data_11350 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11350 _Entry.Title ; Solution structure of LIM domain in Four and a half LIM domains protein 2 ; _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 . . . 11350 2 Y. Muto . . . 11350 3 M. Inoue . . . 11350 4 T. Kigawa . . . 11350 5 M. Shirouzu . . . 11350 6 T. Terada . . . 11350 7 S. Yokoyama . . . 11350 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)' . 11350 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11350 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 11350 '15N chemical shifts' 67 11350 '1H chemical shifts' 417 11350 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 . 11350 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X4L 'BMRB Entry Tracking System' 11350 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11350 _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 Four and a half LIM domains protein 2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. He . . . 11350 1 2 Y. Muto . . . 11350 1 3 M. Inoue . . . 11350 1 4 T. Kigawa . . . 11350 1 5 M. Shirouzu . . . 11350 1 6 T. Terada . . . 11350 1 7 S. Yokoyama . . . 11350 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11350 _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 . . . 11350 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11350 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11350 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 11350 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 11350 1 3 coordination single . 1 'LIM domain' 1 HIS 32 32 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 32 HIS ND1 . . . . ZN 11350 1 4 coordination single . 1 'LIM domain' 1 CYS 35 35 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 35 CYS SG . . . . ZN 11350 1 5 coordination single . 1 'LIM domain' 1 CYS 38 38 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11350 1 6 coordination single . 1 'LIM domain' 1 CYS 41 41 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11350 1 7 coordination single . 1 'LIM domain' 1 CYS 59 59 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 59 CYS SG . . . . ZN 11350 1 8 coordination single . 1 'LIM domain' 1 CYS 62 62 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 62 CYS SG . . . . ZN 11350 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 59 59 HG . 59 CYS HG 11350 1 . . 1 1 CYS 62 62 HG . 62 CYS HG 11350 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11350 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11350 1 . . 1 1 HIS 32 32 HD1 . 32 HIS HD1 11350 1 . . 1 1 CYS 35 35 HG . 35 CYS HG 11350 1 . . 1 1 CYS 8 8 HG . 8 CYS HG 11350 1 . . 1 1 CYS 11 11 HG . 11 CYS HG 11350 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 1x4l . . . . . . 11350 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11350 _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 ; GSSGSSGCAGCTNPISGLGG TKYISFEERQWHNDCFNCKK CSLSLVGRGFLTERDDILCP DCGKDISGPSSG ; _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 1X4L . "Solution Structure Of Lim Domain In Four And A Half Lim Domains Protein 2" . . . . . 100.00 72 100.00 100.00 4.80e-43 . . . . 11350 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'LIM domain' . 11350 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 . 11350 1 2 . SER . 11350 1 3 . SER . 11350 1 4 . GLY . 11350 1 5 . SER . 11350 1 6 . SER . 11350 1 7 . GLY . 11350 1 8 . CYS . 11350 1 9 . ALA . 11350 1 10 . GLY . 11350 1 11 . CYS . 11350 1 12 . THR . 11350 1 13 . ASN . 11350 1 14 . PRO . 11350 1 15 . ILE . 11350 1 16 . SER . 11350 1 17 . GLY . 11350 1 18 . LEU . 11350 1 19 . GLY . 11350 1 20 . GLY . 11350 1 21 . THR . 11350 1 22 . LYS . 11350 1 23 . TYR . 11350 1 24 . ILE . 11350 1 25 . SER . 11350 1 26 . PHE . 11350 1 27 . GLU . 11350 1 28 . GLU . 11350 1 29 . ARG . 11350 1 30 . GLN . 11350 1 31 . TRP . 11350 1 32 . HIS . 11350 1 33 . ASN . 11350 1 34 . ASP . 11350 1 35 . CYS . 11350 1 36 . PHE . 11350 1 37 . ASN . 11350 1 38 . CYS . 11350 1 39 . LYS . 11350 1 40 . LYS . 11350 1 41 . CYS . 11350 1 42 . SER . 11350 1 43 . LEU . 11350 1 44 . SER . 11350 1 45 . LEU . 11350 1 46 . VAL . 11350 1 47 . GLY . 11350 1 48 . ARG . 11350 1 49 . GLY . 11350 1 50 . PHE . 11350 1 51 . LEU . 11350 1 52 . THR . 11350 1 53 . GLU . 11350 1 54 . ARG . 11350 1 55 . ASP . 11350 1 56 . ASP . 11350 1 57 . ILE . 11350 1 58 . LEU . 11350 1 59 . CYS . 11350 1 60 . PRO . 11350 1 61 . ASP . 11350 1 62 . CYS . 11350 1 63 . GLY . 11350 1 64 . LYS . 11350 1 65 . ASP . 