data_10257 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10257 _Entry.Title ; Solution structures of the C2H2 type zinc finger domain of human zinc finger BED domain containing protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-21 _Entry.Accession_date 2008-11-21 _Entry.Last_release_date 2009-11-24 _Entry.Original_release_date 2009-11-24 _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 . . . 10257 2 A. Sasagawa . . . 10257 3 N. Tochio . . . 10257 4 S. Koshiba . . . 10257 5 M. Inoue . . . 10257 6 T. Kigawa . . . 10257 7 S. Yokoyama . . . 10257 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' 10257 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10257 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 10257 '15N chemical shifts' 59 10257 '1H chemical shifts' 423 10257 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 . . 2009-11-24 2008-11-21 original author . 10257 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJR 'BMRB Entry Tracking System' 10257 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10257 _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 BED domain containing protein 2 ; _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 . . . 10257 1 2 A. Sasagawa . . . 10257 1 3 N. Tochio . . . 10257 1 4 S. Koshiba . . . 10257 1 5 M. Inoue . . . 10257 1 6 T. Kigawa . . . 10257 1 7 S. Yokoyama . . . 10257 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10257 _Assembly.ID 1 _Assembly.Name 'Zinc finger BED domain-containing protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _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 . . . 10257 1 2 'ZINC ION' 2 $ZN . . no native no no . . . 10257 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 31 31 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 10257 1 2 coordination single . 1 'C2H2 type zinc finger domain' 1 CYS 34 34 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 34 CYS SG . . . . ZN 10257 1 3 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 54 54 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 54 HIS NE2 . . . . ZN 10257 1 4 coordination single . 1 'C2H2 type zinc finger domain' 1 HIS 59 59 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 59 HIS NE2 . . . . ZN 10257 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 54 54 HE2 . 54 HIS HE2 10257 1 . . 1 1 HIS 59 59 HE2 . 59 HIS HE2 10257 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 10257 1 . . 1 1 CYS 34 34 HG . 34 CYS HG 10257 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 2DJR . . . . . . 10257 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10257 _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 ; GSSGSSGSEAWEYFHLAPAR AGHHPNQYATCRLCGRQVSR GPGVNVGTTALWKHLKSMHR EELEKSGHGQSGPSSG ; _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 76 _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 2DJR . "Solution Structures Of The C2h2 Type Zinc Finger Domain Of Human Zinc Finger Bed Domain Containing Protein 2" . . . . . 100.00 76 100.00 100.00 8.02e-47 . . . . 10257 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 . 10257 1 2 . SER . 10257 1 3 . SER . 10257 1 4 . GLY . 10257 1 5 . SER . 10257 1 6 . SER . 10257 1 7 . GLY . 10257 1 8 . SER . 10257 1 9 . GLU . 10257 1 10 . ALA . 10257 1 11 . TRP . 10257 1 12 . GLU . 10257 1 13 . TYR . 10257 1 14 . PHE . 10257 1 15 . HIS . 10257 1 16 . LEU . 10257 1 17 . ALA . 10257 1 18 . PRO . 10257 1 19 . ALA . 10257 1 20 . ARG . 10257 1 21 . ALA . 10257 1 22 . GLY . 10257 1 23 . HIS . 10257 1 24 . HIS . 10257 1 25 . PRO . 10257 1 26 . ASN . 10257 1 27 . GLN . 10257 1 28 . TYR . 10257 1 29 . ALA . 10257 1 30 . THR . 10257 1 31 . CYS . 10257 1 32 . ARG . 10257 1 33 . LEU . 10257 1 34 . CYS . 10257 1 35 . GLY . 10257 1 36 . ARG . 10257 1 37 . GLN . 10257 1 38 . VAL . 10257 1 39 . SER . 10257 1 40 . ARG . 10257 1 41 . GLY . 10257 1 42 . PRO . 10257 1 43 . GLY . 10257 1 44 . VAL . 10257 1 45 . ASN . 10257 1 46 . VAL . 10257 1 47 . GLY . 10257 1 48 . THR . 10257 1 49 . THR . 10257 1 50 . ALA . 10257 1 51 . LEU . 10257 1 52 . TRP . 10257 1 53 . LYS . 10257 1 54 . HIS . 10257 1 55 . LEU . 10257 1 56 . LYS . 10257 1 57 . SER . 10257 1 58 . MET . 10257 1 59 . HIS . 10257 1 60 . ARG . 10257 1 61 . GLU . 10257 1 62 . GLU . 10257 1 63 . LEU . 10257 1 64 . GLU . 10257 1 65 . LYS . 10257 1 66 . SER . 10257 1 67 . GLY . 10257 1 68 . HIS . 10257 1 69 . GLY . 10257 1 70 . GLN . 10257 1 71 . SER . 10257 1 72 . GLY . 10257 1 73 . PRO . 10257 1 74 . SER . 10257 1 75 . SER . 10257 1 76 . GLY . 10257 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 10257 1 . SER 2 2 10257 1 . SER 3 3 10257 1 . GLY 4 4 10257 1 . SER 5 5 10257 1 . SER 6 6 10257 1 . GLY 7 7 10257 1 . SER 8 8 10257 1 . GLU 9 9 10257 1 . ALA 10 10 10257 1 . TRP 11 11 10257 1 . GLU 12 12 10257 1 . TYR 13 13 10257 1 . PHE 14 14 10257 1 . HIS 15 15 10257 1 . LEU 16 16 10257 1 . ALA 17 17 10257 1 . PRO 18 18 10257 1 . ALA 19 19 10257 1 . ARG 20 20 10257 1 . ALA 21 21 10257 1 . GLY 22 22 10257 1 . HIS 23 23 10257 1 . HIS 24 24 10257 1 . PRO 25 25 10257 1 . ASN 26 26 10257 1 . GLN 27 27 10257 1 . TYR 28 28 10257 1 . ALA 29 29 10257 1 . THR 30 30 10257 1 . CYS 31 31 10257 1 . ARG 32 32 10257 1 . LEU 33 33 10257 1 . CYS 34 34 10257 1 . GLY 35 35 10257 1 . ARG 36 36 10257 1 . GLN 37 37 10257 1 . VAL 38 38 10257 1 . SER 39 39 10257 1 . ARG 40 40 10257 1 . GLY 41 41 10257 1 . PRO 42 42 10257 1 . GLY 43 43 10257 1 . VAL 44 44 10257 1 . ASN 45 45 10257 1 . VAL 46 46 10257 1 . GLY 47 47 10257 1 . THR 48 48 10257 1 . THR 49 49 10257 1 . ALA 50 50 10257 1 . LEU 51 51 10257 1 . TRP 52 52 10257 1 . LYS 53 53 10257 1 . HIS 54 54 10257 1 . LEU 55 55 10257 1 . LYS 56 56 10257 1 . SER 57 57 10257 1 . MET 58 58 10257 1 . HIS 59 59 10257 1 . ARG 60 60 10257 1 . GLU 61 61 10257 1 . GLU 62 62 10257 1 . LEU 63 63 10257 1 . GLU 64 64 10257 1 . LYS 65 65 10257 1 . SER 66 66 10257 1 . GLY 67 67 10257 1 . HIS 68 68 10257 1 . GLY 69 69 10257 1 . GLN 70 70 10257 1 . SER 71 71 10257 1 . GLY 72 72 10257 1 . PRO 73 73 10257 1 . SER 74 74 10257 1 . SER 75 75 10257 1 . GLY 76 76 10257 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10257 _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 . 10257 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 10257 _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 . . . . . . . . . . . . . . . . . . . . . 10257 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 10257 _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 . . P050302-53 . . . . . . 10257 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 10257 _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 10257 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 10257 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 10257 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 10257 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 10257 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 . . . . . . . . . . . . . . . 10257 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10257 _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 . . . . 10257 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10257 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10257 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10257 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10257 1 6 ZnCl2 . . . . . . salt 0.05 . . mM . . . . 10257 1 7 IDA . . . . . . salt 1 . . mM . . . . 10257 1 8 H2O . . . . . . solvent 90 . . % . . . . 10257 1 9 D2O . . . . . . solvent 10 . . % . . . . 10257 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 10257 _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 10257 1 pH 7.0 0.05 pH 10257 1 pressure 1 0.001 atm 10257 1 temperature 298 0.1 K 10257 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10257 _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 . . 10257 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10257 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10257 _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.' . . 