data_11349 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11349 _Entry.Title ; Solution structure of LIM domain in LIM-protein 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-07 _Entry.Accession_date 2010-09-07 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _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 F. He . . . 11349 2 Y. Muto . . . 11349 3 M. Inoue . . . 11349 4 T. Kigawa . . . 11349 5 M. Shirouzu . . . 11349 6 T. Terada . . . 11349 7 S. Yokoyama . . . 11349 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)' . 11349 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11349 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 11349 '15N chemical shifts' 66 11349 '1H chemical shifts' 437 11349 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 . . 2011-09-07 2010-09-07 original author . 11349 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X4K 'BMRB Entry Tracking System' 11349 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11349 _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 LIM domain in LIM-protein 3' _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 F. He . . . 11349 1 2 Y. Muto . . . 11349 1 3 M. Inoue . . . 11349 1 4 T. Kigawa . . . 11349 1 5 M. Shirouzu . . . 11349 1 6 T. Terada . . . 11349 1 7 S. Yokoyama . . . 11349 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11349 _Assembly.ID 1 _Assembly.Name 'Skeletal muscle LIM-protein 3' _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 'LIM domain' 1 $entity_1 A . yes native no no . . . 11349 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11349 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11349 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 'LIM domain' 1 CYS 8 8 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 8 CYS SG . . . . ZN 11349 1 2 coordination single . 1 'LIM domain' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11349 1 3 coordination single . 1 'LIM domain' 1 HIS 30 30 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 30 HIS ND1 . . . . ZN 11349 1 4 coordination single . 1 'LIM domain' 1 CYS 33 33 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11349 1 5 coordination single . 1 'LIM domain' 1 CYS 36 36 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 36 CYS SG . . . . ZN 11349 1 6 coordination single . 1 'LIM domain' 1 CYS 39 39 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 39 CYS SG . . . . ZN 11349 1 7 coordination single . 1 'LIM domain' 1 CYS 57 57 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 57 CYS SG . . . . ZN 11349 1 8 coordination single . 1 'LIM domain' 1 CYS 60 60 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 60 CYS SG . . . . ZN 11349 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 CYS 57 57 HG . 57 CYS HG 11349 1 . . 1 1 CYS 60 60 HG . 60 CYS HG 11349 1 . . 1 1 CYS 36 36 HG . 36 CYS HG 11349 1 . . 1 1 CYS 39 39 HG . 39 CYS HG 11349 1 . . 1 1 HIS 30 30 HD1 . 30 HIS HD1 11349 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11349 1 . . 1 1 CYS 8 8 HG . 8 CYS HG 11349 1 . . 1 1 CYS 11 11 HG . 11 CYS HG 11349 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 1x4k . . . . . . 11349 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11349 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'LIM 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 ; GSSGSSGCQECKKTIMPGTR KMEYKGSSWHETCFICHRCQ QPIGTKSFIPKDNQNFCVPC YEKQHASGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1X4K . "Solution Structure Of Lim Domain In Lim-Protein 3" . . . . . 100.00 72 100.00 100.00 1.40e-44 . . . . 11349 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'LIM domain' . 11349 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 . 11349 1 2 . SER . 11349 1 3 . SER . 11349 1 4 . GLY . 11349 1 5 . SER . 11349 1 6 . SER . 11349 1 7 . GLY . 11349 1 8 . CYS . 11349 1 9 . GLN . 11349 1 10 . GLU . 11349 1 11 . CYS . 11349 1 12 . LYS . 11349 1 13 . LYS . 11349 1 14 . THR . 11349 1 15 . ILE . 11349 1 16 . MET . 11349 1 17 . PRO . 11349 1 18 . GLY . 11349 1 19 . THR . 11349 1 20 . ARG . 11349 1 21 . LYS . 11349 1 22 . MET . 11349 1 23 . GLU . 11349 1 24 . TYR . 11349 1 25 . LYS . 11349 1 26 . GLY . 11349 1 27 . SER . 11349 1 28 . SER . 11349 1 29 . TRP . 11349 1 30 . HIS . 11349 1 31 . GLU . 11349 1 32 . THR . 11349 1 33 . CYS . 11349 1 34 . PHE . 11349 1 35 . ILE . 11349 1 36 . CYS . 11349 1 37 . HIS . 11349 1 38 . ARG . 11349 1 39 . CYS . 11349 1 40 . GLN . 11349 1 41 . GLN . 11349 1 42 . PRO . 11349 1 43 . ILE . 11349 1 44 . GLY . 11349 1 45 . THR . 11349 1 46 . LYS . 11349 1 47 . SER . 11349 1 48 . PHE . 11349 1 49 . ILE . 11349 1 50 . PRO . 11349 1 51 . LYS . 11349 1 52 . ASP . 11349 1 53 . ASN . 11349 1 54 . GLN . 11349 1 55 . ASN . 11349 1 56 . PHE . 11349 1 57 . CYS . 11349 1 58 . VAL . 11349 1 59 . PRO . 11349 1 60 . CYS . 11349 1 61 . TYR . 11349 1 62 . GLU . 11349 1 63 . LYS . 11349 1 64 . GLN . 11349 1 65 . HIS . 11349 1 66 . ALA . 11349 1 67 . SER . 11349 1 68 . GLY . 11349 1 69 . PRO . 11349 1 70 . SER . 11349 1 71 . SER . 11349 1 72 . GLY . 11349 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 11349 1 . SER 2 2 11349 1 . SER 3 3 11349 1 . GLY 4 4 11349 1 . SER 5 5 11349 1 . SER 6 6 11349 1 . GLY 7 7 11349 1 . CYS 8 8 11349 1 . GLN 9 9 11349 1 . GLU 10 10 11349 1 . CYS 11 11 11349 1 . LYS 12 12 11349 1 . LYS 13 13 11349 1 . THR 14 14 11349 1 . ILE 15 15 11349 1 . MET 16 16 11349 1 . PRO 17 17 11349 1 . GLY 18 18 11349 1 . THR 19 19 11349 1 . ARG 20 20 11349 1 . LYS 21 21 11349 1 . MET 22 22 11349 1 . GLU 23 23 11349 1 . TYR 24 24 11349 1 . LYS 25 25 11349 1 . GLY 26 26 11349 1 . SER 27 27 11349 1 . SER 28 28 11349 1 . TRP 29 29 11349 1 . HIS 30 30 11349 1 . GLU 31 31 11349 1 . THR 32 32 11349 1 . CYS 33 33 11349 1 . PHE 34 34 11349 1 . ILE 35 35 11349 1 . CYS 36 36 11349 1 . HIS 37 37 11349 1 . ARG 38 38 11349 1 . CYS 39 39 11349 1 . GLN 40 40 11349 1 . GLN 41 41 11349 1 . PRO 42 42 11349 1 . ILE 43 43 11349 1 . GLY 44 44 11349 1 . THR 45 45 11349 1 . LYS 46 46 11349 1 . SER 47 47 11349 1 . PHE 48 48 11349 1 . ILE 49 49 11349 1 . PRO 50 50 11349 1 . LYS 51 51 11349 1 . ASP 52 52 11349 1 . ASN 53 53 11349 1 . GLN 54 54 11349 1 . ASN 55 55 11349 1 . PHE 56 56 11349 1 . CYS 57 57 11349 1 . VAL 58 58 11349 1 . PRO 59 59 11349 1 . CYS 60 60 11349 1 . TYR 61 61 11349 1 . GLU 62 62 11349 1 . LYS 63 63 11349 1 . GLN 64 64 11349 1 . HIS 65 65 11349 1 . ALA 66 66 11349 1 . SER 67 67 11349 1 . GLY 68 68 11349 1 . PRO 69 69 11349 1 . SER 70 70 11349 1 . SER 71 71 11349 1 . GLY 72 72 11349 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11349 _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 . 11349 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 11349 _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 . . . . . . . . . . . . . . . . . . . . . 11349 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 11349 _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 . . . . . . . . . . . . . plasmid . . P040830-05 . . . . . . 11349 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 11349 _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 11349 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11349 ZN [Zn++] SMILES CACTVS 3.341 11349 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11349 ZN [Zn+2] SMILES ACDLabs 10.04 11349 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11349 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11349 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 11349 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11349 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 . 11349 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11349 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8mM U-15, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 100uM {ZnCl2;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'LIM domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 11349 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11349 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11349 1 4 ZnCl2 'natural abundance' . . . . . salt 100 . . uM . . . . 11349 1 5 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11349 1 6 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11349 1 7 H2O . . . . . . solvent 90 . . % . . . . 11349 1 8 D2O . . . . . . solvent 10 . . % . . . . 