11350 1 66 . ILE . 11350 1 67 . SER . 11350 1 68 . GLY . 11350 1 69 . PRO . 11350 1 70 . SER . 11350 1 71 . SER . 11350 1 72 . GLY . 11350 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 11350 1 . SER 2 2 11350 1 . SER 3 3 11350 1 . GLY 4 4 11350 1 . SER 5 5 11350 1 . SER 6 6 11350 1 . GLY 7 7 11350 1 . CYS 8 8 11350 1 . ALA 9 9 11350 1 . GLY 10 10 11350 1 . CYS 11 11 11350 1 . THR 12 12 11350 1 . ASN 13 13 11350 1 . PRO 14 14 11350 1 . ILE 15 15 11350 1 . SER 16 16 11350 1 . GLY 17 17 11350 1 . LEU 18 18 11350 1 . GLY 19 19 11350 1 . GLY 20 20 11350 1 . THR 21 21 11350 1 . LYS 22 22 11350 1 . TYR 23 23 11350 1 . ILE 24 24 11350 1 . SER 25 25 11350 1 . PHE 26 26 11350 1 . GLU 27 27 11350 1 . GLU 28 28 11350 1 . ARG 29 29 11350 1 . GLN 30 30 11350 1 . TRP 31 31 11350 1 . HIS 32 32 11350 1 . ASN 33 33 11350 1 . ASP 34 34 11350 1 . CYS 35 35 11350 1 . PHE 36 36 11350 1 . ASN 37 37 11350 1 . CYS 38 38 11350 1 . LYS 39 39 11350 1 . LYS 40 40 11350 1 . CYS 41 41 11350 1 . SER 42 42 11350 1 . LEU 43 43 11350 1 . SER 44 44 11350 1 . LEU 45 45 11350 1 . VAL 46 46 11350 1 . GLY 47 47 11350 1 . ARG 48 48 11350 1 . GLY 49 49 11350 1 . PHE 50 50 11350 1 . LEU 51 51 11350 1 . THR 52 52 11350 1 . GLU 53 53 11350 1 . ARG 54 54 11350 1 . ASP 55 55 11350 1 . ASP 56 56 11350 1 . ILE 57 57 11350 1 . LEU 58 58 11350 1 . CYS 59 59 11350 1 . PRO 60 60 11350 1 . ASP 61 61 11350 1 . CYS 62 62 11350 1 . GLY 63 63 11350 1 . LYS 64 64 11350 1 . ASP 65 65 11350 1 . ILE 66 66 11350 1 . SER 67 67 11350 1 . GLY 68 68 11350 1 . PRO 69 69 11350 1 . SER 70 70 11350 1 . SER 71 71 11350 1 . GLY 72 72 11350 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11350 _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 . 11350 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 11350 _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 . . . . . . . . . . . . . . . . . . . . . 11350 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 11350 _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 . . P040921-14 . . . . . . 11350 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 11350 _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 11350 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11350 ZN [Zn++] SMILES CACTVS 3.341 11350 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11350 ZN [Zn+2] SMILES ACDLabs 10.04 11350 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11350 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11350 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 11350 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11350 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 . 11350 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11350 _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 . . . . 11350 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11350 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11350 1 4 ZnCl2 'natural abundance' . . . . . salt 100 . . uM . . . . 11350 1 5 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11350 1 6 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11350 1 7 H2O . . . . . . solvent 90 . . % . . . . 11350 1 8 D2O . . . . . . solvent 10 . . % . . . . 11350 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 11350 _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 11350 1 pH 7.0 0.05 pH 11350 1 pressure 1 0.001 atm 11350 1 temperature 298 0.1 K 11350 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11350 _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 . . 11350 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11350 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11350 _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.' . . 11350 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11350 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11350 _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.' . . 11350 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11350 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11350 _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.' . . 11350 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11350 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11350 _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.' . . 11350 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11350 5 'structure solution' 11350 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 11350 _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 11350 _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 . . . 