10257 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10257 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10257 _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.' . . 10257 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10257 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10257 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10257 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10257 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10257 _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 'Guentert, P.' . . 10257 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10257 5 'structure solution' 10257 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 10257 _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 10257 _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 . . . 10257 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 10257 _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 . . . . . . . . . . . . . . . . 10257 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10257 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 10257 _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 . . . . . . . . . 10257 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10257 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10257 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 10257 _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 10257 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10257 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 4.246 0.030 . 2 . . . . 7 GLY HA2 . 10257 1 2 . 1 1 7 7 GLY HA3 H 1 4.111 0.030 . 2 . . . . 7 GLY HA3 . 10257 1 3 . 1 1 7 7 GLY CA C 13 46.145 0.300 . 1 . . . . 7 GLY CA . 10257 1 4 . 1 1 8 8 SER HA H 1 4.472 0.030 . 1 . . . . 8 SER HA . 10257 1 5 . 1 1 8 8 SER HB2 H 1 4.142 0.030 . 2 . . . . 8 SER HB2 . 10257 1 6 . 1 1 8 8 SER HB3 H 1 4.043 0.030 . 2 . . . . 8 SER HB3 . 10257 1 7 . 1 1 8 8 SER C C 13 175.844 0.300 . 1 . . . . 8 SER C . 10257 1 8 . 1 1 8 8 SER CA C 13 60.307 0.300 . 1 . . . . 8 SER CA . 10257 1 9 . 1 1 8 8 SER CB C 13 63.621 0.300 . 1 . . . . 8 SER CB . 10257 1 10 . 1 1 9 9 GLU H H 1 9.766 0.030 . 1 . . . . 9 GLU H . 10257 1 11 . 1 1 9 9 GLU HA H 1 4.354 0.030 . 1 . . . . 9 GLU HA . 10257 1 12 . 1 1 9 9 GLU HB2 H 1 2.168 0.030 . 2 . . . . 9 GLU HB2 . 10257 1 13 . 1 1 9 9 GLU HB3 H 1 2.090 0.030 . 2 . . . . 9 GLU HB3 . 10257 1 14 . 1 1 9 9 GLU HG2 H 1 2.483 0.030 . 1 . . . . 9 GLU HG2 . 10257 1 15 . 1 1 9 9 GLU HG3 H 1 2.483 0.030 . 1 . . . . 9 GLU HG3 . 10257 1 16 . 1 1 9 9 GLU C C 13 177.495 0.300 . 1 . . . . 9 GLU C . 10257 1 17 . 1 1 9 9 GLU CA C 13 58.823 0.300 . 1 . . . . 9 GLU CA . 10257 1 18 . 1 1 9 9 GLU CB C 13 29.080 0.300 . 1 . . . . 9 GLU CB . 10257 1 19 . 1 1 9 9 GLU CG C 13 36.716 0.300 . 1 . . . . 9 GLU CG . 10257 1 20 . 1 1 9 9 GLU N N 15 124.626 0.300 . 1 . . . . 9 GLU N . 10257 1 21 . 1 1 10 10 ALA H H 1 7.788 0.030 . 1 . . . . 10 ALA H . 10257 1 22 . 1 1 10 10 ALA HA H 1 3.387 0.030 . 1 . . . . 10 ALA HA . 10257 1 23 . 1 1 10 10 ALA HB1 H 1 0.291 0.030 . 1 . . . . 10 ALA HB . 10257 1 24 . 1 1 10 10 ALA HB2 H 1 0.291 0.030 . 1 . . . . 10 ALA HB . 10257 1 25 . 1 1 10 10 ALA HB3 H 1 0.291 0.030 . 1 . . . . 10 ALA HB . 10257 1 26 . 1 1 10 10 ALA C C 13 179.145 0.300 . 1 . . . . 10 ALA C . 10257 1 27 . 1 1 10 10 ALA CA C 13 54.588 0.300 . 1 . . . . 10 ALA CA . 10257 1 28 . 1 1 10 10 ALA CB C 13 17.451 0.300 . 1 . . . . 10 ALA CB . 10257 1 29 . 1 1 10 10 ALA N N 15 120.412 0.300 . 1 . . . . 10 ALA N . 10257 1 30 . 1 1 11 11 TRP H H 1 7.481 0.030 . 1 . . . . 11 TRP H . 10257 1 31 . 1 1 11 11 TRP HA H 1 4.440 0.030 . 1 . . . . 11 TRP HA . 10257 1 32 . 1 1 11 11 TRP HB2 H 1 3.210 0.030 . 2 . . . . 11 TRP HB2 . 10257 1 33 . 1 1 11 11 TRP HB3 H 1 3.577 0.030 . 2 . . . . 11 TRP HB3 . 10257 1 34 . 1 1 11 11 TRP HD1 H 1 7.398 0.030 . 1 . . . . 11 TRP HD1 . 10257 1 35 . 1 1 11 11 TRP HE1 H 1 10.107 0.030 . 1 . . . . 11 TRP HE1 . 10257 1 36 . 1 1 11 11 TRP HE3 H 1 7.647 0.030 . 1 . . . . 11 TRP HE3 . 10257 1 37 . 1 1 11 11 TRP HH2 H 1 6.901 0.030 . 1 . . . . 11 TRP HH2 . 10257 1 38 . 1 1 11 11 TRP HZ2 H 1 7.316 0.030 . 1 . . . . 11 TRP HZ2 . 10257 1 39 . 1 1 11 11 TRP HZ3 H 1 6.697 0.030 . 1 . . . . 11 TRP HZ3 . 10257 1 40 . 1 1 11 11 TRP C C 13 177.373 0.300 . 1 . . . . 11 TRP C . 10257 1 41 . 1 1 11 11 TRP CA C 13 59.460 0.300 . 1 . . . . 11 TRP CA . 10257 1 42 . 1 1 11 11 TRP CB C 13 29.033 0.300 . 1 . . . . 11 TRP CB . 10257 1 43 . 1 1 11 11 TRP CD1 C 13 127.153 0.300 . 1 . . . . 11 TRP CD1 . 10257 1 44 . 1 1 11 11 TRP CE3 C 13 121.035 0.300 . 1 . . . . 11 TRP CE3 . 10257 1 45 . 1 1 11 11 TRP CH2 C 13 123.902 0.300 . 1 . . . . 11 TRP CH2 . 10257 1 46 . 1 1 11 11 TRP CZ2 C 13 114.481 0.300 . 1 . . . . 11 TRP CZ2 . 10257 1 47 . 1 1 11 11 TRP CZ3 C 13 121.115 0.300 . 1 . . . . 11 TRP CZ3 . 10257 1 48 . 1 1 11 11 TRP N N 15 113.286 0.300 . 1 . . . . 11 TRP N . 10257 1 49 . 1 1 11 11 TRP NE1 N 15 128.681 0.300 . 1 . . . . 11 TRP NE1 . 10257 1 50 . 1 1 12 12 GLU H H 1 7.771 0.030 . 1 . . . . 12 GLU H . 10257 1 51 . 1 1 12 12 GLU HA H 1 4.100 0.030 . 1 . . . . 12 GLU HA . 10257 1 52 . 1 1 12 12 GLU HB2 H 1 1.767 0.030 . 2 . . . . 12 GLU HB2 . 10257 1 53 . 1 1 12 12 GLU HB3 H 1 1.700 0.030 . 2 . . . . 12 GLU HB3 . 10257 1 54 . 1 1 12 12 GLU HG2 H 1 2.082 0.030 . 1 . . . . 12 GLU HG2 . 10257 1 55 . 1 1 12 12 GLU HG3 H 1 2.082 0.030 . 1 . . . . 12 GLU HG3 . 10257 1 56 . 1 1 12 12 GLU C C 13 177.543 0.300 . 1 . . . . 12 GLU C . 10257 1 57 . 1 1 12 12 GLU CA C 13 58.195 0.300 . 1 . . . . 12 GLU CA . 10257 1 58 . 1 1 12 12 GLU CB C 13 29.265 0.300 . 1 . . . . 12 GLU CB . 10257 1 59 . 1 1 12 12 GLU CG C 13 36.221 0.300 . 1 . . . . 12 GLU CG . 10257 1 60 . 1 1 12 12 GLU N N 15 117.805 0.300 . 1 . . . . 12 GLU N . 10257 1 61 . 1 1 13 13 TYR H H 1 7.748 0.030 . 1 . . . . 13 TYR H . 10257 1 62 . 1 1 13 13 TYR HA H 1 4.181 0.030 . 1 . . . . 13 TYR HA . 10257 1 63 . 1 1 13 13 TYR HB2 H 1 2.653 0.030 . 2 . . . . 13 TYR HB2 . 10257 1 64 . 1 1 13 13 TYR HB3 H 1 2.962 0.030 . 2 . . . . 13 TYR HB3 . 10257 1 65 . 1 1 13 13 TYR HD1 H 1 6.838 0.030 . 1 . . . . 13 TYR HD1 . 10257 1 66 . 1 1 13 13 TYR HD2 H 1 6.838 0.030 . 1 . . . . 13 TYR HD2 . 10257 1 67 . 1 1 13 13 TYR HE1 H 1 6.650 0.030 . 1 . . . . 13 TYR HE1 . 10257 1 68 . 1 1 13 13 TYR HE2 H 1 6.650 0.030 . 1 . . . . 13 TYR HE2 . 10257 1 69 . 1 1 13 13 TYR C C 13 172.809 0.300 . 1 . . . . 13 TYR C . 10257 1 70 . 1 1 13 13 TYR CA C 13 58.524 0.300 . 1 . . . . 13 TYR CA . 10257 1 71 . 1 1 13 13 TYR CB C 13 40.503 0.300 . 1 . . . . 13 TYR CB . 10257 1 72 . 1 1 13 13 TYR CD1 C 13 133.348 0.300 . 1 . . . . 13 TYR CD1 . 10257 1 73 . 1 1 13 13 TYR CD2 C 13 133.348 0.300 . 1 . . . . 13 TYR CD2 . 10257 1 74 . 1 1 13 13 TYR CE1 C 13 117.745 0.300 . 1 . . . . 13 TYR CE1 . 10257 1 75 . 1 1 13 13 TYR CE2 C 13 117.745 0.300 . 1 . . . . 13 TYR CE2 . 10257 1 76 . 1 1 13 13 TYR N N 15 114.665 0.300 . 1 . . . . 13 TYR N . 10257 1 77 . 1 1 14 14 PHE H H 1 7.590 0.030 . 1 . . . . 14 PHE H . 10257 1 78 . 1 1 14 14 PHE HA H 1 5.336 0.030 . 1 . . . . 14 PHE HA . 10257 1 79 . 1 1 14 14 PHE HB2 H 1 2.781 0.030 . 2 . . . . 14 PHE HB2 . 10257 1 80 . 1 1 14 14 PHE HB3 H 1 2.567 0.030 . 2 . . . . 14 PHE HB3 . 10257 1 81 . 1 1 14 14 PHE HD1 H 1 7.040 0.030 . 1 . . . . 14 PHE HD1 . 10257 1 82 . 1 1 14 14 PHE HD2 H 1 7.040 0.030 . 1 . . . . 14 PHE HD2 . 10257 1 83 . 1 1 14 14 PHE HE1 H 1 6.904 0.030 . 1 . . . . 14 PHE HE1 . 10257 1 84 . 1 1 14 14 PHE HE2 H 1 6.904 0.030 . 1 . . . . 14 PHE HE2 . 10257 1 85 . 1 1 14 14 PHE HZ H 1 7.189 0.030 . 1 . . . . 14 PHE HZ . 10257 1 86 . 1 1 14 14 PHE C C 13 174.508 0.300 . 1 . . . . 14 PHE C . 10257 1 87 . 1 1 14 14 PHE CA C 13 56.895 0.300 . 1 . . . . 14 PHE CA . 10257 1 88 . 1 1 14 14 PHE CB C 13 45.117 0.300 . 1 . . . . 14 PHE CB . 10257 1 89 . 1 1 14 14 PHE CD1 C 13 132.451 0.300 . 1 . . . . 14 PHE CD1 . 10257 1 90 . 1 1 14 14 PHE CD2 C 13 132.451 0.300 . 1 . . . . 14 PHE CD2 . 10257 1 91 . 1 1 14 14 PHE CE1 C 13 130.867 0.300 . 1 . . . . 14 PHE CE1 . 10257 1 92 . 1 1 14 14 PHE CE2 C 13 130.867 0.300 . 1 . . . . 14 PHE CE2 . 10257 1 93 . 1 1 14 14 PHE CZ C 13 128.780 0.300 . 1 . . . . 14 PHE CZ . 10257 1 94 . 1 1 14 14 PHE N N 15 115.479 0.300 . 1 . . . . 14 PHE N . 10257 1 95 . 