11349 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 11349 _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 11349 1 pH 7.0 0.05 pH 11349 1 pressure 1 0.001 atm 11349 1 temperature 298 0.1 K 11349 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11349 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11349 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11349 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11349 _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.' . . 11349 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11349 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11349 _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.' . . 11349 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11349 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11349 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11349 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11349 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11349 _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.' . . 11349 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11349 5 'structure solution' 11349 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 11349 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11349 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11349 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 11349 _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 . . . . . . . . . . . . . . . . 11349 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11349 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 11349 _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 . . . . . . . . . 11349 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11349 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11349 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 11349 _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 11349 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11349 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 . . 11349 1 2 $NMRPipe . . 11349 1 3 $NMRView . . 11349 1 4 $Kujira . . 11349 1 5 $CYANA . . 11349 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 6 6 SER HA H 1 4.464 0.030 . 1 . . . . 6 SER HA . 11349 1 2 . 1 1 6 6 SER HB2 H 1 3.783 0.030 . 1 . . . . 6 SER HB2 . 11349 1 3 . 1 1 6 6 SER HB3 H 1 3.783 0.030 . 1 . . . . 6 SER HB3 . 11349 1 4 . 1 1 6 6 SER C C 13 173.655 0.300 . 1 . . . . 6 SER C . 11349 1 5 . 1 1 6 6 SER CA C 13 58.179 0.300 . 1 . . . . 6 SER CA . 11349 1 6 . 1 1 6 6 SER CB C 13 64.185 0.300 . 1 . . . . 6 SER CB . 11349 1 7 . 1 1 7 7 GLY H H 1 8.111 0.030 . 1 . . . . 7 GLY H . 11349 1 8 . 1 1 7 7 GLY HA2 H 1 3.981 0.030 . 2 . . . . 7 GLY HA2 . 11349 1 9 . 1 1 7 7 GLY HA3 H 1 3.331 0.030 . 2 . . . . 7 GLY HA3 . 11349 1 10 . 1 1 7 7 GLY C C 13 171.879 0.300 . 1 . . . . 7 GLY C . 11349 1 11 . 1 1 7 7 GLY CA C 13 43.973 0.300 . 1 . . . . 7 GLY CA . 11349 1 12 . 1 1 7 7 GLY N N 15 109.726 0.300 . 1 . . . . 7 GLY N . 11349 1 13 . 1 1 8 8 CYS H H 1 8.029 0.030 . 1 . . . . 8 CYS H . 11349 1 14 . 1 1 8 8 CYS HA H 1 4.237 0.030 . 1 . . . . 8 CYS HA . 11349 1 15 . 1 1 8 8 CYS HB2 H 1 3.379 0.030 . 2 . . . . 8 CYS HB2 . 11349 1 16 . 1 1 8 8 CYS HB3 H 1 2.163 0.030 . 2 . . . . 8 CYS HB3 . 11349 1 17 . 1 1 8 8 CYS C C 13 177.894 0.300 . 1 . . . . 8 CYS C . 11349 1 18 . 1 1 8 8 CYS CA C 13 58.087 0.300 . 1 . . . . 8 CYS CA . 11349 1 19 . 1 1 8 8 CYS CB C 13 31.305 0.300 . 1 . . . . 8 CYS CB . 11349 1 20 . 1 1 8 8 CYS N N 15 122.845 0.300 . 1 . . . . 8 CYS N . 11349 1 21 . 1 1 9 9 GLN H H 1 8.581 0.030 . 1 . . . . 9 GLN H . 11349 1 22 . 1 1 9 9 GLN HA H 1 3.710 0.030 . 1 . . . . 9 GLN HA . 11349 1 23 . 1 1 9 9 GLN HB2 H 1 1.108 0.030 . 2 . . . . 9 GLN HB2 . 11349 1 24 . 1 1 9 9 GLN HB3 H 1 0.785 0.030 . 2 . . . . 9 GLN HB3 . 11349 1 25 . 1 1 9 9 GLN HE21 H 1 6.834 0.030 . 2 . . . . 9 GLN HE21 . 11349 1 26 . 1 1 9 9 GLN HE22 H 1 7.592 0.030 . 2 . . . . 9 GLN HE22 . 11349 1 27 . 1 1 9 9 GLN HG2 H 1 2.091 0.030 . 2 . . . . 9 GLN HG2 . 11349 1 28 . 1 1 9 9 GLN HG3 H 1 1.980 0.030 . 2 . . . . 9 GLN HG3 . 11349 1 29 . 1 1 9 9 GLN C C 13 175.674 0.300 . 1 . . . . 9 GLN C . 11349 1 30 . 1 1 9 9 GLN CA C 13 57.528 0.300 . 1 . . . . 9 GLN CA . 11349 1 31 . 1 1 9 9 GLN CB C 13 28.095 0.300 . 1 . . . . 9 GLN CB . 11349 1 32 . 1 1 9 9 GLN CG C 13 33.006 0.300 . 1 . . . . 9 GLN CG . 11349 1 33 . 1 1 9 9 GLN N N 15 130.162 0.300 . 1 . . . . 9 GLN N . 11349 1 34 . 1 1 9 9 GLN NE2 N 15 113.507 0.300 . 1 . . . . 9 GLN NE2 . 11349 1 35 . 1 1 10 10 GLU H H 1 8.381 0.030 . 1 . . . . 10 GLU H . 11349 1 36 . 1 1 10 10 GLU HA H 1 4.703 0.030 . 1 . . . . 10 GLU HA . 11349 1 37 . 1 1 10 10 GLU HB2 H 1 2.570 0.030 . 2 . . . . 10 GLU HB2 . 11349 1 38 . 1 1 10 10 GLU HB3 H 1 2.269 0.030 . 2 . . . . 10 GLU HB3 . 11349 1 39 . 1 1 10 10 GLU HG2 H 1 2.862 0.030 . 2 . . . . 10 GLU HG2 . 11349 1 40 . 1 1 10 10 GLU HG3 H 1 2.311 0.030 . 2 . . . . 10 GLU HG3 . 11349 1 41 . 1 1 10 10 GLU C C 13 176.456 0.300 . 1 . . . . 10 GLU C . 11349 1 42 . 1 1 10 10 GLU CA C 13 57.703 0.300 . 1 . . . . 10 GLU CA . 11349 1 43 . 1 1 10 10 GLU CB C 13 32.247 0.300 . 1 . . . . 10 GLU CB . 11349 1 44 . 1 1 10 10 GLU CG C 13 34.436 0.300 . 1 . . . . 10 GLU CG . 11349 1 45 . 1 1 10 10 GLU N N 15 119.398 0.300 . 1 . . . . 10 GLU N . 11349 1 46 . 1 1 11 11 CYS H H 1 8.113 0.030 . 1 . . . . 11 CYS H . 11349 1 47 . 1 1 11 11 CYS HA H 1 4.892 0.030 . 1 . . . . 11 CYS HA . 11349 1 48 . 1 1 11 11 CYS HB2 H 1 3.350 0.030 . 2 . . . . 11 CYS HB2 . 11349 1 49 . 1 1 11 11 CYS HB3 H 1 3.061 0.030 . 2 . . . . 11 CYS HB3 . 11349 1 50 . 1 1 11 11 CYS C C 13 176.010 0.300 . 1 . . . . 11 CYS C . 11349 1 51 . 1 1 11 11 CYS CA C 13 59.429 0.300 . 1 . . . . 11 CYS CA . 11349 1 52 . 1 1 11 11 CYS CB C 13 31.156 0.300 . 1 . . . . 11 CYS CB . 11349 1 53 . 1 1 11 11 CYS N N 15 116.767 0.300 . 1 . . . . 11 CYS N . 11349 1 54 . 1 1 12 12 LYS H H 1 7.733 0.030 . 1 . . . . 12 LYS H . 11349 1 55 . 1 1 12 12 LYS HA H 1 4.133 0.030 . 1 . . . . 12 LYS HA . 11349 1 56 . 1 1 12 12 LYS HB2 H 1 2.250 0.030 . 2 . . . . 12 LYS HB2 . 11349 1 57 . 1 1 12 12 LYS HB3 H 1 1.983 0.030 . 2 . . . . 12 LYS HB3 . 11349 1 58 . 1 1 12 12 LYS HD2 H 1 1.551 0.030 . 2 . . . . 12 LYS HD2 . 11349 1 59 . 1 1 12 12 LYS HD3 H 1 1.490 0.030 . 2 . . . . 12 LYS HD3 . 11349 1 60 . 1 1 12 12 LYS HE2 H 1 2.974 0.030 . 2 . . . . 12 LYS HE2 . 11349 1 61 . 1 1 12 12 LYS HE3 H 1 2.911 0.030 . 2 . . . . 12 LYS HE3 . 11349 1 62 . 1 1 12 12 LYS HG2 H 1 1.350 0.030 . 2 . . . . 12 LYS HG2 . 11349 1 63 . 1 1 12 12 LYS HG3 H 1 1.190 0.030 . 2 . . . . 12 LYS HG3 . 11349 1 64 . 1 1 12 12 LYS C C 13 175.935 0.300 . 1 . . . . 12 LYS C . 11349 1 65 . 1 1 12 12 LYS CA C 13 57.294 0.300 . 1 . . . . 12 LYS CA . 11349 1 66 . 1 1 12 12 LYS CB C 13 28.798 0.300 . 1 . . . . 12 LYS CB . 11349 1 67 . 1 1 12 12 LYS CD C 13 28.304 0.300 . 1 . . . . 12 LYS CD . 11349 1 68 . 1 1 12 12 LYS CE C 13 42.800 0.300 . 1 . . . . 12 LYS CE . 11349 1 69 . 1 1 12 12 LYS CG C 13 24.885 0.300 . 1 . . . . 12 LYS CG . 11349 1 70 . 1 1 12 12 LYS N N 15 115.059 0.300 . 1 . . . . 12 LYS N . 11349 1 71 . 1 1 13 13 LYS H H 1 8.293 0.030 . 1 . . . . 13 LYS H . 11349 1 72 . 1 1 13 13 LYS HA H 1 4.689 0.030 . 1 . . . . 13 LYS HA . 11349 1 73 . 1 1 13 13 LYS HB2 H 1 2.083 0.030 . 1 . . . . 13 LYS HB2 . 11349 1 74 . 1 1 13 13 LYS HB3 H 1 2.083 0.030 . 1 . . . . 13 LYS HB3 . 11349 1 75 . 1 1 13 13 LYS HD2 H 1 1.701 0.030 . 1 . . . . 13 LYS HD2 . 11349 1 76 . 1 1 13 13 LYS HD3 H 1 1.701 0.030 . 1 . . . . 13 LYS HD3 . 11349 1 77 . 1 1 13 13 LYS HE2 H 1 3.027 0.030 . 1 . . . . 13 LYS HE2 . 11349 1 78 . 1 1 13 13 LYS HE3 H 1 3.027 0.030 . 1 . . . . 13 LYS HE3 . 11349 1 79 . 1 1 13 13 LYS HG2 H 1 1.615 0.030 . 2 . . . . 13 LYS HG2 . 11349 1 80 . 1 1 13 13 LYS HG3 H 1 1.489 0.030 . 2 . . . . 13 LYS HG3 . 11349 1 81 . 1 1 13 13 LYS C C 13 176.559 0.300 . 1 . . . . 13 LYS C . 11349 1 82 . 1 1 13 13 LYS CA C 13 55.443 0.300 . 1 . . . . 13 LYS CA . 11349 1 83 . 1 1 13 13 LYS CB C 13 34.324 0.300 . 1 . . . . 13 LYS CB . 11349 1 84 . 1 1 13 13 LYS CD C 13 28.873 0.300 . 1 . . . . 13 LYS CD . 11349 1 85 . 1 1 13 13 LYS CE C 13 42.439 0.300 . 1 . . . . 13 LYS CE . 11349 1 86 . 1 1 13 13 LYS CG C 13 25.469 0.300 . 1 . . . . 13 LYS CG . 11349 1 87 . 1 1 13 13 LYS N N 15 120.631 0.300 . 1 . . . . 13 LYS N . 11349 1 88 . 1 1 14 14 THR H H 1 8.311 0.030 . 1 . . . . 14 THR H . 11349 1 89 . 1 1 14 14 THR HA H 1 3.930 0.030 . 1 . . . . 14 THR HA . 11349 1 90 . 1 1 14 14 THR HB H 1 3.890 0.030 . 1 . . . . 14 THR HB . 11349 1 91 . 1 1 14 14 THR HG21 H 1 1.090 0.030 . 1 . . . . 14 THR HG2 . 11349 1 92 . 1 1 14 14 THR HG22 H 1 1.090 0.030 . 1 . . . . 14 THR HG2 . 11349 1 93 . 