data_11312 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11312 _Entry.Title ; Solution structure of the C2H2 type zinc-binding domain of human zinc finger protein 64, isoforms 1 and 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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. Yoneyama . . . 11312 2 S. Koshiba . . . 11312 3 N. Tochio . . . 11312 4 M. Inoue . . . 11312 5 T. Kigawa . . . 11312 6 S. Yokoyama . . . 11312 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 11312 '15N chemical shifts' 51 11312 '1H chemical shifts' 372 11312 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 . . 2011-08-19 2010-08-10 original author . 11312 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5W 'BMRB Entry Tracking System' 11312 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11312 _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 structure of the C2H2 type zinc-binding domain of human zinc finger protein 64, isoforms 1 and 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. Yoneyama . . . 11312 1 2 S. Koshiba . . . 11312 1 3 N. Tochio . . . 11312 1 4 M. Inoue . . . 11312 1 5 T. Kigawa . . . 11312 1 6 S. Yokoyama . . . 11312 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11312 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein 64, isoforms 1' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C2H2 type zinc-binding domain' 1 $entity_1 A . yes native no no . . . 11312 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11312 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11312 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-binding domain' 1 CYS 12 12 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 12 CYS SG . . . . ZN 11312 1 2 coordination single . 1 'C2H2 type zinc-binding domain' 1 CYS 15 15 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 15 CYS SG . . . . ZN 11312 1 3 coordination single . 1 'C2H2 type zinc-binding domain' 1 HIS 28 28 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 28 HIS NE2 . . . . ZN 11312 1 4 coordination single . 1 'C2H2 type zinc-binding domain' 1 HIS 32 32 NE2 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 32 HIS NE2 . . . . ZN 11312 1 5 coordination single . 1 'C2H2 type zinc-binding domain' 1 CYS 40 40 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 40 CYS SG . . . . ZN 11312 1 6 coordination single . 1 'C2H2 type zinc-binding domain' 1 CYS 43 43 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 43 CYS SG . . . . ZN 11312 1 7 coordination single . 1 'C2H2 type zinc-binding domain' 1 HIS 56 56 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 56 HIS NE2 . . . . ZN 11312 1 8 coordination single . 1 'C2H2 type zinc-binding domain' 1 HIS 61 61 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 61 HIS NE2 . . . . ZN 11312 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 56 56 HE2 . 56 HIS HE2 11312 1 . . 1 1 HIS 61 61 HE2 . 61 HIS HE2 11312 1 . . 1 1 CYS 40 40 HG . 40 CYS HG 11312 1 . . 1 1 CYS 43 43 HG . 43 CYS HG 11312 1 . . 1 1 HIS 28 28 HE2 . 28 HIS HE2 11312 1 . . 1 1 HIS 32 32 HE2 . 32 HIS HE2 11312 1 . . 1 1 CYS 12 12 HG . 12 CYS HG 11312 1 . . 1 1 CYS 15 15 HG . 15 CYS HG 11312 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 yes PDB 1x5w . . . . . . 11312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11312 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2H2 type zinc-binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGHPEKCSECSYSCS SKAALRIHERIHCTDRPFKC NYCSFDTKQPSNLSKHMKKF HGDMSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 1X5W . "Solution Structure Of The C2h2 Type Zinc-Binding Domain Of Human Zinc Finger Protein 64, Isoforms 1 And 2" . . . . . 100.00 70 100.00 100.00 6.30e-42 . . . . 11312 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C2H2 type zinc-binding domain' . 11312 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 . 11312 1 2 . SER . 11312 1 3 . SER . 11312 1 4 . GLY . 11312 1 5 . SER . 11312 1 6 . SER . 11312 1 7 . GLY . 11312 1 8 . HIS . 11312 1 9 . PRO . 11312 1 10 . GLU . 11312 1 11 . LYS . 11312 1 12 . CYS . 11312 1 13 . SER . 11312 1 14 . GLU . 11312 1 15 . CYS . 11312 1 16 . SER . 11312 1 17 . TYR . 11312 1 18 . SER . 11312 1 19 . CYS . 11312 1 20 . SER . 11312 1 21 . SER . 11312 1 22 . LYS . 11312 1 23 . ALA . 11312 1 24 . ALA . 11312 1 25 . LEU . 11312 1 26 . ARG . 11312 1 27 . ILE . 11312 1 28 . HIS . 11312 1 29 . GLU . 11312 1 30 . ARG . 11312 1 31 . ILE . 11312 1 32 . HIS . 11312 1 33 . CYS . 11312 1 34 . THR . 11312 1 35 . ASP . 11312 1 36 . ARG . 11312 1 37 . PRO . 11312 1 38 . PHE . 11312 1 39 . LYS . 11312 1 40 . CYS . 11312 1 41 . ASN . 11312 1 42 . TYR . 11312 1 43 . CYS . 11312 1 44 . SER . 11312 1 45 . PHE . 11312 1 46 . ASP . 11312 1 47 . THR . 11312 1 48 . LYS . 11312 1 49 . GLN . 11312 1 50 . PRO . 11312 1 51 . SER . 11312 1 52 . ASN . 11312 1 53 . LEU . 11312 1 54 . SER . 11312 1 55 . LYS . 11312 1 56 . HIS . 11312 1 57 . MET . 11312 1 58 . LYS . 11312 1 59 . LYS . 11312 1 60 . PHE . 11312 1 61 . HIS . 11312 1 62 . GLY . 11312 1 63 . ASP . 11312 1 64 . MET . 11312 1 65 . SER . 11312 1 66 . GLY . 11312 1 67 . PRO . 11312 1 68 . SER . 11312 1 69 . SER . 11312 1 70 . GLY . 11312 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 11312 1 . SER 2 2 11312 1 . SER 3 3 11312 1 . GLY 4 4 11312 1 . SER 5 5 11312 1 . SER 6 6 11312 1 . GLY 7 7 11312 1 . HIS 8 8 11312 1 . PRO 9 9 11312 1 . GLU 10 10 11312 1 . LYS 11 11 11312 1 . CYS 12 12 11312 1 . SER 13 13 11312 1 . GLU 14 14 11312 1 . CYS 15 15 11312 1 . SER 16 16 11312 1 . TYR 17 17 11312 1 . SER 18 18 11312 1 . CYS 19 19 11312 1 . SER 20 20 11312 1 . SER 21 21 11312 1 . LYS 22 22 11312 1 . ALA 23 23 11312 1 . ALA 24 24 11312 1 . LEU 25 25 11312 1 . ARG 26 26 11312 1 . ILE 27 27 11312 1 . HIS 28 28 11312 1 . GLU 29 29 11312 1 . ARG 30 30 11312 1 . ILE 31 31 11312 1 . HIS 32 32 11312 1 . CYS 33 33 11312 1 . THR 34 34 11312 1 . ASP 35 35 11312 1 . ARG 36 36 11312 1 . PRO 37 37 11312 1 . PHE 38 38 11312 1 . LYS 39 39 11312 1 . CYS 40 40 11312 1 . ASN 41 41 11312 1 . TYR 42 42 11312 1 . CYS 43 43 11312 1 . SER 44 44 11312 1 . PHE 45 45 11312 1 . ASP 46 46 11312 1 . THR 47 47 11312 1 . LYS 48 48 11312 1 . GLN 49 49 11312 1 . PRO 50 50 11312 1 . SER 51 51 11312 1 . ASN 52 52 11312 1 . LEU 53 53 11312 1 . SER 54 54 11312 1 . LYS 55 55 11312 1 . HIS 56 56 11312 1 . MET 57 57 11312 1 . LYS 58 58 11312 1 . LYS 59 59 11312 1 . PHE 60 60 11312 1 . HIS 61 61 11312 1 . GLY 62 62 11312 1 . ASP 63 63 11312 1 . MET 64 64 11312 1 . SER 65 65 11312 1 . GLY 66 66 11312 1 . PRO 67 67 11312 1 . SER 68 68 11312 1 . SER 69 69 11312 1 . GLY 70 70 11312 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11312 _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _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 . 11312 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 11312 _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 . . . . . . . . . . . . . . . . . . . . . 11312 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 11312 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040809-09 . . . . . . 