1 1 15 15 HIS H H 1 9.046 0.030 . 1 . . . . 15 HIS H . 10257 1 96 . 1 1 15 15 HIS HA H 1 5.111 0.030 . 1 . . . . 15 HIS HA . 10257 1 97 . 1 1 15 15 HIS HB2 H 1 3.134 0.030 . 2 . . . . 15 HIS HB2 . 10257 1 98 . 1 1 15 15 HIS HB3 H 1 3.044 0.030 . 2 . . . . 15 HIS HB3 . 10257 1 99 . 1 1 15 15 HIS HD2 H 1 6.850 0.030 . 1 . . . . 15 HIS HD2 . 10257 1 100 . 1 1 15 15 HIS HE1 H 1 7.712 0.030 . 1 . . . . 15 HIS HE1 . 10257 1 101 . 1 1 15 15 HIS C C 13 175.455 0.300 . 1 . . . . 15 HIS C . 10257 1 102 . 1 1 15 15 HIS CA C 13 54.841 0.300 . 1 . . . . 15 HIS CA . 10257 1 103 . 1 1 15 15 HIS CB C 13 33.210 0.300 . 1 . . . . 15 HIS CB . 10257 1 104 . 1 1 15 15 HIS CD2 C 13 120.113 0.300 . 1 . . . . 15 HIS CD2 . 10257 1 105 . 1 1 15 15 HIS CE1 C 13 138.423 0.300 . 1 . . . . 15 HIS CE1 . 10257 1 106 . 1 1 15 15 HIS N N 15 118.065 0.300 . 1 . . . . 15 HIS N . 10257 1 107 . 1 1 16 16 LEU H H 1 8.899 0.030 . 1 . . . . 16 LEU H . 10257 1 108 . 1 1 16 16 LEU HA H 1 4.624 0.030 . 1 . . . . 16 LEU HA . 10257 1 109 . 1 1 16 16 LEU HB2 H 1 1.587 0.030 . 1 . . . . 16 LEU HB2 . 10257 1 110 . 1 1 16 16 LEU HB3 H 1 1.587 0.030 . 1 . . . . 16 LEU HB3 . 10257 1 111 . 1 1 16 16 LEU HD11 H 1 0.833 0.030 . 1 . . . . 16 LEU HD1 . 10257 1 112 . 1 1 16 16 LEU HD12 H 1 0.833 0.030 . 1 . . . . 16 LEU HD1 . 10257 1 113 . 1 1 16 16 LEU HD13 H 1 0.833 0.030 . 1 . . . . 16 LEU HD1 . 10257 1 114 . 1 1 16 16 LEU HD21 H 1 0.842 0.030 . 1 . . . . 16 LEU HD2 . 10257 1 115 . 1 1 16 16 LEU HD22 H 1 0.842 0.030 . 1 . . . . 16 LEU HD2 . 10257 1 116 . 1 1 16 16 LEU HD23 H 1 0.842 0.030 . 1 . . . . 16 LEU HD2 . 10257 1 117 . 1 1 16 16 LEU HG H 1 1.633 0.030 . 1 . . . . 16 LEU HG . 10257 1 118 . 1 1 16 16 LEU C C 13 176.256 0.300 . 1 . . . . 16 LEU C . 10257 1 119 . 1 1 16 16 LEU CA C 13 54.947 0.300 . 1 . . . . 16 LEU CA . 10257 1 120 . 1 1 16 16 LEU CB C 13 42.540 0.300 . 1 . . . . 16 LEU CB . 10257 1 121 . 1 1 16 16 LEU CD1 C 13 24.747 0.300 . 2 . . . . 16 LEU CD1 . 10257 1 122 . 1 1 16 16 LEU CD2 C 13 24.213 0.300 . 2 . . . . 16 LEU CD2 . 10257 1 123 . 1 1 16 16 LEU CG C 13 27.147 0.300 . 1 . . . . 16 LEU CG . 10257 1 124 . 1 1 16 16 LEU N N 15 125.895 0.300 . 1 . . . . 16 LEU N . 10257 1 125 . 1 1 17 17 ALA H H 1 8.412 0.030 . 1 . . . . 17 ALA H . 10257 1 126 . 1 1 17 17 ALA HA H 1 4.574 0.030 . 1 . . . . 17 ALA HA . 10257 1 127 . 1 1 17 17 ALA HB1 H 1 1.257 0.030 . 1 . . . . 17 ALA HB . 10257 1 128 . 1 1 17 17 ALA HB2 H 1 1.257 0.030 . 1 . . . . 17 ALA HB . 10257 1 129 . 1 1 17 17 ALA HB3 H 1 1.257 0.030 . 1 . . . . 17 ALA HB . 10257 1 130 . 1 1 17 17 ALA C C 13 175.188 0.300 . 1 . . . . 17 ALA C . 10257 1 131 . 1 1 17 17 ALA CA C 13 50.400 0.300 . 1 . . . . 17 ALA CA . 10257 1 132 . 1 1 17 17 ALA CB C 13 18.205 0.300 . 1 . . . . 17 ALA CB . 10257 1 133 . 1 1 17 17 ALA N N 15 128.151 0.300 . 1 . . . . 17 ALA N . 10257 1 134 . 1 1 18 18 PRO HA H 1 4.373 0.030 . 1 . . . . 18 PRO HA . 10257 1 135 . 1 1 18 18 PRO HB2 H 1 1.836 0.030 . 2 . . . . 18 PRO HB2 . 10257 1 136 . 1 1 18 18 PRO HB3 H 1 2.285 0.030 . 2 . . . . 18 PRO HB3 . 10257 1 137 . 1 1 18 18 PRO HD2 H 1 3.820 0.030 . 2 . . . . 18 PRO HD2 . 10257 1 138 . 1 1 18 18 PRO HD3 H 1 3.599 0.030 . 2 . . . . 18 PRO HD3 . 10257 1 139 . 1 1 18 18 PRO HG2 H 1 2.012 0.030 . 1 . . . . 18 PRO HG2 . 10257 1 140 . 1 1 18 18 PRO HG3 H 1 2.012 0.030 . 1 . . . . 18 PRO HG3 . 10257 1 141 . 1 1 18 18 PRO C C 13 176.621 0.300 . 1 . . . . 18 PRO C . 10257 1 142 . 1 1 18 18 PRO CA C 13 62.911 0.300 . 1 . . . . 18 PRO CA . 10257 1 143 . 1 1 18 18 PRO CB C 13 32.105 0.300 . 1 . . . . 18 PRO CB . 10257 1 144 . 1 1 18 18 PRO CD C 13 50.499 0.300 . 1 . . . . 18 PRO CD . 10257 1 145 . 1 1 18 18 PRO CG C 13 27.575 0.300 . 1 . . . . 18 PRO CG . 10257 1 146 . 1 1 19 19 ALA H H 1 8.434 0.030 . 1 . . . . 19 ALA H . 10257 1 147 . 1 1 19 19 ALA HA H 1 4.300 0.030 . 1 . . . . 19 ALA HA . 10257 1 148 . 1 1 19 19 ALA HB1 H 1 1.336 0.030 . 1 . . . . 19 ALA HB . 10257 1 149 . 1 1 19 19 ALA HB2 H 1 1.336 0.030 . 1 . . . . 19 ALA HB . 10257 1 150 . 1 1 19 19 ALA HB3 H 1 1.336 0.030 . 1 . . . . 19 ALA HB . 10257 1 151 . 1 1 19 19 ALA C C 13 177.834 0.300 . 1 . . . . 19 ALA C . 10257 1 152 . 1 1 19 19 ALA CA C 13 52.515 0.300 . 1 . . . . 19 ALA CA . 10257 1 153 . 1 1 19 19 ALA CB C 13 19.359 0.300 . 1 . . . . 19 ALA CB . 10257 1 154 . 1 1 19 19 ALA N N 15 125.267 0.300 . 1 . . . . 19 ALA N . 10257 1 155 . 1 1 20 20 ARG H H 1 8.450 0.030 . 1 . . . . 20 ARG H . 10257 1 156 . 1 1 20 20 ARG HA H 1 4.366 0.030 . 1 . . . . 20 ARG HA . 10257 1 157 . 1 1 20 20 ARG HB2 H 1 1.750 0.030 . 2 . . . . 20 ARG HB2 . 10257 1 158 . 1 1 20 20 ARG HB3 H 1 1.569 0.030 . 2 . . . . 20 ARG HB3 . 10257 1 159 . 1 1 20 20 ARG HD2 H 1 3.017 0.030 . 2 . . . . 20 ARG HD2 . 10257 1 160 . 1 1 20 20 ARG HD3 H 1 2.968 0.030 . 2 . . . . 20 ARG HD3 . 10257 1 161 . 1 1 20 20 ARG HG2 H 1 1.555 0.030 . 1 . . . . 20 ARG HG2 . 10257 1 162 . 1 1 20 20 ARG HG3 H 1 1.555 0.030 . 1 . . . . 20 ARG HG3 . 10257 1 163 . 1 1 20 20 ARG C C 13 175.795 0.300 . 1 . . . . 20 ARG C . 10257 1 164 . 1 1 20 20 ARG CA C 13 55.405 0.300 . 1 . . . . 20 ARG CA . 10257 1 165 . 1 1 20 20 ARG CB C 13 31.685 0.300 . 1 . . . . 20 ARG CB . 10257 1 166 . 1 1 20 20 ARG CD C 13 43.413 0.300 . 1 . . . . 20 ARG CD . 10257 1 167 . 1 1 20 20 ARG CG C 13 26.957 0.300 . 1 . . . . 20 ARG CG . 10257 1 168 . 1 1 20 20 ARG N N 15 121.353 0.300 . 1 . . . . 20 ARG N . 10257 1 169 . 1 1 21 21 ALA HA H 1 4.229 0.030 . 1 . . . . 21 ALA HA . 10257 1 170 . 1 1 21 21 ALA HB1 H 1 1.372 0.030 . 1 . . . . 21 ALA HB . 10257 1 171 . 1 1 21 21 ALA HB2 H 1 1.372 0.030 . 1 . . . . 21 ALA HB . 10257 1 172 . 1 1 21 21 ALA HB3 H 1 1.372 0.030 . 1 . . . . 21 ALA HB . 10257 1 173 . 1 1 21 21 ALA CA C 13 53.263 0.300 . 1 . . . . 21 ALA CA . 10257 1 174 . 1 1 21 21 ALA CB C 13 18.577 0.300 . 1 . . . . 21 ALA CB . 10257 1 175 . 1 1 22 22 GLY C C 13 175.407 0.300 . 1 . . . . 22 GLY C . 10257 1 176 . 1 1 23 23 HIS HA H 1 4.768 0.030 . 1 . . . . 23 HIS HA . 10257 1 177 . 1 1 23 23 HIS HB2 H 1 3.074 0.030 . 2 . . . . 23 HIS HB2 . 10257 1 178 . 1 1 23 23 HIS HB3 H 1 3.007 0.030 . 2 . . . . 23 HIS HB3 . 10257 1 179 . 1 1 23 23 HIS HD2 H 1 6.999 0.030 . 1 . . . . 23 HIS HD2 . 10257 1 180 . 1 1 23 23 HIS HE1 H 1 7.768 0.030 . 1 . . . . 23 HIS HE1 . 10257 1 181 . 1 1 23 23 HIS C C 13 178.611 0.300 . 1 . . . . 23 HIS C . 10257 1 182 . 1 1 23 23 HIS CA C 13 55.004 0.300 . 1 . . . . 23 HIS CA . 10257 1 183 . 1 1 23 23 HIS CB C 13 30.750 0.300 . 1 . . . . 23 HIS CB . 10257 1 184 . 1 1 23 23 HIS CD2 C 13 119.852 0.300 . 1 . . . . 23 HIS CD2 . 10257 1 185 . 1 1 23 23 HIS CE1 C 13 138.434 0.300 . 1 . . . . 23 HIS CE1 . 10257 1 186 . 1 1 24 24 HIS HA H 1 4.673 0.030 . 1 . . . . 24 HIS HA . 10257 1 187 . 1 1 24 24 HIS HB2 H 1 3.099 0.030 . 2 . . . . 24 HIS HB2 . 10257 1 188 . 1 1 24 24 HIS HB3 H 1 3.035 0.030 . 2 . . . . 24 HIS HB3 . 10257 1 189 . 1 1 24 24 HIS HD2 H 1 6.879 0.030 . 1 . . . . 24 HIS HD2 . 10257 1 190 . 1 1 24 24 HIS HE1 H 1 7.771 0.030 . 1 . . . . 24 HIS HE1 . 10257 1 191 . 1 1 24 24 HIS C C 13 179.801 0.300 . 1 . . . . 24 HIS C . 10257 1 192 . 1 1 24 24 HIS CA C 13 55.610 0.300 . 1 . . . . 24 HIS CA . 10257 1 193 . 1 1 24 24 HIS CB C 13 31.802 0.300 . 1 . . . . 24 HIS CB . 10257 1 194 . 1 1 24 24 HIS CD2 C 13 120.366 0.300 . 1 . . . . 24 HIS CD2 . 10257 1 195 . 1 1 24 24 HIS CE1 C 13 138.673 0.300 . 1 . . . . 24 HIS CE1 . 10257 1 196 . 1 1 25 25 PRO HA H 1 4.429 0.030 . 1 . . . . 25 PRO HA . 10257 1 197 . 1 1 25 25 PRO HB2 H 1 1.899 0.030 . 2 . . . . 25 PRO HB2 . 10257 1 198 . 1 1 25 25 PRO HB3 H 1 2.268 0.030 . 2 . . . . 25 PRO HB3 . 10257 1 199 . 1 1 25 25 PRO HD2 H 1 3.655 0.030 . 2 . . . . 25 PRO HD2 . 10257 1 200 . 1 1 25 25 PRO HD3 H 1 3.283 0.030 . 2 . . . . 25 PRO HD3 . 10257 1 201 . 1 1 25 25 PRO HG2 H 1 1.943 0.030 . 1 . . . . 25 PRO HG2 . 10257 1 202 . 1 1 25 25 PRO HG3 H 1 1.943 0.030 . 1 . . . . 25 PRO HG3 . 10257 1 203 . 1 1 25 25 PRO C C 13 176.888 0.300 . 1 . . . . 25 PRO C . 10257 1 204 . 1 1 25 25 PRO CA C 13 63.902 0.300 . 1 . . . . 25 PRO CA . 10257 1 205 . 1 1 25 25 PRO CB C 13 32.124 0.300 . 1 . . . . 25 PRO CB . 10257 1 206 . 1 1 25 25 PRO CD C 13 50.594 0.300 . 1 . . . . 