . 1 1 63 63 ARG HG3 H 1 1.655 0.030 . 2 . . . . 63 ARG HG3 . 10243 1 670 . 1 1 63 63 ARG C C 13 178.257 0.300 . 1 . . . . 63 ARG C . 10243 1 671 . 1 1 63 63 ARG CA C 13 58.505 0.300 . 1 . . . . 63 ARG CA . 10243 1 672 . 1 1 63 63 ARG CB C 13 30.046 0.300 . 1 . . . . 63 ARG CB . 10243 1 673 . 1 1 63 63 ARG CD C 13 43.382 0.300 . 1 . . . . 63 ARG CD . 10243 1 674 . 1 1 63 63 ARG CG C 13 27.543 0.300 . 1 . . . . 63 ARG CG . 10243 1 675 . 1 1 63 63 ARG N N 15 117.521 0.300 . 1 . . . . 63 ARG N . 10243 1 676 . 1 1 64 64 ILE H H 1 7.763 0.030 . 1 . . . . 64 ILE H . 10243 1 677 . 1 1 64 64 ILE HA H 1 3.988 0.030 . 1 . . . . 64 ILE HA . 10243 1 678 . 1 1 64 64 ILE HB H 1 1.678 0.030 . 1 . . . . 64 ILE HB . 10243 1 679 . 1 1 64 64 ILE HD11 H 1 0.683 0.030 . 1 . . . . 64 ILE HD1 . 10243 1 680 . 1 1 64 64 ILE HD12 H 1 0.683 0.030 . 1 . . . . 64 ILE HD1 . 10243 1 681 . 1 1 64 64 ILE HD13 H 1 0.683 0.030 . 1 . . . . 64 ILE HD1 . 10243 1 682 . 1 1 64 64 ILE HG12 H 1 0.916 0.030 . 2 . . . . 64 ILE HG12 . 10243 1 683 . 1 1 64 64 ILE HG13 H 1 0.687 0.030 . 2 . . . . 64 ILE HG13 . 10243 1 684 . 1 1 64 64 ILE HG21 H 1 0.534 0.030 . 1 . . . . 64 ILE HG2 . 10243 1 685 . 1 1 64 64 ILE HG22 H 1 0.534 0.030 . 1 . . . . 64 ILE HG2 . 10243 1 686 . 1 1 64 64 ILE HG23 H 1 0.534 0.030 . 1 . . . . 64 ILE HG2 . 10243 1 687 . 1 1 64 64 ILE C C 13 177.138 0.300 . 1 . . . . 64 ILE C . 10243 1 688 . 1 1 64 64 ILE CA C 13 62.780 0.300 . 1 . . . . 64 ILE CA . 10243 1 689 . 1 1 64 64 ILE CB C 13 37.760 0.300 . 1 . . . . 64 ILE CB . 10243 1 690 . 1 1 64 64 ILE CD1 C 13 14.436 0.300 . 1 . . . . 64 ILE CD1 . 10243 1 691 . 1 1 64 64 ILE CG1 C 13 26.598 0.300 . 1 . . . . 64 ILE CG1 . 10243 1 692 . 1 1 64 64 ILE CG2 C 13 16.581 0.300 . 1 . . . . 64 ILE CG2 . 10243 1 693 . 1 1 64 64 ILE N N 15 115.601 0.300 . 1 . . . . 64 ILE N . 10243 1 694 . 1 1 65 65 HIS H H 1 7.261 0.030 . 1 . . . . 65 HIS H . 10243 1 695 . 1 1 65 65 HIS HA H 1 4.867 0.030 . 1 . . . . 65 HIS HA . 10243 1 696 . 1 1 65 65 HIS HB2 H 1 3.365 0.030 . 2 . . . . 65 HIS HB2 . 10243 1 697 . 1 1 65 65 HIS HB3 H 1 3.173 0.030 . 2 . . . . 65 HIS HB3 . 10243 1 698 . 1 1 65 65 HIS HD2 H 1 6.727 0.030 . 1 . . . . 65 HIS HD2 . 10243 1 699 . 1 1 65 65 HIS HE1 H 1 7.999 0.030 . 1 . . . . 65 HIS HE1 . 10243 1 700 . 1 1 65 65 HIS C C 13 175.314 0.300 . 1 . . . . 65 HIS C . 10243 1 701 . 1 1 65 65 HIS CA C 13 54.927 0.300 . 1 . . . . 65 HIS CA . 10243 1 702 . 1 1 65 65 HIS CB C 13 28.723 0.300 . 1 . . . . 65 HIS CB . 10243 1 703 . 1 1 65 65 HIS CD2 C 13 127.509 0.300 . 1 . . . . 65 HIS CD2 . 10243 1 704 . 1 1 65 65 HIS CE1 C 13 139.708 0.300 . 1 . . . . 65 HIS CE1 . 10243 1 705 . 1 1 65 65 HIS N N 15 118.018 0.300 . 