11312 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 11312 _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 no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _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 no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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 1.02b 11312 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11312 ZN [Zn++] SMILES CACTVS 3.341 11312 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11312 ZN [Zn+2] SMILES ACDLabs 10.04 11312 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11312 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11312 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11312 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11312 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 . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11312 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11312 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.25mM C2H2 type zinc-binding domain U-15N, {13C;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 50uM ZnCl2 {;} 10% D2O ; _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-binding domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.25 . . mM . . . . 11312 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11312 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11312 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11312 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11312 1 6 ZnCl2 'natural abundance' . . . . . salt 50 . . uM . . . . 11312 1 7 H2O . . . . . . solvent 90 . . % . . . . 11312 1 8 D2O . . . . . . solvent 10 . . % . . . . 11312 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 11312 _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 11312 1 pH 7.0 0.05 pH 11312 1 pressure 1 0.001 atm 11312 1 temperature 298 0.1 K 11312 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11312 _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 . . 11312 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11312 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11312 _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.' . . 11312 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11312 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11312 _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.' . . 11312 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11312 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11312 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11312 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11312 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11312 _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.' . . 11312 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11312 5 'structure solution' 11312 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 11312 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11312 _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 . 700 . . . 11312 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 11312 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11312 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11312 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 11312 _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 . . . . . . . . . 11312 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11312 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11312 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 11312 _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 15N-separated NOESY' 1 $sample_1 isotropic 11312 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11312 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11312 1 2 $NMRPipe . . 11312 1 3 $NMRview . . 11312 1 4 $Kujira . . 11312 1 5 $CYANA . . 11312 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 3.871 0.030 . 1 . . . . 7 GLY HA2 . 11312 1 2 . 1 1 7 7 GLY HA3 H 1 3.871 0.030 . 1 . . . . 7 GLY HA3 . 11312 1 3 . 1 1 7 7 GLY CA C 13 45.092 0.300 . 1 . . . . 7 GLY CA . 11312 1 4 . 1 1 8 8 HIS H H 1 8.122 0.030 . 1 . . . . 8 HIS H . 11312 1 5 . 1 1 8 8 HIS HA H 1 4.848 0.030 . 1 . . . . 8 HIS HA . 11312 1 6 . 1 1 8 8 HIS HB2 H 1 3.008 0.030 . 2 . . . . 8 HIS HB2 . 11312 1 7 . 1 1 8 8 HIS HB3 H 1 2.863 0.030 . 2 . . . . 8 HIS HB3 . 11312 1 8 . 1 1 8 8 HIS HD2 H 1 6.939 0.030 . 1 . . . . 8 HIS HD2 . 11312 1 9 . 1 1 8 8 HIS HE1 H 1 7.859 0.030 . 1 . . . . 8 HIS HE1 . 11312 1 10 . 1 1 8 8 HIS CA C 13 53.808 0.300 . 1 . . . . 8 HIS CA . 11312 1 11 . 1 1 8 8 HIS CB C 13 30.444 0.300 . 1 . . . . 8 HIS CB . 11312 1 12 . 1 1 8 8 HIS CD2 C 13 120.016 0.300 . 1 . . . . 8 HIS CD2 . 11312 1 13 . 1 1 8 8 HIS CE1 C 13 138.316 0.300 . 1 . . . . 8 HIS CE1 . 11312 1 14 . 1 1 8 8 HIS N N 15 120.140 0.300 . 1 . . . . 8 HIS N . 11312 1 15 . 1 1 9 9 PRO HA H 1 4.446 0.030 . 1 . . . . 9 PRO HA . 11312 1 16 . 1 1 9 9 PRO HB2 H 1 2.228 0.030 . 2 . . . . 9 PRO HB2 . 11312 1 17 . 1 1 9 9 PRO HB3 H 1 1.875 0.030 . 2 . . . . 9 PRO HB3 . 11312 1 18 . 1 1 9 9 PRO HD2 H 1 3.788 0.030 . 2 . . . . 9 PRO HD2 . 11312 1 19 . 1 1 9 9 PRO HD3 H 1 3.657 0.030 . 2 . . . . 9 PRO HD3 . 11312 1 20 . 1 1 9 9 PRO HG2 H 1 2.035 0.030 . 2 . . . . 9 PRO HG2 . 11312 1 21 . 1 1 9 9 PRO HG3 H 1 1.974 0.030 . 2 . . . . 9 PRO HG3 . 11312 1 22 . 1 1 9 9 PRO C C 13 176.789 0.300 . 1 . . . . 9 PRO C . 11312 1 23 . 1 1 9 9 PRO CA C 13 63.812 0.300 . 1 . . . . 9 PRO CA . 11312 1 24 . 1 1 9 9 PRO CB C 13 32.520 0.300 . 1 . . . . 9 PRO CB . 11312 1 25 . 1 1 9 9 PRO CD C 13 50.860 0.300 . 1 . . . . 9 PRO CD . 11312 1 26 . 1 1 9 9 PRO CG C 13 27.257 0.300 . 1 . . . . 9 PRO CG . 11312 1 27 . 1 1 10 10 GLU H H 1 8.109 0.030 . 1 . . . . 10 GLU H . 11312 1 28 . 1 1 10 10 GLU HA H 1 4.576 0.030 . 1 . . . . 10 GLU HA . 11312 1 29 . 1 1 10 10 GLU HB2 H 1 1.938 0.030 . 2 . . . . 10 GLU HB2 . 11312 1 30 . 1 1 10 10 GLU HB3 H 1 1.814 0.030 . 2 . . . . 10 GLU HB3 . 11312 1 31 . 1 1 10 10 GLU HG2 H 1 2.100 0.030 . 2 . . . . 10 GLU HG2 . 11312 1 32 . 1 1 10 10 GLU HG3 H 1 1.803 0.030 . 2 . . . . 10 GLU HG3 . 11312 1 33 . 1 1 10 10 GLU C C 13 174.997 0.300 . 1 . . . . 10 GLU C . 11312 1 34 . 1 1 10 10 GLU CA C 13 54.608 0.300 . 1 . . . . 10 GLU CA . 11312 1 35 . 1 1 10 10 GLU CB C 13 29.834 0.300 . 1 . . . . 10 GLU CB . 11312 1 36 . 1 1 10 10 GLU CG C 13 34.406 0.300 . 1 . . . . 10 GLU CG . 11312 1 37 . 1 1 10 10 GLU N N 15 118.770 0.300 . 1 . . . . 10 GLU N . 11312 1 38 . 1 1 11 11 LYS H H 1 8.418 0.030 . 1 . . . . 11 LYS H . 11312 1 39 . 1 1 11 11 LYS HA H 1 4.744 0.030 . 1 . . . . 11 LYS HA . 11312 1 40 . 1 1 11 11 LYS HB2 H 1 1.850 0.030 . 2 . . . . 11 LYS HB2 . 11312 1 41 . 1 1 11 11 LYS HB3 H 1 1.628 0.030 . 2 . . . . 11 LYS HB3 . 11312 1 42 . 1 1 11 11 LYS HE2 H 1 2.974 0.030 . 1 . . . . 11 LYS HE2 . 11312 1 43 . 1 1 11 11 LYS HE3 H 1 2.974 0.030 . 1 . . . . 11 LYS HE3 . 11312 1 44 . 1 1 11 11 LYS HG2 H 1 1.455 0.030 . 2 . . . . 11 LYS HG2 . 11312 1 45 . 1 1 11 11 LYS HG3 H 1 1.354 0.030 . 2 . . . . 11 LYS HG3 . 11312 1 46 . 1 1 11 11 LYS C C 13 175.274 0.300 . 1 . . . . 11 LYS C . 11312 1 47 . 1 1 11 11 LYS CA C 13 54.979 0.300 . 1 . . . . 11 LYS CA . 11312 1 48 . 1 1 11 11 LYS CB C 13 34.926 0.300 . 1 . . . . 11 LYS CB . 11312 1 49 . 1 1 11 11 LYS CD C 13 29.050 0.300 . 1 . . . . 11 LYS CD . 11312 1 50 . 1 1 11 11 LYS CE C 13 42.315 0.300 . 1 . . . . 11 LYS CE . 11312 1 51 . 1 1 11 11 LYS CG C 13 24.409 0.300 . 1 . . . . 11 LYS CG . 11312 1 52 . 1 1 11 11 LYS N N 15 123.064 0.300 . 1 . . . . 11 LYS N . 11312 1 53 . 1 1 12 12 CYS H H 1 8.632 0.030 . 1 . . . . 12 CYS H . 11312 1 54 . 1 1 12 12 CYS HA H 1 4.477 0.030 . 1 . . . . 12 CYS HA . 11312 1 55 . 1 1 12 12 CYS HB2 H 1 3.428 0.030 . 2 . . . . 12 CYS HB2 . 11312 1 56 . 1 1 12 12 CYS HB3 H 1 2.812 0.030 . 2 . . . . 12 CYS HB3 . 11312 1 57 . 1 1 12 12 CYS C C 13 175.572 0.300 . 