25 PRO CD . 10257 1 207 . 1 1 25 25 PRO CG C 13 27.338 0.300 . 1 . . . . 25 PRO CG . 10257 1 208 . 1 1 26 26 ASN H H 1 9.047 0.030 . 1 . . . . 26 ASN H . 10257 1 209 . 1 1 26 26 ASN HA H 1 4.788 0.030 . 1 . . . . 26 ASN HA . 10257 1 210 . 1 1 26 26 ASN HB2 H 1 2.837 0.030 . 2 . . . . 26 ASN HB2 . 10257 1 211 . 1 1 26 26 ASN HB3 H 1 2.768 0.030 . 2 . . . . 26 ASN HB3 . 10257 1 212 . 1 1 26 26 ASN HD21 H 1 6.923 0.030 . 2 . . . . 26 ASN HD21 . 10257 1 213 . 1 1 26 26 ASN HD22 H 1 7.492 0.030 . 2 . . . . 26 ASN HD22 . 10257 1 214 . 1 1 26 26 ASN C C 13 175.140 0.300 . 1 . . . . 26 ASN C . 10257 1 215 . 1 1 26 26 ASN CA C 13 53.185 0.300 . 1 . . . . 26 ASN CA . 10257 1 216 . 1 1 26 26 ASN CB C 13 38.696 0.300 . 1 . . . . 26 ASN CB . 10257 1 217 . 1 1 26 26 ASN N N 15 118.042 0.300 . 1 . . . . 26 ASN N . 10257 1 218 . 1 1 26 26 ASN ND2 N 15 112.374 0.300 . 1 . . . . 26 ASN ND2 . 10257 1 219 . 1 1 27 27 GLN H H 1 8.231 0.030 . 1 . . . . 27 GLN H . 10257 1 220 . 1 1 27 27 GLN HA H 1 4.226 0.030 . 1 . . . . 27 GLN HA . 10257 1 221 . 1 1 27 27 GLN HB2 H 1 2.042 0.030 . 2 . . . . 27 GLN HB2 . 10257 1 222 . 1 1 27 27 GLN HB3 H 1 1.969 0.030 . 2 . . . . 27 GLN HB3 . 10257 1 223 . 1 1 27 27 GLN HE21 H 1 7.302 0.030 . 2 . . . . 27 GLN HE21 . 10257 1 224 . 1 1 27 27 GLN HE22 H 1 6.938 0.030 . 2 . . . . 27 GLN HE22 . 10257 1 225 . 1 1 27 27 GLN HG2 H 1 2.236 0.030 . 2 . . . . 27 GLN HG2 . 10257 1 226 . 1 1 27 27 GLN HG3 H 1 2.040 0.030 . 2 . . . . 27 GLN HG3 . 10257 1 227 . 1 1 27 27 GLN C C 13 175.212 0.300 . 1 . . . . 27 GLN C . 10257 1 228 . 1 1 27 27 GLN CA C 13 57.149 0.300 . 1 . . . . 27 GLN CA . 10257 1 229 . 1 1 27 27 GLN CB C 13 29.741 0.300 . 1 . . . . 27 GLN CB . 10257 1 230 . 1 1 27 27 GLN CG C 13 34.105 0.300 . 1 . . . . 27 GLN CG . 10257 1 231 . 1 1 27 27 GLN N N 15 119.679 0.300 . 1 . . . . 27 GLN N . 10257 1 232 . 1 1 27 27 GLN NE2 N 15 112.183 0.300 . 1 . . . . 27 GLN NE2 . 10257 1 233 . 1 1 28 28 TYR H H 1 8.059 0.030 . 1 . . . . 28 TYR H . 10257 1 234 . 1 1 28 28 TYR HA H 1 5.109 0.030 . 1 . . . . 28 TYR HA . 10257 1 235 . 1 1 28 28 TYR HB2 H 1 2.762 0.030 . 1 . . . . 28 TYR HB2 . 10257 1 236 . 1 1 28 28 TYR HB3 H 1 2.762 0.030 . 1 . . . . 28 TYR HB3 . 10257 1 237 . 1 1 28 28 TYR HD1 H 1 6.851 0.030 . 1 . . . . 28 TYR HD1 . 10257 1 238 . 1 1 28 28 TYR HD2 H 1 6.851 0.030 . 1 . . . . 28 TYR HD2 . 10257 1 239 . 1 1 28 28 TYR HE1 H 1 6.659 0.030 . 1 . . . . 28 TYR HE1 . 10257 1 240 . 1 1 28 28 TYR HE2 H 1 6.659 0.030 . 1 . . . . 28 TYR HE2 . 10257 1 241 . 1 1 28 28 TYR C C 13 174.290 0.300 . 1 . . . . 28 TYR C . 10257 1 242 . 1 1 28 28 TYR CA C 13 56.779 0.300 . 1 . . . . 28 TYR CA . 10257 1 243 . 1 1 28 28 TYR CB C 13 41.333 0.300 . 1 . . . . 28 TYR CB . 10257 1 244 . 1 1 28 28 TYR CD1 C 13 133.098 0.300 . 1 . . . . 28 TYR CD1 . 10257 1 245 . 1 1 28 28 TYR CD2 C 13 133.098 0.300 . 1 . . . . 28 TYR CD2 . 10257 1 246 . 1 1 28 28 TYR CE1 C 13 118.159 0.300 . 1 . . . . 28 TYR CE1 . 10257 1 247 . 1 1 28 28 TYR CE2 C 13 118.159 0.300 . 1 . . . . 28 TYR CE2 . 10257 1 248 . 1 1 28 28 TYR N N 15 116.269 0.300 . 1 . . . . 28 TYR N . 10257 1 249 . 1 1 29 29 ALA H H 1 8.837 0.030 . 1 . . . . 29 ALA H . 10257 1 250 . 1 1 29 29 ALA HA H 1 5.054 0.030 . 1 . . . . 29 ALA HA . 10257 1 251 . 1 1 29 29 ALA HB1 H 1 1.225 0.030 . 1 . . . . 29 ALA HB . 10257 1 252 . 1 1 29 29 ALA HB2 H 1 1.225 0.030 . 1 . . . . 29 ALA HB . 10257 1 253 . 1 1 29 29 ALA HB3 H 1 1.225 0.030 . 1 . . . . 29 ALA HB . 10257 1 254 . 1 1 29 29 ALA C C 13 175.795 0.300 . 1 . . . . 29 ALA C . 10257 1 255 . 1 1 29 29 ALA CA C 13 50.612 0.300 . 1 . . . . 29 ALA CA . 10257 1 256 . 1 1 29 29 ALA CB C 13 23.046 0.300 . 1 . . . . 29 ALA CB . 10257 1 257 . 1 1 29 29 ALA N N 15 123.222 0.300 . 1 . . . . 29 ALA N . 10257 1 258 . 1 1 30 30 THR H H 1 9.217 0.030 . 1 . . . . 30 THR H . 10257 1 259 . 1 1 30 30 THR HA H 1 4.828 0.030 . 1 . . . . 30 THR HA . 10257 1 260 . 1 1 30 30 THR HB H 1 3.774 0.030 . 1 . . . . 30 THR HB . 10257 1 261 . 1 1 30 30 THR HG21 H 1 1.025 0.030 . 1 . . . . 30 THR HG2 . 10257 1 262 . 1 1 30 30 THR HG22 H 1 1.025 0.030 . 1 . . . . 30 THR HG2 . 10257 1 263 . 1 1 30 30 THR HG23 H 1 1.025 0.030 . 1 . . . . 30 THR HG2 . 10257 1 264 . 1 1 30 30 THR C C 13 173.659 0.300 . 1 . . . . 30 THR C . 10257 1 265 . 1 1 30 30 THR CA C 13 62.383 0.300 . 1 . . . . 30 THR CA . 10257 1 266 . 1 1 30 30 THR CB C 13 70.058 0.300 . 1 . . . . 30 THR CB . 10257 1 267 . 1 1 30 30 THR CG2 C 13 21.714 0.300 . 1 . . . . 30 THR CG2 . 10257 1 268 . 1 1 30 30 THR N N 15 119.265 0.300 . 1 . . . . 30 THR N . 10257 1 269 . 1 1 31 31 CYS H H 1 8.927 0.030 . 1 . . . . 31 CYS H . 10257 1 270 . 1 1 31 31 CYS HA H 1 3.606 0.030 . 1 . . . . 31 CYS HA . 10257 1 271 . 1 1 31 31 CYS HB2 H 1 2.321 0.030 . 2 . . . . 31 CYS HB2 . 10257 1 272 . 1 1 31 31 CYS HB3 H 1 3.098 0.030 . 2 . . . . 31 CYS HB3 . 10257 1 273 . 1 1 31 31 CYS C C 13 177.956 0.300 . 1 . . . . 31 CYS C . 10257 1 274 . 1 1 31 31 CYS CA C 13 59.743 0.300 . 1 . . . . 31 CYS CA . 10257 1 275 . 1 1 31 31 CYS CB C 13 29.971 0.300 . 1 . . . . 31 CYS CB . 10257 1 276 . 1 1 31 31 CYS N N 15 130.893 0.300 . 1 . . . . 31 CYS N . 10257 1 277 . 1 1 32 32 ARG H H 1 9.393 0.030 . 1 . . . . 32 ARG H . 10257 1 278 . 1 1 32 32 ARG HA H 1 4.043 0.030 . 1 . . . . 32 ARG HA . 10257 1 279 . 1 1 32 32 ARG HB2 H 1 1.424 0.030 . 2 . . . . 32 ARG HB2 . 10257 1 280 . 1 1 32 32 ARG HB3 H 1 1.687 0.030 . 2 . . . . 32 ARG HB3 . 10257 1 281 . 1 1 32 32 ARG HD2 H 1 2.951 0.030 . 2 . . . . 32 ARG HD2 . 10257 1 282 . 1 1 32 32 ARG HD3 H 1 2.888 0.030 . 2 . . . . 32 ARG HD3 . 10257 1 283 . 1 1 32 32 ARG HG2 H 1 1.202 0.030 . 2 . . . . 32 ARG HG2 . 10257 1 284 . 1 1 32 32 ARG HG3 H 1 1.327 0.030 . 2 . . . . 32 ARG HG3 . 10257 1 285 . 1 1 32 32 ARG C C 13 176.693 0.300 . 1 . . . . 32 ARG C . 10257 1 286 . 1 1 32 32 ARG CA C 13 58.471 0.300 . 1 . . . . 32 ARG CA . 10257 1 287 . 1 1 32 32 ARG CB C 13 30.553 0.300 . 1 . . . . 32 ARG CB . 10257 1 288 . 1 1 32 32 ARG CD C 13 43.334 0.300 . 1 . . . . 32 ARG CD . 10257 1 289 . 1 1 32 32 ARG CG C 13 28.100 0.300 . 1 . . . . 32 ARG CG . 10257 1 290 . 1 1 32 32 ARG N N 15 130.594 0.300 . 1 . . . . 32 ARG N . 10257 1 291 . 1 1 33 33 LEU H H 1 9.135 0.030 . 1 . . . . 33 LEU H . 10257 1 292 . 1 1 33 33 LEU HA H 1 4.243 0.030 . 1 . . . . 33 LEU HA . 10257 1 293 . 1 1 33 33 LEU HB2 H 1 0.954 0.030 . 2 . . . . 33 LEU HB2 . 10257 1 294 . 1 1 33 33 LEU HB3 H 1 0.856 0.030 . 2 . . . . 33 LEU HB3 . 10257 1 295 . 1 1 33 33 LEU HD11 H 1 0.272 0.030 . 1 . . . . 33 LEU HD1 . 10257 1 296 . 1 1 33 33 LEU HD12 H 1 0.272 0.030 . 1 . . . . 33 LEU HD1 . 10257 1 297 . 1 1 33 33 LEU HD13 H 1 0.272 0.030 . 1 . . . . 33 LEU HD1 . 10257 1 298 . 1 1 33 33 LEU HD21 H 1 0.711 0.030 . 1 . . . . 33 LEU HD2 . 10257 1 299 . 1 1 33 33 LEU HD22 H 1 0.711 0.030 . 1 . . . . 33 LEU HD2 . 10257 1 300 . 1 1 33 33 LEU HD23 H 1 0.711 0.030 . 1 . . . . 33 LEU HD2 . 10257 1 301 . 1 1 33 33 LEU HG H 1 1.375 0.030 . 1 . . . . 33 LEU HG . 10257 1 302 . 1 1 33 33 LEU C C 13 178.150 0.300 . 1 . . . . 33 LEU C . 10257 1 303 . 1 1 33 33 LEU CA C 13 56.709 0.300 . 1 . . . . 33 LEU CA . 10257 1 304 . 1 1 33 33 LEU CB C 13 41.387 0.300 . 1 . . . . 33 LEU CB . 10257 1 305 . 1 1 33 33 LEU CD1 C 13 25.032 0.300 . 2 . . . . 33 LEU CD1 . 10257 1 306 . 1 1 33 33 LEU CD2 C 13 22.013 0.300 . 2 . . . . 33 LEU CD2 . 10257 1 307 . 1 1 33 33 LEU CG C 13 26.861 0.300 . 1 . . . . 33 LEU CG . 10257 1 308 . 1 1 33 33 LEU N N 15 121.037 0.300 . 1 . . . . 33 LEU N . 10257 1 309 . 1 1 34 34 CYS H H 1 8.186 0.030 . 1 . . . . 34 CYS H . 10257 1 310 . 1 1 34 34 CYS HA H 1 5.200 0.030 . 1 . . . . 34 CYS HA . 10257 1 311 . 1 1 34 34 CYS HB2 H 1 3.045 0.030 . 2 . . . . 34 CYS HB2 . 10257 1 312 . 1 1 34 34 CYS HB3 H 1 3.418 0.030 . 2 . . . . 34 CYS HB3 . 10257 1 313 . 1 1 34 34 CYS C C 13 176.329 0.300 . 1 . . . . 34 CYS C . 10257 1 314 . 1 1 34 34 CYS CA C 13 58.365 0.300 . 1 . . . . 34 CYS CA . 10257 1 315 . 1 1 34 34 CYS CB C 13 32.799 0.300 . 1 . . . . 34 CYS CB . 10257 1 316 . 1 1 34 34 CYS N N 15 115.308 0.300 . 1 . . . . 34 CYS N . 10257 1 317 . 1 1 35 35 GLY H H 1 8.027 0.030 . 1 . . . . 35 GLY H . 10257 1 318 . 1 1 35 35 GLY HA2 H 1 3.808 0.030 . 