1 1 14 14 THR HG23 H 1 1.090 0.030 . 1 . . . . 14 THR HG2 . 11349 1 94 . 1 1 14 14 THR C C 13 174.379 0.300 . 1 . . . . 14 THR C . 11349 1 95 . 1 1 14 14 THR CA C 13 64.123 0.300 . 1 . . . . 14 THR CA . 11349 1 96 . 1 1 14 14 THR CB C 13 69.797 0.300 . 1 . . . . 14 THR CB . 11349 1 97 . 1 1 14 14 THR CG2 C 13 22.354 0.300 . 1 . . . . 14 THR CG2 . 11349 1 98 . 1 1 14 14 THR N N 15 116.313 0.300 . 1 . . . . 14 THR N . 11349 1 99 . 1 1 15 15 ILE H H 1 8.678 0.030 . 1 . . . . 15 ILE H . 11349 1 100 . 1 1 15 15 ILE HA H 1 4.042 0.030 . 1 . . . . 15 ILE HA . 11349 1 101 . 1 1 15 15 ILE HB H 1 1.522 0.030 . 1 . . . . 15 ILE HB . 11349 1 102 . 1 1 15 15 ILE HD11 H 1 0.239 0.030 . 1 . . . . 15 ILE HD1 . 11349 1 103 . 1 1 15 15 ILE HD12 H 1 0.239 0.030 . 1 . . . . 15 ILE HD1 . 11349 1 104 . 1 1 15 15 ILE HD13 H 1 0.239 0.030 . 1 . . . . 15 ILE HD1 . 11349 1 105 . 1 1 15 15 ILE HG12 H 1 1.129 0.030 . 2 . . . . 15 ILE HG12 . 11349 1 106 . 1 1 15 15 ILE HG13 H 1 -0.442 0.030 . 2 . . . . 15 ILE HG13 . 11349 1 107 . 1 1 15 15 ILE HG21 H 1 0.621 0.030 . 1 . . . . 15 ILE HG2 . 11349 1 108 . 1 1 15 15 ILE HG22 H 1 0.621 0.030 . 1 . . . . 15 ILE HG2 . 11349 1 109 . 1 1 15 15 ILE HG23 H 1 0.621 0.030 . 1 . . . . 15 ILE HG2 . 11349 1 110 . 1 1 15 15 ILE C C 13 175.462 0.300 . 1 . . . . 15 ILE C . 11349 1 111 . 1 1 15 15 ILE CA C 13 60.808 0.300 . 1 . . . . 15 ILE CA . 11349 1 112 . 1 1 15 15 ILE CB C 13 37.230 0.300 . 1 . . . . 15 ILE CB . 11349 1 113 . 1 1 15 15 ILE CD1 C 13 14.490 0.300 . 1 . . . . 15 ILE CD1 . 11349 1 114 . 1 1 15 15 ILE CG1 C 13 26.562 0.300 . 1 . . . . 15 ILE CG1 . 11349 1 115 . 1 1 15 15 ILE CG2 C 13 17.693 0.300 . 1 . . . . 15 ILE CG2 . 11349 1 116 . 1 1 15 15 ILE N N 15 128.094 0.300 . 1 . . . . 15 ILE N . 11349 1 117 . 1 1 16 16 MET H H 1 9.129 0.030 . 1 . . . . 16 MET H . 11349 1 118 . 1 1 16 16 MET HA H 1 4.609 0.030 . 1 . . . . 16 MET HA . 11349 1 119 . 1 1 16 16 MET HB2 H 1 2.099 0.030 . 2 . . . . 16 MET HB2 . 11349 1 120 . 1 1 16 16 MET HB3 H 1 2.000 0.030 . 2 . . . . 16 MET HB3 . 11349 1 121 . 1 1 16 16 MET HE1 H 1 2.130 0.030 . 1 . . . . 16 MET HE . 11349 1 122 . 1 1 16 16 MET HE2 H 1 2.130 0.030 . 1 . . . . 16 MET HE . 11349 1 123 . 1 1 16 16 MET HE3 H 1 2.130 0.030 . 1 . . . . 16 MET HE . 11349 1 124 . 1 1 16 16 MET HG2 H 1 2.769 0.030 . 2 . . . . 16 MET HG2 . 11349 1 125 . 1 1 16 16 MET HG3 H 1 2.572 0.030 . 2 . . . . 16 MET HG3 . 11349 1 126 . 1 1 16 16 MET C C 13 174.777 0.300 . 1 . . . . 16 MET C . 11349 1 127 . 1 1 16 16 MET CA C 13 53.886 0.300 . 1 . . . . 16 MET CA . 11349 1 128 . 1 1 16 16 MET CB C 13 30.777 0.300 . 1 . . . . 16 MET CB . 11349 1 129 . 1 1 16 16 MET CE C 13 16.942 0.300 . 1 . . . . 16 MET CE . 11349 1 130 . 1 1 16 16 MET CG C 13 32.509 0.300 . 1 . . . . 16 MET CG . 11349 1 131 . 1 1 16 16 MET N N 15 129.550 0.300 . 1 . . . . 16 MET N . 11349 1 132 . 1 1 17 17 PRO HA H 1 4.385 0.030 . 1 . . . . 17 PRO HA . 11349 1 133 . 1 1 17 17 PRO HB2 H 1 2.326 0.030 . 2 . . . . 17 PRO HB2 . 11349 1 134 . 1 1 17 17 PRO HB3 H 1 1.880 0.030 . 2 . . . . 17 PRO HB3 . 11349 1 135 . 1 1 17 17 PRO HD2 H 1 3.934 0.030 . 2 . . . . 17 PRO HD2 . 11349 1 136 . 1 1 17 17 PRO HD3 H 1 3.655 0.030 . 2 . . . . 17 PRO HD3 . 11349 1 137 . 1 1 17 17 PRO HG2 H 1 2.124 0.030 . 2 . . . . 17 PRO HG2 . 11349 1 138 . 1 1 17 17 PRO HG3 H 1 2.015 0.030 . 2 . . . . 17 PRO HG3 . 11349 1 139 . 1 1 17 17 PRO CA C 13 64.104 0.300 . 1 . . . . 17 PRO CA . 11349 1 140 . 1 1 17 17 PRO CB C 13 31.725 0.300 . 1 . . . . 17 PRO CB . 11349 1 141 . 1 1 17 17 PRO CD C 13 50.878 0.300 . 1 . . . . 17 PRO CD . 11349 1 142 . 1 1 17 17 PRO CG C 13 27.795 0.300 . 1 . . . . 17 PRO CG . 11349 1 143 . 1 1 18 18 GLY HA2 H 1 4.217 0.030 . 2 . . . . 18 GLY HA2 . 11349 1 144 . 1 1 18 18 GLY HA3 H 1 3.730 0.030 . 2 . . . . 18 GLY HA3 . 11349 1 145 . 1 1 18 18 GLY C C 13 174.626 0.300 . 1 . . . . 18 GLY C . 11349 1 146 . 1 1 18 18 GLY CA C 13 45.363 0.300 . 1 . . . . 18 GLY CA . 11349 1 147 . 1 1 19 19 THR H H 1 7.610 0.030 . 1 . . . . 19 THR H . 11349 1 148 . 1 1 19 19 THR HA H 1 4.530 0.030 . 1 . . . . 19 THR HA . 11349 1 149 . 1 1 19 19 THR HB H 1 4.319 0.030 . 1 . . . . 19 THR HB . 11349 1 150 . 1 1 19 19 THR HG21 H 1 1.328 0.030 . 1 . . . . 19 THR HG2 . 11349 1 151 . 1 1 19 19 THR HG22 H 1 1.328 0.030 . 1 . . . . 19 THR HG2 . 11349 1 152 . 1 1 19 19 THR HG23 H 1 1.328 0.030 . 1 . . . . 19 THR HG2 . 11349 1 153 . 1 1 19 19 THR C C 13 174.228 0.300 . 1 . . . . 19 THR C . 11349 1 154 . 1 1 19 19 THR CA C 13 61.264 0.300 . 1 . . . . 19 THR CA . 11349 1 155 . 1 1 19 19 THR CB C 13 70.633 0.300 . 1 . . . . 19 THR CB . 11349 1 156 . 1 1 19 19 THR CG2 C 13 22.172 0.300 . 1 . . . . 19 THR CG2 . 11349 1 157 . 1 1 19 19 THR N N 15 112.991 0.300 . 1 . . . . 19 THR N . 11349 1 158 . 1 1 20 20 ARG H H 1 8.739 0.030 . 1 . . . . 20 ARG H . 11349 1 159 . 1 1 20 20 ARG HA H 1 4.239 0.030 . 1 . . . . 20 ARG HA . 11349 1 160 . 1 1 20 20 ARG HB2 H 1 1.798 0.030 . 1 . . . . 20 ARG HB2 . 11349 1 161 . 1 1 20 20 ARG HB3 H 1 1.798 0.030 . 1 . . . . 20 ARG HB3 . 11349 1 162 . 1 1 20 20 ARG HD2 H 1 3.275 0.030 . 2 . . . . 20 ARG HD2 . 11349 1 163 . 1 1 20 20 ARG HD3 H 1 3.208 0.030 . 2 . . . . 20 ARG HD3 . 11349 1 164 . 1 1 20 20 ARG HG2 H 1 1.774 0.030 . 2 . . . . 20 ARG HG2 . 11349 1 165 . 1 1 20 20 ARG HG3 H 1 1.612 0.030 . 2 . . . . 20 ARG HG3 . 11349 1 166 . 1 1 20 20 ARG C C 13 175.921 0.300 . 1 . . . . 20 ARG C . 11349 1 167 . 1 1 20 20 ARG CA C 13 57.742 0.300 . 1 . . . . 20 ARG CA . 11349 1 168 . 1 1 20 20 ARG CB C 13 30.317 0.300 . 1 . . . . 20 ARG CB . 11349 1 169 . 1 1 20 20 ARG CD C 13 43.134 0.300 . 1 . . . . 20 ARG CD . 11349 1 170 . 1 1 20 20 ARG CG C 13 27.839 0.300 . 1 . . . . 20 ARG CG . 11349 1 171 . 1 1 20 20 ARG N N 15 123.393 0.300 . 1 . . . . 20 ARG N . 11349 1 172 . 1 1 21 21 LYS H H 1 8.682 0.030 . 1 . . . . 21 LYS H . 11349 1 173 . 1 1 21 21 LYS HA H 1 5.129 0.030 . 1 . . . . 21 LYS HA . 11349 1 174 . 1 1 21 21 LYS HB2 H 1 1.699 0.030 . 1 . . . . 21 LYS HB2 . 11349 1 175 . 1 1 21 21 LYS HB3 H 1 1.699 0.030 . 1 . . . . 21 LYS HB3 . 11349 1 176 . 1 1 21 21 LYS HD2 H 1 1.540 0.030 . 2 . . . . 21 LYS HD2 . 11349 1 177 . 1 1 21 21 LYS HD3 H 1 1.471 0.030 . 2 . . . . 21 LYS HD3 . 11349 1 178 . 1 1 21 21 LYS HE2 H 1 2.855 0.030 . 1 . . . . 21 LYS HE2 . 11349 1 179 . 1 1 21 21 LYS HE3 H 1 2.855 0.030 . 1 . . . . 21 LYS HE3 . 11349 1 180 . 1 1 21 21 LYS HG2 H 1 1.180 0.030 . 2 . . . . 21 LYS HG2 . 11349 1 181 . 1 1 21 21 LYS HG3 H 1 1.391 0.030 . 2 . . . . 21 LYS HG3 . 11349 1 182 . 1 1 21 21 LYS C C 13 174.475 0.300 . 1 . . . . 21 LYS C . 11349 1 183 . 1 1 21 21 LYS CA C 13 54.360 0.300 . 1 . . . . 21 LYS CA . 11349 1 184 . 1 1 21 21 LYS CB C 13 36.304 0.300 . 1 . . . . 21 LYS CB . 11349 1 185 . 1 1 21 21 LYS CD C 13 29.897 0.300 . 1 . . . . 21 LYS CD . 11349 1 186 . 1 1 21 21 LYS CE C 13 42.125 0.300 . 1 . . . . 21 LYS CE . 11349 1 187 . 1 1 21 21 LYS CG C 13 23.499 0.300 . 1 . . . . 21 LYS CG . 11349 1 188 . 1 1 21 21 LYS N N 15 123.675 0.300 . 1 . . . . 21 LYS N . 11349 1 189 . 1 1 22 22 MET H H 1 8.871 0.030 . 1 . . . . 22 MET H . 11349 1 190 . 1 1 22 22 MET HA H 1 4.767 0.030 . 1 . . . . 22 MET HA . 11349 1 191 . 1 1 22 22 MET HB2 H 1 1.353 0.030 . 2 . . . . 22 MET HB2 . 11349 1 192 . 1 1 22 22 MET HB3 H 1 1.313 0.030 . 2 . . . . 22 MET HB3 . 11349 1 193 . 1 1 22 22 MET HE1 H 1 1.709 0.030 . 1 . . . . 22 MET HE . 11349 1 194 . 1 1 22 22 MET HE2 H 1 1.709 0.030 . 1 . . . . 22 MET HE . 11349 1 195 . 1 1 22 22 MET HE3 H 1 1.709 0.030 . 1 . . . . 22 MET HE . 11349 1 196 . 1 1 22 22 MET HG2 H 1 1.826 0.030 . 2 . . . . 22 MET HG2 . 11349 1 197 . 1 1 22 22 MET HG3 H 1 1.360 0.030 . 2 . . . . 22 MET HG3 . 11349 1 198 . 1 1 22 22 MET C C 13 174.427 0.300 . 1 . . . . 22 MET C . 11349 1 199 . 1 1 22 22 MET CA C 13 53.316 0.300 . 1 . . . . 22 MET CA . 11349 1 200 . 1 1 22 22 MET CB C 13 33.860 0.300 . 1 . . . . 22 MET CB . 11349 1 201 . 1 1 22 22 MET CE C 13 17.154 0.300 . 1 . . . . 22 MET CE . 11349 1 202 . 1 1 22 22 MET CG C 13 31.827 0.300 . 1 . . . . 22 MET CG . 11349 1 203 . 1 1 22 22 MET N N 15 121.319 0.300 . 1 . . . . 22 MET N . 11349 1 204 . 1 1 23 23 GLU H H 1 8.411 0.030 . 1 . . . . 23 GLU H . 11349 1 205 . 1 1 23 23 GLU HA H 1 5.470 0.030 . 1 . . . . 23 GLU HA . 11349 1 206 . 1 1 23 23 GLU HB2 H 1 2.000 0.030 . 2 . . . . 23 GLU HB2 . 11349 1 207 . 1 1 23 23 GLU HB3 H 1 1.849 0.030 . 2 . . . . 23 GLU HB3 . 11349 1 208 . 1 1 23 23 GLU HG2 H 1 2.144 0.030 . 2 . . . . 23 GLU HG2 . 11349 1 209 . 1 1 23 23 GLU HG3 H 1 2.087 0.030 . 2 . . . . 23 GLU HG3 . 11349 1 210 . 