1 . . . . 12 CYS C . 11312 1 58 . 1 1 12 12 CYS CA C 13 60.335 0.300 . 1 . . . . 12 CYS CA . 11312 1 59 . 1 1 12 12 CYS CB C 13 30.100 0.300 . 1 . . . . 12 CYS CB . 11312 1 60 . 1 1 12 12 CYS N N 15 127.236 0.300 . 1 . . . . 12 CYS N . 11312 1 61 . 1 1 13 13 SER H H 1 8.921 0.030 . 1 . . . . 13 SER H . 11312 1 62 . 1 1 13 13 SER HA H 1 4.430 0.030 . 1 . . . . 13 SER HA . 11312 1 63 . 1 1 13 13 SER HB2 H 1 4.080 0.030 . 2 . . . . 13 SER HB2 . 11312 1 64 . 1 1 13 13 SER HB3 H 1 4.004 0.030 . 2 . . . . 13 SER HB3 . 11312 1 65 . 1 1 13 13 SER C C 13 175.477 0.300 . 1 . . . . 13 SER C . 11312 1 66 . 1 1 13 13 SER CA C 13 60.675 0.300 . 1 . . . . 13 SER CA . 11312 1 67 . 1 1 13 13 SER CB C 13 63.812 0.300 . 1 . . . . 13 SER CB . 11312 1 68 . 1 1 13 13 SER N N 15 122.901 0.300 . 1 . . . . 13 SER N . 11312 1 69 . 1 1 14 14 GLU H H 1 9.590 0.030 . 1 . . . . 14 GLU H . 11312 1 70 . 1 1 14 14 GLU HA H 1 4.403 0.030 . 1 . . . . 14 GLU HA . 11312 1 71 . 1 1 14 14 GLU HB2 H 1 1.512 0.030 . 2 . . . . 14 GLU HB2 . 11312 1 72 . 1 1 14 14 GLU HB3 H 1 0.861 0.030 . 2 . . . . 14 GLU HB3 . 11312 1 73 . 1 1 14 14 GLU HG2 H 1 1.905 0.030 . 2 . . . . 14 GLU HG2 . 11312 1 74 . 1 1 14 14 GLU HG3 H 1 1.878 0.030 . 2 . . . . 14 GLU HG3 . 11312 1 75 . 1 1 14 14 GLU C C 13 175.561 0.300 . 1 . . . . 14 GLU C . 11312 1 76 . 1 1 14 14 GLU CA C 13 56.519 0.300 . 1 . . . . 14 GLU CA . 11312 1 77 . 1 1 14 14 GLU CB C 13 30.823 0.300 . 1 . . . . 14 GLU CB . 11312 1 78 . 1 1 14 14 GLU CG C 13 36.185 0.300 . 1 . . . . 14 GLU CG . 11312 1 79 . 1 1 14 14 GLU N N 15 123.839 0.300 . 1 . . . . 14 GLU N . 11312 1 80 . 1 1 15 15 CYS H H 1 7.972 0.030 . 1 . . . . 15 CYS H . 11312 1 81 . 1 1 15 15 CYS HA H 1 5.033 0.030 . 1 . . . . 15 CYS HA . 11312 1 82 . 1 1 15 15 CYS HB2 H 1 3.460 0.030 . 2 . . . . 15 CYS HB2 . 11312 1 83 . 1 1 15 15 CYS HB3 H 1 3.070 0.030 . 2 . . . . 15 CYS HB3 . 11312 1 84 . 1 1 15 15 CYS C C 13 173.736 0.300 . 1 . . . . 15 CYS C . 11312 1 85 . 1 1 15 15 CYS CA C 13 58.545 0.300 . 1 . . . . 15 CYS CA . 11312 1 86 . 1 1 15 15 CYS CB C 13 30.751 0.300 . 1 . . . . 15 CYS CB . 11312 1 87 . 1 1 15 15 CYS N N 15 119.982 0.300 . 1 . . . . 15 CYS N . 11312 1 88 . 1 1 16 16 SER H H 1 8.061 0.030 . 1 . . . . 16 SER H . 11312 1 89 . 1 1 16 16 SER HA H 1 4.411 0.030 . 1 . . . . 16 SER HA . 11312 1 90 . 1 1 16 16 SER HB2 H 1 4.145 0.030 . 2 . . . . 16 SER HB2 . 11312 1 91 . 1 1 16 16 SER HB3 H 1 3.951 0.030 . 2 . . . . 16 SER HB3 . 11312 1 92 . 1 1 16 16 SER C C 13 173.861 0.300 . 1 . . . . 16 SER C . 11312 1 93 . 1 1 16 16 SER CA C 13 59.670 0.300 . 1 . . . . 16 SER CA . 11312 1 94 . 1 1 16 16 SER CB C 13 63.580 0.300 . 1 . . . . 16 SER CB . 11312 1 95 . 1 1 16 16 SER N N 15 111.638 0.300 . 1 . . . . 16 SER N . 11312 1 96 . 1 1 17 17 TYR H H 1 9.020 0.030 . 1 . . . . 17 TYR H . 11312 1 97 . 1 1 17 17 TYR HA H 1 4.124 0.030 . 1 . . . . 17 TYR HA . 11312 1 98 . 1 1 17 17 TYR HB2 H 1 2.858 0.030 . 2 . . . . 17 TYR HB2 . 11312 1 99 . 1 1 17 17 TYR HB3 H 1 2.018 0.030 . 2 . . . . 17 TYR HB3 . 11312 1 100 . 1 1 17 17 TYR HD1 H 1 6.513 0.030 . 1 . . . . 17 TYR HD1 . 11312 1 101 . 1 1 17 17 TYR HD2 H 1 6.513 0.030 . 1 . . . . 17 TYR HD2 . 11312 1 102 . 1 1 17 17 TYR HE1 H 1 6.675 0.030 . 1 . . . . 17 TYR HE1 . 11312 1 103 . 1 1 17 17 TYR HE2 H 1 6.675 0.030 . 1 . . . . 17 TYR HE2 . 11312 1 104 . 1 1 17 17 TYR C C 13 173.532 0.300 . 1 . . . . 17 TYR C . 11312 1 105 . 1 1 17 17 TYR CA C 13 60.829 0.300 . 1 . . . . 17 TYR CA . 11312 1 106 . 1 1 17 17 TYR CB C 13 40.207 0.300 . 1 . . . . 17 TYR CB . 11312 1 107 . 1 1 17 17 TYR CD1 C 13 132.460 0.300 . 1 . . . . 17 TYR CD1 . 11312 1 108 . 1 1 17 17 TYR CD2 C 13 132.460 0.300 . 1 . . . . 17 TYR CD2 . 11312 1 109 . 1 1 17 17 TYR CE1 C 13 117.901 0.300 . 1 . . . . 17 TYR CE1 . 11312 1 110 . 1 1 17 17 TYR CE2 C 13 117.901 0.300 . 1 . . . . 17 TYR CE2 . 11312 1 111 . 1 1 17 17 TYR N N 15 127.672 0.300 . 1 . . . . 17 TYR N . 11312 1 112 . 1 1 18 18 SER H H 1 7.114 0.030 . 1 . . . . 18 SER H . 11312 1 113 . 1 1 18 18 SER HA H 1 5.057 0.030 . 1 . . . . 18 SER HA . 11312 1 114 . 1 1 18 18 SER HB2 H 1 3.671 0.030 . 1 . . . . 18 SER HB2 . 11312 1 115 . 1 1 18 18 SER HB3 H 1 3.671 0.030 . 1 . . . . 18 SER HB3 . 11312 1 116 . 1 1 18 18 SER C C 13 171.815 0.300 . 1 . . . . 18 SER C . 11312 1 117 . 1 1 18 18 SER CA C 13 56.217 0.300 . 1 . . . . 18 SER CA . 11312 1 118 . 1 1 18 18 SER CB C 13 66.204 0.300 . 1 . . . . 18 SER CB . 11312 1 119 . 1 1 18 18 SER N N 15 120.139 0.300 . 1 . . . . 18 SER N . 11312 1 120 . 1 1 19 19 CYS H H 1 8.792 0.030 . 1 . . . . 19 CYS H . 11312 1 121 . 1 1 19 19 CYS HA H 1 4.569 0.030 . 1 . . . . 19 CYS HA . 11312 1 122 . 1 1 19 19 CYS HB2 H 1 3.073 0.030 . 2 . . . . 19 CYS HB2 . 11312 1 123 . 1 1 19 19 CYS HB3 H 1 2.860 0.030 . 2 . . . . 19 CYS HB3 . 11312 1 124 . 1 1 19 19 CYS C C 13 173.874 0.300 . 1 . . . . 19 CYS C . 11312 1 125 . 1 1 19 19 CYS CA C 13 56.741 0.300 . 1 . . . . 19 CYS CA . 11312 1 126 . 1 1 19 19 CYS CB C 13 30.065 0.300 . 1 . . . . 19 CYS CB . 11312 1 127 . 1 1 19 19 CYS N N 15 115.270 0.300 . 1 . . . . 19 CYS N . 11312 1 128 . 1 1 20 20 SER HA H 1 4.573 0.030 . 1 . . . . 20 SER HA . 11312 1 129 . 1 1 20 20 SER HB2 H 1 4.023 0.030 . 2 . . . . 20 SER HB2 . 11312 1 130 . 1 1 20 20 SER HB3 H 1 3.914 0.030 . 2 . . . . 20 SER HB3 . 11312 1 131 . 1 1 20 20 SER CA C 13 59.494 0.300 . 1 . . . . 20 SER CA . 11312 1 132 . 1 1 20 20 SER CB C 13 64.236 0.300 . 1 . . . . 20 SER CB . 11312 1 133 . 1 1 21 21 SER H H 1 7.546 0.030 . 1 . . . . 21 SER H . 11312 1 134 . 1 1 21 21 SER HA H 1 5.018 0.030 . 1 . . . . 21 SER HA . 11312 1 135 . 1 1 21 21 SER HB2 H 1 4.222 0.030 . 2 . . . . 21 SER HB2 . 11312 1 136 . 1 1 21 21 SER HB3 H 1 3.965 0.030 . 2 . . . . 21 SER HB3 . 11312 1 137 . 1 1 21 21 SER CA C 13 56.549 0.300 . 1 . . . . 21 SER CA . 11312 1 138 . 1 1 21 21 SER CB C 13 66.186 0.300 . 1 . . . . 21 SER CB . 11312 1 139 . 1 1 21 21 SER N N 15 113.111 0.300 . 1 . . . . 21 SER N . 11312 1 140 . 1 1 22 22 LYS HA H 1 3.899 0.030 . 1 . . . . 22 LYS HA . 11312 1 141 . 1 1 22 22 LYS HB2 H 1 1.861 0.030 . 1 . . . . 22 LYS HB2 . 11312 1 142 . 1 1 22 22 LYS HB3 H 1 1.861 0.030 . 1 . . . . 22 LYS HB3 . 11312 1 143 . 1 1 22 22 LYS HD2 H 1 1.703 0.030 . 1 . . . . 22 LYS HD2 . 11312 1 144 . 1 1 22 22 LYS HD3 H 1 1.703 0.030 . 1 . . . . 22 LYS HD3 . 11312 1 145 . 1 1 22 22 LYS HE2 H 1 3.055 0.030 . 1 . . . . 22 LYS HE2 . 11312 1 146 . 1 1 22 22 LYS HE3 H 1 3.055 0.030 . 1 . . . . 22 LYS HE3 . 11312 1 147 . 1 1 22 22 LYS HG2 H 1 1.581 0.030 . 2 . . . . 22 LYS HG2 . 11312 1 148 . 1 1 22 22 LYS HG3 H 1 1.430 0.030 . 2 . . . . 22 LYS HG3 . 11312 1 149 . 1 1 22 22 LYS C C 13 178.621 0.300 . 1 . . . . 22 LYS C . 11312 1 150 . 1 1 22 22 LYS CA C 13 59.641 0.300 . 1 . . . . 22 LYS CA . 11312 1 151 . 1 1 22 22 LYS CB C 13 32.063 0.300 . 1 . . . . 22 LYS CB . 11312 1 152 . 1 1 22 22 LYS CD C 13 28.928 0.300 . 1 . . . . 22 LYS CD . 11312 1 153 . 1 1 22 22 LYS CE C 13 42.162 0.300 . 1 . . . . 22 LYS CE . 11312 1 154 . 1 1 22 22 LYS CG C 13 25.842 0.300 . 1 . . . . 22 LYS CG . 11312 1 155 . 1 1 23 23 ALA H H 1 8.426 0.030 . 1 . . . . 23 ALA H . 11312 1 156 . 1 1 23 23 ALA HA H 1 4.076 0.030 . 1 . . . . 23 ALA HA . 11312 1 157 . 1 1 23 23 ALA HB1 H 1 1.428 0.030 . 1 . . . . 23 ALA HB . 11312 1 158 . 1 1 23 23 ALA HB2 H 1 1.428 0.030 . 1 . . . . 23 ALA HB . 11312 1 159 . 1 1 23 23 ALA HB3 H 1 1.428 0.030 . 1 . . . . 23 ALA HB . 11312 1 160 . 1 1 23 23 ALA C C 13 180.523 0.300 . 1 . . . . 23 ALA C . 