2 . . . . 35 GLY HA2 . 10257 1 319 . 1 1 35 35 GLY HA3 H 1 4.196 0.030 . 2 . . . . 35 GLY HA3 . 10257 1 320 . 1 1 35 35 GLY C C 13 173.683 0.300 . 1 . . . . 35 GLY C . 10257 1 321 . 1 1 35 35 GLY CA C 13 46.313 0.300 . 1 . . . . 35 GLY CA . 10257 1 322 . 1 1 35 35 GLY N N 15 113.546 0.300 . 1 . . . . 35 GLY N . 10257 1 323 . 1 1 36 36 ARG H H 1 8.272 0.030 . 1 . . . . 36 ARG H . 10257 1 324 . 1 1 36 36 ARG HA H 1 4.273 0.030 . 1 . . . . 36 ARG HA . 10257 1 325 . 1 1 36 36 ARG HB2 H 1 1.732 0.030 . 2 . . . . 36 ARG HB2 . 10257 1 326 . 1 1 36 36 ARG HB3 H 1 1.611 0.030 . 2 . . . . 36 ARG HB3 . 10257 1 327 . 1 1 36 36 ARG HD2 H 1 3.253 0.030 . 1 . . . . 36 ARG HD2 . 10257 1 328 . 1 1 36 36 ARG HD3 H 1 3.253 0.030 . 1 . . . . 36 ARG HD3 . 10257 1 329 . 1 1 36 36 ARG HG2 H 1 1.835 0.030 . 2 . . . . 36 ARG HG2 . 10257 1 330 . 1 1 36 36 ARG HG3 H 1 1.627 0.030 . 2 . . . . 36 ARG HG3 . 10257 1 331 . 1 1 36 36 ARG C C 13 175.625 0.300 . 1 . . . . 36 ARG C . 10257 1 332 . 1 1 36 36 ARG CA C 13 56.774 0.300 . 1 . . . . 36 ARG CA . 10257 1 333 . 1 1 36 36 ARG CB C 13 31.112 0.300 . 1 . . . . 36 ARG CB . 10257 1 334 . 1 1 36 36 ARG CD C 13 43.446 0.300 . 1 . . . . 36 ARG CD . 10257 1 335 . 1 1 36 36 ARG CG C 13 28.386 0.300 . 1 . . . . 36 ARG CG . 10257 1 336 . 1 1 36 36 ARG N N 15 121.138 0.300 . 1 . . . . 36 ARG N . 10257 1 337 . 1 1 37 37 GLN H H 1 8.509 0.030 . 1 . . . . 37 GLN H . 10257 1 338 . 1 1 37 37 GLN HA H 1 4.888 0.030 . 1 . . . . 37 GLN HA . 10257 1 339 . 1 1 37 37 GLN HB2 H 1 1.641 0.030 . 2 . . . . 37 GLN HB2 . 10257 1 340 . 1 1 37 37 GLN HB3 H 1 1.852 0.030 . 2 . . . . 37 GLN HB3 . 10257 1 341 . 1 1 37 37 GLN HE21 H 1 7.172 0.030 . 2 . . . . 37 GLN HE21 . 10257 1 342 . 1 1 37 37 GLN HE22 H 1 6.500 0.030 . 2 . . . . 37 GLN HE22 . 10257 1 343 . 1 1 37 37 GLN HG2 H 1 2.306 0.030 . 2 . . . . 37 GLN HG2 . 10257 1 344 . 1 1 37 37 GLN HG3 H 1 2.207 0.030 . 2 . . . . 37 GLN HG3 . 10257 1 345 . 1 1 37 37 GLN C C 13 176.184 0.300 . 1 . . . . 37 GLN C . 10257 1 346 . 1 1 37 37 GLN CA C 13 55.475 0.300 . 1 . . . . 37 GLN CA . 10257 1 347 . 1 1 37 37 GLN CB C 13 29.426 0.300 . 1 . . . . 37 GLN CB . 10257 1 348 . 1 1 37 37 GLN CG C 13 34.210 0.300 . 1 . . . . 37 GLN CG . 10257 1 349 . 1 1 37 37 GLN N N 15 120.322 0.300 . 1 . . . . 37 GLN N . 10257 1 350 . 1 1 37 37 GLN NE2 N 15 111.000 0.300 . 1 . . . . 37 GLN NE2 . 10257 1 351 . 1 1 38 38 VAL H H 1 9.281 0.030 . 1 . . . . 38 VAL H . 10257 1 352 . 1 1 38 38 VAL HA H 1 4.216 0.030 . 1 . . . . 38 VAL HA . 10257 1 353 . 1 1 38 38 VAL HB H 1 1.723 0.030 . 1 . . . . 38 VAL HB . 10257 1 354 . 1 1 38 38 VAL HG11 H 1 0.686 0.030 . 1 . . . . 38 VAL HG1 . 10257 1 355 . 1 1 38 38 VAL HG12 H 1 0.686 0.030 . 1 . . . . 38 VAL HG1 . 10257 1 356 . 1 1 38 38 VAL HG13 H 1 0.686 0.030 . 1 . . . . 38 VAL HG1 . 10257 1 357 . 1 1 38 38 VAL HG21 H 1 0.524 0.030 . 1 . . . . 38 VAL HG2 . 10257 1 358 . 1 1 38 38 VAL HG22 H 1 0.524 0.030 . 1 . . . . 38 VAL HG2 . 10257 1 359 . 1 1 38 38 VAL HG23 H 1 0.524 0.030 . 1 . . . . 38 VAL HG2 . 10257 1 360 . 1 1 38 38 VAL C C 13 174.848 0.300 . 1 . . . . 38 VAL C . 10257 1 361 . 1 1 38 38 VAL CA C 13 61.243 0.300 . 1 . . . . 38 VAL CA . 10257 1 362 . 1 1 38 38 VAL CB C 13 34.146 0.300 . 1 . . . . 38 VAL CB . 10257 1 363 . 1 1 38 38 VAL CG1 C 13 21.313 0.300 . 2 . . . . 38 VAL CG1 . 10257 1 364 . 1 1 38 38 VAL CG2 C 13 20.682 0.300 . 2 . . . . 38 VAL CG2 . 10257 1 365 . 1 1 38 38 VAL N N 15 125.546 0.300 . 1 . . . . 38 VAL N . 10257 1 366 . 1 1 39 39 SER H H 1 8.590 0.030 . 1 . . . . 39 SER H . 10257 1 367 . 1 1 39 39 SER HA H 1 4.348 0.030 . 1 . . . . 39 SER HA . 10257 1 368 . 1 1 39 39 SER HB2 H 1 3.789 0.030 . 2 . . . . 39 SER HB2 . 10257 1 369 . 1 1 39 39 SER HB3 H 1 3.737 0.030 . 2 . . . . 39 SER HB3 . 10257 1 370 . 1 1 39 39 SER C C 13 174.800 0.300 . 1 . . . . 39 SER C . 10257 1 371 . 1 1 39 39 SER CA C 13 57.731 0.300 . 1 . . . . 39 SER CA . 10257 1 372 . 1 1 39 39 SER CB C 13 64.121 0.300 . 1 . . . . 39 SER CB . 10257 1 373 . 1 1 39 39 SER N N 15 120.236 0.300 . 1 . . . . 39 SER N . 10257 1 374 . 1 1 40 40 ARG H H 1 8.684 0.030 . 1 . . . . 40 ARG H . 10257 1 375 . 1 1 40 40 ARG HA H 1 4.189 0.030 . 1 . . . . 40 ARG HA . 10257 1 376 . 1 1 40 40 ARG HB2 H 1 1.703 0.030 . 2 . . . . 40 ARG HB2 . 10257 1 377 . 1 1 40 40 ARG HB3 H 1 1.906 0.030 . 2 . . . . 40 ARG HB3 . 10257 1 378 . 1 1 40 40 ARG HD2 H 1 3.149 0.030 . 1 . . . . 40 ARG HD2 . 10257 1 379 . 1 1 40 40 ARG HD3 H 1 3.149 0.030 . 1 . . . . 40 ARG HD3 . 10257 1 380 . 1 1 40 40 ARG HG2 H 1 1.437 0.030 . 2 . . . . 40 ARG HG2 . 10257 1 381 . 1 1 40 40 ARG HG3 H 1 1.636 0.030 . 2 . . . . 40 ARG HG3 . 10257 1 382 . 1 1 40 40 ARG C C 13 176.062 0.300 . 1 . . . . 40 ARG C . 10257 1 383 . 1 1 40 40 ARG CA C 13 56.674 0.300 . 1 . . . . 40 ARG CA . 10257 1 384 . 1 1 40 40 ARG CB C 13 31.302 0.300 . 1 . . . . 40 ARG CB . 10257 1 385 . 1 1 40 40 ARG CD C 13 43.923 0.300 . 1 . . . . 40 ARG CD . 10257 1 386 . 1 1 40 40 ARG CG C 13 27.288 0.300 . 1 . . . . 40 ARG CG . 10257 1 387 . 1 1 40 40 ARG N N 15 123.390 0.300 . 1 . . . . 40 ARG N . 10257 1 388 . 1 1 41 41 GLY H H 1 7.970 0.030 . 1 . . . . 41 GLY H . 10257 1 389 . 1 1 41 41 GLY HA2 H 1 3.920 0.030 . 2 . . . . 41 GLY HA2 . 10257 1 390 . 1 1 41 41 GLY HA3 H 1 4.216 0.030 . 2 . . . . 41 GLY HA3 . 10257 1 391 . 1 1 41 41 GLY C C 13 171.037 0.300 . 1 . . . . 41 GLY C . 10257 1 392 . 1 1 41 41 GLY CA C 13 44.269 0.300 . 1 . . . . 41 GLY CA . 10257 1 393 . 1 1 41 41 GLY N N 15 107.997 0.300 . 1 . . . . 41 GLY N . 10257 1 394 . 1 1 42 42 PRO HA H 1 4.462 0.030 . 1 . . . . 42 PRO HA . 10257 1 395 . 1 1 42 42 PRO HB2 H 1 2.183 0.030 . 2 . . . . 42 PRO HB2 . 10257 1 396 . 1 1 42 42 PRO HB3 H 1 1.957 0.030 . 2 . . . . 42 PRO HB3 . 10257 1 397 . 1 1 42 42 PRO HD2 H 1 3.618 0.030 . 2 . . . . 42 PRO HD2 . 10257 1 398 . 1 1 42 42 PRO HD3 H 1 3.553 0.030 . 2 . . . . 42 PRO HD3 . 10257 1 399 . 1 1 42 42 PRO HG2 H 1 2.012 0.030 . 1 . . . . 42 PRO HG2 . 10257 1 400 . 1 1 42 42 PRO HG3 H 1 2.012 0.030 . 1 . . . . 42 PRO HG3 . 10257 1 401 . 1 1 42 42 PRO C C 13 176.451 0.300 . 1 . . . . 42 PRO C . 10257 1 402 . 1 1 42 42 PRO CA C 13 63.179 0.300 . 1 . . . . 42 PRO CA . 10257 1 403 . 1 1 42 42 PRO CB C 13 32.144 0.300 . 1 . . . . 42 PRO CB . 10257 1 404 . 1 1 42 42 PRO CD C 13 49.585 0.300 . 1 . . . . 42 PRO CD . 10257 1 405 . 1 1 42 42 PRO CG C 13 27.085 0.300 . 1 . . . . 42 PRO CG . 10257 1 406 . 1 1 43 43 GLY H H 1 8.388 0.030 . 1 . . . . 43 GLY H . 10257 1 407 . 1 1 43 43 GLY HA2 H 1 4.065 0.030 . 2 . . . . 43 GLY HA2 . 10257 1 408 . 1 1 43 43 GLY HA3 H 1 3.808 0.030 . 2 . . . . 43 GLY HA3 . 10257 1 409 . 1 1 43 43 GLY CA C 13 45.278 0.300 . 1 . . . . 43 GLY CA . 10257 1 410 . 1 1 43 43 GLY N N 15 109.409 0.300 . 1 . . . . 43 GLY N . 10257 1 411 . 1 1 44 44 VAL H H 1 7.913 0.030 . 1 . . . . 44 VAL H . 10257 1 412 . 1 1 44 44 VAL HA H 1 4.107 0.030 . 1 . . . . 44 VAL HA . 10257 1 413 . 1 1 44 44 VAL HB H 1 2.031 0.030 . 1 . . . . 44 VAL HB . 10257 1 414 . 1 1 44 44 VAL HG11 H 1 0.875 0.030 . 1 . . . . 44 VAL HG1 . 10257 1 415 . 1 1 44 44 VAL HG12 H 1 0.875 0.030 . 1 . . . . 44 VAL HG1 . 10257 1 416 . 1 1 44 44 VAL HG13 H 1 0.875 0.030 . 1 . . . . 44 VAL HG1 . 10257 1 417 . 1 1 44 44 VAL HG21 H 1 0.834 0.030 . 1 . . . . 44 VAL HG2 . 10257 1 418 . 1 1 44 44 VAL HG22 H 1 0.834 0.030 . 1 . . . . 44 VAL HG2 . 10257 1 419 . 1 1 44 44 VAL HG23 H 1 0.834 0.030 . 1 . . . . 44 VAL HG2 . 10257 1 420 . 1 1 44 44 VAL CA C 13 62.352 0.300 . 1 . . . . 44 VAL CA . 10257 1 421 . 1 1 44 44 VAL CB C 13 32.777 0.300 . 1 . . . . 44 VAL CB . 10257 1 422 . 1 1 44 44 VAL CG1 C 13 20.925 0.300 . 2 . . . . 44 VAL CG1 . 10257 1 423 . 1 1 44 44 VAL CG2 C 13 20.111 0.300 . 2 . . . . 44 VAL CG2 . 10257 1 424 . 1 1 44 44 VAL N N 15 117.689 0.300 . 1 . . . . 44 VAL N . 10257 1 425 . 1 1 45 45 ASN HA H 1 4.713 0.030 . 1 . . . . 45 ASN HA . 10257 1 426 . 1 1 45 45 ASN HB2 H 1 2.843 0.030 . 2 . . . . 45 ASN HB2 . 10257 1 427 . 1 1 45 45 ASN HB3 H 1 2.770 0.030 . 2 . . . . 45 ASN HB3 . 10257 1 428 . 1 1 45 45 ASN HD21 H 1 7.599 0.030 . 2 . . . . 45 ASN HD21 . 10257 1 429 . 1 1 45 45 ASN HD22 H 1 6.925 0.030 . 2 . . . . 45 ASN HD22 . 10257 1 430 . 