1 1 23 23 GLU C C 13 175.263 0.300 . 1 . . . . 23 GLU C . 11349 1 211 . 1 1 23 23 GLU CA C 13 54.982 0.300 . 1 . . . . 23 GLU CA . 11349 1 212 . 1 1 23 23 GLU CB C 13 33.183 0.300 . 1 . . . . 23 GLU CB . 11349 1 213 . 1 1 23 23 GLU CG C 13 36.627 0.300 . 1 . . . . 23 GLU CG . 11349 1 214 . 1 1 23 23 GLU N N 15 123.665 0.300 . 1 . . . . 23 GLU N . 11349 1 215 . 1 1 24 24 TYR H H 1 8.900 0.030 . 1 . . . . 24 TYR H . 11349 1 216 . 1 1 24 24 TYR HA H 1 4.734 0.030 . 1 . . . . 24 TYR HA . 11349 1 217 . 1 1 24 24 TYR HB2 H 1 3.029 0.030 . 2 . . . . 24 TYR HB2 . 11349 1 218 . 1 1 24 24 TYR HB3 H 1 2.987 0.030 . 2 . . . . 24 TYR HB3 . 11349 1 219 . 1 1 24 24 TYR HD1 H 1 7.330 0.030 . 1 . . . . 24 TYR HD1 . 11349 1 220 . 1 1 24 24 TYR HD2 H 1 7.330 0.030 . 1 . . . . 24 TYR HD2 . 11349 1 221 . 1 1 24 24 TYR HE1 H 1 6.941 0.030 . 1 . . . . 24 TYR HE1 . 11349 1 222 . 1 1 24 24 TYR HE2 H 1 6.941 0.030 . 1 . . . . 24 TYR HE2 . 11349 1 223 . 1 1 24 24 TYR C C 13 174.365 0.300 . 1 . . . . 24 TYR C . 11349 1 224 . 1 1 24 24 TYR CA C 13 58.860 0.300 . 1 . . . . 24 TYR CA . 11349 1 225 . 1 1 24 24 TYR CB C 13 40.963 0.300 . 1 . . . . 24 TYR CB . 11349 1 226 . 1 1 24 24 TYR CD1 C 13 133.380 0.300 . 1 . . . . 24 TYR CD1 . 11349 1 227 . 1 1 24 24 TYR CD2 C 13 133.380 0.300 . 1 . . . . 24 TYR CD2 . 11349 1 228 . 1 1 24 24 TYR CE1 C 13 118.623 0.300 . 1 . . . . 24 TYR CE1 . 11349 1 229 . 1 1 24 24 TYR CE2 C 13 118.623 0.300 . 1 . . . . 24 TYR CE2 . 11349 1 230 . 1 1 24 24 TYR N N 15 123.200 0.300 . 1 . . . . 24 TYR N . 11349 1 231 . 1 1 25 25 LYS H H 1 9.149 0.030 . 1 . . . . 25 LYS H . 11349 1 232 . 1 1 25 25 LYS HA H 1 3.623 0.030 . 1 . . . . 25 LYS HA . 11349 1 233 . 1 1 25 25 LYS HB2 H 1 1.803 0.030 . 2 . . . . 25 LYS HB2 . 11349 1 234 . 1 1 25 25 LYS HB3 H 1 1.343 0.030 . 2 . . . . 25 LYS HB3 . 11349 1 235 . 1 1 25 25 LYS HD2 H 1 1.500 0.030 . 1 . . . . 25 LYS HD2 . 11349 1 236 . 1 1 25 25 LYS HD3 H 1 1.500 0.030 . 1 . . . . 25 LYS HD3 . 11349 1 237 . 1 1 25 25 LYS HE2 H 1 2.917 0.030 . 1 . . . . 25 LYS HE2 . 11349 1 238 . 1 1 25 25 LYS HE3 H 1 2.917 0.030 . 1 . . . . 25 LYS HE3 . 11349 1 239 . 1 1 25 25 LYS HG2 H 1 0.801 0.030 . 2 . . . . 25 LYS HG2 . 11349 1 240 . 1 1 25 25 LYS HG3 H 1 0.591 0.030 . 2 . . . . 25 LYS HG3 . 11349 1 241 . 1 1 25 25 LYS C C 13 176.161 0.300 . 1 . . . . 25 LYS C . 11349 1 242 . 1 1 25 25 LYS CA C 13 57.290 0.300 . 1 . . . . 25 LYS CA . 11349 1 243 . 1 1 25 25 LYS CB C 13 30.736 0.300 . 1 . . . . 25 LYS CB . 11349 1 244 . 1 1 25 25 LYS CD C 13 29.442 0.300 . 1 . . . . 25 LYS CD . 11349 1 245 . 1 1 25 25 LYS CE C 13 42.230 0.300 . 1 . . . . 25 LYS CE . 11349 1 246 . 1 1 25 25 LYS CG C 13 25.162 0.300 . 1 . . . . 25 LYS CG . 11349 1 247 . 1 1 25 25 LYS N N 15 127.460 0.300 . 1 . . . . 25 LYS N . 11349 1 248 . 1 1 26 26 GLY H H 1 8.672 0.030 . 1 . . . . 26 GLY H . 11349 1 249 . 1 1 26 26 GLY HA2 H 1 4.161 0.030 . 2 . . . . 26 GLY HA2 . 11349 1 250 . 1 1 26 26 GLY HA3 H 1 3.630 0.030 . 2 . . . . 26 GLY HA3 . 11349 1 251 . 1 1 26 26 GLY C C 13 174.797 0.300 . 1 . . . . 26 GLY C . 11349 1 252 . 1 1 26 26 GLY CA C 13 45.655 0.300 . 1 . . . . 26 GLY CA . 11349 1 253 . 1 1 26 26 GLY N N 15 106.045 0.300 . 1 . . . . 26 GLY N . 11349 1 254 . 1 1 27 27 SER H H 1 8.041 0.030 . 1 . . . . 27 SER H . 11349 1 255 . 1 1 27 27 SER HA H 1 4.608 0.030 . 1 . . . . 27 SER HA . 11349 1 256 . 1 1 27 27 SER HB2 H 1 3.790 0.030 . 2 . . . . 27 SER HB2 . 11349 1 257 . 1 1 27 27 SER HB3 H 1 3.030 0.030 . 2 . . . . 27 SER HB3 . 11349 1 258 . 1 1 27 27 SER C C 13 172.118 0.300 . 1 . . . . 27 SER C . 11349 1 259 . 1 1 27 27 SER CA C 13 58.000 0.300 . 1 . . . . 27 SER CA . 11349 1 260 . 1 1 27 27 SER CB C 13 65.733 0.300 . 1 . . . . 27 SER CB . 11349 1 261 . 1 1 27 27 SER N N 15 118.277 0.300 . 1 . . . . 27 SER N . 11349 1 262 . 1 1 28 28 SER H H 1 8.420 0.030 . 1 . . . . 28 SER H . 11349 1 263 . 1 1 28 28 SER HA H 1 5.599 0.030 . 1 . . . . 28 SER HA . 11349 1 264 . 1 1 28 28 SER HB2 H 1 3.411 0.030 . 2 . . . . 28 SER HB2 . 11349 1 265 . 1 1 28 28 SER HB3 H 1 3.350 0.030 . 2 . . . . 28 SER HB3 . 11349 1 266 . 1 1 28 28 SER C C 13 171.597 0.300 . 1 . . . . 28 SER C . 11349 1 267 . 1 1 28 28 SER CA C 13 57.721 0.300 . 1 . . . . 28 SER CA . 11349 1 268 . 1 1 28 28 SER CB C 13 66.552 0.300 . 1 . . . . 28 SER CB . 11349 1 269 . 1 1 28 28 SER N N 15 117.001 0.300 . 1 . . . . 28 SER N . 11349 1 270 . 1 1 29 29 TRP H H 1 9.159 0.030 . 1 . . . . 29 TRP H . 11349 1 271 . 1 1 29 29 TRP HA H 1 5.881 0.030 . 1 . . . . 29 TRP HA . 11349 1 272 . 1 1 29 29 TRP HB2 H 1 3.468 0.030 . 2 . . . . 29 TRP HB2 . 11349 1 273 . 1 1 29 29 TRP HB3 H 1 2.680 0.030 . 2 . . . . 29 TRP HB3 . 11349 1 274 . 1 1 29 29 TRP HD1 H 1 7.099 0.030 . 1 . . . . 29 TRP HD1 . 11349 1 275 . 1 1 29 29 TRP HE1 H 1 10.929 0.030 . 1 . . . . 29 TRP HE1 . 11349 1 276 . 1 1 29 29 TRP HE3 H 1 7.306 0.030 . 1 . . . . 29 TRP HE3 . 11349 1 277 . 1 1 29 29 TRP HH2 H 1 7.367 0.030 . 1 . . . . 29 TRP HH2 . 11349 1 278 . 1 1 29 29 TRP HZ2 H 1 7.530 0.030 . 1 . . . . 29 TRP HZ2 . 11349 1 279 . 1 1 29 29 TRP HZ3 H 1 7.104 0.030 . 1 . . . . 29 TRP HZ3 . 11349 1 280 . 1 1 29 29 TRP C C 13 178.449 0.300 . 1 . . . . 29 TRP C . 11349 1 281 . 1 1 29 29 TRP CA C 13 56.941 0.300 . 1 . . . . 29 TRP CA . 11349 1 282 . 1 1 29 29 TRP CB C 13 35.505 0.300 . 1 . . . . 29 TRP CB . 11349 1 283 . 1 1 29 29 TRP CD1 C 13 126.779 0.300 . 1 . . . . 29 TRP CD1 . 11349 1 284 . 1 1 29 29 TRP CE3 C 13 121.693 0.300 . 1 . . . . 29 TRP CE3 . 11349 1 285 . 1 1 29 29 TRP CH2 C 13 124.300 0.300 . 1 . . . . 29 TRP CH2 . 11349 1 286 . 1 1 29 29 TRP CZ2 C 13 114.190 0.300 . 1 . . . . 29 TRP CZ2 . 11349 1 287 . 1 1 29 29 TRP CZ3 C 13 123.017 0.300 . 1 . . . . 29 TRP CZ3 . 11349 1 288 . 1 1 29 29 TRP N N 15 121.094 0.300 . 1 . . . . 29 TRP N . 11349 1 289 . 1 1 29 29 TRP NE1 N 15 129.957 0.300 . 1 . . . . 29 TRP NE1 . 11349 1 290 . 1 1 30 30 HIS H H 1 8.913 0.030 . 1 . . . . 30 HIS H . 11349 1 291 . 1 1 30 30 HIS HA H 1 4.521 0.030 . 1 . . . . 30 HIS HA . 11349 1 292 . 1 1 30 30 HIS HB2 H 1 3.690 0.030 . 2 . . . . 30 HIS HB2 . 11349 1 293 . 1 1 30 30 HIS HB3 H 1 3.589 0.030 . 2 . . . . 30 HIS HB3 . 11349 1 294 . 1 1 30 30 HIS HD2 H 1 7.609 0.030 . 1 . . . . 30 HIS HD2 . 11349 1 295 . 1 1 30 30 HIS HE1 H 1 7.224 0.030 . 1 . . . . 30 HIS HE1 . 11349 1 296 . 1 1 30 30 HIS C C 13 178.415 0.300 . 1 . . . . 30 HIS C . 11349 1 297 . 1 1 30 30 HIS CA C 13 60.075 0.300 . 1 . . . . 30 HIS CA . 11349 1 298 . 1 1 30 30 HIS CB C 13 30.794 0.300 . 1 . . . . 30 HIS CB . 11349 1 299 . 1 1 30 30 HIS CD2 C 13 119.692 0.300 . 1 . . . . 30 HIS CD2 . 11349 1 300 . 1 1 30 30 HIS CE1 C 13 138.567 0.300 . 1 . . . . 30 HIS CE1 . 11349 1 301 . 1 1 30 30 HIS N N 15 120.381 0.300 . 1 . . . . 30 HIS N . 11349 1 302 . 1 1 31 31 GLU H H 1 8.661 0.030 . 1 . . . . 31 GLU H . 11349 1 303 . 1 1 31 31 GLU HA H 1 3.860 0.030 . 1 . . . . 31 GLU HA . 11349 1 304 . 1 1 31 31 GLU HB2 H 1 2.080 0.030 . 2 . . . . 31 GLU HB2 . 11349 1 305 . 1 1 31 31 GLU HB3 H 1 1.880 0.030 . 2 . . . . 31 GLU HB3 . 11349 1 306 . 1 1 31 31 GLU HG2 H 1 2.233 0.030 . 2 . . . . 31 GLU HG2 . 11349 1 307 . 1 1 31 31 GLU HG3 H 1 2.149 0.030 . 2 . . . . 31 GLU HG3 . 11349 1 308 . 1 1 31 31 GLU C C 13 178.552 0.300 . 1 . . . . 31 GLU C . 11349 1 309 . 1 1 31 31 GLU CA C 13 61.410 0.300 . 1 . . . . 31 GLU CA . 11349 1 310 . 1 1 31 31 GLU CB C 13 29.848 0.300 . 1 . . . . 31 GLU CB . 11349 1 311 . 1 1 31 31 GLU CG C 13 36.596 0.300 . 1 . . . . 31 GLU CG . 11349 1 312 . 1 1 31 31 GLU N N 15 126.025 0.300 . 1 . . . . 31 GLU N . 11349 1 313 . 1 1 32 32 THR H H 1 7.988 0.030 . 1 . . . . 32 THR H . 11349 1 314 . 1 1 32 32 THR HA H 1 4.010 0.030 . 1 . . . . 32 THR HA . 11349 1 315 . 1 1 32 32 THR HB H 1 4.419 0.030 . 1 . . . . 32 THR HB . 11349 1 316 . 1 1 32 32 THR HG21 H 1 1.288 0.030 . 1 . . . . 32 THR HG2 . 11349 1 317 . 1 1 32 32 THR HG22 H 1 1.288 0.030 . 1 . . . . 32 THR HG2 . 11349 1 318 . 1 1 32 32 THR HG23 H 1 1.288 0.030 . 1 . . . . 32 THR HG2 . 11349 1 319 . 1 1 32 32 THR C C 13 176.959 0.300 . 1 . . . . 32 THR C . 11349 1 320 . 1 1 32 32 THR CA C 13 63.457 0.300 . 1 . . . . 32 THR CA . 11349 1 321 . 1 1 32 32 THR CB C 13 68.554 0.300 . 1 . . . . 32 THR CB . 11349 1 322 . 1 1 32 32 THR CG2 C 13 22.489 0.300 . 1 . . . . 32 THR CG2 . 11349 1 323 . 1 1 32 32 THR N N 15 104.548 0.300 . 1 . . . . 32 THR N . 11349 1 324 . 1 1 33 33 CYS H H 1 7.529 0.030 . 1 . . . . 33 CYS H . 11349 1 325 . 1 1 33 33 CYS HA H 1 4.390 0.030 . 1 . . . . 33 CYS HA . 11349 1 326 . 1 1 33 33 CYS HB2 H 1 3.489 0.030 . 2 . . . . 