11312 1 161 . 1 1 23 23 ALA CA C 13 55.296 0.300 . 1 . . . . 23 ALA CA . 11312 1 162 . 1 1 23 23 ALA CB C 13 18.086 0.300 . 1 . . . . 23 ALA CB . 11312 1 163 . 1 1 23 23 ALA N N 15 121.487 0.300 . 1 . . . . 23 ALA N . 11312 1 164 . 1 1 24 24 ALA H H 1 7.745 0.030 . 1 . . . . 24 ALA H . 11312 1 165 . 1 1 24 24 ALA HA H 1 4.213 0.030 . 1 . . . . 24 ALA HA . 11312 1 166 . 1 1 24 24 ALA HB1 H 1 1.613 0.030 . 1 . . . . 24 ALA HB . 11312 1 167 . 1 1 24 24 ALA HB2 H 1 1.613 0.030 . 1 . . . . 24 ALA HB . 11312 1 168 . 1 1 24 24 ALA HB3 H 1 1.613 0.030 . 1 . . . . 24 ALA HB . 11312 1 169 . 1 1 24 24 ALA C C 13 180.992 0.300 . 1 . . . . 24 ALA C . 11312 1 170 . 1 1 24 24 ALA CA C 13 54.610 0.300 . 1 . . . . 24 ALA CA . 11312 1 171 . 1 1 24 24 ALA CB C 13 18.457 0.300 . 1 . . . . 24 ALA CB . 11312 1 172 . 1 1 24 24 ALA N N 15 119.827 0.300 . 1 . . . . 24 ALA N . 11312 1 173 . 1 1 25 25 LEU H H 1 7.957 0.030 . 1 . . . . 25 LEU H . 11312 1 174 . 1 1 25 25 LEU HA H 1 4.340 0.030 . 1 . . . . 25 LEU HA . 11312 1 175 . 1 1 25 25 LEU HB2 H 1 2.118 0.030 . 2 . . . . 25 LEU HB2 . 11312 1 176 . 1 1 25 25 LEU HB3 H 1 1.382 0.030 . 2 . . . . 25 LEU HB3 . 11312 1 177 . 1 1 25 25 LEU HD11 H 1 0.964 0.030 . 1 . . . . 25 LEU HD1 . 11312 1 178 . 1 1 25 25 LEU HD12 H 1 0.964 0.030 . 1 . . . . 25 LEU HD1 . 11312 1 179 . 1 1 25 25 LEU HD13 H 1 0.964 0.030 . 1 . . . . 25 LEU HD1 . 11312 1 180 . 1 1 25 25 LEU HD21 H 1 1.046 0.030 . 1 . . . . 25 LEU HD2 . 11312 1 181 . 1 1 25 25 LEU HD22 H 1 1.046 0.030 . 1 . . . . 25 LEU HD2 . 11312 1 182 . 1 1 25 25 LEU HD23 H 1 1.046 0.030 . 1 . . . . 25 LEU HD2 . 11312 1 183 . 1 1 25 25 LEU HG H 1 1.784 0.030 . 1 . . . . 25 LEU HG . 11312 1 184 . 1 1 25 25 LEU C C 13 178.086 0.300 . 1 . . . . 25 LEU C . 11312 1 185 . 1 1 25 25 LEU CA C 13 58.116 0.300 . 1 . . . . 25 LEU CA . 11312 1 186 . 1 1 25 25 LEU CB C 13 41.278 0.300 . 1 . . . . 25 LEU CB . 11312 1 187 . 1 1 25 25 LEU CD1 C 13 26.539 0.300 . 2 . . . . 25 LEU CD1 . 11312 1 188 . 1 1 25 25 LEU CD2 C 13 22.660 0.300 . 2 . . . . 25 LEU CD2 . 11312 1 189 . 1 1 25 25 LEU CG C 13 26.814 0.300 . 1 . . . . 25 LEU CG . 11312 1 190 . 1 1 25 25 LEU N N 15 124.295 0.300 . 1 . . . . 25 LEU N . 11312 1 191 . 1 1 26 26 ARG H H 1 8.209 0.030 . 1 . . . . 26 ARG H . 11312 1 192 . 1 1 26 26 ARG HA H 1 4.224 0.030 . 1 . . . . 26 ARG HA . 11312 1 193 . 1 1 26 26 ARG HB2 H 1 2.020 0.030 . 2 . . . . 26 ARG HB2 . 11312 1 194 . 1 1 26 26 ARG HB3 H 1 1.911 0.030 . 2 . . . . 26 ARG HB3 . 11312 1 195 . 1 1 26 26 ARG HD2 H 1 3.253 0.030 . 1 . . . . 26 ARG HD2 . 11312 1 196 . 1 1 26 26 ARG HD3 H 1 3.253 0.030 . 1 . . . . 26 ARG HD3 . 11312 1 197 . 1 1 26 26 ARG HG2 H 1 1.806 0.030 . 1 . . . . 26 ARG HG2 . 11312 1 198 . 1 1 26 26 ARG HG3 H 1 1.806 0.030 . 1 . . . . 26 ARG HG3 . 11312 1 199 . 1 1 26 26 ARG C C 13 179.601 0.300 . 1 . . . . 26 ARG C . 11312 1 200 . 1 1 26 26 ARG CA C 13 58.838 0.300 . 1 . . . . 26 ARG CA . 11312 1 201 . 1 1 26 26 ARG CB C 13 30.447 0.300 . 1 . . . . 26 ARG CB . 11312 1 202 . 1 1 26 26 ARG CD C 13 43.420 0.300 . 1 . . . . 26 ARG CD . 11312 1 203 . 1 1 26 26 ARG CG C 13 27.420 0.300 . 1 . . . . 26 ARG CG . 11312 1 204 . 1 1 26 26 ARG N N 15 118.130 0.300 . 1 . . . . 26 ARG N . 11312 1 205 . 1 1 27 27 ILE H H 1 7.256 0.030 . 1 . . . . 27 ILE H . 11312 1 206 . 1 1 27 27 ILE HA H 1 3.688 0.030 . 1 . . . . 27 ILE HA . 11312 1 207 . 1 1 27 27 ILE HB H 1 1.925 0.030 . 1 . . . . 27 ILE HB . 11312 1 208 . 1 1 27 27 ILE HD11 H 1 0.856 0.030 . 1 . . . . 27 ILE HD1 . 11312 1 209 . 1 1 27 27 ILE HD12 H 1 0.856 0.030 . 1 . . . . 27 ILE HD1 . 11312 1 210 . 1 1 27 27 ILE HD13 H 1 0.856 0.030 . 1 . . . . 27 ILE HD1 . 11312 1 211 . 1 1 27 27 ILE HG12 H 1 1.714 0.030 . 2 . . . . 27 ILE HG12 . 11312 1 212 . 1 1 27 27 ILE HG13 H 1 1.191 0.030 . 2 . . . . 27 ILE HG13 . 11312 1 213 . 1 1 27 27 ILE HG21 H 1 0.912 0.030 . 1 . . . . 27 ILE HG2 . 11312 1 214 . 1 1 27 27 ILE HG22 H 1 0.912 0.030 . 1 . . . . 27 ILE HG2 . 11312 1 215 . 1 1 27 27 ILE HG23 H 1 0.912 0.030 . 1 . . . . 27 ILE HG2 . 11312 1 216 . 1 1 27 27 ILE C C 13 178.827 0.300 . 1 . . . . 27 ILE C . 11312 1 217 . 1 1 27 27 ILE CA C 13 64.627 0.300 . 1 . . . . 27 ILE CA . 11312 1 218 . 1 1 27 27 ILE CB C 13 38.196 0.300 . 1 . . . . 27 ILE CB . 11312 1 219 . 1 1 27 27 ILE CD1 C 13 12.595 0.300 . 1 . . . . 27 ILE CD1 . 11312 1 220 . 1 1 27 27 ILE CG1 C 13 28.926 0.300 . 1 . . . . 27 ILE CG1 . 11312 1 221 . 1 1 27 27 ILE CG2 C 13 17.179 0.300 . 1 . . . . 27 ILE CG2 . 11312 1 222 . 1 1 27 27 ILE N N 15 117.946 0.300 . 1 . . . . 27 ILE N . 11312 1 223 . 1 1 28 28 HIS H H 1 7.806 0.030 . 1 . . . . 28 HIS H . 11312 1 224 . 1 1 28 28 HIS HA H 1 3.983 0.030 . 1 . . . . 28 HIS HA . 11312 1 225 . 1 1 28 28 HIS HB2 H 1 3.430 0.030 . 2 . . . . 28 HIS HB2 . 11312 1 226 . 1 1 28 28 HIS HB3 H 1 2.749 0.030 . 2 . . . . 28 HIS HB3 . 11312 1 227 . 1 1 28 28 HIS HD2 H 1 6.931 0.030 . 1 . . . . 28 HIS HD2 . 11312 1 228 . 1 1 28 28 HIS HE1 H 1 7.474 0.030 . 1 . . . . 28 HIS HE1 . 11312 1 229 . 1 1 28 28 HIS C C 13 176.347 0.300 . 1 . . . . 28 HIS C . 11312 1 230 . 1 1 28 28 HIS CA C 13 59.841 0.300 . 1 . . . . 28 HIS CA . 11312 1 231 . 1 1 28 28 HIS CB C 13 28.102 0.300 . 1 . . . . 28 HIS CB . 11312 1 232 . 1 1 28 28 HIS CD2 C 13 126.619 0.300 . 1 . . . . 28 HIS CD2 . 11312 1 233 . 1 1 28 28 HIS CE1 C 13 139.074 0.300 . 1 . . . . 28 HIS CE1 . 11312 1 234 . 1 1 28 28 HIS N N 15 120.465 0.300 . 1 . . . . 28 HIS N . 11312 1 235 . 1 1 29 29 GLU H H 1 8.684 0.030 . 1 . . . . 29 GLU H . 11312 1 236 . 1 1 29 29 GLU HA H 1 3.652 0.030 . 1 . . . . 29 GLU HA . 11312 1 237 . 1 1 29 29 GLU HB2 H 1 2.290 0.030 . 2 . . . . 29 GLU HB2 . 11312 1 238 . 1 1 29 29 GLU HB3 H 1 2.172 0.030 . 2 . . . . 29 GLU HB3 . 11312 1 239 . 1 1 29 29 GLU HG2 H 1 2.764 0.030 . 1 . . . . 29 GLU HG2 . 11312 1 240 . 1 1 29 29 GLU HG3 H 1 2.764 0.030 . 1 . . . . 29 GLU HG3 . 11312 1 241 . 1 1 29 29 GLU C C 13 178.123 0.300 . 1 . . . . 29 GLU C . 11312 1 242 . 1 1 29 29 GLU CA C 13 59.626 0.300 . 1 . . . . 29 GLU CA . 11312 1 243 . 1 1 29 29 GLU CB C 13 29.855 0.300 . 1 . . . . 29 GLU CB . 11312 1 244 . 1 1 29 29 GLU CG C 13 37.619 0.300 . 1 . . . . 29 GLU CG . 11312 1 245 . 1 1 29 29 GLU N N 15 114.753 0.300 . 1 . . . . 29 GLU N . 11312 1 246 . 1 1 30 30 ARG H H 1 7.156 0.030 . 1 . . . . 30 ARG H . 11312 1 247 . 1 1 30 30 ARG HA H 1 4.115 0.030 . 1 . . . . 30 ARG HA . 11312 1 248 . 1 1 30 30 ARG HB2 H 1 1.913 0.030 . 2 . . . . 30 ARG HB2 . 11312 1 249 . 1 1 30 30 ARG HB3 H 1 1.799 0.030 . 2 . . . . 30 ARG HB3 . 11312 1 250 . 1 1 30 30 ARG HD2 H 1 3.225 0.030 . 1 . . . . 30 ARG HD2 . 11312 1 251 . 1 1 30 30 ARG HD3 H 1 3.225 0.030 . 1 . . . . 30 ARG HD3 . 11312 1 252 . 1 1 30 30 ARG HG2 H 1 1.944 0.030 . 2 . . . . 30 ARG HG2 . 11312 1 253 . 1 1 30 30 ARG HG3 H 1 1.752 0.030 . 2 . . . . 30 ARG HG3 . 11312 1 254 . 1 1 30 30 ARG C C 13 178.945 0.300 . 1 . . . . 30 ARG C . 11312 1 255 . 1 1 30 30 ARG CA C 13 58.642 0.300 . 1 . . . . 30 ARG CA . 11312 1 256 . 1 1 30 30 ARG CB C 13 30.095 0.300 . 1 . . . . 30 ARG CB . 11312 1 257 . 1 1 30 30 ARG CD C 13 43.589 0.300 . 1 . . . . 30 ARG CD . 11312 1 258 . 1 1 30 30 ARG CG C 13 27.241 0.300 . 1 . . . . 30 ARG CG . 11312 1 259 . 1 1 30 30 ARG N N 15 118.368 0.300 . 1 . . . . 30 ARG N . 11312 1 260 . 1 1 31 31 ILE H H 1 7.815 0.030 . 1 . . . . 31 ILE H . 11312 1 261 . 1 1 31 31 ILE HA H 1 3.913 0.030 . 1 . . . . 31 ILE HA . 11312 1 262 . 1 1 31 31 ILE HB H 1 1.603 0.030 . 1 . . . . 31 ILE HB . 11312 1 263 . 1 1 31 31 ILE HD11 H 1 0.552 0.030 . 