1 1 45 45 ASN CA C 13 53.201 0.300 . 1 . . . . 45 ASN CA . 10257 1 431 . 1 1 45 45 ASN CB C 13 38.671 0.300 . 1 . . . . 45 ASN CB . 10257 1 432 . 1 1 45 45 ASN ND2 N 15 113.273 0.300 . 1 . . . . 45 ASN ND2 . 10257 1 433 . 1 1 46 46 VAL H H 1 7.994 0.030 . 1 . . . . 46 VAL H . 10257 1 434 . 1 1 46 46 VAL HA H 1 4.148 0.030 . 1 . . . . 46 VAL HA . 10257 1 435 . 1 1 46 46 VAL HB H 1 2.145 0.030 . 1 . . . . 46 VAL HB . 10257 1 436 . 1 1 46 46 VAL HG11 H 1 0.879 0.030 . 1 . . . . 46 VAL HG1 . 10257 1 437 . 1 1 46 46 VAL HG12 H 1 0.879 0.030 . 1 . . . . 46 VAL HG1 . 10257 1 438 . 1 1 46 46 VAL HG13 H 1 0.879 0.030 . 1 . . . . 46 VAL HG1 . 10257 1 439 . 1 1 46 46 VAL C C 13 177.834 0.300 . 1 . . . . 46 VAL C . 10257 1 440 . 1 1 46 46 VAL CA C 13 62.726 0.300 . 1 . . . . 46 VAL CA . 10257 1 441 . 1 1 46 46 VAL CB C 13 32.476 0.300 . 1 . . . . 46 VAL CB . 10257 1 442 . 1 1 46 46 VAL CG1 C 13 20.491 0.300 . 2 . . . . 46 VAL CG1 . 10257 1 443 . 1 1 46 46 VAL N N 15 118.432 0.300 . 1 . . . . 46 VAL N . 10257 1 444 . 1 1 47 47 GLY HA2 H 1 3.702 0.030 . 2 . . . . 47 GLY HA2 . 10257 1 445 . 1 1 47 47 GLY HA3 H 1 4.104 0.030 . 2 . . . . 47 GLY HA3 . 10257 1 446 . 1 1 47 47 GLY C C 13 173.950 0.300 . 1 . . . . 47 GLY C . 10257 1 447 . 1 1 47 47 GLY CA C 13 45.202 0.300 . 1 . . . . 47 GLY CA . 10257 1 448 . 1 1 48 48 THR H H 1 8.238 0.030 . 1 . . . . 48 THR H . 10257 1 449 . 1 1 48 48 THR HA H 1 4.066 0.030 . 1 . . . . 48 THR HA . 10257 1 450 . 1 1 48 48 THR HB H 1 4.237 0.030 . 1 . . . . 48 THR HB . 10257 1 451 . 1 1 48 48 THR HG21 H 1 1.328 0.030 . 1 . . . . 48 THR HG2 . 10257 1 452 . 1 1 48 48 THR HG22 H 1 1.328 0.030 . 1 . . . . 48 THR HG2 . 10257 1 453 . 1 1 48 48 THR HG23 H 1 1.328 0.030 . 1 . . . . 48 THR HG2 . 10257 1 454 . 1 1 48 48 THR C C 13 175.919 0.300 . 1 . . . . 48 THR C . 10257 1 455 . 1 1 48 48 THR CA C 13 67.178 0.300 . 1 . . . . 48 THR CA . 10257 1 456 . 1 1 48 48 THR CB C 13 68.681 0.300 . 1 . . . . 48 THR CB . 10257 1 457 . 1 1 48 48 THR CG2 C 13 22.017 0.300 . 1 . . . . 48 THR CG2 . 10257 1 458 . 1 1 48 48 THR N N 15 118.267 0.300 . 1 . . . . 48 THR N . 10257 1 459 . 1 1 49 49 THR HA H 1 3.981 0.030 . 1 . . . . 49 THR HA . 10257 1 460 . 1 1 49 49 THR HB H 1 4.275 0.030 . 1 . . . . 49 THR HB . 10257 1 461 . 1 1 49 49 THR HG21 H 1 1.136 0.030 . 1 . . . . 49 THR HG2 . 10257 1 462 . 1 1 49 49 THR HG22 H 1 1.136 0.030 . 1 . . . . 49 THR HG2 . 10257 1 463 . 1 1 49 49 THR HG23 H 1 1.136 0.030 . 1 . . . . 49 THR HG2 . 10257 1 464 . 1 1 49 49 THR CA C 13 62.689 0.300 . 1 . . . . 49 THR CA . 10257 1 465 . 1 1 49 49 THR CB C 13 69.410 0.300 . 1 . . . . 49 THR CB . 10257 1 466 . 1 1 49 49 THR CG2 C 13 22.329 0.300 . 1 . . . . 49 THR CG2 . 10257 1 467 . 1 1 50 50 ALA HA H 1 4.091 0.030 . 1 . . . . 50 ALA HA . 10257 1 468 . 1 1 50 50 ALA HB1 H 1 1.332 0.030 . 1 . . . . 50 ALA HB . 10257 1 469 . 1 1 50 50 ALA HB2 H 1 1.332 0.030 . 1 . . . . 50 ALA HB . 10257 1 470 . 1 1 50 50 ALA HB3 H 1 1.332 0.030 . 1 . . . . 50 ALA HB . 10257 1 471 . 1 1 50 50 ALA C C 13 180.456 0.300 . 1 . . . . 50 ALA C . 10257 1 472 . 1 1 50 50 ALA CA C 13 55.053 0.300 . 1 . . . . 50 ALA CA . 10257 1 473 . 1 1 50 50 ALA CB C 13 18.859 0.300 . 1 . . . . 50 ALA CB . 10257 1 474 . 1 1 51 51 LEU H H 1 7.042 0.030 . 1 . . . . 51 LEU H . 10257 1 475 . 1 1 51 51 LEU HA H 1 3.446 0.030 . 1 . . . . 51 LEU HA . 10257 1 476 . 1 1 51 51 LEU HB2 H 1 1.175 0.030 . 2 . . . . 51 LEU HB2 . 10257 1 477 . 1 1 51 51 LEU HB3 H 1 0.580 0.030 . 2 . . . . 51 LEU HB3 . 10257 1 478 . 1 1 51 51 LEU HD11 H 1 -0.642 0.030 . 1 . . . . 51 LEU HD1 . 10257 1 479 . 1 1 51 51 LEU HD12 H 1 -0.642 0.030 . 1 . . . . 51 LEU HD1 . 10257 1 480 . 1 1 51 51 LEU HD13 H 1 -0.642 0.030 . 1 . . . . 51 LEU HD1 . 10257 1 481 . 1 1 51 51 LEU HD21 H 1 -0.840 0.030 . 1 . . . . 51 LEU HD2 . 10257 1 482 . 1 1 51 51 LEU HD22 H 1 -0.840 0.030 . 1 . . . . 51 LEU HD2 . 10257 1 483 . 1 1 51 51 LEU HD23 H 1 -0.840 0.030 . 1 . . . . 51 LEU HD2 . 10257 1 484 . 1 1 51 51 LEU HG H 1 0.752 0.030 . 1 . . . . 51 LEU HG . 10257 1 485 . 1 1 51 51 LEU C C 13 179.170 0.300 . 1 . . . . 51 LEU C . 10257 1 486 . 1 1 51 51 LEU CA C 13 57.395 0.300 . 1 . . . . 51 LEU CA . 10257 1 487 . 1 1 51 51 LEU CB C 13 39.050 0.300 . 1 . . . . 51 LEU CB . 10257 1 488 . 1 1 51 51 LEU CD1 C 13 23.142 0.300 . 2 . . . . 51 LEU CD1 . 10257 1 489 . 1 1 51 51 LEU CD2 C 13 19.891 0.300 . 2 . . . . 51 LEU CD2 . 10257 1 490 . 1 1 51 51 LEU CG C 13 25.185 0.300 . 1 . . . . 51 LEU CG . 10257 1 491 . 1 1 51 51 LEU N N 15 117.051 0.300 . 1 . . . . 51 LEU N . 10257 1 492 . 1 1 52 52 TRP H H 1 7.992 0.030 . 1 . . . . 52 TRP H . 10257 1 493 . 1 1 52 52 TRP HA H 1 4.412 0.030 . 1 . . . . 52 TRP HA . 10257 1 494 . 1 1 52 52 TRP HB2 H 1 3.284 0.030 . 2 . . . . 52 TRP HB2 . 10257 1 495 . 1 1 52 52 TRP HB3 H 1 3.204 0.030 . 2 . . . . 52 TRP HB3 . 10257 1 496 . 1 1 52 52 TRP HD1 H 1 7.172 0.030 . 1 . . . . 52 TRP HD1 . 10257 1 497 . 1 1 52 52 TRP HE1 H 1 10.333 0.030 . 1 . . . . 52 TRP HE1 . 10257 1 498 . 1 1 52 52 TRP HE3 H 1 7.455 0.030 . 1 . . . . 52 TRP HE3 . 10257 1 499 . 1 1 52 52 TRP HH2 H 1 7.025 0.030 . 1 . . . . 52 TRP HH2 . 10257 1 500 . 1 1 52 52 TRP HZ2 H 1 7.427 0.030 . 1 . . . . 52 TRP HZ2 . 10257 1 501 . 1 1 52 52 TRP HZ3 H 1 6.956 0.030 . 1 . . . . 52 TRP HZ3 . 10257 1 502 . 1 1 52 52 TRP C C 13 178.636 0.300 . 1 . . . . 52 TRP C . 10257 1 503 . 1 1 52 52 TRP CA C 13 60.762 0.300 . 1 . . . . 52 TRP CA . 10257 1 504 . 1 1 52 52 TRP CB C 13 29.830 0.300 . 1 . . . . 52 TRP CB . 10257 1 505 . 1 1 52 52 TRP CD1 C 13 127.781 0.300 . 1 . . . . 52 TRP CD1 . 10257 1 506 . 1 1 52 52 TRP CE3 C 13 119.964 0.300 . 1 . . . . 52 TRP CE3 . 10257 1 507 . 1 1 52 52 TRP CH2 C 13 124.278 0.300 . 1 . . . . 52 TRP CH2 . 10257 1 508 . 1 1 52 52 TRP CZ2 C 13 114.747 0.300 . 1 . . . . 52 TRP CZ2 . 10257 1 509 . 1 1 52 52 TRP CZ3 C 13 122.177 0.300 . 1 . . . . 52 TRP CZ3 . 10257 1 510 . 1 1 52 52 TRP N N 15 118.438 0.300 . 1 . . . . 52 TRP N . 10257 1 511 . 1 1 52 52 TRP NE1 N 15 128.590 0.300 . 1 . . . . 52 TRP NE1 . 10257 1 512 . 1 1 53 53 LYS H H 1 8.239 0.030 . 1 . . . . 53 LYS H . 10257 1 513 . 1 1 53 53 LYS HA H 1 4.077 0.030 . 1 . . . . 53 LYS HA . 10257 1 514 . 1 1 53 53 LYS HB2 H 1 1.950 0.030 . 1 . . . . 53 LYS HB2 . 10257 1 515 . 1 1 53 53 LYS HB3 H 1 1.950 0.030 . 1 . . . . 53 LYS HB3 . 10257 1 516 . 1 1 53 53 LYS HD2 H 1 1.705 0.030 . 1 . . . . 53 LYS HD2 . 10257 1 517 . 1 1 53 53 LYS HD3 H 1 1.705 0.030 . 1 . . . . 53 LYS HD3 . 10257 1 518 . 1 1 53 53 LYS HE2 H 1 2.973 0.030 . 1 . . . . 53 LYS HE2 . 10257 1 519 . 1 1 53 53 LYS HE3 H 1 2.973 0.030 . 1 . . . . 53 LYS HE3 . 10257 1 520 . 1 1 53 53 LYS HG2 H 1 1.626 0.030 . 2 . . . . 53 LYS HG2 . 10257 1 521 . 1 1 53 53 LYS HG3 H 1 1.478 0.030 . 2 . . . . 53 LYS HG3 . 10257 1 522 . 1 1 53 53 LYS C C 13 179.777 0.300 . 1 . . . . 53 LYS C . 10257 1 523 . 1 1 53 53 LYS CA C 13 59.864 0.300 . 1 . . . . 53 LYS CA . 10257 1 524 . 1 1 53 53 LYS CB C 13 32.077 0.300 . 1 . . . . 53 LYS CB . 10257 1 525 . 1 1 53 53 LYS CD C 13 29.339 0.300 . 1 . . . . 53 LYS CD . 10257 1 526 . 1 1 53 53 LYS CE C 13 42.152 0.300 . 1 . . . . 53 LYS CE . 10257 1 527 . 1 1 53 53 LYS CG C 13 25.418 0.300 . 1 . . . . 53 LYS CG . 10257 1 528 . 1 1 53 53 LYS N N 15 118.342 0.300 . 1 . . . . 53 LYS N . 10257 1 529 . 1 1 54 54 HIS H H 1 7.592 0.030 . 1 . . . . 54 HIS H . 10257 1 530 . 1 1 54 54 HIS HA H 1 4.351 0.030 . 1 . . . . 54 HIS HA . 10257 1 531 . 1 1 54 54 HIS HB2 H 1 3.365 0.030 . 2 . . . . 54 HIS HB2 . 10257 1 532 . 1 1 54 54 HIS HB3 H 1 3.643 0.030 . 2 . . . . 54 HIS HB3 . 10257 1 533 . 1 1 54 54 HIS HD2 H 1 7.173 0.030 . 1 . . . . 54 HIS HD2 . 10257 1 534 . 1 1 54 54 HIS HE1 H 1 7.935 0.030 . 1 . . . . 54 HIS HE1 . 10257 1 535 . 1 1 54 54 HIS C C 13 176.499 0.300 . 1 . . . . 54 HIS C . 10257 1 536 . 1 1 54 54 HIS CA C 13 60.409 0.300 . 1 . . . . 54 HIS CA . 10257 1 537 . 1 1 54 54 HIS CB C 13 28.701 0.300 . 1 . . . . 54 HIS CB . 10257 1 538 . 1 1 54 54 HIS CD2 C 13 126.748 0.300 . 1 . . . . 54 HIS CD2 . 10257 1 539 . 1 1 54 54 HIS CE1 C 13 140.399 0.300 . 1 . . . . 54 HIS CE1 . 10257 1 540 . 1 1 54 54 HIS N N 15 117.948 0.300 . 1 . . . . 54 HIS N . 10257 1 541 . 1 1 55 55 LEU H H 1 8.223 0.030 . 