11350 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 11350 _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 . . . . . . . . . . . . . . . . 11350 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11350 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 11350 _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 . . . . . . . . . 11350 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11350 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11350 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 11350 _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 11350 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11350 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 . . 11350 1 2 $NMRPipe . . 11350 1 3 $NMRView . . 11350 1 4 $Kujira . . 11350 1 5 $CYANA . . 11350 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 4.448 0.030 . 1 . . . . 6 SER HA . 11350 1 2 . 1 1 6 6 SER HB2 H 1 3.774 0.030 . 1 . . . . 6 SER HB2 . 11350 1 3 . 1 1 6 6 SER HB3 H 1 3.774 0.030 . 1 . . . . 6 SER HB3 . 11350 1 4 . 1 1 6 6 SER CA C 13 58.190 0.300 . 1 . . . . 6 SER CA . 11350 1 5 . 1 1 6 6 SER CB C 13 64.063 0.300 . 1 . . . . 6 SER CB . 11350 1 6 . 1 1 7 7 GLY H H 1 8.099 0.030 . 1 . . . . 7 GLY H . 11350 1 7 . 1 1 7 7 GLY HA2 H 1 3.829 0.030 . 2 . . . . 7 GLY HA2 . 11350 1 8 . 1 1 7 7 GLY HA3 H 1 3.543 0.030 . 2 . . . . 7 GLY HA3 . 11350 1 9 . 1 1 7 7 GLY C C 13 173.633 0.300 . 1 . . . . 7 GLY C . 11350 1 10 . 1 1 7 7 GLY CA C 13 44.564 0.300 . 1 . . . . 7 GLY CA . 11350 1 11 . 1 1 7 7 GLY N N 15 109.903 0.300 . 1 . . . . 7 GLY N . 11350 1 12 . 1 1 8 8 CYS H H 1 8.399 0.030 . 1 . . . . 8 CYS H . 11350 1 13 . 1 1 8 8 CYS HA H 1 4.337 0.030 . 1 . . . . 8 CYS HA . 11350 1 14 . 1 1 8 8 CYS HB2 H 1 3.342 0.030 . 2 . . . . 8 CYS HB2 . 11350 1 15 . 1 1 8 8 CYS HB3 H 1 2.144 0.030 . 2 . . . . 8 CYS HB3 . 11350 1 16 . 1 1 8 8 CYS C C 13 176.723 0.300 . 1 . . . . 8 CYS C . 11350 1 17 . 1 1 8 8 CYS CA C 13 57.742 0.300 . 1 . . . . 8 CYS CA . 11350 1 18 . 1 1 8 8 CYS CB C 13 30.978 0.300 . 1 . . . . 8 CYS CB . 11350 1 19 . 1 1 8 8 CYS N N 15 123.210 0.300 . 1 . . . . 8 CYS N . 11350 1 20 . 1 1 9 9 ALA H H 1 8.839 0.030 . 1 . . . . 9 ALA H . 11350 1 21 . 1 1 9 9 ALA HA H 1 3.938 0.030 . 1 . . . . 9 ALA HA . 11350 1 22 . 1 1 9 9 ALA HB1 H 1 0.365 0.030 . 1 . . . . 9 ALA HB . 11350 1 23 . 1 1 9 9 ALA HB2 H 1 0.365 0.030 . 1 . . . . 9 ALA HB . 11350 1 24 . 1 1 9 9 ALA HB3 H 1 0.365 0.030 . 1 . . . . 9 ALA HB . 11350 1 25 . 1 1 9 9 ALA C C 13 177.712 0.300 . 1 . . . . 9 ALA C . 11350 1 26 . 1 1 9 9 ALA CA C 13 53.744 0.300 . 1 . . . . 9 ALA CA . 11350 1 27 . 1 1 9 9 ALA CB C 13 17.681 0.300 . 1 . . . . 9 ALA CB . 11350 1 28 . 1 1 9 9 ALA N N 15 132.283 0.300 . 1 . . . . 9 ALA N . 11350 1 29 . 1 1 10 10 GLY H H 1 9.492 0.030 . 1 . . . . 10 GLY H . 11350 1 30 . 1 1 10 10 GLY HA2 H 1 4.641 0.030 . 2 . . . . 10 GLY HA2 . 11350 1 31 . 1 1 10 10 GLY HA3 H 1 3.927 0.030 . 2 . . . . 10 GLY HA3 . 11350 1 32 . 1 1 10 10 GLY C C 13 175.357 0.300 . 1 . . . . 10 GLY C . 11350 1 33 . 1 1 10 10 GLY CA C 13 46.025 0.300 . 1 . . . . 10 GLY CA . 11350 1 34 . 1 1 10 10 GLY N N 15 110.079 0.300 . 1 . . . . 10 GLY N . 11350 1 35 . 1 1 11 11 CYS H H 1 8.054 0.030 . 1 . . . . 11 CYS H . 11350 1 36 . 1 1 11 11 CYS HA H 1 5.149 0.030 . 1 . . . . 11 CYS HA . 11350 1 37 . 1 1 11 11 CYS HB2 H 1 3.347 0.030 . 2 . . . . 11 CYS HB2 . 11350 1 38 . 1 1 11 11 CYS HB3 H 1 3.300 0.030 . 2 . . . . 11 CYS HB3 . 11350 1 39 . 1 1 11 11 CYS CA C 13 58.852 0.300 . 1 . . . . 11 CYS CA . 11350 1 40 . 1 1 11 11 CYS CB C 13 31.687 0.300 . 1 . . . . 11 CYS CB . 11350 1 41 . 1 1 11 11 CYS N N 15 119.564 0.300 . 1 . . . . 11 CYS N . 11350 1 42 . 1 1 12 12 THR H H 1 8.063 0.030 . 1 . . . . 12 THR H . 11350 1 43 . 1 1 12 12 THR HA H 1 4.373 0.030 . 1 . . . . 12 THR HA . 11350 1 44 . 1 1 12 12 THR HB H 1 4.530 0.030 . 1 . . . . 12 THR HB . 11350 1 45 . 1 1 12 12 THR HG21 H 1 1.162 0.030 . 1 . . . . 12 THR HG2 . 11350 1 46 . 1 1 12 12 THR HG22 H 1 1.162 0.030 . 1 . . . . 12 THR HG2 . 11350 1 47 . 1 1 12 12 THR HG23 H 1 1.162 0.030 . 1 . . . . 12 THR HG2 . 11350 1 48 . 1 1 12 12 THR C C 13 173.692 0.300 . 1 . . . . 12 THR C . 11350 1 49 . 1 1 12 12 THR CA C 13 64.132 0.300 . 1 . . . . 12 THR CA . 11350 1 50 . 1 1 12 12 THR CB C 13 69.601 0.300 . 1 . . . . 12 THR CB . 11350 1 51 . 1 1 12 12 THR CG2 C 13 21.621 0.300 . 1 . . . . 12 THR CG2 . 11350 1 52 . 1 1 12 12 THR N N 15 113.100 0.300 . 1 . . . . 