33 CYS HB2 . 11349 1 327 . 1 1 33 33 CYS HB3 H 1 3.250 0.030 . 2 . . . . 33 CYS HB3 . 11349 1 328 . 1 1 33 33 CYS C C 13 173.844 0.300 . 1 . . . . 33 CYS C . 11349 1 329 . 1 1 33 33 CYS CA C 13 60.652 0.300 . 1 . . . . 33 CYS CA . 11349 1 330 . 1 1 33 33 CYS CB C 13 31.971 0.300 . 1 . . . . 33 CYS CB . 11349 1 331 . 1 1 33 33 CYS N N 15 117.452 0.300 . 1 . . . . 33 CYS N . 11349 1 332 . 1 1 34 34 PHE H H 1 7.240 0.030 . 1 . . . . 34 PHE H . 11349 1 333 . 1 1 34 34 PHE HA H 1 4.139 0.030 . 1 . . . . 34 PHE HA . 11349 1 334 . 1 1 34 34 PHE HB2 H 1 3.129 0.030 . 2 . . . . 34 PHE HB2 . 11349 1 335 . 1 1 34 34 PHE HB3 H 1 2.211 0.030 . 2 . . . . 34 PHE HB3 . 11349 1 336 . 1 1 34 34 PHE HD1 H 1 5.850 0.030 . 1 . . . . 34 PHE HD1 . 11349 1 337 . 1 1 34 34 PHE HD2 H 1 5.850 0.030 . 1 . . . . 34 PHE HD2 . 11349 1 338 . 1 1 34 34 PHE HE1 H 1 5.621 0.030 . 1 . . . . 34 PHE HE1 . 11349 1 339 . 1 1 34 34 PHE HE2 H 1 5.621 0.030 . 1 . . . . 34 PHE HE2 . 11349 1 340 . 1 1 34 34 PHE HZ H 1 5.150 0.030 . 1 . . . . 34 PHE HZ . 11349 1 341 . 1 1 34 34 PHE C C 13 173.290 0.300 . 1 . . . . 34 PHE C . 11349 1 342 . 1 1 34 34 PHE CA C 13 57.125 0.300 . 1 . . . . 34 PHE CA . 11349 1 343 . 1 1 34 34 PHE CB C 13 37.173 0.300 . 1 . . . . 34 PHE CB . 11349 1 344 . 1 1 34 34 PHE CD1 C 13 130.963 0.300 . 1 . . . . 34 PHE CD1 . 11349 1 345 . 1 1 34 34 PHE CD2 C 13 130.963 0.300 . 1 . . . . 34 PHE CD2 . 11349 1 346 . 1 1 34 34 PHE CE1 C 13 130.278 0.300 . 1 . . . . 34 PHE CE1 . 11349 1 347 . 1 1 34 34 PHE CE2 C 13 130.278 0.300 . 1 . . . . 34 PHE CE2 . 11349 1 348 . 1 1 34 34 PHE CZ C 13 128.521 0.300 . 1 . . . . 34 PHE CZ . 11349 1 349 . 1 1 34 34 PHE N N 15 123.955 0.300 . 1 . . . . 34 PHE N . 11349 1 350 . 1 1 35 35 ILE H H 1 7.060 0.030 . 1 . . . . 35 ILE H . 11349 1 351 . 1 1 35 35 ILE HA H 1 4.400 0.030 . 1 . . . . 35 ILE HA . 11349 1 352 . 1 1 35 35 ILE HB H 1 1.099 0.030 . 1 . . . . 35 ILE HB . 11349 1 353 . 1 1 35 35 ILE HD11 H 1 0.598 0.030 . 1 . . . . 35 ILE HD1 . 11349 1 354 . 1 1 35 35 ILE HD12 H 1 0.598 0.030 . 1 . . . . 35 ILE HD1 . 11349 1 355 . 1 1 35 35 ILE HD13 H 1 0.598 0.030 . 1 . . . . 35 ILE HD1 . 11349 1 356 . 1 1 35 35 ILE HG12 H 1 0.741 0.030 . 1 . . . . 35 ILE HG12 . 11349 1 357 . 1 1 35 35 ILE HG13 H 1 0.741 0.030 . 1 . . . . 35 ILE HG13 . 11349 1 358 . 1 1 35 35 ILE HG21 H 1 0.423 0.030 . 1 . . . . 35 ILE HG2 . 11349 1 359 . 1 1 35 35 ILE HG22 H 1 0.423 0.030 . 1 . . . . 35 ILE HG2 . 11349 1 360 . 1 1 35 35 ILE HG23 H 1 0.423 0.030 . 1 . . . . 35 ILE HG2 . 11349 1 361 . 1 1 35 35 ILE C C 13 174.262 0.300 . 1 . . . . 35 ILE C . 11349 1 362 . 1 1 35 35 ILE CA C 13 58.577 0.300 . 1 . . . . 35 ILE CA . 11349 1 363 . 1 1 35 35 ILE CB C 13 41.911 0.300 . 1 . . . . 35 ILE CB . 11349 1 364 . 1 1 35 35 ILE CD1 C 13 13.471 0.300 . 1 . . . . 35 ILE CD1 . 11349 1 365 . 1 1 35 35 ILE CG1 C 13 24.634 0.300 . 1 . . . . 35 ILE CG1 . 11349 1 366 . 1 1 35 35 ILE CG2 C 13 17.152 0.300 . 1 . . . . 35 ILE CG2 . 11349 1 367 . 1 1 35 35 ILE N N 15 118.045 0.300 . 1 . . . . 35 ILE N . 11349 1 368 . 1 1 36 36 CYS H H 1 7.659 0.030 . 1 . . . . 36 CYS H . 11349 1 369 . 1 1 36 36 CYS HA H 1 4.139 0.030 . 1 . . . . 36 CYS HA . 11349 1 370 . 1 1 36 36 CYS HB2 H 1 3.382 0.030 . 2 . . . . 36 CYS HB2 . 11349 1 371 . 1 1 36 36 CYS HB3 H 1 2.591 0.030 . 2 . . . . 36 CYS HB3 . 11349 1 372 . 1 1 36 36 CYS C C 13 177.127 0.300 . 1 . . . . 36 CYS C . 11349 1 373 . 1 1 36 36 CYS CA C 13 57.809 0.300 . 1 . . . . 36 CYS CA . 11349 1 374 . 1 1 36 36 CYS CB C 13 31.407 0.300 . 1 . . . . 36 CYS CB . 11349 1 375 . 1 1 36 36 CYS N N 15 122.560 0.300 . 1 . . . . 36 CYS N . 11349 1 376 . 1 1 37 37 HIS H H 1 8.911 0.030 . 1 . . . . 37 HIS H . 11349 1 377 . 1 1 37 37 HIS HA H 1 4.064 0.030 . 1 . . . . 37 HIS HA . 11349 1 378 . 1 1 37 37 HIS HB2 H 1 2.663 0.030 . 2 . . . . 37 HIS HB2 . 11349 1 379 . 1 1 37 37 HIS HB3 H 1 2.602 0.030 . 2 . . . . 37 HIS HB3 . 11349 1 380 . 1 1 37 37 HIS HD2 H 1 7.051 0.030 . 1 . . . . 37 HIS HD2 . 11349 1 381 . 1 1 37 37 HIS HE1 H 1 7.847 0.030 . 1 . . . . 37 HIS HE1 . 11349 1 382 . 1 1 37 37 HIS C C 13 175.222 0.300 . 1 . . . . 37 HIS C . 11349 1 383 . 1 1 37 37 HIS CA C 13 60.292 0.300 . 1 . . . . 37 HIS CA . 11349 1 384 . 1 1 37 37 HIS CB C 13 30.685 0.300 . 1 . . . . 37 HIS CB . 11349 1 385 . 1 1 37 37 HIS CD2 C 13 118.928 0.300 . 1 . . . . 37 HIS CD2 . 11349 1 386 . 1 1 37 37 HIS CE1 C 13 138.103 0.300 . 1 . . . . 37 HIS CE1 . 11349 1 387 . 1 1 37 37 HIS N N 15 128.702 0.300 . 1 . . . . 37 HIS N . 11349 1 388 . 1 1 38 38 ARG H H 1 9.021 0.030 . 1 . . . . 38 ARG H . 11349 1 389 . 1 1 38 38 ARG HA H 1 4.539 0.030 . 1 . . . . 38 ARG HA . 11349 1 390 . 1 1 38 38 ARG HB2 H 1 2.509 0.030 . 2 . . . . 38 ARG HB2 . 11349 1 391 . 1 1 38 38 ARG HB3 H 1 1.892 0.030 . 2 . . . . 38 ARG HB3 . 11349 1 392 . 1 1 38 38 ARG HD2 H 1 3.288 0.030 . 2 . . . . 38 ARG HD2 . 11349 1 393 . 1 1 38 38 ARG HD3 H 1 3.248 0.030 . 2 . . . . 38 ARG HD3 . 11349 1 394 . 1 1 38 38 ARG HG2 H 1 1.667 0.030 . 1 . . . . 38 ARG HG2 . 11349 1 395 . 1 1 38 38 ARG HG3 H 1 1.667 0.030 . 1 . . . . 38 ARG HG3 . 11349 1 396 . 1 1 38 38 ARG C C 13 176.613 0.300 . 1 . . . . 38 ARG C . 11349 1 397 . 1 1 38 38 ARG CA C 13 58.345 0.300 . 1 . . . . 38 ARG CA . 11349 1 398 . 1 1 38 38 ARG CB C 13 30.255 0.300 . 1 . . . . 38 ARG CB . 11349 1 399 . 1 1 38 38 ARG CD C 13 42.811 0.300 . 1 . . . . 38 ARG CD . 11349 1 400 . 1 1 38 38 ARG CG C 13 28.111 0.300 . 1 . . . . 38 ARG CG . 11349 1 401 . 1 1 38 38 ARG N N 15 120.891 0.300 . 1 . . . . 38 ARG N . 11349 1 402 . 1 1 39 39 CYS H H 1 8.490 0.030 . 1 . . . . 39 CYS H . 11349 1 403 . 1 1 39 39 CYS HA H 1 4.705 0.030 . 1 . . . . 39 CYS HA . 11349 1 404 . 1 1 39 39 CYS HB2 H 1 3.240 0.030 . 2 . . . . 39 CYS HB2 . 11349 1 405 . 1 1 39 39 CYS HB3 H 1 2.740 0.030 . 2 . . . . 39 CYS HB3 . 11349 1 406 . 1 1 39 39 CYS C C 13 176.229 0.300 . 1 . . . . 39 CYS C . 11349 1 407 . 1 1 39 39 CYS CA C 13 59.916 0.300 . 1 . . . . 39 CYS CA . 11349 1 408 . 1 1 39 39 CYS CB C 13 31.863 0.300 . 1 . . . . 39 CYS CB . 11349 1 409 . 1 1 39 39 CYS N N 15 118.981 0.300 . 1 . . . . 39 CYS N . 11349 1 410 . 1 1 40 40 GLN H H 1 7.901 0.030 . 1 . . . . 40 GLN H . 11349 1 411 . 1 1 40 40 GLN HA H 1 4.019 0.030 . 1 . . . . 40 GLN HA . 11349 1 412 . 1 1 40 40 GLN HB2 H 1 2.330 0.030 . 2 . . . . 40 GLN HB2 . 11349 1 413 . 1 1 40 40 GLN HB3 H 1 2.261 0.030 . 2 . . . . 40 GLN HB3 . 11349 1 414 . 1 1 40 40 GLN HE21 H 1 7.065 0.030 . 2 . . . . 40 GLN HE21 . 11349 1 415 . 1 1 40 40 GLN HE22 H 1 6.600 0.030 . 2 . . . . 40 GLN HE22 . 11349 1 416 . 1 1 40 40 GLN HG2 H 1 2.140 0.030 . 2 . . . . 40 GLN HG2 . 11349 1 417 . 1 1 40 40 GLN HG3 H 1 2.009 0.030 . 2 . . . . 40 GLN HG3 . 11349 1 418 . 1 1 40 40 GLN C C 13 174.050 0.300 . 1 . . . . 40 GLN C . 11349 1 419 . 1 1 40 40 GLN CA C 13 57.472 0.300 . 1 . . . . 40 GLN CA . 11349 1 420 . 1 1 40 40 GLN CB C 13 25.556 0.300 . 1 . . . . 40 GLN CB . 11349 1 421 . 1 1 40 40 GLN CG C 13 34.132 0.300 . 1 . . . . 40 GLN CG . 11349 1 422 . 1 1 40 40 GLN N N 15 115.738 0.300 . 1 . . . . 40 GLN N . 11349 1 423 . 1 1 40 40 GLN NE2 N 15 112.847 0.300 . 1 . . . . 40 GLN NE2 . 11349 1 424 . 1 1 41 41 GLN H H 1 7.960 0.030 . 1 . . . . 41 GLN H . 11349 1 425 . 1 1 41 41 GLN HA H 1 4.688 0.030 . 1 . . . . 41 GLN HA . 11349 1 426 . 1 1 41 41 GLN HB2 H 1 2.076 0.030 . 2 . . . . 41 GLN HB2 . 11349 1 427 . 1 1 41 41 GLN HB3 H 1 2.047 0.030 . 2 . . . . 41 GLN HB3 . 11349 1 428 . 1 1 41 41 GLN HE21 H 1 7.450 0.030 . 2 . . . . 41 GLN HE21 . 11349 1 429 . 1 1 41 41 GLN HE22 H 1 6.898 0.030 . 2 . . . . 41 GLN HE22 . 11349 1 430 . 1 1 41 41 GLN HG2 H 1 2.427 0.030 . 2 . . . . 41 GLN HG2 . 11349 1 431 . 1 1 41 41 GLN HG3 H 1 2.398 0.030 . 2 . . . . 41 GLN HG3 . 11349 1 432 . 1 1 41 41 GLN C C 13 174.818 0.300 . 1 . . . . 41 GLN C . 11349 1 433 . 1 1 41 41 GLN CA C 13 53.321 0.300 . 1 . . . . 41 GLN CA . 11349 1 434 . 1 1 41 41 GLN CB C 13 28.437 0.300 . 1 . . . . 41 GLN CB . 11349 1 435 . 1 1 41 41 GLN CG C 13 33.932 0.300 . 1 . . . . 41 GLN CG . 11349 1 436 . 1 1 41 41 GLN N N 15 118.109 0.300 . 1 . . . . 41 GLN N . 11349 1 437 . 1 1 41 41 GLN NE2 N 15 113.683 0.300 . 1 . . . . 41 GLN NE2 . 11349 1 438 . 1 1 42 42 PRO HA H 1 4.367 0.030 . 1 . . . . 42 PRO HA . 11349 1 439 . 1 1 42 42 PRO HB2 H 1 2.301 0.030 . 2 . . . . 42 PRO HB2 . 11349 1 440 . 1 1 42 42 PRO HB3 H 1 1.826 0.030 . 2 . . . . 42 PRO HB3 . 11349 1 441 . 1 1 42 42 PRO HD2 H 1 3.858 0.030 . 2 . . . . 42 PRO HD2 . 11349 1 442 . 1 1 42 42 PRO HD3 H 1 3.619 0.030 . 2 . . . . 42 PRO HD3 . 11349 1 443 . 