1 . . . . 55 LEU H . 10257 1 542 . 1 1 55 55 LEU HA H 1 3.829 0.030 . 1 . . . . 55 LEU HA . 10257 1 543 . 1 1 55 55 LEU HB2 H 1 1.294 0.030 . 2 . . . . 55 LEU HB2 . 10257 1 544 . 1 1 55 55 LEU HB3 H 1 2.001 0.030 . 2 . . . . 55 LEU HB3 . 10257 1 545 . 1 1 55 55 LEU HD11 H 1 0.365 0.030 . 1 . . . . 55 LEU HD1 . 10257 1 546 . 1 1 55 55 LEU HD12 H 1 0.365 0.030 . 1 . . . . 55 LEU HD1 . 10257 1 547 . 1 1 55 55 LEU HD13 H 1 0.365 0.030 . 1 . . . . 55 LEU HD1 . 10257 1 548 . 1 1 55 55 LEU HD21 H 1 0.512 0.030 . 1 . . . . 55 LEU HD2 . 10257 1 549 . 1 1 55 55 LEU HD22 H 1 0.512 0.030 . 1 . . . . 55 LEU HD2 . 10257 1 550 . 1 1 55 55 LEU HD23 H 1 0.512 0.030 . 1 . . . . 55 LEU HD2 . 10257 1 551 . 1 1 55 55 LEU HG H 1 2.056 0.030 . 1 . . . . 55 LEU HG . 10257 1 552 . 1 1 55 55 LEU C C 13 178.587 0.300 . 1 . . . . 55 LEU C . 10257 1 553 . 1 1 55 55 LEU CA C 13 58.492 0.300 . 1 . . . . 55 LEU CA . 10257 1 554 . 1 1 55 55 LEU CB C 13 42.293 0.300 . 1 . . . . 55 LEU CB . 10257 1 555 . 1 1 55 55 LEU CD1 C 13 25.611 0.300 . 2 . . . . 55 LEU CD1 . 10257 1 556 . 1 1 55 55 LEU CD2 C 13 21.619 0.300 . 2 . . . . 55 LEU CD2 . 10257 1 557 . 1 1 55 55 LEU CG C 13 26.643 0.300 . 1 . . . . 55 LEU CG . 10257 1 558 . 1 1 55 55 LEU N N 15 118.224 0.300 . 1 . . . . 55 LEU N . 10257 1 559 . 1 1 56 56 LYS H H 1 8.795 0.030 . 1 . . . . 56 LYS H . 10257 1 560 . 1 1 56 56 LYS HA H 1 3.823 0.030 . 1 . . . . 56 LYS HA . 10257 1 561 . 1 1 56 56 LYS HB2 H 1 1.830 0.030 . 1 . . . . 56 LYS HB2 . 10257 1 562 . 1 1 56 56 LYS HB3 H 1 1.830 0.030 . 1 . . . . 56 LYS HB3 . 10257 1 563 . 1 1 56 56 LYS HD2 H 1 1.644 0.030 . 1 . . . . 56 LYS HD2 . 10257 1 564 . 1 1 56 56 LYS HD3 H 1 1.644 0.030 . 1 . . . . 56 LYS HD3 . 10257 1 565 . 1 1 56 56 LYS HE2 H 1 2.861 0.030 . 1 . . . . 56 LYS HE2 . 10257 1 566 . 1 1 56 56 LYS HE3 H 1 2.861 0.030 . 1 . . . . 56 LYS HE3 . 10257 1 567 . 1 1 56 56 LYS HG2 H 1 1.406 0.030 . 2 . . . . 56 LYS HG2 . 10257 1 568 . 1 1 56 56 LYS HG3 H 1 1.679 0.030 . 2 . . . . 56 LYS HG3 . 10257 1 569 . 1 1 56 56 LYS C C 13 177.664 0.300 . 1 . . . . 56 LYS C . 10257 1 570 . 1 1 56 56 LYS CA C 13 58.999 0.300 . 1 . . . . 56 LYS CA . 10257 1 571 . 1 1 56 56 LYS CB C 13 32.395 0.300 . 1 . . . . 56 LYS CB . 10257 1 572 . 1 1 56 56 LYS CD C 13 29.248 0.300 . 1 . . . . 56 LYS CD . 10257 1 573 . 1 1 56 56 LYS CE C 13 42.191 0.300 . 1 . . . . 56 LYS CE . 10257 1 574 . 1 1 56 56 LYS CG C 13 26.390 0.300 . 1 . . . . 56 LYS CG . 10257 1 575 . 1 1 56 56 LYS N N 15 115.460 0.300 . 1 . . . . 56 LYS N . 10257 1 576 . 1 1 57 57 SER H H 1 7.600 0.030 . 1 . . . . 57 SER H . 10257 1 577 . 1 1 57 57 SER HA H 1 4.353 0.030 . 1 . . . . 57 SER HA . 10257 1 578 . 1 1 57 57 SER HB2 H 1 3.912 0.030 . 1 . . . . 57 SER HB2 . 10257 1 579 . 1 1 57 57 SER HB3 H 1 3.912 0.030 . 1 . . . . 57 SER HB3 . 10257 1 580 . 1 1 57 57 SER C C 13 176.451 0.300 . 1 . . . . 57 SER C . 10257 1 581 . 1 1 57 57 SER CA C 13 60.480 0.300 . 1 . . . . 57 SER CA . 10257 1 582 . 1 1 57 57 SER CB C 13 63.879 0.300 . 1 . . . . 57 SER CB . 10257 1 583 . 1 1 57 57 SER N N 15 110.773 0.300 . 1 . . . . 57 SER N . 10257 1 584 . 1 1 58 58 MET H H 1 7.685 0.030 . 1 . . . . 58 MET H . 10257 1 585 . 1 1 58 58 MET HA H 1 4.555 0.030 . 1 . . . . 58 MET HA . 10257 1 586 . 1 1 58 58 MET HB2 H 1 2.272 0.030 . 2 . . . . 58 MET HB2 . 10257 1 587 . 1 1 58 58 MET HB3 H 1 2.246 0.030 . 2 . . . . 58 MET HB3 . 10257 1 588 . 1 1 58 58 MET HE1 H 1 2.041 0.030 . 1 . . . . 58 MET HE . 10257 1 589 . 1 1 58 58 MET HE2 H 1 2.041 0.030 . 1 . . . . 58 MET HE . 10257 1 590 . 1 1 58 58 MET HE3 H 1 2.041 0.030 . 1 . . . . 58 MET HE . 10257 1 591 . 1 1 58 58 MET HG2 H 1 1.209 0.030 . 2 . . . . 58 MET HG2 . 10257 1 592 . 1 1 58 58 MET HG3 H 1 0.846 0.030 . 2 . . . . 58 MET HG3 . 10257 1 593 . 1 1 58 58 MET C C 13 176.645 0.300 . 1 . . . . 58 MET C . 10257 1 594 . 1 1 58 58 MET CA C 13 55.158 0.300 . 1 . . . . 58 MET CA . 10257 1 595 . 1 1 58 58 MET CB C 13 32.427 0.300 . 1 . . . . 58 MET CB . 10257 1 596 . 1 1 58 58 MET CE C 13 16.830 0.300 . 1 . . . . 58 MET CE . 10257 1 597 . 1 1 58 58 MET CG C 13 32.415 0.300 . 1 . . . . 58 MET CG . 10257 1 598 . 1 1 58 58 MET N N 15 115.874 0.300 . 1 . . . . 58 MET N . 10257 1 599 . 1 1 59 59 HIS H H 1 7.685 0.030 . 1 . . . . 59 HIS H . 10257 1 600 . 1 1 59 59 HIS HA H 1 5.357 0.030 . 1 . . . . 59 HIS HA . 10257 1 601 . 1 1 59 59 HIS HB2 H 1 2.934 0.030 . 2 . . . . 59 HIS HB2 . 10257 1 602 . 1 1 59 59 HIS HB3 H 1 3.180 0.030 . 2 . . . . 59 HIS HB3 . 10257 1 603 . 1 1 59 59 HIS HD2 H 1 6.362 0.030 . 1 . . . . 59 HIS HD2 . 10257 1 604 . 1 1 59 59 HIS HE1 H 1 7.892 0.030 . 1 . . . . 59 HIS HE1 . 10257 1 605 . 1 1 59 59 HIS C C 13 175.140 0.300 . 1 . . . . 59 HIS C . 10257 1 606 . 1 1 59 59 HIS CA C 13 53.114 0.300 . 1 . . . . 59 HIS CA . 10257 1 607 . 1 1 59 59 HIS CB C 13 29.080 0.300 . 1 . . . . 59 HIS CB . 10257 1 608 . 1 1 59 59 HIS CD2 C 13 127.466 0.300 . 1 . . . . 59 HIS CD2 . 10257 1 609 . 1 1 59 59 HIS CE1 C 13 139.810 0.300 . 1 . . . . 59 HIS CE1 . 10257 1 610 . 1 1 59 59 HIS N N 15 117.346 0.300 . 1 . . . . 59 HIS N . 10257 1 611 . 1 1 60 60 ARG H H 1 7.995 0.030 . 1 . . . . 60 ARG H . 10257 1 612 . 1 1 60 60 ARG HA H 1 3.771 0.030 . 1 . . . . 60 ARG HA . 10257 1 613 . 1 1 60 60 ARG HB2 H 1 1.786 0.030 . 2 . . . . 60 ARG HB2 . 10257 1 614 . 1 1 60 60 ARG HB3 H 1 2.083 0.030 . 2 . . . . 60 ARG HB3 . 10257 1 615 . 1 1 60 60 ARG HD2 H 1 3.255 0.030 . 1 . . . . 60 ARG HD2 . 10257 1 616 . 1 1 60 60 ARG HD3 H 1 3.255 0.030 . 1 . . . . 60 ARG HD3 . 10257 1 617 . 1 1 60 60 ARG HG2 H 1 1.668 0.030 . 2 . . . . 60 ARG HG2 . 10257 1 618 . 1 1 60 60 ARG HG3 H 1 1.603 0.030 . 2 . . . . 60 ARG HG3 . 10257 1 619 . 1 1 60 60 ARG C C 13 178.684 0.300 . 1 . . . . 60 ARG C . 10257 1 620 . 1 1 60 60 ARG CA C 13 60.646 0.300 . 1 . . . . 60 ARG CA . 10257 1 621 . 1 1 60 60 ARG CB C 13 29.959 0.300 . 1 . . . . 60 ARG CB . 10257 1 622 . 1 1 60 60 ARG CD C 13 43.446 0.300 . 1 . . . . 60 ARG CD . 10257 1 623 . 1 1 60 60 ARG CG C 13 27.297 0.300 . 1 . . . . 60 ARG CG . 10257 1 624 . 1 1 60 60 ARG N N 15 120.640 0.300 . 1 . . . . 60 ARG N . 10257 1 625 . 1 1 61 61 GLU H H 1 8.929 0.030 . 1 . . . . 61 GLU H . 10257 1 626 . 1 1 61 61 GLU HA H 1 4.046 0.030 . 1 . . . . 61 GLU HA . 10257 1 627 . 1 1 61 61 GLU HB2 H 1 2.067 0.030 . 2 . . . . 61 GLU HB2 . 10257 1 628 . 1 1 61 61 GLU HB3 H 1 2.010 0.030 . 2 . . . . 61 GLU HB3 . 10257 1 629 . 1 1 61 61 GLU HG2 H 1 2.317 0.030 . 1 . . . . 61 GLU HG2 . 10257 1 630 . 1 1 61 61 GLU HG3 H 1 2.317 0.030 . 1 . . . . 61 GLU HG3 . 10257 1 631 . 1 1 61 61 GLU C C 13 179.024 0.300 . 1 . . . . 61 GLU C . 10257 1 632 . 1 1 61 61 GLU CA C 13 59.775 0.300 . 1 . . . . 61 GLU CA . 10257 1 633 . 1 1 61 61 GLU CB C 13 28.926 0.300 . 1 . . . . 61 GLU CB . 10257 1 634 . 1 1 61 61 GLU CG C 13 36.832 0.300 . 1 . . . . 61 GLU CG . 10257 1 635 . 1 1 61 61 GLU N N 15 117.239 0.300 . 1 . . . . 61 GLU N . 10257 1 636 . 1 1 62 62 GLU H H 1 8.182 0.030 . 1 . . . . 62 GLU H . 10257 1 637 . 1 1 62 62 GLU HA H 1 4.078 0.030 . 1 . . . . 62 GLU HA . 10257 1 638 . 1 1 62 62 GLU HB2 H 1 2.066 0.030 . 2 . . . . 62 GLU HB2 . 10257 1 639 . 1 1 62 62 GLU HB3 H 1 1.990 0.030 . 2 . . . . 62 GLU HB3 . 10257 1 640 . 1 1 62 62 GLU HG2 H 1 2.255 0.030 . 2 . . . . 62 GLU HG2 . 10257 1 641 . 1 1 62 62 GLU HG3 H 1 2.384 0.030 . 2 . . . . 62 GLU HG3 . 10257 1 642 . 1 1 62 62 GLU C C 13 179.242 0.300 . 1 . . . . 62 GLU C . 10257 1 643 . 1 1 62 62 GLU CA C 13 59.317 0.300 . 1 . . . . 62 GLU CA . 10257 1 644 . 1 1 62 62 GLU CB C 13 28.864 0.300 . 1 . . . . 62 GLU CB . 10257 1 645 . 1 1 62 62 GLU CG C 13 36.478 0.300 . 1 . . . . 62 GLU CG . 10257 1 646 . 1 1 62 62 GLU N N 15 120.004 0.300 . 1 . . . . 62 GLU N . 10257 1 647 . 1 1 63 63 LEU H H 1 7.849 0.030 . 1 . . . . 63 LEU H . 10257 1 648 . 1 1 63 63 LEU HA H 1 4.158 0.030 . 1 . . . . 63 LEU HA . 10257 1 649 . 1 1 63 63 LEU HB2 H 1 1.566 0.030 . 2 . . . . 63 LEU HB2 . 10257 1 650 . 1 1 63 63 LEU HB3 H 1 1.844 0.030 . 2 . . . . 63 LEU HB3 . 10257 1 651 . 1 1 63 63 LEU HD11 H 1 0.751 0.030 . 1 . . . . 63 LEU HD1 . 10257 1 652 . 1 1 63 63 LEU HD12 H 1 0.751 0.030 . 1 . . . . 63 LEU HD1 . 10257 1 653 . 1 1 63 63 LEU HD13 H 1 0.751 0.030 . 