1 . . . . 31 ILE HD1 . 11312 1 264 . 1 1 31 31 ILE HD12 H 1 0.552 0.030 . 1 . . . . 31 ILE HD1 . 11312 1 265 . 1 1 31 31 ILE HD13 H 1 0.552 0.030 . 1 . . . . 31 ILE HD1 . 11312 1 266 . 1 1 31 31 ILE HG12 H 1 0.745 0.030 . 2 . . . . 31 ILE HG12 . 11312 1 267 . 1 1 31 31 ILE HG13 H 1 0.444 0.030 . 2 . . . . 31 ILE HG13 . 11312 1 268 . 1 1 31 31 ILE HG21 H 1 0.460 0.030 . 1 . . . . 31 ILE HG2 . 11312 1 269 . 1 1 31 31 ILE HG22 H 1 0.460 0.030 . 1 . . . . 31 ILE HG2 . 11312 1 270 . 1 1 31 31 ILE HG23 H 1 0.460 0.030 . 1 . . . . 31 ILE HG2 . 11312 1 271 . 1 1 31 31 ILE C C 13 177.102 0.300 . 1 . . . . 31 ILE C . 11312 1 272 . 1 1 31 31 ILE CA C 13 63.173 0.300 . 1 . . . . 31 ILE CA . 11312 1 273 . 1 1 31 31 ILE CB C 13 37.653 0.300 . 1 . . . . 31 ILE CB . 11312 1 274 . 1 1 31 31 ILE CD1 C 13 14.632 0.300 . 1 . . . . 31 ILE CD1 . 11312 1 275 . 1 1 31 31 ILE CG1 C 13 25.966 0.300 . 1 . . . . 31 ILE CG1 . 11312 1 276 . 1 1 31 31 ILE CG2 C 13 16.228 0.300 . 1 . . . . 31 ILE CG2 . 11312 1 277 . 1 1 31 31 ILE N N 15 115.586 0.300 . 1 . . . . 31 ILE N . 11312 1 278 . 1 1 32 32 HIS H H 1 7.201 0.030 . 1 . . . . 32 HIS H . 11312 1 279 . 1 1 32 32 HIS HA H 1 4.779 0.030 . 1 . . . . 32 HIS HA . 11312 1 280 . 1 1 32 32 HIS HB2 H 1 3.383 0.030 . 2 . . . . 32 HIS HB2 . 11312 1 281 . 1 1 32 32 HIS HB3 H 1 3.107 0.030 . 2 . . . . 32 HIS HB3 . 11312 1 282 . 1 1 32 32 HIS HD2 H 1 6.654 0.030 . 1 . . . . 32 HIS HD2 . 11312 1 283 . 1 1 32 32 HIS HE1 H 1 7.944 0.030 . 1 . . . . 32 HIS HE1 . 11312 1 284 . 1 1 32 32 HIS C C 13 175.057 0.300 . 1 . . . . 32 HIS C . 11312 1 285 . 1 1 32 32 HIS CA C 13 54.890 0.300 . 1 . . . . 32 HIS CA . 11312 1 286 . 1 1 32 32 HIS CB C 13 28.555 0.300 . 1 . . . . 32 HIS CB . 11312 1 287 . 1 1 32 32 HIS CD2 C 13 127.670 0.300 . 1 . . . . 32 HIS CD2 . 11312 1 288 . 1 1 32 32 HIS CE1 C 13 139.949 0.300 . 1 . . . . 32 HIS CE1 . 11312 1 289 . 1 1 32 32 HIS N N 15 117.310 0.300 . 1 . . . . 32 HIS N . 11312 1 290 . 1 1 33 33 CYS H H 1 7.604 0.030 . 1 . . . . 33 CYS H . 11312 1 291 . 1 1 33 33 CYS HA H 1 4.551 0.030 . 1 . . . . 33 CYS HA . 11312 1 292 . 1 1 33 33 CYS HB2 H 1 2.981 0.030 . 1 . . . . 33 CYS HB2 . 11312 1 293 . 1 1 33 33 CYS HB3 H 1 2.981 0.030 . 1 . . . . 33 CYS HB3 . 11312 1 294 . 1 1 33 33 CYS C C 13 175.050 0.300 . 1 . . . . 33 CYS C . 11312 1 295 . 1 1 33 33 CYS CA C 13 59.256 0.300 . 1 . . . . 33 CYS CA . 11312 1 296 . 1 1 33 33 CYS CB C 13 27.767 0.300 . 1 . . . . 33 CYS CB . 11312 1 297 . 1 1 33 33 CYS N N 15 118.600 0.300 . 1 . . . . 33 CYS N . 11312 1 298 . 1 1 34 34 THR H H 1 8.170 0.030 . 1 . . . . 34 THR H . 11312 1 299 . 1 1 34 34 THR HA H 1 4.355 0.030 . 1 . . . . 34 THR HA . 11312 1 300 . 1 1 34 34 THR HB H 1 4.299 0.030 . 1 . . . . 34 THR HB . 11312 1 301 . 1 1 34 34 THR HG21 H 1 1.178 0.030 . 1 . . . . 34 THR HG2 . 11312 1 302 . 1 1 34 34 THR HG22 H 1 1.178 0.030 . 1 . . . . 34 THR HG2 . 11312 1 303 . 1 1 34 34 THR HG23 H 1 1.178 0.030 . 1 . . . . 34 THR HG2 . 11312 1 304 . 1 1 34 34 THR C C 13 174.172 0.300 . 1 . . . . 34 THR C . 11312 1 305 . 1 1 34 34 THR CA C 13 61.845 0.300 . 1 . . . . 34 THR CA . 11312 1 306 . 1 1 34 34 THR CB C 13 69.628 0.300 . 1 . . . . 34 THR CB . 11312 1 307 . 1 1 34 34 THR CG2 C 13 21.541 0.300 . 1 . . . . 34 THR CG2 . 11312 1 308 . 1 1 34 34 THR N N 15 115.272 0.300 . 1 . . . . 34 THR N . 11312 1 309 . 1 1 35 35 ASP H H 1 8.213 0.030 . 1 . . . . 35 ASP H . 11312 1 310 . 1 1 35 35 ASP HA H 1 4.542 0.030 . 1 . . . . 35 ASP HA . 11312 1 311 . 1 1 35 35 ASP HB2 H 1 2.631 0.030 . 1 . . . . 35 ASP HB2 . 11312 1 312 . 1 1 35 35 ASP HB3 H 1 2.631 0.030 . 1 . . . . 35 ASP HB3 . 11312 1 313 . 1 1 35 35 ASP C C 13 175.523 0.300 . 1 . . . . 35 ASP C . 11312 1 314 . 1 1 35 35 ASP CA C 13 54.601 0.300 . 1 . . . . 35 ASP CA . 11312 1 315 . 1 1 35 35 ASP CB C 13 41.107 0.300 . 1 . . . . 35 ASP CB . 11312 1 316 . 1 1 35 35 ASP N N 15 122.252 0.300 . 1 . . . . 35 ASP N . 11312 1 317 . 1 1 36 36 ARG H H 1 7.989 0.030 . 1 . . . . 36 ARG H . 11312 1 318 . 1 1 36 36 ARG HA H 1 4.459 0.030 . 1 . . . . 36 ARG HA . 11312 1 319 . 1 1 36 36 ARG HB2 H 1 1.529 0.030 . 2 . . . . 36 ARG HB2 . 11312 1 320 . 1 1 36 36 ARG HB3 H 1 1.408 0.030 . 2 . . . . 36 ARG HB3 . 11312 1 321 . 1 1 36 36 ARG HD2 H 1 3.083 0.030 . 2 . . . . 36 ARG HD2 . 11312 1 322 . 1 1 36 36 ARG HD3 H 1 3.030 0.030 . 2 . . . . 36 ARG HD3 . 11312 1 323 . 1 1 36 36 ARG HG2 H 1 1.495 0.030 . 2 . . . . 36 ARG HG2 . 11312 1 324 . 1 1 36 36 ARG HG3 H 1 1.333 0.030 . 2 . . . . 36 ARG HG3 . 11312 1 325 . 1 1 36 36 ARG C C 13 173.704 0.300 . 1 . . . . 36 ARG C . 11312 1 326 . 1 1 36 36 ARG CA C 13 53.469 0.300 . 1 . . . . 36 ARG CA . 11312 1 327 . 1 1 36 36 ARG CB C 13 30.545 0.300 . 1 . . . . 36 ARG CB . 11312 1 328 . 1 1 36 36 ARG CD C 13 43.424 0.300 . 1 . . . . 36 ARG CD . 11312 1 329 . 1 1 36 36 ARG CG C 13 27.041 0.300 . 1 . . . . 36 ARG CG . 11312 1 330 . 1 1 36 36 ARG N N 15 120.252 0.300 . 1 . . . . 36 ARG N . 11312 1 331 . 1 1 37 37 PRO HA H 1 4.152 0.030 . 1 . . . . 37 PRO HA . 11312 1 332 . 1 1 37 37 PRO HB2 H 1 1.985 0.030 . 2 . . . . 37 PRO HB2 . 11312 1 333 . 1 1 37 37 PRO HB3 H 1 1.269 0.030 . 2 . . . . 37 PRO HB3 . 11312 1 334 . 1 1 37 37 PRO HD2 H 1 3.608 0.030 . 2 . . . . 37 PRO HD2 . 11312 1 335 . 1 1 37 37 PRO HD3 H 1 3.516 0.030 . 2 . . . . 37 PRO HD3 . 11312 1 336 . 1 1 37 37 PRO HG2 H 1 1.804 0.030 . 2 . . . . 37 PRO HG2 . 11312 1 337 . 1 1 37 37 PRO HG3 H 1 1.627 0.030 . 2 . . . . 37 PRO HG3 . 11312 1 338 . 1 1 37 37 PRO C C 13 176.206 0.300 . 1 . . . . 37 PRO C . 11312 1 339 . 1 1 37 37 PRO CA C 13 63.547 0.300 . 1 . . . . 37 PRO CA . 11312 1 340 . 1 1 37 37 PRO CB C 13 32.294 0.300 . 1 . . . . 37 PRO CB . 11312 1 341 . 1 1 37 37 PRO CD C 13 50.554 0.300 . 1 . . . . 37 PRO CD . 11312 1 342 . 1 1 37 37 PRO CG C 13 26.900 0.300 . 1 . . . . 37 PRO CG . 11312 1 343 . 1 1 38 38 PHE H H 1 8.013 0.030 . 1 . . . . 38 PHE H . 11312 1 344 . 1 1 38 38 PHE HA H 1 4.570 0.030 . 1 . . . . 38 PHE HA . 11312 1 345 . 1 1 38 38 PHE HB2 H 1 2.908 0.030 . 1 . . . . 38 PHE HB2 . 11312 1 346 . 1 1 38 38 PHE HB3 H 1 2.908 0.030 . 1 . . . . 38 PHE HB3 . 11312 1 347 . 1 1 38 38 PHE HD1 H 1 7.169 0.030 . 1 . . . . 38 PHE HD1 . 11312 1 348 . 1 1 38 38 PHE HD2 H 1 7.169 0.030 . 1 . . . . 38 PHE HD2 . 11312 1 349 . 1 1 38 38 PHE HE1 H 1 7.390 0.030 . 1 . . . . 38 PHE HE1 . 11312 1 350 . 1 1 38 38 PHE HE2 H 1 7.390 0.030 . 1 . . . . 38 PHE HE2 . 11312 1 351 . 1 1 38 38 PHE HZ H 1 7.362 0.030 . 1 . . . . 38 PHE HZ . 11312 1 352 . 1 1 38 38 PHE C C 13 173.836 0.300 . 1 . . . . 38 PHE C . 11312 1 353 . 1 1 38 38 PHE CA C 13 57.866 0.300 . 1 . . . . 38 PHE CA . 11312 1 354 . 1 1 38 38 PHE CB C 13 38.422 0.300 . 1 . . . . 38 PHE CB . 11312 1 355 . 1 1 38 38 PHE CD1 C 13 131.694 0.300 . 1 . . . . 38 PHE CD1 . 11312 1 356 . 1 1 38 38 PHE CD2 C 13 131.694 0.300 . 1 . . . . 38 PHE CD2 . 11312 1 357 . 1 1 38 38 PHE CE1 C 13 131.634 0.300 . 1 . . . . 38 PHE CE1 . 11312 1 358 . 1 1 38 38 PHE CE2 C 13 131.634 0.300 . 1 . . . . 38 PHE CE2 . 11312 1 359 . 1 1 38 38 PHE CZ C 13 129.968 0.300 . 1 . . . . 38 PHE CZ . 11312 1 360 . 1 1 38 38 PHE N N 15 119.143 0.300 . 1 . . . . 38 PHE N . 11312 1 361 . 1 1 39 39 LYS H H 1 8.280 0.030 . 1 . . . . 39 LYS H . 11312 1 362 . 1 1 39 39 LYS HA H 1 4.698 0.030 . 1 . . . . 39 LYS HA . 11312 1 363 . 1 1 39 39 LYS HB2 H 1 1.907 0.030 . 2 . . . . 39 LYS HB2 . 11312 1 364 . 1 1 39 39 LYS HB3 H 1 1.667 0.030 . 2 . . . . 39 LYS HB3 . 11312 1 365 . 1 1 39 39 LYS HD2 H 1 1.695 0.030 . 2 . . . . 