1 1 42 42 PRO HG2 H 1 2.127 0.030 . 2 . . . . 42 PRO HG2 . 11349 1 444 . 1 1 42 42 PRO HG3 H 1 1.930 0.030 . 2 . . . . 42 PRO HG3 . 11349 1 445 . 1 1 42 42 PRO C C 13 177.199 0.300 . 1 . . . . 42 PRO C . 11349 1 446 . 1 1 42 42 PRO CA C 13 63.341 0.300 . 1 . . . . 42 PRO CA . 11349 1 447 . 1 1 42 42 PRO CB C 13 31.707 0.300 . 1 . . . . 42 PRO CB . 11349 1 448 . 1 1 42 42 PRO CD C 13 50.802 0.300 . 1 . . . . 42 PRO CD . 11349 1 449 . 1 1 42 42 PRO CG C 13 27.782 0.300 . 1 . . . . 42 PRO CG . 11349 1 450 . 1 1 43 43 ILE H H 1 8.303 0.030 . 1 . . . . 43 ILE H . 11349 1 451 . 1 1 43 43 ILE HA H 1 3.674 0.030 . 1 . . . . 43 ILE HA . 11349 1 452 . 1 1 43 43 ILE HB H 1 1.240 0.030 . 1 . . . . 43 ILE HB . 11349 1 453 . 1 1 43 43 ILE HD11 H 1 -0.453 0.030 . 1 . . . . 43 ILE HD1 . 11349 1 454 . 1 1 43 43 ILE HD12 H 1 -0.453 0.030 . 1 . . . . 43 ILE HD1 . 11349 1 455 . 1 1 43 43 ILE HD13 H 1 -0.453 0.030 . 1 . . . . 43 ILE HD1 . 11349 1 456 . 1 1 43 43 ILE HG12 H 1 0.762 0.030 . 2 . . . . 43 ILE HG12 . 11349 1 457 . 1 1 43 43 ILE HG13 H 1 0.345 0.030 . 2 . . . . 43 ILE HG13 . 11349 1 458 . 1 1 43 43 ILE HG21 H 1 0.568 0.030 . 1 . . . . 43 ILE HG2 . 11349 1 459 . 1 1 43 43 ILE HG22 H 1 0.568 0.030 . 1 . . . . 43 ILE HG2 . 11349 1 460 . 1 1 43 43 ILE HG23 H 1 0.568 0.030 . 1 . . . . 43 ILE HG2 . 11349 1 461 . 1 1 43 43 ILE C C 13 177.380 0.300 . 1 . . . . 43 ILE C . 11349 1 462 . 1 1 43 43 ILE CA C 13 62.551 0.300 . 1 . . . . 43 ILE CA . 11349 1 463 . 1 1 43 43 ILE CB C 13 38.624 0.300 . 1 . . . . 43 ILE CB . 11349 1 464 . 1 1 43 43 ILE CD1 C 13 11.684 0.300 . 1 . . . . 43 ILE CD1 . 11349 1 465 . 1 1 43 43 ILE CG1 C 13 29.080 0.300 . 1 . . . . 43 ILE CG1 . 11349 1 466 . 1 1 43 43 ILE CG2 C 13 18.541 0.300 . 1 . . . . 43 ILE CG2 . 11349 1 467 . 1 1 43 43 ILE N N 15 125.311 0.300 . 1 . . . . 43 ILE N . 11349 1 468 . 1 1 44 44 GLY H H 1 8.740 0.030 . 1 . . . . 44 GLY H . 11349 1 469 . 1 1 44 44 GLY HA2 H 1 3.966 0.030 . 2 . . . . 44 GLY HA2 . 11349 1 470 . 1 1 44 44 GLY HA3 H 1 3.818 0.030 . 2 . . . . 44 GLY HA3 . 11349 1 471 . 1 1 44 44 GLY C C 13 175.243 0.300 . 1 . . . . 44 GLY C . 11349 1 472 . 1 1 44 44 GLY CA C 13 46.335 0.300 . 1 . . . . 44 GLY CA . 11349 1 473 . 1 1 44 44 GLY N N 15 108.786 0.300 . 1 . . . . 44 GLY N . 11349 1 474 . 1 1 45 45 THR H H 1 8.420 0.030 . 1 . . . . 45 THR H . 11349 1 475 . 1 1 45 45 THR HA H 1 4.390 0.030 . 1 . . . . 45 THR HA . 11349 1 476 . 1 1 45 45 THR HB H 1 4.580 0.030 . 1 . . . . 45 THR HB . 11349 1 477 . 1 1 45 45 THR HG21 H 1 1.180 0.030 . 1 . . . . 45 THR HG2 . 11349 1 478 . 1 1 45 45 THR HG22 H 1 1.180 0.030 . 1 . . . . 45 THR HG2 . 11349 1 479 . 1 1 45 45 THR HG23 H 1 1.180 0.030 . 1 . . . . 45 THR HG2 . 11349 1 480 . 1 1 45 45 THR C C 13 175.249 0.300 . 1 . . . . 45 THR C . 11349 1 481 . 1 1 45 45 THR CA C 13 61.611 0.300 . 1 . . . . 45 THR CA . 11349 1 482 . 1 1 45 45 THR CB C 13 68.628 0.300 . 1 . . . . 45 THR CB . 11349 1 483 . 1 1 45 45 THR CG2 C 13 21.769 0.300 . 1 . . . . 45 THR CG2 . 11349 1 484 . 1 1 45 45 THR N N 15 114.191 0.300 . 1 . . . . 45 THR N . 11349 1 485 . 1 1 46 46 LYS H H 1 7.839 0.030 . 1 . . . . 46 LYS H . 11349 1 486 . 1 1 46 46 LYS HA H 1 4.393 0.030 . 1 . . . . 46 LYS HA . 11349 1 487 . 1 1 46 46 LYS HB2 H 1 2.021 0.030 . 1 . . . . 46 LYS HB2 . 11349 1 488 . 1 1 46 46 LYS HB3 H 1 2.021 0.030 . 1 . . . . 46 LYS HB3 . 11349 1 489 . 1 1 46 46 LYS HD2 H 1 1.840 0.030 . 2 . . . . 46 LYS HD2 . 11349 1 490 . 1 1 46 46 LYS HD3 H 1 1.777 0.030 . 2 . . . . 46 LYS HD3 . 11349 1 491 . 1 1 46 46 LYS HE2 H 1 3.079 0.030 . 2 . . . . 46 LYS HE2 . 11349 1 492 . 1 1 46 46 LYS HE3 H 1 3.049 0.030 . 2 . . . . 46 LYS HE3 . 11349 1 493 . 1 1 46 46 LYS HG2 H 1 1.689 0.030 . 2 . . . . 46 LYS HG2 . 11349 1 494 . 1 1 46 46 LYS HG3 H 1 1.551 0.030 . 2 . . . . 46 LYS HG3 . 11349 1 495 . 1 1 46 46 LYS C C 13 176.024 0.300 . 1 . . . . 46 LYS C . 11349 1 496 . 1 1 46 46 LYS CA C 13 56.489 0.300 . 1 . . . . 46 LYS CA . 11349 1 497 . 1 1 46 46 LYS CB C 13 33.246 0.300 . 1 . . . . 46 LYS CB . 11349 1 498 . 1 1 46 46 LYS CD C 13 29.074 0.300 . 1 . . . . 46 LYS CD . 11349 1 499 . 1 1 46 46 LYS CE C 13 41.838 0.300 . 1 . . . . 46 LYS CE . 11349 1 500 . 1 1 46 46 LYS CG C 13 24.901 0.300 . 1 . . . . 46 LYS CG . 11349 1 501 . 1 1 46 46 LYS N N 15 121.383 0.300 . 1 . . . . 46 LYS N . 11349 1 502 . 1 1 47 47 SER H H 1 8.103 0.030 . 1 . . . . 47 SER H . 11349 1 503 . 1 1 47 47 SER HA H 1 4.453 0.030 . 1 . . . . 47 SER HA . 11349 1 504 . 1 1 47 47 SER HB2 H 1 3.780 0.030 . 2 . . . . 47 SER HB2 . 11349 1 505 . 1 1 47 47 SER HB3 H 1 3.720 0.030 . 2 . . . . 47 SER HB3 . 11349 1 506 . 1 1 47 47 SER C C 13 172.564 0.300 . 1 . . . . 47 SER C . 11349 1 507 . 1 1 47 47 SER CA C 13 58.965 0.300 . 1 . . . . 47 SER CA . 11349 1 508 . 1 1 47 47 SER CB C 13 63.775 0.300 . 1 . . . . 47 SER CB . 11349 1 509 . 1 1 47 47 SER N N 15 113.892 0.300 . 1 . . . . 47 SER N . 11349 1 510 . 1 1 48 48 PHE H H 1 7.790 0.030 . 1 . . . . 48 PHE H . 11349 1 511 . 1 1 48 48 PHE HA H 1 5.120 0.030 . 1 . . . . 48 PHE HA . 11349 1 512 . 1 1 48 48 PHE HB2 H 1 2.760 0.030 . 2 . . . . 48 PHE HB2 . 11349 1 513 . 1 1 48 48 PHE HB3 H 1 2.572 0.030 . 2 . . . . 48 PHE HB3 . 11349 1 514 . 1 1 48 48 PHE HD1 H 1 6.808 0.030 . 1 . . . . 48 PHE HD1 . 11349 1 515 . 1 1 48 48 PHE HD2 H 1 6.808 0.030 . 1 . . . . 48 PHE HD2 . 11349 1 516 . 1 1 48 48 PHE HE1 H 1 6.840 0.030 . 1 . . . . 48 PHE HE1 . 11349 1 517 . 1 1 48 48 PHE HE2 H 1 6.840 0.030 . 1 . . . . 48 PHE HE2 . 11349 1 518 . 1 1 48 48 PHE HZ H 1 6.298 0.030 . 1 . . . . 48 PHE HZ . 11349 1 519 . 1 1 48 48 PHE C C 13 172.755 0.300 . 1 . . . . 48 PHE C . 11349 1 520 . 1 1 48 48 PHE CA C 13 55.486 0.300 . 1 . . . . 48 PHE CA . 11349 1 521 . 1 1 48 48 PHE CB C 13 41.853 0.300 . 1 . . . . 48 PHE CB . 11349 1 522 . 1 1 48 48 PHE CD1 C 13 132.272 0.300 . 1 . . . . 48 PHE CD1 . 11349 1 523 . 1 1 48 48 PHE CD2 C 13 132.272 0.300 . 1 . . . . 48 PHE CD2 . 11349 1 524 . 1 1 48 48 PHE CE1 C 13 131.062 0.300 . 1 . . . . 48 PHE CE1 . 11349 1 525 . 1 1 48 48 PHE CE2 C 13 131.062 0.300 . 1 . . . . 48 PHE CE2 . 11349 1 526 . 1 1 48 48 PHE CZ C 13 129.558 0.300 . 1 . . . . 48 PHE CZ . 11349 1 527 . 1 1 48 48 PHE N N 15 117.825 0.300 . 1 . . . . 48 PHE N . 11349 1 528 . 1 1 49 49 ILE H H 1 9.479 0.030 . 1 . . . . 49 ILE H . 11349 1 529 . 1 1 49 49 ILE HA H 1 4.328 0.030 . 1 . . . . 49 ILE HA . 11349 1 530 . 1 1 49 49 ILE HB H 1 1.290 0.030 . 1 . . . . 49 ILE HB . 11349 1 531 . 1 1 49 49 ILE HD11 H 1 0.396 0.030 . 1 . . . . 49 ILE HD1 . 11349 1 532 . 1 1 49 49 ILE HD12 H 1 0.396 0.030 . 1 . . . . 49 ILE HD1 . 11349 1 533 . 1 1 49 49 ILE HD13 H 1 0.396 0.030 . 1 . . . . 49 ILE HD1 . 11349 1 534 . 1 1 49 49 ILE HG12 H 1 0.960 0.030 . 2 . . . . 49 ILE HG12 . 11349 1 535 . 1 1 49 49 ILE HG13 H 1 0.718 0.030 . 2 . . . . 49 ILE HG13 . 11349 1 536 . 1 1 49 49 ILE HG21 H 1 0.138 0.030 . 1 . . . . 49 ILE HG2 . 11349 1 537 . 1 1 49 49 ILE HG22 H 1 0.138 0.030 . 1 . . . . 49 ILE HG2 . 11349 1 538 . 1 1 49 49 ILE HG23 H 1 0.138 0.030 . 1 . . . . 49 ILE HG2 . 11349 1 539 . 1 1 49 49 ILE C C 13 174.159 0.300 . 1 . . . . 49 ILE C . 11349 1 540 . 1 1 49 49 ILE CA C 13 57.417 0.300 . 1 . . . . 49 ILE CA . 11349 1 541 . 1 1 49 49 ILE CB C 13 41.158 0.300 . 1 . . . . 49 ILE CB . 11349 1 542 . 1 1 49 49 ILE CD1 C 13 12.887 0.300 . 1 . . . . 49 ILE CD1 . 11349 1 543 . 1 1 49 49 ILE CG1 C 13 27.208 0.300 . 1 . . . . 49 ILE CG1 . 11349 1 544 . 1 1 49 49 ILE CG2 C 13 16.851 0.300 . 1 . . . . 49 ILE CG2 . 11349 1 545 . 1 1 49 49 ILE N N 15 122.302 0.300 . 1 . . . . 49 ILE N . 11349 1 546 . 1 1 50 50 PRO HA H 1 5.580 0.030 . 1 . . . . 50 PRO HA . 11349 1 547 . 1 1 50 50 PRO HB2 H 1 2.460 0.030 . 2 . . . . 50 PRO HB2 . 11349 1 548 . 1 1 50 50 PRO HB3 H 1 2.080 0.030 . 2 . . . . 50 PRO HB3 . 11349 1 549 . 1 1 50 50 PRO HD2 H 1 3.690 0.030 . 2 . . . . 50 PRO HD2 . 11349 1 550 . 1 1 50 50 PRO HD3 H 1 3.244 0.030 . 2 . . . . 50 PRO HD3 . 11349 1 551 . 1 1 50 50 PRO HG2 H 1 2.219 0.030 . 2 . . . . 50 PRO HG2 . 11349 1 552 . 1 1 50 50 PRO HG3 H 1 2.031 0.030 . 2 . . . . 50 PRO HG3 . 11349 1 553 . 1 1 50 50 PRO C C 13 177.350 0.300 . 1 . . . . 50 PRO C . 11349 1 554 . 1 1 50 50 PRO CA C 13 61.405 0.300 . 1 . . . . 50 PRO CA . 11349 1 555 . 1 1 50 50 PRO CB C 13 32.620 0.300 . 1 . . . . 50 PRO CB . 11349 1 556 . 1 1 50 50 PRO CD C 13 51.034 0.300 . 1 . . . . 50 PRO CD . 11349 1 557 . 1 1 50 50 PRO CG C 13 26.588 0.300 . 1 . . . . 50 PRO CG . 11349 1 558 . 1 1 51 51 LYS H H 1 9.221 0.030 . 1 . . . . 51 LYS H . 11349 1 559 . 1 1 51 51 LYS HA H 1 4.481 0.030 . 1 . . . . 