12 THR N . 11350 1 53 . 1 1 13 13 ASN H H 1 8.874 0.030 . 1 . . . . 13 ASN H . 11350 1 54 . 1 1 13 13 ASN HA H 1 5.161 0.030 . 1 . . . . 13 ASN HA . 11350 1 55 . 1 1 13 13 ASN HB2 H 1 3.079 0.030 . 2 . . . . 13 ASN HB2 . 11350 1 56 . 1 1 13 13 ASN HB3 H 1 2.899 0.030 . 2 . . . . 13 ASN HB3 . 11350 1 57 . 1 1 13 13 ASN HD21 H 1 7.152 0.030 . 2 . . . . 13 ASN HD21 . 11350 1 58 . 1 1 13 13 ASN HD22 H 1 7.401 0.030 . 2 . . . . 13 ASN HD22 . 11350 1 59 . 1 1 13 13 ASN C C 13 173.322 0.300 . 1 . . . . 13 ASN C . 11350 1 60 . 1 1 13 13 ASN CA C 13 52.480 0.300 . 1 . . . . 13 ASN CA . 11350 1 61 . 1 1 13 13 ASN CB C 13 38.203 0.300 . 1 . . . . 13 ASN CB . 11350 1 62 . 1 1 13 13 ASN N N 15 123.630 0.300 . 1 . . . . 13 ASN N . 11350 1 63 . 1 1 13 13 ASN ND2 N 15 114.787 0.300 . 1 . . . . 13 ASN ND2 . 11350 1 64 . 1 1 14 14 PRO HA H 1 4.389 0.030 . 1 . . . . 14 PRO HA . 11350 1 65 . 1 1 14 14 PRO HB2 H 1 2.277 0.030 . 2 . . . . 14 PRO HB2 . 11350 1 66 . 1 1 14 14 PRO HB3 H 1 1.779 0.030 . 2 . . . . 14 PRO HB3 . 11350 1 67 . 1 1 14 14 PRO HD2 H 1 3.943 0.030 . 2 . . . . 14 PRO HD2 . 11350 1 68 . 1 1 14 14 PRO HD3 H 1 3.680 0.030 . 2 . . . . 14 PRO HD3 . 11350 1 69 . 1 1 14 14 PRO HG2 H 1 2.053 0.030 . 1 . . . . 14 PRO HG2 . 11350 1 70 . 1 1 14 14 PRO HG3 H 1 2.053 0.030 . 1 . . . . 14 PRO HG3 . 11350 1 71 . 1 1 14 14 PRO C C 13 177.111 0.300 . 1 . . . . 14 PRO C . 11350 1 72 . 1 1 14 14 PRO CA C 13 63.467 0.300 . 1 . . . . 14 PRO CA . 11350 1 73 . 1 1 14 14 PRO CB C 13 32.466 0.300 . 1 . . . . 14 PRO CB . 11350 1 74 . 1 1 14 14 PRO CD C 13 50.669 0.300 . 1 . . . . 14 PRO CD . 11350 1 75 . 1 1 14 14 PRO CG C 13 27.604 0.300 . 1 . . . . 14 PRO CG . 11350 1 76 . 1 1 15 15 ILE H H 1 8.561 0.030 . 1 . . . . 15 ILE H . 11350 1 77 . 1 1 15 15 ILE HA H 1 4.000 0.030 . 1 . . . . 15 ILE HA . 11350 1 78 . 1 1 15 15 ILE HB H 1 1.313 0.030 . 1 . . . . 15 ILE HB . 11350 1 79 . 1 1 15 15 ILE HD11 H 1 0.092 0.030 . 1 . . . . 15 ILE HD1 . 11350 1 80 . 1 1 15 15 ILE HD12 H 1 0.092 0.030 . 1 . . . . 15 ILE HD1 . 11350 1 81 . 1 1 15 15 ILE HD13 H 1 0.092 0.030 . 1 . . . . 15 ILE HD1 . 11350 1 82 . 1 1 15 15 ILE HG12 H 1 0.963 0.030 . 2 . . . . 15 ILE HG12 . 11350 1 83 . 1 1 15 15 ILE HG13 H 1 0.098 0.030 . 2 . . . . 15 ILE HG13 . 11350 1 84 . 1 1 15 15 ILE HG21 H 1 0.238 0.030 . 1 . . . . 15 ILE HG2 . 11350 1 85 . 1 1 15 15 ILE HG22 H 1 0.238 0.030 . 1 . . . . 15 ILE HG2 . 11350 1 86 . 1 1 15 15 ILE HG23 H 1 0.238 0.030 . 1 . . . . 15 ILE HG2 . 11350 1 87 . 1 1 15 15 ILE C C 13 175.488 0.300 . 1 . . . . 15 ILE C . 11350 1 88 . 1 1 15 15 ILE CA C 13 60.583 0.300 . 1 . . . . 15 ILE CA . 11350 1 89 . 1 1 15 15 ILE CB C 13 37.887 0.300 . 1 . . . . 15 ILE CB . 11350 1 90 . 1 1 15 15 ILE CD1 C 13 12.742 0.300 . 1 . . . . 15 ILE CD1 . 11350 1 91 . 1 1 15 15 ILE CG1 C 13 26.839 0.300 . 1 . . . . 15 ILE CG1 . 11350 1 92 . 1 1 15 15 ILE CG2 C 13 16.846 0.300 . 1 . . . . 15 ILE CG2 . 11350 1 93 . 1 1 15 15 ILE N N 15 123.161 0.300 . 1 . . . . 15 ILE N . 11350 1 94 . 1 1 16 16 SER HA H 1 4.396 0.030 . 1 . . . . 16 SER HA . 11350 1 95 . 1 1 16 16 SER HB2 H 1 3.773 0.030 . 1 . . . . 16 SER HB2 . 11350 1 96 . 1 1 16 16 SER HB3 H 1 3.773 0.030 . 1 . . . . 16 SER HB3 . 11350 1 97 . 1 1 16 16 SER C C 13 174.914 0.300 . 1 . . . . 16 SER C . 11350 1 98 . 1 1 16 16 SER CA C 13 58.046 0.300 . 1 . . . . 16 SER CA . 11350 1 99 . 1 1 16 16 SER CB C 13 64.031 0.300 . 1 . . . . 16 SER CB . 11350 1 100 . 1 1 17 17 GLY H H 1 8.491 0.030 . 1 . . . . 17 GLY H . 11350 1 101 . 1 1 17 17 GLY HA2 H 1 4.073 0.030 . 2 . . . . 17 GLY HA2 . 11350 1 102 . 1 1 17 17 GLY HA3 H 1 3.902 0.030 . 2 . . . . 17 GLY HA3 . 11350 1 103 . 1 1 17 17 GLY C C 13 174.736 0.300 . 1 . . . . 17 GLY C . 11350 1 104 . 1 1 17 17 GLY CA C 13 45.586 0.300 . 1 . . . . 17 GLY CA . 11350 1 105 . 1 1 17 17 GLY N N 15 111.898 0.300 . 1 . . . . 17 GLY N . 11350 1 106 . 1 1 18 18 LEU H H 1 8.042 0.030 . 1 . . . . 18 LEU H . 11350 1 107 . 1 1 18 18 LEU HA H 1 4.342 0.030 . 1 . . . . 18 LEU HA . 11350 1 108 . 1 1 18 18 LEU HB2 H 1 1.628 0.030 . 2 . . . . 18 LEU HB2 . 11350 1 109 . 1 1 18 18 LEU HB3 H 1 1.593 0.030 . 2 . . . . 18 LEU HB3 . 11350 1 110 . 1 1 18 18 LEU HD11 H 1 0.912 0.030 . 1 . . . . 18 LEU HD1 . 11350 1 111 . 1 1 18 18 LEU HD12 H 1 0.912 0.030 . 1 . . . . 18 LEU HD1 . 11350 1 112 . 1 1 18 18 LEU HD13 H 1 0.912 0.030 . 1 . . . . 18 LEU HD1 . 11350 1 113 . 1 1 18 18 LEU HD21 H 1 0.854 0.030 . 1 . . . . 18 LEU HD2 . 11350 1 114 . 1 1 18 18 LEU HD22 H 1 0.854 0.030 . 1 . . . . 18 LEU HD2 . 