39 LYS HD2 . 11312 1 366 . 1 1 39 39 LYS HD3 H 1 1.605 0.030 . 2 . . . . 39 LYS HD3 . 11312 1 367 . 1 1 39 39 LYS HE2 H 1 2.974 0.030 . 1 . . . . 39 LYS HE2 . 11312 1 368 . 1 1 39 39 LYS HE3 H 1 2.974 0.030 . 1 . . . . 39 LYS HE3 . 11312 1 369 . 1 1 39 39 LYS HG2 H 1 1.476 0.030 . 2 . . . . 39 LYS HG2 . 11312 1 370 . 1 1 39 39 LYS HG3 H 1 1.360 0.030 . 2 . . . . 39 LYS HG3 . 11312 1 371 . 1 1 39 39 LYS C C 13 175.492 0.300 . 1 . . . . 39 LYS C . 11312 1 372 . 1 1 39 39 LYS CA C 13 54.655 0.300 . 1 . . . . 39 LYS CA . 11312 1 373 . 1 1 39 39 LYS CB C 13 34.654 0.300 . 1 . . . . 39 LYS CB . 11312 1 374 . 1 1 39 39 LYS CD C 13 29.176 0.300 . 1 . . . . 39 LYS CD . 11312 1 375 . 1 1 39 39 LYS CE C 13 42.305 0.300 . 1 . . . . 39 LYS CE . 11312 1 376 . 1 1 39 39 LYS CG C 13 24.471 0.300 . 1 . . . . 39 LYS CG . 11312 1 377 . 1 1 39 39 LYS N N 15 123.360 0.300 . 1 . . . . 39 LYS N . 11312 1 378 . 1 1 40 40 CYS H H 1 8.620 0.030 . 1 . . . . 40 CYS H . 11312 1 379 . 1 1 40 40 CYS HA H 1 4.338 0.030 . 1 . . . . 40 CYS HA . 11312 1 380 . 1 1 40 40 CYS HB2 H 1 3.424 0.030 . 2 . . . . 40 CYS HB2 . 11312 1 381 . 1 1 40 40 CYS HB3 H 1 2.750 0.030 . 2 . . . . 40 CYS HB3 . 11312 1 382 . 1 1 40 40 CYS C C 13 175.444 0.300 . 1 . . . . 40 CYS C . 11312 1 383 . 1 1 40 40 CYS CA C 13 60.537 0.300 . 1 . . . . 40 CYS CA . 11312 1 384 . 1 1 40 40 CYS CB C 13 30.116 0.300 . 1 . . . . 40 CYS CB . 11312 1 385 . 1 1 40 40 CYS N N 15 126.553 0.300 . 1 . . . . 40 CYS N . 11312 1 386 . 1 1 41 41 ASN H H 1 8.626 0.030 . 1 . . . . 41 ASN H . 11312 1 387 . 1 1 41 41 ASN HA H 1 4.570 0.030 . 1 . . . . 41 ASN HA . 11312 1 388 . 1 1 41 41 ASN HB2 H 1 2.281 0.030 . 2 . . . . 41 ASN HB2 . 11312 1 389 . 1 1 41 41 ASN HB3 H 1 2.030 0.030 . 2 . . . . 41 ASN HB3 . 11312 1 390 . 1 1 41 41 ASN HD21 H 1 7.073 0.030 . 2 . . . . 41 ASN HD21 . 11312 1 391 . 1 1 41 41 ASN HD22 H 1 6.755 0.030 . 2 . . . . 41 ASN HD22 . 11312 1 392 . 1 1 41 41 ASN C C 13 175.595 0.300 . 1 . . . . 41 ASN C . 11312 1 393 . 1 1 41 41 ASN CA C 13 54.627 0.300 . 1 . . . . 41 ASN CA . 11312 1 394 . 1 1 41 41 ASN CB C 13 38.518 0.300 . 1 . . . . 41 ASN CB . 11312 1 395 . 1 1 41 41 ASN N N 15 124.103 0.300 . 1 . . . . 41 ASN N . 11312 1 396 . 1 1 41 41 ASN ND2 N 15 112.116 0.300 . 1 . . . . 41 ASN ND2 . 11312 1 397 . 1 1 42 42 TYR H H 1 9.857 0.030 . 1 . . . . 42 TYR H . 11312 1 398 . 1 1 42 42 TYR HA H 1 4.581 0.030 . 1 . . . . 42 TYR HA . 11312 1 399 . 1 1 42 42 TYR HB2 H 1 2.824 0.030 . 2 . . . . 42 TYR HB2 . 11312 1 400 . 1 1 42 42 TYR HB3 H 1 1.289 0.030 . 2 . . . . 42 TYR HB3 . 11312 1 401 . 1 1 42 42 TYR HD1 H 1 6.914 0.030 . 1 . . . . 42 TYR HD1 . 11312 1 402 . 1 1 42 42 TYR HD2 H 1 6.914 0.030 . 1 . . . . 42 TYR HD2 . 11312 1 403 . 1 1 42 42 TYR HE1 H 1 6.845 0.030 . 1 . . . . 42 TYR HE1 . 11312 1 404 . 1 1 42 42 TYR HE2 H 1 6.845 0.030 . 1 . . . . 42 TYR HE2 . 11312 1 405 . 1 1 42 42 TYR C C 13 174.788 0.300 . 1 . . . . 42 TYR C . 11312 1 406 . 1 1 42 42 TYR CA C 13 58.318 0.300 . 1 . . . . 42 TYR CA . 11312 1 407 . 1 1 42 42 TYR CB C 13 39.212 0.300 . 1 . . . . 42 TYR CB . 11312 1 408 . 1 1 42 42 TYR CD1 C 13 132.979 0.300 . 1 . . . . 42 TYR CD1 . 11312 1 409 . 1 1 42 42 TYR CD2 C 13 132.979 0.300 . 1 . . . . 42 TYR CD2 . 11312 1 410 . 1 1 42 42 TYR CE1 C 13 118.186 0.300 . 1 . . . . 42 TYR CE1 . 11312 1 411 . 1 1 42 42 TYR CE2 C 13 118.186 0.300 . 1 . . . . 42 TYR CE2 . 11312 1 412 . 1 1 42 42 TYR N N 15 120.900 0.300 . 1 . . . . 42 TYR N . 11312 1 413 . 1 1 43 43 CYS H H 1 8.067 0.030 . 1 . . . . 43 CYS H . 11312 1 414 . 1 1 43 43 CYS HA H 1 5.022 0.030 . 1 . . . . 43 CYS HA . 11312 1 415 . 1 1 43 43 CYS HB2 H 1 3.426 0.030 . 2 . . . . 43 CYS HB2 . 11312 1 416 . 1 1 43 43 CYS HB3 H 1 3.340 0.030 . 2 . . . . 43 CYS HB3 . 11312 1 417 . 1 1 43 43 CYS C C 13 173.395 0.300 . 1 . . . . 43 CYS C . 11312 1 418 . 1 1 43 43 CYS CA C 13 58.642 0.300 . 1 . . . . 43 CYS CA . 11312 1 419 . 1 1 43 43 CYS CB C 13 29.897 0.300 . 1 . . . . 43 CYS CB . 11312 1 420 . 1 1 43 43 CYS N N 15 120.677 0.300 . 1 . . . . 43 CYS N . 11312 1 421 . 1 1 44 44 SER H H 1 8.066 0.030 . 1 . . . . 44 SER H . 11312 1 422 . 1 1 44 44 SER HA H 1 4.436 0.030 . 1 . . . . 44 SER HA . 11312 1 423 . 1 1 44 44 SER HB2 H 1 4.084 0.030 . 2 . . . . 44 SER HB2 . 11312 1 424 . 1 1 44 44 SER HB3 H 1 3.925 0.030 . 2 . . . . 44 SER HB3 . 11312 1 425 . 1 1 44 44 SER C C 13 174.005 0.300 . 1 . . . . 44 SER C . 11312 1 426 . 1 1 44 44 SER CA C 13 59.525 0.300 . 1 . . . . 44 SER CA . 11312 1 427 . 1 1 44 44 SER CB C 13 63.754 0.300 . 1 . . . . 44 SER CB . 11312 1 428 . 1 1 44 44 SER N N 15 111.283 0.300 . 1 . . . . 44 SER N . 11312 1 429 . 1 1 45 45 PHE H H 1 8.857 0.030 . 1 . . . . 45 PHE H . 11312 1 430 . 1 1 45 45 PHE HA H 1 4.135 0.030 . 1 . . . . 45 PHE HA . 11312 1 431 . 1 1 45 45 PHE HB2 H 1 2.787 0.030 . 2 . . . . 45 PHE HB2 . 11312 1 432 . 1 1 45 45 PHE HB3 H 1 2.135 0.030 . 2 . . . . 45 PHE HB3 . 11312 1 433 . 1 1 45 45 PHE HD1 H 1 6.679 0.030 . 1 . . . . 45 PHE HD1 . 11312 1 434 . 1 1 45 45 PHE HD2 H 1 6.679 0.030 . 1 . . . . 45 PHE HD2 . 11312 1 435 . 1 1 45 45 PHE HE1 H 1 7.045 0.030 . 1 . . . . 45 PHE HE1 . 11312 1 436 . 1 1 45 45 PHE HE2 H 1 7.045 0.030 . 1 . . . . 45 PHE HE2 . 11312 1 437 . 1 1 45 45 PHE C C 13 173.039 0.300 . 1 . . . . 45 PHE C . 11312 1 438 . 1 1 45 45 PHE CA C 13 60.505 0.300 . 1 . . . . 45 PHE CA . 11312 1 439 . 1 1 45 45 PHE CB C 13 40.785 0.300 . 1 . . . . 45 PHE CB . 11312 1 440 . 1 1 45 45 PHE CD1 C 13 131.422 0.300 . 1 . . . . 45 PHE CD1 . 11312 1 441 . 1 1 45 45 PHE CD2 C 13 131.422 0.300 . 1 . . . . 45 PHE CD2 . 11312 1 442 . 1 1 45 45 PHE CE1 C 13 130.200 0.300 . 1 . . . . 45 PHE CE1 . 11312 1 443 . 1 1 45 45 PHE CE2 C 13 130.200 0.300 . 1 . . . . 45 PHE CE2 . 11312 1 444 . 1 1 45 45 PHE N N 15 127.595 0.300 . 1 . . . . 45 PHE N . 11312 1 445 . 1 1 46 46 ASP H H 1 7.066 0.030 . 1 . . . . 46 ASP H . 11312 1 446 . 1 1 46 46 ASP HA H 1 4.768 0.030 . 1 . . . . 46 ASP HA . 11312 1 447 . 1 1 46 46 ASP HB2 H 1 2.612 0.030 . 2 . . . . 46 ASP HB2 . 11312 1 448 . 1 1 46 46 ASP HB3 H 1 2.520 0.030 . 2 . . . . 46 ASP HB3 . 11312 1 449 . 1 1 46 46 ASP C C 13 172.893 0.300 . 1 . . . . 46 ASP C . 11312 1 450 . 1 1 46 46 ASP CA C 13 52.033 0.300 . 1 . . . . 46 ASP CA . 11312 1 451 . 1 1 46 46 ASP CB C 13 43.657 0.300 . 1 . . . . 46 ASP CB . 11312 1 452 . 1 1 46 46 ASP N N 15 124.223 0.300 . 1 . . . . 46 ASP N . 11312 1 453 . 1 1 47 47 THR H H 1 8.203 0.030 . 1 . . . . 47 THR H . 11312 1 454 . 1 1 47 47 THR HA H 1 4.464 0.030 . 1 . . . . 47 THR HA . 11312 1 455 . 1 1 47 47 THR HB H 1 4.087 0.030 . 1 . . . . 47 THR HB . 11312 1 456 . 1 1 47 47 THR HG21 H 1 1.158 0.030 . 1 . . . . 47 THR HG2 . 11312 1 457 . 1 1 47 47 THR HG22 H 1 1.158 0.030 . 1 . . . . 47 THR HG2 . 11312 1 458 . 1 1 47 47 THR HG23 H 1 1.158 0.030 . 1 . . . . 47 THR HG2 . 11312 1 459 . 1 1 47 47 THR C C 13 171.907 0.300 . 1 . . . . 47 THR C . 11312 1 460 . 1 1 47 47 THR CA C 13 60.410 0.300 . 1 . . . . 47 THR CA . 11312 1 461 . 1 1 47 47 THR CB C 13 68.394 0.300 . 1 . . . . 47 THR CB . 11312 1 462 . 1 1 47 47 THR CG2 C 13 20.731 0.300 . 1 . . . . 47 THR CG2 . 11312 1 463 . 1 1 47 47 THR N N 15 110.997 0.300 . 1 . . . . 47 THR N . 11312 1 464 . 1 1 48 48 LYS HA H 1 4.709 0.030 . 1 . . . . 48 LYS HA . 11312 1 465 . 1 1 48 48 LYS HB2 H 1 1.925 0.030 . 2 . . . . 48 LYS HB2 . 11312 1 466 . 1 1 48 48 LYS HB3 H 1 2.112 0.030 . 2 . . . . 48 LYS HB3 . 11312 1 467 . 1 1 48 48 LYS HD2 H 1 1.741 0.030 . 1 . . . . 48 LYS HD2 . 11312 1 468 . 