51 LYS HA . 11349 1 560 . 1 1 51 51 LYS HB2 H 1 1.981 0.030 . 2 . . . . 51 LYS HB2 . 11349 1 561 . 1 1 51 51 LYS HB3 H 1 1.781 0.030 . 2 . . . . 51 LYS HB3 . 11349 1 562 . 1 1 51 51 LYS HD2 H 1 1.654 0.030 . 2 . . . . 51 LYS HD2 . 11349 1 563 . 1 1 51 51 LYS HD3 H 1 1.521 0.030 . 2 . . . . 51 LYS HD3 . 11349 1 564 . 1 1 51 51 LYS HE2 H 1 2.917 0.030 . 1 . . . . 51 LYS HE2 . 11349 1 565 . 1 1 51 51 LYS HE3 H 1 2.917 0.030 . 1 . . . . 51 LYS HE3 . 11349 1 566 . 1 1 51 51 LYS HG2 H 1 1.441 0.030 . 2 . . . . 51 LYS HG2 . 11349 1 567 . 1 1 51 51 LYS HG3 H 1 1.303 0.030 . 2 . . . . 51 LYS HG3 . 11349 1 568 . 1 1 51 51 LYS C C 13 175.613 0.300 . 1 . . . . 51 LYS C . 11349 1 569 . 1 1 51 51 LYS CA C 13 56.202 0.300 . 1 . . . . 51 LYS CA . 11349 1 570 . 1 1 51 51 LYS CB C 13 34.903 0.300 . 1 . . . . 51 LYS CB . 11349 1 571 . 1 1 51 51 LYS CD C 13 29.107 0.300 . 1 . . . . 51 LYS CD . 11349 1 572 . 1 1 51 51 LYS CE C 13 42.230 0.300 . 1 . . . . 51 LYS CE . 11349 1 573 . 1 1 51 51 LYS CG C 13 24.879 0.300 . 1 . . . . 51 LYS CG . 11349 1 574 . 1 1 51 51 LYS N N 15 124.236 0.300 . 1 . . . . 51 LYS N . 11349 1 575 . 1 1 52 52 ASP H H 1 9.322 0.030 . 1 . . . . 52 ASP H . 11349 1 576 . 1 1 52 52 ASP HA H 1 4.251 0.030 . 1 . . . . 52 ASP HA . 11349 1 577 . 1 1 52 52 ASP HB2 H 1 2.882 0.030 . 2 . . . . 52 ASP HB2 . 11349 1 578 . 1 1 52 52 ASP HB3 H 1 2.849 0.030 . 2 . . . . 52 ASP HB3 . 11349 1 579 . 1 1 52 52 ASP C C 13 176.046 0.300 . 1 . . . . 52 ASP C . 11349 1 580 . 1 1 52 52 ASP CA C 13 56.434 0.300 . 1 . . . . 52 ASP CA . 11349 1 581 . 1 1 52 52 ASP CB C 13 39.469 0.300 . 1 . . . . 52 ASP CB . 11349 1 582 . 1 1 52 52 ASP N N 15 127.556 0.300 . 1 . . . . 52 ASP N . 11349 1 583 . 1 1 53 53 ASN H H 1 8.652 0.030 . 1 . . . . 53 ASN H . 11349 1 584 . 1 1 53 53 ASN HA H 1 4.582 0.030 . 1 . . . . 53 ASN HA . 11349 1 585 . 1 1 53 53 ASN HB2 H 1 3.025 0.030 . 1 . . . . 53 ASN HB2 . 11349 1 586 . 1 1 53 53 ASN HB3 H 1 3.025 0.030 . 1 . . . . 53 ASN HB3 . 11349 1 587 . 1 1 53 53 ASN HD21 H 1 6.934 0.030 . 2 . . . . 53 ASN HD21 . 11349 1 588 . 1 1 53 53 ASN HD22 H 1 7.599 0.030 . 2 . . . . 53 ASN HD22 . 11349 1 589 . 1 1 53 53 ASN C C 13 174.132 0.300 . 1 . . . . 53 ASN C . 11349 1 590 . 1 1 53 53 ASN CA C 13 54.589 0.300 . 1 . . . . 53 ASN CA . 11349 1 591 . 1 1 53 53 ASN CB C 13 37.959 0.300 . 1 . . . . 53 ASN CB . 11349 1 592 . 1 1 53 53 ASN N N 15 114.226 0.300 . 1 . . . . 53 ASN N . 11349 1 593 . 1 1 53 53 ASN ND2 N 15 113.301 0.300 . 1 . . . . 53 ASN ND2 . 11349 1 594 . 1 1 54 54 GLN H H 1 7.971 0.030 . 1 . . . . 54 GLN H . 11349 1 595 . 1 1 54 54 GLN HA H 1 4.419 0.030 . 1 . . . . 54 GLN HA . 11349 1 596 . 1 1 54 54 GLN HB2 H 1 2.000 0.030 . 2 . . . . 54 GLN HB2 . 11349 1 597 . 1 1 54 54 GLN HB3 H 1 1.347 0.030 . 2 . . . . 54 GLN HB3 . 11349 1 598 . 1 1 54 54 GLN HE21 H 1 7.219 0.030 . 2 . . . . 54 GLN HE21 . 11349 1 599 . 1 1 54 54 GLN HE22 H 1 6.647 0.030 . 2 . . . . 54 GLN HE22 . 11349 1 600 . 1 1 54 54 GLN HG2 H 1 2.099 0.030 . 2 . . . . 54 GLN HG2 . 11349 1 601 . 1 1 54 54 GLN HG3 H 1 1.833 0.030 . 2 . . . . 54 GLN HG3 . 11349 1 602 . 1 1 54 54 GLN C C 13 173.427 0.300 . 1 . . . . 54 GLN C . 11349 1 603 . 1 1 54 54 GLN CA C 13 54.151 0.300 . 1 . . . . 54 GLN CA . 11349 1 604 . 1 1 54 54 GLN CB C 13 32.283 0.300 . 1 . . . . 54 GLN CB . 11349 1 605 . 1 1 54 54 GLN CG C 13 33.589 0.300 . 1 . . . . 54 GLN CG . 11349 1 606 . 1 1 54 54 GLN N N 15 118.792 0.300 . 1 . . . . 54 GLN N . 11349 1 607 . 1 1 54 54 GLN NE2 N 15 110.285 0.300 . 1 . . . . 54 GLN NE2 . 11349 1 608 . 1 1 55 55 ASN H H 1 9.078 0.030 . 1 . . . . 55 ASN H . 11349 1 609 . 1 1 55 55 ASN HA H 1 5.112 0.030 . 1 . . . . 55 ASN HA . 11349 1 610 . 1 1 55 55 ASN HB2 H 1 2.070 0.030 . 2 . . . . 55 ASN HB2 . 11349 1 611 . 1 1 55 55 ASN HB3 H 1 1.532 0.030 . 2 . . . . 55 ASN HB3 . 11349 1 612 . 1 1 55 55 ASN HD21 H 1 6.990 0.030 . 2 . . . . 55 ASN HD21 . 11349 1 613 . 1 1 55 55 ASN HD22 H 1 5.287 0.030 . 2 . . . . 55 ASN HD22 . 11349 1 614 . 1 1 55 55 ASN C C 13 175.712 0.300 . 1 . . . . 55 ASN C . 11349 1 615 . 1 1 55 55 ASN CA C 13 52.574 0.300 . 1 . . . . 55 ASN CA . 11349 1 616 . 1 1 55 55 ASN CB C 13 41.037 0.300 . 1 . . . . 55 ASN CB . 11349 1 617 . 1 1 55 55 ASN N N 15 120.166 0.300 . 1 . . . . 55 ASN N . 11349 1 618 . 1 1 55 55 ASN ND2 N 15 111.302 0.300 . 1 . . . . 55 ASN ND2 . 11349 1 619 . 1 1 56 56 PHE H H 1 8.286 0.030 . 1 . . . . 56 PHE H . 11349 1 620 . 1 1 56 56 PHE HA H 1 6.009 0.030 . 1 . . . . 56 PHE HA . 11349 1 621 . 1 1 56 56 PHE HB2 H 1 3.418 0.030 . 2 . . . . 56 PHE HB2 . 11349 1 622 . 1 1 56 56 PHE HB3 H 1 3.110 0.030 . 2 . . . . 56 PHE HB3 . 11349 1 623 . 1 1 56 56 PHE HD1 H 1 7.377 0.030 . 1 . . . . 56 PHE HD1 . 11349 1 624 . 1 1 56 56 PHE HD2 H 1 7.377 0.030 . 1 . . . . 56 PHE HD2 . 11349 1 625 . 1 1 56 56 PHE HE1 H 1 7.404 0.030 . 1 . . . . 56 PHE HE1 . 11349 1 626 . 1 1 56 56 PHE HE2 H 1 7.404 0.030 . 1 . . . . 56 PHE HE2 . 11349 1 627 . 1 1 56 56 PHE HZ H 1 7.402 0.030 . 1 . . . . 56 PHE HZ . 11349 1 628 . 1 1 56 56 PHE C C 13 176.476 0.300 . 1 . . . . 56 PHE C . 11349 1 629 . 1 1 56 56 PHE CA C 13 55.915 0.300 . 1 . . . . 56 PHE CA . 11349 1 630 . 1 1 56 56 PHE CB C 13 43.171 0.300 . 1 . . . . 56 PHE CB . 11349 1 631 . 1 1 56 56 PHE CD1 C 13 131.782 0.300 . 1 . . . . 56 PHE CD1 . 11349 1 632 . 1 1 56 56 PHE CD2 C 13 131.782 0.300 . 1 . . . . 56 PHE CD2 . 11349 1 633 . 1 1 56 56 PHE CE1 C 13 131.785 0.300 . 1 . . . . 56 PHE CE1 . 11349 1 634 . 1 1 56 56 PHE CE2 C 13 131.785 0.300 . 1 . . . . 56 PHE CE2 . 11349 1 635 . 1 1 56 56 PHE CZ C 13 130.090 0.300 . 1 . . . . 56 PHE CZ . 11349 1 636 . 1 1 56 56 PHE N N 15 118.430 0.300 . 1 . . . . 56 PHE N . 11349 1 637 . 1 1 57 57 CYS H H 1 9.945 0.030 . 1 . . . . 57 CYS H . 11349 1 638 . 1 1 57 57 CYS HA H 1 4.845 0.030 . 1 . . . . 57 CYS HA . 11349 1 639 . 1 1 57 57 CYS HB2 H 1 3.481 0.030 . 2 . . . . 57 CYS HB2 . 11349 1 640 . 1 1 57 57 CYS HB3 H 1 2.969 0.030 . 2 . . . . 57 CYS HB3 . 11349 1 641 . 1 1 57 57 CYS C C 13 174.639 0.300 . 1 . . . . 57 CYS C . 11349 1 642 . 1 1 57 57 CYS CA C 13 58.462 0.300 . 1 . . . . 57 CYS CA . 11349 1 643 . 1 1 57 57 CYS CB C 13 29.856 0.300 . 1 . . . . 57 CYS CB . 11349 1 644 . 1 1 57 57 CYS N N 15 123.718 0.300 . 1 . . . . 57 CYS N . 11349 1 645 . 1 1 58 58 VAL H H 1 8.752 0.030 . 1 . . . . 58 VAL H . 11349 1 646 . 1 1 58 58 VAL HA H 1 3.731 0.030 . 1 . . . . 58 VAL HA . 11349 1 647 . 1 1 58 58 VAL HB H 1 2.247 0.030 . 1 . . . . 58 VAL HB . 11349 1 648 . 1 1 58 58 VAL HG11 H 1 0.850 0.030 . 1 . . . . 58 VAL HG1 . 11349 1 649 . 1 1 58 58 VAL HG12 H 1 0.850 0.030 . 1 . . . . 58 VAL HG1 . 11349 1 650 . 1 1 58 58 VAL HG13 H 1 0.850 0.030 . 1 . . . . 58 VAL HG1 . 11349 1 651 . 1 1 58 58 VAL HG21 H 1 0.945 0.030 . 1 . . . . 58 VAL HG2 . 11349 1 652 . 1 1 58 58 VAL HG22 H 1 0.945 0.030 . 1 . . . . 58 VAL HG2 . 11349 1 653 . 1 1 58 58 VAL HG23 H 1 0.945 0.030 . 1 . . . . 58 VAL HG2 . 11349 1 654 . 1 1 58 58 VAL C C 13 175.669 0.300 . 1 . . . . 58 VAL C . 11349 1 655 . 1 1 58 58 VAL CA C 13 69.258 0.300 . 1 . . . . 58 VAL CA . 11349 1 656 . 1 1 58 58 VAL CB C 13 29.119 0.300 . 1 . . . . 58 VAL CB . 11349 1 657 . 1 1 58 58 VAL CG1 C 13 23.308 0.300 . 2 . . . . 58 VAL CG1 . 11349 1 658 . 1 1 58 58 VAL CG2 C 13 21.401 0.300 . 2 . . . . 58 VAL CG2 . 11349 1 659 . 1 1 58 58 VAL N N 15 120.825 0.300 . 1 . . . . 58 VAL N . 11349 1 660 . 1 1 59 59 PRO HA H 1 4.377 0.030 . 1 . . . . 59 PRO HA . 11349 1 661 . 1 1 59 59 PRO HB2 H 1 2.290 0.030 . 2 . . . . 59 PRO HB2 . 11349 1 662 . 1 1 59 59 PRO HB3 H 1 2.011 0.030 . 2 . . . . 59 PRO HB3 . 11349 1 663 . 1 1 59 59 PRO HD2 H 1 4.272 0.030 . 2 . . . . 59 PRO HD2 . 11349 1 664 . 1 1 59 59 PRO HD3 H 1 3.750 0.030 . 2 . . . . 59 PRO HD3 . 11349 1 665 . 1 1 59 59 PRO HG2 H 1 2.251 0.030 . 2 . . . . 59 PRO HG2 . 11349 1 666 . 1 1 59 59 PRO HG3 H 1 1.966 0.030 . 2 . . . . 59 PRO HG3 . 11349 1 667 . 1 1 59 59 PRO C C 13 170.658 0.300 . 1 . . . . 59 PRO C . 11349 1 668 . 1 1 59 59 PRO CA C 13 66.305 0.300 . 1 . . . . 59 PRO CA . 11349 1 669 . 1 1 59 59 PRO CB C 13 31.133 0.300 . 1 . . . . 59 PRO CB . 11349 1 670 . 1 1 59 59 PRO CD C 13 49.729 0.300 . 1 . . . . 59 PRO CD . 11349 1 671 . 1 1 59 59 PRO CG C 13 28.708 0.300 . 1 . . . . 59 PRO CG . 11349 1 672 . 1 1 60 60 CYS H H 1 8.450 0.030 . 1 . . . . 60 CYS H . 11349 1 673 . 1 1 60 60 CYS HA H 1 3.912 0.030 . 1 . . . . 60 CYS HA . 11349 1 674 . 1 1 60 60 CYS HB2 H 1 3.500 0.030 . 2 . . . . 60 CYS HB2 . 11349 1 675 . 1 1 60 60 CYS HB3 H 1 2.794 0.030 . 2 . . . . 60 CYS HB3 . 11349 1 676 . 