11350 1 115 . 1 1 18 18 LEU HD23 H 1 0.854 0.030 . 1 . . . . 18 LEU HD2 . 11350 1 116 . 1 1 18 18 LEU HG H 1 1.597 0.030 . 1 . . . . 18 LEU HG . 11350 1 117 . 1 1 18 18 LEU C C 13 178.343 0.300 . 1 . . . . 18 LEU C . 11350 1 118 . 1 1 18 18 LEU CA C 13 55.429 0.300 . 1 . . . . 18 LEU CA . 11350 1 119 . 1 1 18 18 LEU CB C 13 42.343 0.300 . 1 . . . . 18 LEU CB . 11350 1 120 . 1 1 18 18 LEU CD1 C 13 24.958 0.300 . 2 . . . . 18 LEU CD1 . 11350 1 121 . 1 1 18 18 LEU CD2 C 13 23.270 0.300 . 2 . . . . 18 LEU CD2 . 11350 1 122 . 1 1 18 18 LEU CG C 13 26.966 0.300 . 1 . . . . 18 LEU CG . 11350 1 123 . 1 1 18 18 LEU N N 15 121.446 0.300 . 1 . . . . 18 LEU N . 11350 1 124 . 1 1 19 19 GLY H H 1 8.605 0.030 . 1 . . . . 19 GLY H . 11350 1 125 . 1 1 19 19 GLY HA2 H 1 3.965 0.030 . 1 . . . . 19 GLY HA2 . 11350 1 126 . 1 1 19 19 GLY HA3 H 1 3.965 0.030 . 1 . . . . 19 GLY HA3 . 11350 1 127 . 1 1 19 19 GLY C C 13 175.055 0.300 . 1 . . . . 19 GLY C . 11350 1 128 . 1 1 19 19 GLY CA C 13 45.838 0.300 . 1 . . . . 19 GLY CA . 11350 1 129 . 1 1 19 19 GLY N N 15 109.883 0.300 . 1 . . . . 19 GLY N . 11350 1 130 . 1 1 20 20 GLY H H 1 8.378 0.030 . 1 . . . . 20 GLY H . 11350 1 131 . 1 1 20 20 GLY HA2 H 1 4.046 0.030 . 2 . . . . 20 GLY HA2 . 11350 1 132 . 1 1 20 20 GLY HA3 H 1 3.902 0.030 . 2 . . . . 20 GLY HA3 . 11350 1 133 . 1 1 20 20 GLY C C 13 174.540 0.300 . 1 . . . . 20 GLY C . 11350 1 134 . 1 1 20 20 GLY CA C 13 45.736 0.300 . 1 . . . . 20 GLY CA . 11350 1 135 . 1 1 20 20 GLY N N 15 109.249 0.300 . 1 . . . . 20 GLY N . 11350 1 136 . 1 1 21 21 THR H H 1 7.771 0.030 . 1 . . . . 21 THR H . 11350 1 137 . 1 1 21 21 THR HA H 1 4.291 0.030 . 1 . . . . 21 THR HA . 11350 1 138 . 1 1 21 21 THR HB H 1 4.259 0.030 . 1 . . . . 21 THR HB . 11350 1 139 . 1 1 21 21 THR HG21 H 1 1.290 0.030 . 1 . . . . 21 THR HG2 . 11350 1 140 . 1 1 21 21 THR HG22 H 1 1.290 0.030 . 1 . . . . 21 THR HG2 . 11350 1 141 . 1 1 21 21 THR HG23 H 1 1.290 0.030 . 1 . . . . 21 THR HG2 . 11350 1 142 . 1 1 21 21 THR C C 13 174.561 0.300 . 1 . . . . 21 THR C . 11350 1 143 . 1 1 21 21 THR CA C 13 62.662 0.300 . 1 . . . . 21 THR CA . 11350 1 144 . 1 1 21 21 THR CB C 13 69.718 0.300 . 1 . . . . 21 THR CB . 11350 1 145 . 1 1 21 21 THR CG2 C 13 21.858 0.300 . 1 . . . . 21 THR CG2 . 11350 1 146 . 1 1 21 21 THR N N 15 113.837 0.300 . 1 . . . . 21 THR N . 11350 1 147 . 1 1 22 22 LYS H H 1 8.414 0.030 . 1 . . . . 22 LYS H . 11350 1 148 . 1 1 22 22 LYS HA H 1 4.455 0.030 . 1 . . . . 22 LYS HA . 11350 1 149 . 1 1 22 22 LYS HB2 H 1 1.840 0.030 . 2 . . . . 22 LYS HB2 . 11350 1 150 . 1 1 22 22 LYS HB3 H 1 1.781 0.030 . 2 . . . . 22 LYS HB3 . 11350 1 151 . 1 1 22 22 LYS HD2 H 1 1.652 0.030 . 1 . . . . 22 LYS HD2 . 11350 1 152 . 1 1 22 22 LYS HD3 H 1 1.652 0.030 . 1 . . . . 22 LYS HD3 . 11350 1 153 . 1 1 22 22 LYS HE2 H 1 2.977 0.030 . 1 . . . . 22 LYS HE2 . 11350 1 154 . 1 1 22 22 LYS HE3 H 1 2.977 0.030 . 1 . . . . 22 LYS HE3 . 11350 1 155 . 1 1 22 22 LYS HG2 H 1 1.503 0.030 . 2 . . . . 22 LYS HG2 . 11350 1 156 . 1 1 22 22 LYS HG3 H 1 1.374 0.030 . 2 . . . . 22 LYS HG3 . 11350 1 157 . 1 1 22 22 LYS C C 13 175.259 0.300 . 1 . . . . 22 LYS C . 11350 1 158 . 1 1 22 22 LYS CA C 13 55.884 0.300 . 1 . . . . 22 LYS CA . 11350 1 159 . 1 1 22 22 LYS CB C 13 33.003 0.300 . 1 . . . . 22 LYS CB . 11350 1 160 . 1 1 22 22 LYS CD C 13 28.938 0.300 . 1 . . . . 22 LYS CD . 11350 1 161 . 1 1 22 22 LYS CE C 13 42.245 0.300 . 1 . . . . 22 LYS CE . 11350 1 162 . 1 1 22 22 LYS CG C 13 24.838 0.300 . 1 . . . . 22 LYS CG . 11350 1 163 . 1 1 22 22 LYS N N 15 124.393 0.300 . 1 . . . . 22 LYS N . 11350 1 164 . 1 1 23 23 TYR H H 1 7.751 0.030 . 1 . . . . 23 TYR H . 11350 1 165 . 1 1 23 23 TYR HA H 1 5.151 0.030 . 1 . . . . 23 TYR HA . 11350 1 166 . 1 1 23 23 TYR HB2 H 1 2.933 0.030 . 2 . . . . 23 TYR HB2 . 11350 1 167 . 1 1 23 23 TYR HB3 H 1 2.778 0.030 . 2 . . . . 23 TYR HB3 . 11350 1 168 . 1 1 23 23 TYR HD1 H 1 6.768 0.030 . 1 . . . . 23 TYR HD1 . 11350 1 169 . 1 1 23 23 TYR HD2 H 1 6.768 0.030 . 1 . . . . 23 TYR HD2 . 11350 1 170 . 1 1 23 23 TYR HE1 H 1 6.679 0.030 . 1 . . . . 23 TYR HE1 . 11350 1 171 . 1 1 23 23 TYR HE2 H 1 6.679 0.030 . 1 . . . . 23 TYR HE2 . 11350 1 172 . 1 1 23 23 TYR C C 13 173.325 0.300 . 1 . . . . 23 TYR C . 11350 1 173 . 1 1 23 23 TYR CA C 13 56.175 0.300 . 1 . . . . 23 TYR CA . 11350 1 174 . 1 1 23 23 TYR CB C 13 40.492 0.300 . 1 . . . . 23 TYR CB . 11350 1 175 . 1 1 23 23 TYR CD1 C 13 133.445 0.300 . 1 . . . . 23 TYR CD1 . 11350 1 176 . 1 1 23 23 TYR CD2 C 13 133.445 0.300 . 