1 . . . . 63 LEU HD1 . 10257 1 654 . 1 1 63 63 LEU HD21 H 1 0.686 0.030 . 1 . . . . 63 LEU HD2 . 10257 1 655 . 1 1 63 63 LEU HD22 H 1 0.686 0.030 . 1 . . . . 63 LEU HD2 . 10257 1 656 . 1 1 63 63 LEU HD23 H 1 0.686 0.030 . 1 . . . . 63 LEU HD2 . 10257 1 657 . 1 1 63 63 LEU HG H 1 1.688 0.030 . 1 . . . . 63 LEU HG . 10257 1 658 . 1 1 63 63 LEU C C 13 179.679 0.300 . 1 . . . . 63 LEU C . 10257 1 659 . 1 1 63 63 LEU CA C 13 57.449 0.300 . 1 . . . . 63 LEU CA . 10257 1 660 . 1 1 63 63 LEU CB C 13 41.552 0.300 . 1 . . . . 63 LEU CB . 10257 1 661 . 1 1 63 63 LEU CD1 C 13 25.169 0.300 . 2 . . . . 63 LEU CD1 . 10257 1 662 . 1 1 63 63 LEU CD2 C 13 23.144 0.300 . 2 . . . . 63 LEU CD2 . 10257 1 663 . 1 1 63 63 LEU CG C 13 27.338 0.300 . 1 . . . . 63 LEU CG . 10257 1 664 . 1 1 63 63 LEU N N 15 119.191 0.300 . 1 . . . . 63 LEU N . 10257 1 665 . 1 1 64 64 GLU H H 1 8.097 0.030 . 1 . . . . 64 GLU H . 10257 1 666 . 1 1 64 64 GLU HA H 1 4.113 0.030 . 1 . . . . 64 GLU HA . 10257 1 667 . 1 1 64 64 GLU HB2 H 1 2.110 0.030 . 1 . . . . 64 GLU HB2 . 10257 1 668 . 1 1 64 64 GLU HB3 H 1 2.110 0.030 . 1 . . . . 64 GLU HB3 . 10257 1 669 . 1 1 64 64 GLU HG2 H 1 2.436 0.030 . 2 . . . . 64 GLU HG2 . 10257 1 670 . 1 1 64 64 GLU HG3 H 1 2.279 0.030 . 2 . . . . 64 GLU HG3 . 10257 1 671 . 1 1 64 64 GLU C C 13 178.951 0.300 . 1 . . . . 64 GLU C . 10257 1 672 . 1 1 64 64 GLU CA C 13 58.480 0.300 . 1 . . . . 64 GLU CA . 10257 1 673 . 1 1 64 64 GLU CB C 13 29.548 0.300 . 1 . . . . 64 GLU CB . 10257 1 674 . 1 1 64 64 GLU CG C 13 36.517 0.300 . 1 . . . . 64 GLU CG . 10257 1 675 . 1 1 64 64 GLU N N 15 118.834 0.300 . 1 . . . . 64 GLU N . 10257 1 676 . 1 1 65 65 LYS H H 1 7.854 0.030 . 1 . . . . 65 LYS H . 10257 1 677 . 1 1 65 65 LYS HA H 1 4.197 0.030 . 1 . . . . 65 LYS HA . 10257 1 678 . 1 1 65 65 LYS HB2 H 1 1.940 0.030 . 1 . . . . 65 LYS HB2 . 10257 1 679 . 1 1 65 65 LYS HB3 H 1 1.940 0.030 . 1 . . . . 65 LYS HB3 . 10257 1 680 . 1 1 65 65 LYS HD2 H 1 1.700 0.030 . 2 . . . . 65 LYS HD2 . 10257 1 681 . 1 1 65 65 LYS HE2 H 1 2.974 0.030 . 1 . . . . 65 LYS HE2 . 10257 1 682 . 1 1 65 65 LYS HE3 H 1 2.974 0.030 . 1 . . . . 65 LYS HE3 . 10257 1 683 . 1 1 65 65 LYS HG2 H 1 1.601 0.030 . 2 . . . . 65 LYS HG2 . 10257 1 684 . 1 1 65 65 LYS HG3 H 1 1.508 0.030 . 2 . . . . 65 LYS HG3 . 10257 1 685 . 1 1 65 65 LYS C C 13 177.713 0.300 . 1 . . . . 65 LYS C . 10257 1 686 . 1 1 65 65 LYS CA C 13 58.154 0.300 . 1 . . . . 65 LYS CA . 10257 1 687 . 1 1 65 65 LYS CB C 13 32.614 0.300 . 1 . . . . 65 LYS CB . 10257 1 688 . 1 1 65 65 LYS CD C 13 29.435 0.300 . 1 . . . . 65 LYS CD . 10257 1 689 . 1 1 65 65 LYS CE C 13 42.128 0.300 . 1 . . . . 65 LYS CE . 10257 1 690 . 1 1 65 65 LYS CG C 13 25.050 0.300 . 1 . . . . 65 LYS CG . 10257 1 691 . 1 1 65 65 LYS N N 15 119.350 0.300 . 1 . . . . 65 LYS N . 10257 1 692 . 1 1 66 66 SER H H 1 7.816 0.030 . 1 . . . . 66 SER H . 10257 1 693 . 1 1 66 66 SER HA H 1 4.457 0.030 . 1 . . . . 66 SER HA . 10257 1 694 . 1 1 66 66 SER HB2 H 1 3.926 0.030 . 1 . . . . 66 SER HB2 . 10257 1 695 . 1 1 66 66 SER HB3 H 1 3.926 0.030 . 1 . . . . 66 SER HB3 . 10257 1 696 . 1 1 66 66 SER C C 13 174.751 0.300 . 1 . . . . 66 SER C . 10257 1 697 . 1 1 66 66 SER CA C 13 58.864 0.300 . 1 . . . . 66 SER CA . 10257 1 698 . 1 1 66 66 SER CB C 13 64.180 0.300 . 1 . . . . 66 SER CB . 10257 1 699 . 1 1 66 66 SER N N 15 113.693 0.300 . 1 . . . . 66 SER N . 10257 1 700 . 1 1 67 67 GLY H H 1 7.959 0.030 . 1 . . . . 67 GLY H . 10257 1 701 . 1 1 67 67 GLY HA2 H 1 4.036 0.030 . 2 . . . . 67 GLY HA2 . 10257 1 702 . 1 1 67 67 GLY HA3 H 1 3.924 0.030 . 2 . . . . 67 GLY HA3 . 10257 1 703 . 1 1 67 67 GLY C C 13 174.775 0.300 . 1 . . . . 67 GLY C . 10257 1 704 . 1 1 67 67 GLY CA C 13 45.678 0.300 . 1 . . . . 67 GLY CA . 10257 1 705 . 1 1 67 67 GLY N N 15 108.980 0.300 . 1 . . . . 67 GLY N . 10257 1 706 . 1 1 68 68 HIS H H 1 8.148 0.030 . 1 . . . . 68 HIS H . 10257 1 707 . 1 1 68 68 HIS HA H 1 4.861 0.030 . 1 . . . . 68 HIS HA . 10257 1 708 . 1 1 68 68 HIS HB2 H 1 3.054 0.030 . 2 . . . . 68 HIS HB2 . 10257 1 709 . 1 1 68 68 HIS HB3 H 1 3.346 0.030 . 2 . . . . 68 HIS HB3 . 10257 1 710 . 1 1 68 68 HIS HD2 H 1 7.084 0.030 . 1 . . . . 68 HIS HD2 . 10257 1 711 . 1 1 68 68 HIS HE1 H 1 7.914 0.030 . 1 . . . . 68 HIS HE1 . 10257 1 712 . 1 1 68 68 HIS C C 13 176.159 0.300 . 1 . . . . 68 HIS C . 10257 1 713 . 1 1 68 68 HIS CA C 13 56.004 0.300 . 1 . . . . 68 HIS CA . 10257 1 714 . 1 1 68 68 HIS CB C 13 31.585 0.300 . 1 . . . . 68 HIS CB . 10257 1 715 . 1 1 68 68 HIS CD2 C 13 118.949 0.300 . 1 . . . . 68 HIS CD2 . 10257 1 716 . 1 1 68 68 HIS CE1 C 13 138.173 0.300 . 1 . . . . 68 HIS CE1 . 10257 1 717 . 1 1 68 68 HIS N N 15 119.127 0.300 . 1 . . . . 68 HIS N . 10257 1 718 . 1 1 69 69 GLY H H 1 8.610 0.030 . 1 . . . . 69 GLY H . 10257 1 719 . 1 1 69 69 GLY HA2 H 1 3.903 0.030 . 1 . . . . 69 GLY HA2 . 10257 1 720 . 1 1 69 69 GLY HA3 H 1 3.903 0.030 . 1 . . . . 69 GLY HA3 . 10257 1 721 . 1 1 69 69 GLY C C 13 174.290 0.300 . 1 . . . . 69 GLY C . 10257 1 722 . 1 1 69 69 GLY CA C 13 45.890 0.300 . 1 . . . . 69 GLY CA . 10257 1 723 . 1 1 69 69 GLY N N 15 109.663 0.300 . 1 . . . . 69 GLY N . 10257 1 724 . 1 1 70 70 GLN H H 1 8.325 0.030 . 1 . . . . 70 GLN H . 10257 1 725 . 1 1 70 70 GLN HA H 1 4.396 0.030 . 1 . . . . 70 GLN HA . 10257 1 726 . 1 1 70 70 GLN HB2 H 1 1.915 0.030 . 2 . . . . 70 GLN HB2 . 10257 1 727 . 1 1 70 70 GLN HB3 H 1 2.167 0.030 . 2 . . . . 70 GLN HB3 . 10257 1 728 . 1 1 70 70 GLN HE21 H 1 7.514 0.030 . 2 . . . . 70 GLN HE21 . 10257 1 729 . 1 1 70 70 GLN HE22 H 1 6.838 0.030 . 2 . . . . 70 GLN HE22 . 10257 1 730 . 1 1 70 70 GLN HG2 H 1 2.304 0.030 . 1 . . . . 70 GLN HG2 . 10257 1 731 . 1 1 70 70 GLN HG3 H 1 2.304 0.030 . 1 . . . . 70 GLN HG3 . 10257 1 732 . 1 1 70 70 GLN C C 13 176.208 0.300 . 1 . . . . 70 GLN C . 10257 1 733 . 1 1 70 70 GLN CA C 13 55.616 0.300 . 1 . . . . 70 GLN CA . 10257 1 734 . 1 1 70 70 GLN CB C 13 29.441 0.300 . 1 . . . . 70 GLN CB . 10257 1 735 . 1 1 70 70 GLN CG C 13 33.819 0.300 . 1 . . . . 70 GLN CG . 10257 1 736 . 1 1 70 70 GLN N N 15 119.031 0.300 . 1 . . . . 70 GLN N . 10257 1 737 . 1 1 70 70 GLN NE2 N 15 112.604 0.300 . 1 . . . . 70 GLN NE2 . 10257 1 738 . 1 1 71 71 SER HA H 1 4.466 0.030 . 1 . . . . 71 SER HA . 10257 1 739 . 1 1 71 71 SER HB2 H 1 3.818 0.030 . 1 . . . . 71 SER HB2 . 10257 1 740 . 1 1 71 71 SER HB3 H 1 3.818 0.030 . 1 . . . . 71 SER HB3 . 10257 1 741 . 1 1 71 71 SER C C 13 174.096 0.300 . 1 . . . . 71 SER C . 10257 1 742 . 1 1 71 71 SER CA C 13 58.506 0.300 . 1 . . . . 71 SER CA . 10257 1 743 . 1 1 71 71 SER CB C 13 64.126 0.300 . 1 . . . . 71 SER CB . 10257 1 744 . 1 1 72 72 GLY H H 1 8.136 0.030 . 1 . . . . 72 GLY H . 10257 1 745 . 1 1 72 72 GLY HA2 H 1 3.776 0.030 . 2 . . . . 72 GLY HA2 . 10257 1 746 . 1 1 72 72 GLY HA3 H 1 3.703 0.030 . 2 . . . . 72 GLY HA3 . 10257 1 747 . 1 1 72 72 GLY C C 13 171.644 0.300 . 1 . . . . 72 GLY C . 10257 1 748 . 1 1 72 72 GLY CA C 13 44.304 0.300 . 1 . . . . 72 GLY CA . 10257 1 749 . 1 1 72 72 GLY N N 15 110.082 0.300 . 1 . . . . 72 GLY N . 10257 1 750 . 1 1 73 73 PRO HA H 1 4.408 0.030 . 1 . . . . 73 PRO HA . 10257 1 751 . 1 1 73 73 PRO HB2 H 1 2.241 0.030 . 2 . . . . 73 PRO HB2 . 10257 1 752 . 1 1 73 73 PRO HB3 H 1 1.937 0.030 . 2 . . . . 73 PRO HB3 . 10257 1 753 . 1 1 73 73 PRO HD2 H 1 3.448 0.030 . 2 . . . . 73 PRO HD2 . 10257 1 754 . 1 1 73 73 PRO HD3 H 1 3.391 0.030 . 2 . . . . 73 PRO HD3 . 10257 1 755 . 1 1 73 73 PRO HG2 H 1 1.957 0.030 . 1 . . . . 73 PRO HG2 . 10257 1 756 . 1 1 73 73 PRO HG3 H 1 1.957 0.030 . 1 . . . . 73 PRO HG3 . 10257 1 757 . 1 1 73 73 PRO C C 13 175.067 0.300 . 1 . . . . 73 PRO C . 10257 1 758 . 1 1 73 73 PRO CA C 13 63.151 0.300 . 1 . . . . 73 PRO CA . 10257 1 759 . 1 1 73 73 PRO CB C 13 32.225 0.300 . 1 . . . . 73 PRO CB . 10257 1 760 . 1 1 73 73 PRO CD C 13 49.627 0.300 . 1 . . . . 73 PRO CD . 10257 1 761 . 1 1 73 73 PRO CG C 13 27.250 0.300 . 1 . . . . 73 PRO CG . 10257 1 762 . 1 1 74 74 SER HB2 H 1 3.794 0.030 . 2 . . . . 74 SER HB2 . 10257 1 763 . 1 1 74 74 SER CA C 13 58.647 0.300 . 1 . . . . 74 SER CA . 10257 1 764 . 1 1 74 74 SER CB C 13 63.915 0.300 . 1 . . . . 74 SER CB . 10257 1 stop_ save_