1 . . . . 65 HIS N . 10243 1 706 . 1 1 66 66 THR H H 1 7.717 0.030 . 1 . . . . 66 THR H . 10243 1 707 . 1 1 66 66 THR HA H 1 4.433 0.030 . 1 . . . . 66 THR HA . 10243 1 708 . 1 1 66 66 THR HB H 1 4.290 0.030 . 1 . . . . 66 THR HB . 10243 1 709 . 1 1 66 66 THR HG21 H 1 1.213 0.030 . 1 . . . . 66 THR HG2 . 10243 1 710 . 1 1 66 66 THR HG22 H 1 1.213 0.030 . 1 . . . . 66 THR HG2 . 10243 1 711 . 1 1 66 66 THR HG23 H 1 1.213 0.030 . 1 . . . . 66 THR HG2 . 10243 1 712 . 1 1 66 66 THR C C 13 174.569 0.300 . 1 . . . . 66 THR C . 10243 1 713 . 1 1 66 66 THR CA C 13 61.984 0.300 . 1 . . . . 66 THR CA . 10243 1 714 . 1 1 66 66 THR CB C 13 69.832 0.300 . 1 . . . . 66 THR CB . 10243 1 715 . 1 1 66 66 THR CG2 C 13 21.533 0.300 . 1 . . . . 66 THR CG2 . 10243 1 716 . 1 1 66 66 THR N N 15 112.598 0.300 . 1 . . . . 66 THR N . 10243 1 717 . 1 1 67 67 SER H H 1 8.272 0.030 . 1 . . . . 67 SER H . 10243 1 718 . 1 1 67 67 SER HA H 1 4.540 0.030 . 1 . . . . 67 SER HA . 10243 1 719 . 1 1 67 67 SER HB2 H 1 3.885 0.030 . 1 . . . . 67 SER HB2 . 10243 1 720 . 1 1 67 67 SER HB3 H 1 3.885 0.030 . 1 . . . . 67 SER HB3 . 10243 1 721 . 1 1 67 67 SER C C 13 174.531 0.300 . 1 . . . . 67 SER C . 10243 1 722 . 1 1 67 67 SER CA C 13 58.517 0.300 . 1 . . . . 67 SER CA . 10243 1 723 . 1 1 67 67 SER CB C 13 64.041 0.300 . 1 . . . . 67 SER CB . 10243 1 724 . 1 1 67 67 SER N N 15 117.832 0.300 . 1 . . . . 67 SER N . 10243 1 725 . 1 1 68 68 GLY H H 1 8.223 0.030 . 1 . . . . 68 GLY H . 10243 1 726 . 1 1 68 68 GLY HA2 H 1 4.153 0.030 . 2 . . . . 68 GLY HA2 . 10243 1 727 . 1 1 68 68 GLY HA3 H 1 4.101 0.030 . 2 . . . . 68 GLY HA3 . 10243 1 728 . 1 1 68 68 GLY C C 13 171.817 0.300 . 1 . . . . 68 GLY C . 10243 1 729 . 1 1 68 68 GLY CA C 13 44.704 0.300 . 1 . . . . 68 GLY CA . 10243 1 730 . 1 1 68 68 GLY N N 15 110.671 0.300 . 1 . . . . 68 GLY N . 10243 1 731 . 1 1 69 69 PRO HA H 1 4.469 0.030 . 1 . . . . 69 PRO HA . 10243 1 732 . 1 1 69 69 PRO HB2 H 1 2.285 0.030 . 1 . . . . 69 PRO HB2 . 10243 1 733 . 1 1 69 69 PRO HB3 H 1 2.285 0.030 . 1 . . . . 69 PRO HB3 . 10243 1 734 . 1 1 69 69 PRO HD2 H 1 3.620 0.030 . 1 . . . . 69 PRO HD2 . 10243 1 735 . 1 1 69 69 PRO HD3 H 1 3.620 0.030 . 1 . . . . 69 PRO HD3 . 10243 1 736 . 1 1 69 69 PRO HG2 H 1 2.005 0.030 . 1 . . . . 69 PRO HG2 . 10243 1 737 . 1 1 69 69 PRO HG3 H 1 2.005 0.030 . 1 . . . . 69 PRO HG3 . 10243 1 738 . 1 1 69 69 PRO CA C 13 63.244 0.300 . 1 . . . . 69 PRO CA . 10243 1 739 . 1 1 69 69 PRO CB C 13 32.208 0.300 . 1 . . . . 69 PRO CB . 10243 1 740 . 1 1 69 69 PRO CD C 13 49.801 0.300 . 1 . . . . 69 PRO CD . 10243 1 741 . 1 1 69 69 PRO CG C 13 27.153 0.300 . 1 . . . . 69 PRO CG . 10243 1 stop_ save_