1 . . . . 23 TYR CD2 . 11350 1 177 . 1 1 23 23 TYR CE1 C 13 118.148 0.300 . 1 . . . . 23 TYR CE1 . 11350 1 178 . 1 1 23 23 TYR CE2 C 13 118.148 0.300 . 1 . . . . 23 TYR CE2 . 11350 1 179 . 1 1 23 23 TYR N N 15 119.810 0.300 . 1 . . . . 23 TYR N . 11350 1 180 . 1 1 24 24 ILE H H 1 9.159 0.030 . 1 . . . . 24 ILE H . 11350 1 181 . 1 1 24 24 ILE HA H 1 4.206 0.030 . 1 . . . . 24 ILE HA . 11350 1 182 . 1 1 24 24 ILE HB H 1 1.432 0.030 . 1 . . . . 24 ILE HB . 11350 1 183 . 1 1 24 24 ILE HD11 H 1 0.464 0.030 . 1 . . . . 24 ILE HD1 . 11350 1 184 . 1 1 24 24 ILE HD12 H 1 0.464 0.030 . 1 . . . . 24 ILE HD1 . 11350 1 185 . 1 1 24 24 ILE HD13 H 1 0.464 0.030 . 1 . . . . 24 ILE HD1 . 11350 1 186 . 1 1 24 24 ILE HG12 H 1 1.106 0.030 . 2 . . . . 24 ILE HG12 . 11350 1 187 . 1 1 24 24 ILE HG13 H 1 0.970 0.030 . 2 . . . . 24 ILE HG13 . 11350 1 188 . 1 1 24 24 ILE HG21 H 1 -0.122 0.030 . 1 . . . . 24 ILE HG2 . 11350 1 189 . 1 1 24 24 ILE HG22 H 1 -0.122 0.030 . 1 . . . . 24 ILE HG2 . 11350 1 190 . 1 1 24 24 ILE HG23 H 1 -0.122 0.030 . 1 . . . . 24 ILE HG2 . 11350 1 191 . 1 1 24 24 ILE C C 13 175.303 0.300 . 1 . . . . 24 ILE C . 11350 1 192 . 1 1 24 24 ILE CA C 13 58.781 0.300 . 1 . . . . 24 ILE CA . 11350 1 193 . 1 1 24 24 ILE CB C 13 39.911 0.300 . 1 . . . . 24 ILE CB . 11350 1 194 . 1 1 24 24 ILE CD1 C 13 11.920 0.300 . 1 . . . . 24 ILE CD1 . 11350 1 195 . 1 1 24 24 ILE CG1 C 13 26.645 0.300 . 1 . . . . 24 ILE CG1 . 11350 1 196 . 1 1 24 24 ILE CG2 C 13 16.157 0.300 . 1 . . . . 24 ILE CG2 . 11350 1 197 . 1 1 24 24 ILE N N 15 122.279 0.300 . 1 . . . . 24 ILE N . 11350 1 198 . 1 1 25 25 SER H H 1 8.451 0.030 . 1 . . . . 25 SER H . 11350 1 199 . 1 1 25 25 SER HA H 1 5.551 0.030 . 1 . . . . 25 SER HA . 11350 1 200 . 1 1 25 25 SER HB2 H 1 3.907 0.030 . 2 . . . . 25 SER HB2 . 11350 1 201 . 1 1 25 25 SER HB3 H 1 3.796 0.030 . 2 . . . . 25 SER HB3 . 11350 1 202 . 1 1 25 25 SER C C 13 173.820 0.300 . 1 . . . . 25 SER C . 11350 1 203 . 1 1 25 25 SER CA C 13 56.883 0.300 . 1 . . . . 25 SER CA . 11350 1 204 . 1 1 25 25 SER CB C 13 65.300 0.300 . 1 . . . . 25 SER CB . 11350 1 205 . 1 1 25 25 SER N N 15 120.884 0.300 . 1 . . . . 25 SER N . 11350 1 206 . 1 1 26 26 PHE H H 1 8.874 0.030 . 1 . . . . 26 PHE H . 11350 1 207 . 1 1 26 26 PHE HA H 1 4.808 0.030 . 1 . . . . 26 PHE HA . 11350 1 208 . 1 1 26 26 PHE HB2 H 1 3.203 0.030 . 1 . . . . 26 PHE HB2 . 11350 1 209 . 1 1 26 26 PHE HB3 H 1 3.203 0.030 . 1 . . . . 26 PHE HB3 . 11350 1 210 . 1 1 26 26 PHE HD1 H 1 7.459 0.030 . 1 . . . . 26 PHE HD1 . 11350 1 211 . 1 1 26 26 PHE HD2 H 1 7.459 0.030 . 1 . . . . 26 PHE HD2 . 11350 1 212 . 1 1 26 26 PHE HE1 H 1 7.416 0.030 . 1 . . . . 26 PHE HE1 . 11350 1 213 . 1 1 26 26 PHE HE2 H 1 7.416 0.030 . 1 . . . . 26 PHE HE2 . 11350 1 214 . 1 1 26 26 PHE HZ H 1 7.319 0.030 . 1 . . . . 26 PHE HZ . 11350 1 215 . 1 1 26 26 PHE C C 13 173.994 0.300 . 1 . . . . 26 PHE C . 11350 1 216 . 1 1 26 26 PHE CA C 13 58.759 0.300 . 1 . . . . 26 PHE CA . 11350 1 217 . 1 1 26 26 PHE CB C 13 41.237 0.300 . 1 . . . . 26 PHE CB . 11350 1 218 . 1 1 26 26 PHE CD1 C 13 131.868 0.300 . 1 . . . . 26 PHE CD1 . 11350 1 219 . 1 1 26 26 PHE CD2 C 13 131.868 0.300 . 1 . . . . 26 PHE CD2 . 11350 1 220 . 1 1 26 26 PHE CE1 C 13 131.868 0.300 . 1 . . . . 26 PHE CE1 . 11350 1 221 . 1 1 26 26 PHE CE2 C 13 131.868 0.300 . 1 . . . . 26 PHE CE2 . 11350 1 222 . 1 1 26 26 PHE CZ C 13 130.411 0.300 . 1 . . . . 26 PHE CZ . 11350 1 223 . 1 1 26 26 PHE N N 15 124.944 0.300 . 1 . . . . 26 PHE N . 11350 1 224 . 1 1 27 27 GLU H H 1 9.063 0.030 . 1 . . . . 27 GLU H . 11350 1 225 . 1 1 27 27 GLU HA H 1 3.598 0.030 . 1 . . . . 27 GLU HA . 11350 1 226 . 1 1 27 27 GLU HB2 H 1 1.919 0.030 . 2 . . . . 27 GLU HB2 . 11350 1 227 . 1 1 27 27 GLU HB3 H 1 1.819 0.030 . 2 . . . . 27 GLU HB3 . 11350 1 228 . 1 1 27 27 GLU HG2 H 1 1.699 0.030 . 2 . . . . 27 GLU HG2 . 11350 1 229 . 1 1 27 27 GLU HG3 H 1 1.371 0.030 . 2 . . . . 27 GLU HG3 . 11350 1 230 . 1 1 27 27 GLU C C 13 175.946 0.300 . 1 . . . . 27 GLU C . 11350 1 231 . 1 1 27 27 GLU CA C 13 58.020 0.300 . 1 . . . . 27 GLU CA . 11350 1 232 . 1 1 27 27 GLU CB C 13 27.250 0.300 . 1 . . . . 27 GLU CB . 11350 1 233 . 1 1 27 27 GLU CG C 13 36.200 0.300 . 1 . . . . 27 GLU CG . 11350 1 234 . 1 1 27 27 GLU N N 15 126.471 0.300 . 1 . . . . 27 GLU N . 11350 1 235 . 1 1 28 28 GLU H H 1 8.651 0.030 . 1 . . . . 28 GLU H . 11350 1 236 . 1 1 28 28 GLU HA H 1 4.211 0.030 . 1 . . . . 28 GLU HA . 11350 1 237 . 1 1 28 28 GLU HB2 H 1 2.250 0.030 . 2 . . . . 28 GLU HB2 . 11350 1 238 . 