1 1 60 60 CYS C C 13 178.024 0.300 . 1 . . . . 60 CYS C . 11349 1 677 . 1 1 60 60 CYS CA C 13 65.824 0.300 . 1 . . . . 60 CYS CA . 11349 1 678 . 1 1 60 60 CYS CB C 13 31.081 0.300 . 1 . . . . 60 CYS CB . 11349 1 679 . 1 1 60 60 CYS N N 15 118.779 0.300 . 1 . . . . 60 CYS N . 11349 1 680 . 1 1 61 61 TYR H H 1 9.013 0.030 . 1 . . . . 61 TYR H . 11349 1 681 . 1 1 61 61 TYR HA H 1 3.598 0.030 . 1 . . . . 61 TYR HA . 11349 1 682 . 1 1 61 61 TYR HB2 H 1 3.181 0.030 . 2 . . . . 61 TYR HB2 . 11349 1 683 . 1 1 61 61 TYR HB3 H 1 2.990 0.030 . 2 . . . . 61 TYR HB3 . 11349 1 684 . 1 1 61 61 TYR HD1 H 1 6.711 0.030 . 1 . . . . 61 TYR HD1 . 11349 1 685 . 1 1 61 61 TYR HD2 H 1 6.711 0.030 . 1 . . . . 61 TYR HD2 . 11349 1 686 . 1 1 61 61 TYR HE1 H 1 6.489 0.030 . 1 . . . . 61 TYR HE1 . 11349 1 687 . 1 1 61 61 TYR HE2 H 1 6.489 0.030 . 1 . . . . 61 TYR HE2 . 11349 1 688 . 1 1 61 61 TYR C C 13 178.394 0.300 . 1 . . . . 61 TYR C . 11349 1 689 . 1 1 61 61 TYR CA C 13 62.702 0.300 . 1 . . . . 61 TYR CA . 11349 1 690 . 1 1 61 61 TYR CB C 13 38.969 0.300 . 1 . . . . 61 TYR CB . 11349 1 691 . 1 1 61 61 TYR CD1 C 13 133.115 0.300 . 1 . . . . 61 TYR CD1 . 11349 1 692 . 1 1 61 61 TYR CD2 C 13 133.115 0.300 . 1 . . . . 61 TYR CD2 . 11349 1 693 . 1 1 61 61 TYR CE1 C 13 118.428 0.300 . 1 . . . . 61 TYR CE1 . 11349 1 694 . 1 1 61 61 TYR CE2 C 13 118.428 0.300 . 1 . . . . 61 TYR CE2 . 11349 1 695 . 1 1 61 61 TYR N N 15 122.378 0.300 . 1 . . . . 61 TYR N . 11349 1 696 . 1 1 62 62 GLU H H 1 8.541 0.030 . 1 . . . . 62 GLU H . 11349 1 697 . 1 1 62 62 GLU HA H 1 3.890 0.030 . 1 . . . . 62 GLU HA . 11349 1 698 . 1 1 62 62 GLU HB2 H 1 2.110 0.030 . 2 . . . . 62 GLU HB2 . 11349 1 699 . 1 1 62 62 GLU HB3 H 1 2.004 0.030 . 2 . . . . 62 GLU HB3 . 11349 1 700 . 1 1 62 62 GLU HG2 H 1 2.549 0.030 . 2 . . . . 62 GLU HG2 . 11349 1 701 . 1 1 62 62 GLU HG3 H 1 2.239 0.030 . 2 . . . . 62 GLU HG3 . 11349 1 702 . 1 1 62 62 GLU C C 13 178.731 0.300 . 1 . . . . 62 GLU C . 11349 1 703 . 1 1 62 62 GLU CA C 13 58.887 0.300 . 1 . . . . 62 GLU CA . 11349 1 704 . 1 1 62 62 GLU CB C 13 29.484 0.300 . 1 . . . . 62 GLU CB . 11349 1 705 . 1 1 62 62 GLU CG C 13 36.794 0.300 . 1 . . . . 62 GLU CG . 11349 1 706 . 1 1 62 62 GLU N N 15 117.713 0.300 . 1 . . . . 62 GLU N . 11349 1 707 . 1 1 63 63 LYS H H 1 7.549 0.030 . 1 . . . . 63 LYS H . 11349 1 708 . 1 1 63 63 LYS HA H 1 4.040 0.030 . 1 . . . . 63 LYS HA . 11349 1 709 . 1 1 63 63 LYS HB2 H 1 1.789 0.030 . 1 . . . . 63 LYS HB2 . 11349 1 710 . 1 1 63 63 LYS HB3 H 1 1.789 0.030 . 1 . . . . 63 LYS HB3 . 11349 1 711 . 1 1 63 63 LYS HD2 H 1 1.649 0.030 . 2 . . . . 63 LYS HD2 . 11349 1 712 . 1 1 63 63 LYS HD3 H 1 1.557 0.030 . 2 . . . . 63 LYS HD3 . 11349 1 713 . 1 1 63 63 LYS HE2 H 1 2.927 0.030 . 1 . . . . 63 LYS HE2 . 11349 1 714 . 1 1 63 63 LYS HE3 H 1 2.927 0.030 . 1 . . . . 63 LYS HE3 . 11349 1 715 . 1 1 63 63 LYS HG2 H 1 1.527 0.030 . 2 . . . . 63 LYS HG2 . 11349 1 716 . 1 1 63 63 LYS HG3 H 1 1.431 0.030 . 2 . . . . 63 LYS HG3 . 11349 1 717 . 1 1 63 63 LYS C C 13 178.075 0.300 . 1 . . . . 63 LYS C . 11349 1 718 . 1 1 63 63 LYS CA C 13 58.148 0.300 . 1 . . . . 63 LYS CA . 11349 1 719 . 1 1 63 63 LYS CB C 13 32.649 0.300 . 1 . . . . 63 LYS CB . 11349 1 720 . 1 1 63 63 LYS CD C 13 29.155 0.300 . 1 . . . . 63 LYS CD . 11349 1 721 . 1 1 63 63 LYS CE C 13 42.199 0.300 . 1 . . . . 63 LYS CE . 11349 1 722 . 1 1 63 63 LYS CG C 13 25.114 0.300 . 1 . . . . 63 LYS CG . 11349 1 723 . 1 1 63 63 LYS N N 15 118.018 0.300 . 1 . . . . 63 LYS N . 11349 1 724 . 1 1 64 64 GLN H H 1 7.754 0.030 . 1 . . . . 64 GLN H . 11349 1 725 . 1 1 64 64 GLN HA H 1 3.951 0.030 . 1 . . . . 64 GLN HA . 11349 1 726 . 1 1 64 64 GLN HB2 H 1 1.744 0.030 . 2 . . . . 64 GLN HB2 . 11349 1 727 . 1 1 64 64 GLN HB3 H 1 1.449 0.030 . 2 . . . . 64 GLN HB3 . 11349 1 728 . 1 1 64 64 GLN HE21 H 1 6.345 0.030 . 2 . . . . 64 GLN HE21 . 11349 1 729 . 1 1 64 64 GLN HE22 H 1 7.044 0.030 . 2 . . . . 64 GLN HE22 . 11349 1 730 . 1 1 64 64 GLN HG2 H 1 1.860 0.030 . 2 . . . . 64 GLN HG2 . 11349 1 731 . 1 1 64 64 GLN HG3 H 1 1.784 0.030 . 2 . . . . 64 GLN HG3 . 11349 1 732 . 1 1 64 64 GLN C C 13 176.230 0.300 . 1 . . . . 64 GLN C . 11349 1 733 . 1 1 64 64 GLN CA C 13 56.855 0.300 . 1 . . . . 64 GLN CA . 11349 1 734 . 1 1 64 64 GLN CB C 13 29.125 0.300 . 1 . . . . 64 GLN CB . 11349 1 735 . 1 1 64 64 GLN CG C 13 33.177 0.300 . 1 . . . . 64 GLN CG . 11349 1 736 . 1 1 64 64 GLN N N 15 117.271 0.300 . 1 . . . . 64 GLN N . 11349 1 737 . 1 1 64 64 GLN NE2 N 15 110.896 0.300 . 1 . . . . 64 GLN NE2 . 11349 1 738 . 1 1 65 65 HIS H H 1 7.678 0.030 . 1 . . . . 65 HIS H . 11349 1 739 . 1 1 65 65 HIS HA H 1 4.417 0.030 . 1 . . . . 65 HIS HA . 11349 1 740 . 1 1 65 65 HIS HB2 H 1 2.929 0.030 . 2 . . . . 65 HIS HB2 . 11349 1 741 . 1 1 65 65 HIS HB3 H 1 2.349 0.030 . 2 . . . . 65 HIS HB3 . 11349 1 742 . 1 1 65 65 HIS HD2 H 1 6.473 0.030 . 1 . . . . 65 HIS HD2 . 11349 1 743 . 1 1 65 65 HIS HE1 H 1 7.363 0.030 . 1 . . . . 65 HIS HE1 . 11349 1 744 . 1 1 65 65 HIS C C 13 174.955 0.300 . 1 . . . . 65 HIS C . 11349 1 745 . 1 1 65 65 HIS CA C 13 56.622 0.300 . 1 . . . . 65 HIS CA . 11349 1 746 . 1 1 65 65 HIS CB C 13 30.072 0.300 . 1 . . . . 65 HIS CB . 11349 1 747 . 1 1 65 65 HIS CD2 C 13 121.305 0.300 . 1 . . . . 65 HIS CD2 . 11349 1 748 . 1 1 65 65 HIS CE1 C 13 137.626 0.300 . 1 . . . . 65 HIS CE1 . 11349 1 749 . 1 1 65 65 HIS N N 15 117.068 0.300 . 1 . . . . 65 HIS N . 11349 1 750 . 1 1 66 66 ALA H H 1 7.666 0.030 . 1 . . . . 66 ALA H . 11349 1 751 . 1 1 66 66 ALA HA H 1 4.309 0.030 . 1 . . . . 66 ALA HA . 11349 1 752 . 1 1 66 66 ALA HB1 H 1 1.371 0.030 . 1 . . . . 66 ALA HB . 11349 1 753 . 1 1 66 66 ALA HB2 H 1 1.371 0.030 . 1 . . . . 66 ALA HB . 11349 1 754 . 1 1 66 66 ALA HB3 H 1 1.371 0.030 . 1 . . . . 66 ALA HB . 11349 1 755 . 1 1 66 66 ALA C C 13 177.641 0.300 . 1 . . . . 66 ALA C . 11349 1 756 . 1 1 66 66 ALA CA C 13 52.778 0.300 . 1 . . . . 66 ALA CA . 11349 1 757 . 1 1 66 66 ALA CB C 13 19.250 0.300 . 1 . . . . 66 ALA CB . 11349 1 758 . 1 1 66 66 ALA N N 15 123.767 0.300 . 1 . . . . 66 ALA N . 11349 1 759 . 1 1 67 67 SER H H 1 8.185 0.030 . 1 . . . . 67 SER H . 11349 1 760 . 1 1 67 67 SER HA H 1 4.460 0.030 . 1 . . . . 67 SER HA . 11349 1 761 . 1 1 67 67 SER HB2 H 1 3.869 0.030 . 1 . . . . 67 SER HB2 . 11349 1 762 . 1 1 67 67 SER HB3 H 1 3.869 0.030 . 1 . . . . 67 SER HB3 . 11349 1 763 . 1 1 67 67 SER C C 13 174.578 0.300 . 1 . . . . 67 SER C . 11349 1 764 . 1 1 67 67 SER CA C 13 58.419 0.300 . 1 . . . . 67 SER CA . 11349 1 765 . 1 1 67 67 SER CB C 13 64.062 0.300 . 1 . . . . 67 SER CB . 11349 1 766 . 1 1 67 67 SER N N 15 114.705 0.300 . 1 . . . . 67 SER N . 11349 1 767 . 1 1 68 68 GLY H H 1 8.123 0.030 . 1 . . . . 68 GLY H . 11349 1 768 . 1 1 68 68 GLY HA2 H 1 4.137 0.030 . 2 . . . . 68 GLY HA2 . 11349 1 769 . 1 1 68 68 GLY HA3 H 1 4.072 0.030 . 2 . . . . 68 GLY HA3 . 11349 1 770 . 1 1 68 68 GLY C C 13 171.799 0.300 . 1 . . . . 68 GLY C . 11349 1 771 . 1 1 68 68 GLY CA C 13 44.692 0.300 . 1 . . . . 68 GLY CA . 11349 1 772 . 1 1 68 68 GLY N N 15 110.488 0.300 . 1 . . . . 68 GLY N . 11349 1 773 . 1 1 69 69 PRO HA H 1 4.455 0.030 . 1 . . . . 69 PRO HA . 11349 1 774 . 1 1 69 69 PRO HB2 H 1 2.269 0.030 . 2 . . . . 69 PRO HB2 . 11349 1 775 . 1 1 69 69 PRO HB3 H 1 1.949 0.030 . 2 . . . . 69 PRO HB3 . 11349 1 776 . 1 1 69 69 PRO HD2 H 1 3.608 0.030 . 1 . . . . 69 PRO HD2 . 11349 1 777 . 1 1 69 69 PRO HD3 H 1 3.608 0.030 . 1 . . . . 69 PRO HD3 . 11349 1 778 . 1 1 69 69 PRO HG2 H 1 1.997 0.030 . 1 . . . . 69 PRO HG2 . 11349 1 779 . 1 1 69 69 PRO HG3 H 1 1.997 0.030 . 1 . . . . 69 PRO HG3 . 11349 1 780 . 1 1 69 69 PRO C C 13 177.377 0.300 . 1 . . . . 69 PRO C . 11349 1 781 . 1 1 69 69 PRO CA C 13 63.274 0.300 . 1 . . . . 69 PRO CA . 11349 1 782 . 1 1 69 69 PRO CB C 13 32.202 0.300 . 1 . . . . 69 PRO CB . 11349 1 783 . 1 1 69 69 PRO CD C 13 49.808 0.300 . 1 . . . . 69 PRO CD . 11349 1 784 . 1 1 69 69 PRO CG C 13 27.147 0.300 . 1 . . . . 69 PRO CG . 11349 1 785 . 1 1 70 70 SER H H 1 8.488 0.030 . 1 . . . . 70 SER H . 11349 1 786 . 1 1 70 70 SER HA H 1 4.460 0.030 . 1 . . . . 70 SER HA . 11349 1 787 . 1 1 70 70 SER HB2 H 1 3.895 0.030 . 1 . . . . 70 SER HB2 . 11349 1 788 . 1 1 70 70 SER HB3 H 1 3.895 0.030 . 1 . . . . 70 SER HB3 . 11349 1 789 . 1 1 70 70 SER C C 13 177.233 0.300 . 1 . . . . 70 SER C . 11349 1 790 . 1 1 70 70 SER CA C 13 58.554 0.300 . 1 . . . . 70 SER CA . 11349 1 791 . 1 1 70 70 SER CB C 13 63.940 0.300 . 1 . . . . 70 SER CB . 11349 1 792 . 1 1 70 70 SER N N 15 116.368 0.300 . 1 . . . . 70 SER N . 11349 1 stop_ save_