1 1 48 48 LYS HD3 H 1 1.741 0.030 . 1 . . . . 48 LYS HD3 . 11312 1 469 . 1 1 48 48 LYS HE2 H 1 3.003 0.030 . 1 . . . . 48 LYS HE2 . 11312 1 470 . 1 1 48 48 LYS HE3 H 1 3.003 0.030 . 1 . . . . 48 LYS HE3 . 11312 1 471 . 1 1 48 48 LYS HG2 H 1 1.555 0.030 . 1 . . . . 48 LYS HG2 . 11312 1 472 . 1 1 48 48 LYS HG3 H 1 1.555 0.030 . 1 . . . . 48 LYS HG3 . 11312 1 473 . 1 1 48 48 LYS CA C 13 57.368 0.300 . 1 . . . . 48 LYS CA . 11312 1 474 . 1 1 48 48 LYS CB C 13 33.956 0.300 . 1 . . . . 48 LYS CB . 11312 1 475 . 1 1 48 48 LYS CD C 13 29.330 0.300 . 1 . . . . 48 LYS CD . 11312 1 476 . 1 1 48 48 LYS CE C 13 42.137 0.300 . 1 . . . . 48 LYS CE . 11312 1 477 . 1 1 48 48 LYS CG C 13 25.927 0.300 . 1 . . . . 48 LYS CG . 11312 1 478 . 1 1 49 49 GLN H H 1 8.074 0.030 . 1 . . . . 49 GLN H . 11312 1 479 . 1 1 49 49 GLN HA H 1 5.036 0.030 . 1 . . . . 49 GLN HA . 11312 1 480 . 1 1 49 49 GLN HB2 H 1 2.021 0.030 . 2 . . . . 49 GLN HB2 . 11312 1 481 . 1 1 49 49 GLN HB3 H 1 2.130 0.030 . 2 . . . . 49 GLN HB3 . 11312 1 482 . 1 1 49 49 GLN HG2 H 1 2.377 0.030 . 2 . . . . 49 GLN HG2 . 11312 1 483 . 1 1 49 49 GLN HG3 H 1 2.435 0.030 . 2 . . . . 49 GLN HG3 . 11312 1 484 . 1 1 49 49 GLN CA C 13 52.543 0.300 . 1 . . . . 49 GLN CA . 11312 1 485 . 1 1 49 49 GLN CB C 13 30.241 0.300 . 1 . . . . 49 GLN CB . 11312 1 486 . 1 1 49 49 GLN CG C 13 33.450 0.300 . 1 . . . . 49 GLN CG . 11312 1 487 . 1 1 49 49 GLN N N 15 118.759 0.300 . 1 . . . . 49 GLN N . 11312 1 488 . 1 1 50 50 PRO HA H 1 3.482 0.030 . 1 . . . . 50 PRO HA . 11312 1 489 . 1 1 50 50 PRO HB2 H 1 1.647 0.030 . 2 . . . . 50 PRO HB2 . 11312 1 490 . 1 1 50 50 PRO HB3 H 1 1.788 0.030 . 2 . . . . 50 PRO HB3 . 11312 1 491 . 1 1 50 50 PRO HD2 H 1 3.883 0.030 . 2 . . . . 50 PRO HD2 . 11312 1 492 . 1 1 50 50 PRO HD3 H 1 3.509 0.030 . 2 . . . . 50 PRO HD3 . 11312 1 493 . 1 1 50 50 PRO HG2 H 1 1.344 0.030 . 2 . . . . 50 PRO HG2 . 11312 1 494 . 1 1 50 50 PRO HG3 H 1 1.917 0.030 . 2 . . . . 50 PRO HG3 . 11312 1 495 . 1 1 50 50 PRO CA C 13 65.326 0.300 . 1 . . . . 50 PRO CA . 11312 1 496 . 1 1 50 50 PRO CB C 13 31.140 0.300 . 1 . . . . 50 PRO CB . 11312 1 497 . 1 1 50 50 PRO CD C 13 50.878 0.300 . 1 . . . . 50 PRO CD . 11312 1 498 . 1 1 50 50 PRO CG C 13 26.814 0.300 . 1 . . . . 50 PRO CG . 11312 1 499 . 1 1 51 51 SER HA H 1 4.267 0.030 . 1 . . . . 51 SER HA . 11312 1 500 . 1 1 51 51 SER HB2 H 1 3.933 0.030 . 1 . . . . 51 SER HB2 . 11312 1 501 . 1 1 51 51 SER HB3 H 1 3.933 0.030 . 1 . . . . 51 SER HB3 . 11312 1 502 . 1 1 51 51 SER CA C 13 61.158 0.300 . 1 . . . . 51 SER CA . 11312 1 503 . 1 1 51 51 SER CB C 13 62.064 0.300 . 1 . . . . 51 SER CB . 11312 1 504 . 1 1 52 52 ASN H H 1 7.567 0.030 . 1 . . . . 52 ASN H . 11312 1 505 . 1 1 52 52 ASN HA H 1 4.791 0.030 . 1 . . . . 52 ASN HA . 11312 1 506 . 1 1 52 52 ASN HB2 H 1 3.034 0.030 . 2 . . . . 52 ASN HB2 . 11312 1 507 . 1 1 52 52 ASN HB3 H 1 3.454 0.030 . 2 . . . . 52 ASN HB3 . 11312 1 508 . 1 1 52 52 ASN CA C 13 55.250 0.300 . 1 . . . . 52 ASN CA . 11312 1 509 . 1 1 52 52 ASN CB C 13 37.986 0.300 . 1 . . . . 52 ASN CB . 11312 1 510 . 1 1 52 52 ASN N N 15 119.978 0.300 . 1 . . . . 52 ASN N . 11312 1 511 . 1 1 53 53 LEU H H 1 7.662 0.030 . 1 . . . . 53 LEU H . 11312 1 512 . 1 1 53 53 LEU HA H 1 4.511 0.030 . 1 . . . . 53 LEU HA . 11312 1 513 . 1 1 53 53 LEU HB2 H 1 1.378 0.030 . 2 . . . . 53 LEU HB2 . 11312 1 514 . 1 1 53 53 LEU HB3 H 1 2.211 0.030 . 2 . . . . 53 LEU HB3 . 11312 1 515 . 1 1 53 53 LEU HD11 H 1 1.032 0.030 . 1 . . . . 53 LEU HD1 . 11312 1 516 . 1 1 53 53 LEU HD12 H 1 1.032 0.030 . 1 . . . . 53 LEU HD1 . 11312 1 517 . 1 1 53 53 LEU HD13 H 1 1.032 0.030 . 1 . . . . 53 LEU HD1 . 11312 1 518 . 1 1 53 53 LEU HD21 H 1 1.074 0.030 . 1 . . . . 53 LEU HD2 . 11312 1 519 . 1 1 53 53 LEU HD22 H 1 1.074 0.030 . 1 . . . . 53 LEU HD2 . 11312 1 520 . 1 1 53 53 LEU HD23 H 1 1.074 0.030 . 1 . . . . 53 LEU HD2 . 11312 1 521 . 1 1 53 53 LEU HG H 1 1.810 0.030 . 1 . . . . 53 LEU HG . 11312 1 522 . 1 1 53 53 LEU CA C 13 58.111 0.300 . 1 . . . . 53 LEU CA . 11312 1 523 . 1 1 53 53 LEU CB C 13 40.610 0.300 . 1 . . . . 53 LEU CB . 11312 1 524 . 1 1 53 53 LEU CD1 C 13 26.006 0.300 . 2 . . . . 53 LEU CD1 . 11312 1 525 . 1 1 53 53 LEU CD2 C 13 22.762 0.300 . 2 . . . . 53 LEU CD2 . 11312 1 526 . 1 1 53 53 LEU CG C 13 27.102 0.300 . 1 . . . . 53 LEU CG . 11312 1 527 . 1 1 53 53 LEU N N 15 124.040 0.300 . 1 . . . . 53 LEU N . 11312 1 528 . 1 1 54 54 SER H H 1 8.040 0.030 . 1 . . . . 54 SER H . 11312 1 529 . 1 1 54 54 SER HA H 1 3.994 0.030 . 1 . . . . 54 SER HA . 11312 1 530 . 1 1 54 54 SER HB2 H 1 4.265 0.030 . 1 . . . . 54 SER HB2 . 11312 1 531 . 1 1 54 54 SER HB3 H 1 4.265 0.030 . 1 . . . . 54 SER HB3 . 11312 1 532 . 1 1 54 54 SER C C 13 177.439 0.300 . 1 . . . . 54 SER C . 11312 1 533 . 1 1 54 54 SER CA C 13 62.244 0.300 . 1 . . . . 54 SER CA . 11312 1 534 . 1 1 54 54 SER CB C 13 62.046 0.300 . 1 . . . . 54 SER CB . 11312 1 535 . 1 1 54 54 SER N N 15 115.346 0.300 . 1 . . . . 54 SER N . 11312 1 536 . 1 1 55 55 LYS H H 1 7.705 0.030 . 1 . . . . 55 LYS H . 11312 1 537 . 1 1 55 55 LYS HA H 1 4.022 0.030 . 1 . . . . 55 LYS HA . 11312 1 538 . 1 1 55 55 LYS HB2 H 1 1.942 0.030 . 1 . . . . 55 LYS HB2 . 11312 1 539 . 1 1 55 55 LYS HB3 H 1 1.942 0.030 . 1 . . . . 55 LYS HB3 . 11312 1 540 . 1 1 55 55 LYS HD2 H 1 1.775 0.030 . 2 . . . . 55 LYS HD2 . 11312 1 541 . 1 1 55 55 LYS HD3 H 1 1.720 0.030 . 2 . . . . 55 LYS HD3 . 11312 1 542 . 1 1 55 55 LYS HE2 H 1 3.009 0.030 . 1 . . . . 55 LYS HE2 . 11312 1 543 . 1 1 55 55 LYS HE3 H 1 3.009 0.030 . 1 . . . . 55 LYS HE3 . 11312 1 544 . 1 1 55 55 LYS HG2 H 1 1.703 0.030 . 2 . . . . 55 LYS HG2 . 11312 1 545 . 1 1 55 55 LYS HG3 H 1 1.492 0.030 . 2 . . . . 55 LYS HG3 . 11312 1 546 . 1 1 55 55 LYS C C 13 178.633 0.300 . 1 . . . . 55 LYS C . 11312 1 547 . 1 1 55 55 LYS CA C 13 59.926 0.300 . 1 . . . . 55 LYS CA . 11312 1 548 . 1 1 55 55 LYS CB C 13 32.838 0.300 . 1 . . . . 55 LYS CB . 11312 1 549 . 1 1 55 55 LYS CD C 13 29.545 0.300 . 1 . . . . 55 LYS CD . 11312 1 550 . 1 1 55 55 LYS CE C 13 42.150 0.300 . 1 . . . . 55 LYS CE . 11312 1 551 . 1 1 55 55 LYS CG C 13 25.523 0.300 . 1 . . . . 55 LYS CG . 11312 1 552 . 1 1 55 55 LYS N N 15 120.294 0.300 . 1 . . . . 55 LYS N . 11312 1 553 . 1 1 56 56 HIS H H 1 7.764 0.030 . 1 . . . . 56 HIS H . 11312 1 554 . 1 1 56 56 HIS HA H 1 4.176 0.030 . 1 . . . . 56 HIS HA . 11312 1 555 . 1 1 56 56 HIS HB2 H 1 3.342 0.030 . 2 . . . . 56 HIS HB2 . 11312 1 556 . 1 1 56 56 HIS HB3 H 1 2.645 0.030 . 2 . . . . 56 HIS HB3 . 11312 1 557 . 1 1 56 56 HIS HD2 H 1 7.138 0.030 . 1 . . . . 56 HIS HD2 . 11312 1 558 . 1 1 56 56 HIS HE1 H 1 7.068 0.030 . 1 . . . . 56 HIS HE1 . 11312 1 559 . 1 1 56 56 HIS C C 13 176.806 0.300 . 1 . . . . 56 HIS C . 11312 1 560 . 1 1 56 56 HIS CA C 13 60.159 0.300 . 1 . . . . 56 HIS CA . 11312 1 561 . 1 1 56 56 HIS CB C 13 28.321 0.300 . 1 . . . . 56 HIS CB . 11312 1 562 . 1 1 56 56 HIS CD2 C 13 127.039 0.300 . 1 . . . . 56 HIS CD2 . 11312 1 563 . 1 1 56 56 HIS CE1 C 13 138.636 0.300 . 1 . . . . 56 HIS CE1 . 11312 1 564 . 1 1 56 56 HIS N N 15 119.353 0.300 . 1 . . . . 56 HIS N . 11312 1 565 . 1 1 57 57 MET H H 1 8.721 0.030 . 1 . . . . 57 MET H . 11312 1 566 . 1 1 57 57 MET HA H 1 4.187 0.030 . 1 . . . . 57 MET HA . 11312 1 567 . 1 1 57 57 MET HB2 H 1 2.447 0.030 . 2 . . . . 57 MET HB2 . 11312 1 568 . 1 1 57 57 MET HB3 H 1 2.306 0.030 . 2 . . . . 57 MET HB3 . 11312 1 569 . 1 1 57 57 MET HE1 H 1 2.334 0.030 . 1 . . . . 57 MET HE . 11312 1 570 . 1 1 57 57 MET HE2 H 1 2.334 0.030 . 