1 1 28 28 GLU HB3 H 1 2.101 0.030 . 2 . . . . 28 GLU HB3 . 11350 1 239 . 1 1 28 28 GLU HG2 H 1 2.269 0.030 . 2 . . . . 28 GLU HG2 . 11350 1 240 . 1 1 28 28 GLU HG3 H 1 2.160 0.030 . 2 . . . . 28 GLU HG3 . 11350 1 241 . 1 1 28 28 GLU C C 13 175.725 0.300 . 1 . . . . 28 GLU C . 11350 1 242 . 1 1 28 28 GLU CA C 13 57.256 0.300 . 1 . . . . 28 GLU CA . 11350 1 243 . 1 1 28 28 GLU CB C 13 28.529 0.300 . 1 . . . . 28 GLU CB . 11350 1 244 . 1 1 28 28 GLU CG C 13 36.598 0.300 . 1 . . . . 28 GLU CG . 11350 1 245 . 1 1 28 28 GLU N N 15 117.571 0.300 . 1 . . . . 28 GLU N . 11350 1 246 . 1 1 29 29 ARG H H 1 8.035 0.030 . 1 . . . . 29 ARG H . 11350 1 247 . 1 1 29 29 ARG HA H 1 4.378 0.030 . 1 . . . . 29 ARG HA . 11350 1 248 . 1 1 29 29 ARG HB2 H 1 1.890 0.030 . 2 . . . . 29 ARG HB2 . 11350 1 249 . 1 1 29 29 ARG HB3 H 1 0.782 0.030 . 2 . . . . 29 ARG HB3 . 11350 1 250 . 1 1 29 29 ARG HD2 H 1 3.281 0.030 . 2 . . . . 29 ARG HD2 . 11350 1 251 . 1 1 29 29 ARG HD3 H 1 2.908 0.030 . 2 . . . . 29 ARG HD3 . 11350 1 252 . 1 1 29 29 ARG HE H 1 7.465 0.030 . 1 . . . . 29 ARG HE . 11350 1 253 . 1 1 29 29 ARG HG2 H 1 1.642 0.030 . 2 . . . . 29 ARG HG2 . 11350 1 254 . 1 1 29 29 ARG HG3 H 1 1.501 0.030 . 2 . . . . 29 ARG HG3 . 11350 1 255 . 1 1 29 29 ARG C C 13 174.576 0.300 . 1 . . . . 29 ARG C . 11350 1 256 . 1 1 29 29 ARG CA C 13 55.525 0.300 . 1 . . . . 29 ARG CA . 11350 1 257 . 1 1 29 29 ARG CB C 13 34.924 0.300 . 1 . . . . 29 ARG CB . 11350 1 258 . 1 1 29 29 ARG CD C 13 44.064 0.300 . 1 . . . . 29 ARG CD . 11350 1 259 . 1 1 29 29 ARG CG C 13 27.458 0.300 . 1 . . . . 29 ARG CG . 11350 1 260 . 1 1 29 29 ARG N N 15 120.329 0.300 . 1 . . . . 29 ARG N . 11350 1 261 . 1 1 29 29 ARG NE N 15 85.777 0.300 . 1 . . . . 29 ARG NE . 11350 1 262 . 1 1 30 30 GLN H H 1 8.084 0.030 . 1 . . . . 30 GLN H . 11350 1 263 . 1 1 30 30 GLN HA H 1 5.632 0.030 . 1 . . . . 30 GLN HA . 11350 1 264 . 1 1 30 30 GLN HB2 H 1 1.762 0.030 . 2 . . . . 30 GLN HB2 . 11350 1 265 . 1 1 30 30 GLN HB3 H 1 1.621 0.030 . 2 . . . . 30 GLN HB3 . 11350 1 266 . 1 1 30 30 GLN HE21 H 1 6.911 0.030 . 2 . . . . 30 GLN HE21 . 11350 1 267 . 1 1 30 30 GLN HE22 H 1 6.360 0.030 . 2 . . . . 30 GLN HE22 . 11350 1 268 . 1 1 30 30 GLN HG2 H 1 2.163 0.030 . 2 . . . . 30 GLN HG2 . 11350 1 269 . 1 1 30 30 GLN HG3 H 1 2.090 0.030 . 2 . . . . 30 GLN HG3 . 11350 1 270 . 1 1 30 30 GLN C C 13 173.950 0.300 . 1 . . . . 30 GLN C . 11350 1 271 . 1 1 30 30 GLN CA C 13 54.239 0.300 . 1 . . . . 30 GLN CA . 11350 1 272 . 1 1 30 30 GLN CB C 13 32.719 0.300 . 1 . . . . 30 GLN CB . 11350 1 273 . 1 1 30 30 GLN CG C 13 33.796 0.300 . 1 . . . . 30 GLN CG . 11350 1 274 . 1 1 30 30 GLN N N 15 117.485 0.300 . 1 . . . . 30 GLN N . 11350 1 275 . 1 1 30 30 GLN NE2 N 15 109.646 0.300 . 1 . . . . 30 GLN NE2 . 11350 1 276 . 1 1 31 31 TRP H H 1 9.381 0.030 . 1 . . . . 31 TRP H . 11350 1 277 . 1 1 31 31 TRP HA H 1 6.173 0.030 . 1 . . . . 31 TRP HA . 11350 1 278 . 1 1 31 31 TRP HB2 H 1 3.354 0.030 . 2 . . . . 31 TRP HB2 . 11350 1 279 . 1 1 31 31 TRP HB3 H 1 2.830 0.030 . 2 . . . . 31 TRP HB3 . 11350 1 280 . 1 1 31 31 TRP HD1 H 1 6.830 0.030 . 1 . . . . 31 TRP HD1 . 11350 1 281 . 1 1 31 31 TRP HE1 H 1 10.499 0.030 . 1 . . . . 31 TRP HE1 . 11350 1 282 . 1 1 31 31 TRP HE3 H 1 7.429 0.030 . 1 . . . . 31 TRP HE3 . 11350 1 283 . 1 1 31 31 TRP HH2 H 1 7.101 0.030 . 1 . . . . 31 TRP HH2 . 11350 1 284 . 1 1 31 31 TRP HZ2 H 1 7.329 0.030 . 1 . . . . 31 TRP HZ2 . 11350 1 285 . 1 1 31 31 TRP HZ3 H 1 7.079 0.030 . 1 . . . . 31 TRP HZ3 . 11350 1 286 . 1 1 31 31 TRP C C 13 177.768 0.300 . 1 . . . . 31 TRP C . 11350 1 287 . 1 1 31 31 TRP CA C 13 56.647 0.300 . 1 . . . . 31 TRP CA . 11350 1 288 . 1 1 31 31 TRP CB C 13 35.341 0.300 . 1 . . . . 31 TRP CB . 11350 1 289 . 1 1 31 31 TRP CD1 C 13 125.658 0.300 . 1 . . . . 31 TRP CD1 . 11350 1 290 . 1 1 31 31 TRP CE3 C 13 121.415 0.300 . 1 . . . . 31 TRP CE3 . 11350 1 291 . 1 1 31 31 TRP CH2 C 13 123.957 0.300 . 1 . . . . 31 TRP CH2 . 11350 1 292 . 1 1 31 31 TRP CZ2 C 13 114.856 0.300 . 1 . . . . 31 TRP CZ2 . 11350 1 293 . 1 1 31 31 TRP CZ3 C 13 122.543 0.300 . 1 . . . . 31 TRP CZ3 . 11350 1 294 . 1 1 31 31 TRP N N 15 119.751 0.300 . 1 . . . . 31 TRP N . 11350 1 295 . 1 1 31 31 TRP NE1 N 15 129.415 0.300 . 1 . . . . 31 TRP NE1 . 11350 1 296 . 1 1 32 32 HIS H H 1 9.079 0.030 . 1 . . . . 32 HIS H . 11350 1 297 . 1 1 32 32 HIS HA H 1 4.611 0.030 . 1 . . . . 32 HIS HA . 11350 1 298 . 1 1 32 32 HIS HB2 H 1 3.876 0.030 . 2 . . . . 32 HIS HB2 . 11350 1 299 . 1 1 32 32 HIS HB3 H 1 3.651 0.030 . 