1 . . . . 57 MET HE . 11312 1 571 . 1 1 57 57 MET HE3 H 1 2.334 0.030 . 1 . . . . 57 MET HE . 11312 1 572 . 1 1 57 57 MET HG2 H 1 3.054 0.030 . 1 . . . . 57 MET HG2 . 11312 1 573 . 1 1 57 57 MET HG3 H 1 3.054 0.030 . 1 . . . . 57 MET HG3 . 11312 1 574 . 1 1 57 57 MET C C 13 178.890 0.300 . 1 . . . . 57 MET C . 11312 1 575 . 1 1 57 57 MET CA C 13 58.535 0.300 . 1 . . . . 57 MET CA . 11312 1 576 . 1 1 57 57 MET CB C 13 31.103 0.300 . 1 . . . . 57 MET CB . 11312 1 577 . 1 1 57 57 MET CE C 13 16.752 0.300 . 1 . . . . 57 MET CE . 11312 1 578 . 1 1 57 57 MET CG C 13 32.428 0.300 . 1 . . . . 57 MET CG . 11312 1 579 . 1 1 57 57 MET N N 15 117.736 0.300 . 1 . . . . 57 MET N . 11312 1 580 . 1 1 58 58 LYS H H 1 7.612 0.030 . 1 . . . . 58 LYS H . 11312 1 581 . 1 1 58 58 LYS HA H 1 3.969 0.030 . 1 . . . . 58 LYS HA . 11312 1 582 . 1 1 58 58 LYS HB2 H 1 1.844 0.030 . 1 . . . . 58 LYS HB2 . 11312 1 583 . 1 1 58 58 LYS HB3 H 1 1.844 0.030 . 1 . . . . 58 LYS HB3 . 11312 1 584 . 1 1 58 58 LYS HD2 H 1 1.663 0.030 . 1 . . . . 58 LYS HD2 . 11312 1 585 . 1 1 58 58 LYS HD3 H 1 1.663 0.030 . 1 . . . . 58 LYS HD3 . 11312 1 586 . 1 1 58 58 LYS HE2 H 1 2.974 0.030 . 1 . . . . 58 LYS HE2 . 11312 1 587 . 1 1 58 58 LYS HE3 H 1 2.974 0.030 . 1 . . . . 58 LYS HE3 . 11312 1 588 . 1 1 58 58 LYS HG2 H 1 1.542 0.030 . 2 . . . . 58 LYS HG2 . 11312 1 589 . 1 1 58 58 LYS HG3 H 1 1.446 0.030 . 2 . . . . 58 LYS HG3 . 11312 1 590 . 1 1 58 58 LYS C C 13 177.691 0.300 . 1 . . . . 58 LYS C . 11312 1 591 . 1 1 58 58 LYS CA C 13 58.783 0.300 . 1 . . . . 58 LYS CA . 11312 1 592 . 1 1 58 58 LYS CB C 13 32.710 0.300 . 1 . . . . 58 LYS CB . 11312 1 593 . 1 1 58 58 LYS CD C 13 29.050 0.300 . 1 . . . . 58 LYS CD . 11312 1 594 . 1 1 58 58 LYS CE C 13 42.315 0.300 . 1 . . . . 58 LYS CE . 11312 1 595 . 1 1 58 58 LYS CG C 13 25.136 0.300 . 1 . . . . 58 LYS CG . 11312 1 596 . 1 1 58 58 LYS N N 15 117.560 0.300 . 1 . . . . 58 LYS N . 11312 1 597 . 1 1 59 59 LYS H H 1 7.573 0.030 . 1 . . . . 59 LYS H . 11312 1 598 . 1 1 59 59 LYS HA H 1 3.913 0.030 . 1 . . . . 59 LYS HA . 11312 1 599 . 1 1 59 59 LYS HB2 H 1 1.607 0.030 . 2 . . . . 59 LYS HB2 . 11312 1 600 . 1 1 59 59 LYS HB3 H 1 1.410 0.030 . 2 . . . . 59 LYS HB3 . 11312 1 601 . 1 1 59 59 LYS HD2 H 1 1.446 0.030 . 1 . . . . 59 LYS HD2 . 11312 1 602 . 1 1 59 59 LYS HD3 H 1 1.446 0.030 . 1 . . . . 59 LYS HD3 . 11312 1 603 . 1 1 59 59 LYS HE2 H 1 2.765 0.030 . 2 . . . . 59 LYS HE2 . 11312 1 604 . 1 1 59 59 LYS HE3 H 1 2.714 0.030 . 2 . . . . 59 LYS HE3 . 11312 1 605 . 1 1 59 59 LYS HG2 H 1 0.869 0.030 . 2 . . . . 59 LYS HG2 . 11312 1 606 . 1 1 59 59 LYS HG3 H 1 0.487 0.030 . 2 . . . . 59 LYS HG3 . 11312 1 607 . 1 1 59 59 LYS C C 13 178.069 0.300 . 1 . . . . 59 LYS C . 11312 1 608 . 1 1 59 59 LYS CA C 13 58.300 0.300 . 1 . . . . 59 LYS CA . 11312 1 609 . 1 1 59 59 LYS CB C 13 33.175 0.300 . 1 . . . . 59 LYS CB . 11312 1 610 . 1 1 59 59 LYS CD C 13 28.886 0.300 . 1 . . . . 59 LYS CD . 11312 1 611 . 1 1 59 59 LYS CE C 13 42.068 0.300 . 1 . . . . 59 LYS CE . 11312 1 612 . 1 1 59 59 LYS CG C 13 24.522 0.300 . 1 . . . . 59 LYS CG . 11312 1 613 . 1 1 59 59 LYS N N 15 117.068 0.300 . 1 . . . . 59 LYS N . 11312 1 614 . 1 1 60 60 PHE H H 1 8.073 0.030 . 1 . . . . 60 PHE H . 11312 1 615 . 1 1 60 60 PHE HA H 1 4.197 0.030 . 1 . . . . 60 PHE HA . 11312 1 616 . 1 1 60 60 PHE HB2 H 1 2.071 0.030 . 2 . . . . 60 PHE HB2 . 11312 1 617 . 1 1 60 60 PHE HB3 H 1 1.451 0.030 . 2 . . . . 60 PHE HB3 . 11312 1 618 . 1 1 60 60 PHE HD1 H 1 6.966 0.030 . 1 . . . . 60 PHE HD1 . 11312 1 619 . 1 1 60 60 PHE HD2 H 1 6.966 0.030 . 1 . . . . 60 PHE HD2 . 11312 1 620 . 1 1 60 60 PHE HE1 H 1 7.370 0.030 . 1 . . . . 60 PHE HE1 . 11312 1 621 . 1 1 60 60 PHE HE2 H 1 7.370 0.030 . 1 . . . . 60 PHE HE2 . 11312 1 622 . 1 1 60 60 PHE HZ H 1 7.305 0.030 . 1 . . . . 60 PHE HZ . 11312 1 623 . 1 1 60 60 PHE C C 13 176.021 0.300 . 1 . . . . 60 PHE C . 11312 1 624 . 1 1 60 60 PHE CA C 13 59.647 0.300 . 1 . . . . 60 PHE CA . 11312 1 625 . 1 1 60 60 PHE CB C 13 39.187 0.300 . 1 . . . . 60 PHE CB . 11312 1 626 . 1 1 60 60 PHE CD1 C 13 131.587 0.300 . 1 . . . . 60 PHE CD1 . 11312 1 627 . 1 1 60 60 PHE CD2 C 13 131.587 0.300 . 1 . . . . 60 PHE CD2 . 11312 1 628 . 1 1 60 60 PHE CE1 C 13 131.438 0.300 . 1 . . . . 60 PHE CE1 . 11312 1 629 . 1 1 60 60 PHE CE2 C 13 131.438 0.300 . 1 . . . . 60 PHE CE2 . 11312 1 630 . 1 1 60 60 PHE CZ C 13 129.670 0.300 . 1 . . . . 60 PHE CZ . 11312 1 631 . 1 1 60 60 PHE N N 15 113.342 0.300 . 1 . . . . 60 PHE N . 11312 1 632 . 1 1 61 61 HIS H H 1 7.441 0.030 . 1 . . . . 61 HIS H . 11312 1 633 . 1 1 61 61 HIS HA H 1 5.218 0.030 . 1 . . . . 61 HIS HA . 11312 1 634 . 1 1 61 61 HIS HB2 H 1 3.139 0.030 . 2 . . . . 61 HIS HB2 . 11312 1 635 . 1 1 61 61 HIS HB3 H 1 2.939 0.030 . 2 . . . . 61 HIS HB3 . 11312 1 636 . 1 1 61 61 HIS HD2 H 1 7.088 0.030 . 1 . . . . 61 HIS HD2 . 11312 1 637 . 1 1 61 61 HIS HE1 H 1 7.936 0.030 . 1 . . . . 61 HIS HE1 . 11312 1 638 . 1 1 61 61 HIS C C 13 176.262 0.300 . 1 . . . . 61 HIS C . 11312 1 639 . 1 1 61 61 HIS CA C 13 53.032 0.300 . 1 . . . . 61 HIS CA . 11312 1 640 . 1 1 61 61 HIS CB C 13 28.756 0.300 . 1 . . . . 61 HIS CB . 11312 1 641 . 1 1 61 61 HIS CD2 C 13 129.396 0.300 . 1 . . . . 61 HIS CD2 . 11312 1 642 . 1 1 61 61 HIS CE1 C 13 139.292 0.300 . 1 . . . . 61 HIS CE1 . 11312 1 643 . 1 1 61 61 HIS N N 15 116.120 0.300 . 1 . . . . 61 HIS N . 11312 1 644 . 1 1 62 62 GLY H H 1 8.226 0.030 . 1 . . . . 62 GLY H . 11312 1 645 . 1 1 62 62 GLY HA2 H 1 3.903 0.030 . 1 . . . . 62 GLY HA2 . 11312 1 646 . 1 1 62 62 GLY HA3 H 1 3.903 0.030 . 1 . . . . 62 GLY HA3 . 11312 1 647 . 1 1 62 62 GLY C C 13 174.363 0.300 . 1 . . . . 62 GLY C . 11312 1 648 . 1 1 62 62 GLY CA C 13 46.770 0.300 . 1 . . . . 62 GLY CA . 11312 1 649 . 1 1 62 62 GLY N N 15 109.559 0.300 . 1 . . . . 62 GLY N . 11312 1 650 . 1 1 63 63 ASP H H 1 8.431 0.030 . 1 . . . . 63 ASP H . 11312 1 651 . 1 1 63 63 ASP HA H 1 4.546 0.030 . 1 . . . . 63 ASP HA . 11312 1 652 . 1 1 63 63 ASP HB2 H 1 2.681 0.030 . 2 . . . . 63 ASP HB2 . 11312 1 653 . 1 1 63 63 ASP HB3 H 1 2.614 0.030 . 2 . . . . 63 ASP HB3 . 11312 1 654 . 1 1 63 63 ASP C C 13 176.544 0.300 . 1 . . . . 63 ASP C . 11312 1 655 . 1 1 63 63 ASP CA C 13 54.332 0.300 . 1 . . . . 63 ASP CA . 11312 1 656 . 1 1 63 63 ASP CB C 13 40.405 0.300 . 1 . . . . 63 ASP CB . 11312 1 657 . 1 1 63 63 ASP N N 15 118.620 0.300 . 1 . . . . 63 ASP N . 11312 1 658 . 1 1 64 64 MET H H 1 7.990 0.030 . 1 . . . . 64 MET H . 11312 1 659 . 1 1 64 64 MET HA H 1 4.542 0.030 . 1 . . . . 64 MET HA . 11312 1 660 . 1 1 64 64 MET HB2 H 1 2.027 0.030 . 2 . . . . 64 MET HB2 . 11312 1 661 . 1 1 64 64 MET HB3 H 1 1.876 0.030 . 2 . . . . 64 MET HB3 . 11312 1 662 . 1 1 64 64 MET HE1 H 1 1.895 0.030 . 1 . . . . 64 MET HE . 11312 1 663 . 1 1 64 64 MET HE2 H 1 1.895 0.030 . 1 . . . . 64 MET HE . 11312 1 664 . 1 1 64 64 MET HE3 H 1 1.895 0.030 . 1 . . . . 64 MET HE . 11312 1 665 . 1 1 64 64 MET HG2 H 1 2.323 0.030 . 2 . . . . 64 MET HG2 . 11312 1 666 . 1 1 64 64 MET HG3 H 1 2.200 0.030 . 2 . . . . 64 MET HG3 . 11312 1 667 . 1 1 64 64 MET C C 13 173.728 0.300 . 1 . . . . 64 MET C . 11312 1 668 . 1 1 64 64 MET CA C 13 54.949 0.300 . 1 . . . . 64 MET CA . 11312 1 669 . 1 1 64 64 MET CB C 13 32.308 0.300 . 1 . . . . 64 MET CB . 11312 1 670 . 1 1 64 64 MET CE C 13 16.971 0.300 . 1 . . . . 64 MET CE . 11312 1 671 . 1 1 64 64 MET CG C 13 32.070 0.300 . 1 . . . . 64 MET CG . 11312 1 672 . 1 1 64 64 MET N N 15 119.802 0.300 . 1 . . . . 64 MET N . 11312 1 stop_ save_