2 . . . . 32 HIS HB3 . 11350 1 300 . 1 1 32 32 HIS HD2 H 1 7.443 0.030 . 1 . . . . 32 HIS HD2 . 11350 1 301 . 1 1 32 32 HIS HE1 H 1 7.355 0.030 . 1 . . . . 32 HIS HE1 . 11350 1 302 . 1 1 32 32 HIS C C 13 178.262 0.300 . 1 . . . . 32 HIS C . 11350 1 303 . 1 1 32 32 HIS CA C 13 59.663 0.300 . 1 . . . . 32 HIS CA . 11350 1 304 . 1 1 32 32 HIS CB C 13 30.673 0.300 . 1 . . . . 32 HIS CB . 11350 1 305 . 1 1 32 32 HIS CD2 C 13 118.933 0.300 . 1 . . . . 32 HIS CD2 . 11350 1 306 . 1 1 32 32 HIS CE1 C 13 138.554 0.300 . 1 . . . . 32 HIS CE1 . 11350 1 307 . 1 1 32 32 HIS N N 15 121.630 0.300 . 1 . . . . 32 HIS N . 11350 1 308 . 1 1 33 33 ASN H H 1 8.938 0.030 . 1 . . . . 33 ASN H . 11350 1 309 . 1 1 33 33 ASN HA H 1 4.147 0.030 . 1 . . . . 33 ASN HA . 11350 1 310 . 1 1 33 33 ASN HB2 H 1 2.814 0.030 . 2 . . . . 33 ASN HB2 . 11350 1 311 . 1 1 33 33 ASN HB3 H 1 2.725 0.030 . 2 . . . . 33 ASN HB3 . 11350 1 312 . 1 1 33 33 ASN HD21 H 1 6.410 0.030 . 2 . . . . 33 ASN HD21 . 11350 1 313 . 1 1 33 33 ASN HD22 H 1 7.455 0.030 . 2 . . . . 33 ASN HD22 . 11350 1 314 . 1 1 33 33 ASN C C 13 178.648 0.300 . 1 . . . . 33 ASN C . 11350 1 315 . 1 1 33 33 ASN CA C 13 57.830 0.300 . 1 . . . . 33 ASN CA . 11350 1 316 . 1 1 33 33 ASN CB C 13 37.754 0.300 . 1 . . . . 33 ASN CB . 11350 1 317 . 1 1 33 33 ASN N N 15 125.328 0.300 . 1 . . . . 33 ASN N . 11350 1 318 . 1 1 33 33 ASN ND2 N 15 108.303 0.300 . 1 . . . . 33 ASN ND2 . 11350 1 319 . 1 1 34 34 ASP H H 1 8.730 0.030 . 1 . . . . 34 ASP H . 11350 1 320 . 1 1 34 34 ASP HA H 1 4.539 0.030 . 1 . . . . 34 ASP HA . 11350 1 321 . 1 1 34 34 ASP HB2 H 1 2.879 0.030 . 2 . . . . 34 ASP HB2 . 11350 1 322 . 1 1 34 34 ASP HB3 H 1 2.645 0.030 . 2 . . . . 34 ASP HB3 . 11350 1 323 . 1 1 34 34 ASP C C 13 175.899 0.300 . 1 . . . . 34 ASP C . 11350 1 324 . 1 1 34 34 ASP CA C 13 56.287 0.300 . 1 . . . . 34 ASP CA . 11350 1 325 . 1 1 34 34 ASP CB C 13 40.317 0.300 . 1 . . . . 34 ASP CB . 11350 1 326 . 1 1 34 34 ASP N N 15 114.638 0.300 . 1 . . . . 34 ASP N . 11350 1 327 . 1 1 35 35 CYS H H 1 7.800 0.030 . 1 . . . . 35 CYS H . 11350 1 328 . 1 1 35 35 CYS HA H 1 4.405 0.030 . 1 . . . . 35 CYS HA . 11350 1 329 . 1 1 35 35 CYS HB2 H 1 3.489 0.030 . 2 . . . . 35 CYS HB2 . 11350 1 330 . 1 1 35 35 CYS HB3 H 1 3.254 0.030 . 2 . . . . 35 CYS HB3 . 11350 1 331 . 1 1 35 35 CYS C C 13 174.859 0.300 . 1 . . . . 35 CYS C . 11350 1 332 . 1 1 35 35 CYS CA C 13 60.100 0.300 . 1 . . . . 35 CYS CA . 11350 1 333 . 1 1 35 35 CYS CB C 13 31.805 0.300 . 1 . . . . 35 CYS CB . 11350 1 334 . 1 1 35 35 CYS N N 15 116.505 0.300 . 1 . . . . 35 CYS N . 11350 1 335 . 1 1 36 36 PHE H H 1 7.334 0.030 . 1 . . . . 36 PHE H . 11350 1 336 . 1 1 36 36 PHE HA H 1 3.902 0.030 . 1 . . . . 36 PHE HA . 11350 1 337 . 1 1 36 36 PHE HB2 H 1 3.103 0.030 . 2 . . . . 36 PHE HB2 . 11350 1 338 . 1 1 36 36 PHE HB3 H 1 2.268 0.030 . 2 . . . . 36 PHE HB3 . 11350 1 339 . 1 1 36 36 PHE HD1 H 1 5.804 0.030 . 1 . . . . 36 PHE HD1 . 11350 1 340 . 1 1 36 36 PHE HD2 H 1 5.804 0.030 . 1 . . . . 36 PHE HD2 . 11350 1 341 . 1 1 36 36 PHE HE1 H 1 5.631 0.030 . 1 . . . . 36 PHE HE1 . 11350 1 342 . 1 1 36 36 PHE HE2 H 1 5.631 0.030 . 1 . . . . 36 PHE HE2 . 11350 1 343 . 1 1 36 36 PHE HZ H 1 4.951 0.030 . 1 . . . . 36 PHE HZ . 11350 1 344 . 1 1 36 36 PHE C C 13 170.955 0.300 . 1 . . . . 36 PHE C . 11350 1 345 . 1 1 36 36 PHE CA C 13 57.611 0.300 . 1 . . . . 36 PHE CA . 11350 1 346 . 1 1 36 36 PHE CB C 13 37.010 0.300 . 1 . . . . 36 PHE CB . 11350 1 347 . 1 1 36 36 PHE CD1 C 13 131.463 0.300 . 1 . . . . 36 PHE CD1 . 11350 1 348 . 1 1 36 36 PHE CD2 C 13 131.463 0.300 . 1 . . . . 36 PHE CD2 . 11350 1 349 . 1 1 36 36 PHE CE1 C 13 130.864 0.300 . 1 . . . . 36 PHE CE1 . 11350 1 350 . 1 1 36 36 PHE CE2 C 13 130.864 0.300 . 1 . . . . 36 PHE CE2 . 11350 1 351 . 1 1 36 36 PHE CZ C 13 128.259 0.300 . 1 . . . . 36 PHE CZ . 11350 1 352 . 1 1 36 36 PHE N N 15 125.709 0.300 . 1 . . . . 36 PHE N . 11350 1 353 . 1 1 37 37 ASN H H 1 6.780 0.030 . 1 . . . . 37 ASN H . 11350 1 354 . 1 1 37 37 ASN HA H 1 5.114 0.030 . 1 . . . . 37 ASN HA . 11350 1 355 . 1 1 37 37 ASN HB2 H 1 2.177 0.030 . 2 . . . . 37 ASN HB2 . 11350 1 356 . 1 1 37 37 ASN HB3 H 1 2.132 0.030 . 2 . . . . 37 ASN HB3 . 11350 1 357 . 1 1 37 37 ASN HD21 H 1 7.532 0.030 . 2 . . . . 37 ASN HD21 . 11350 1 358 . 1 1 37 37 ASN HD22 H 1 6.823 0.030 . 2 . . . . 37 ASN HD22 . 11350 1 359 . 1 1 37 37 ASN C C 13 172.874 0.300 . 1 . . . . 37 ASN C . 11350 1 360 . 1 1 37 37 ASN CA C 13 50.213 0.300 . 1 . . . . 37 ASN CA . 11350 1 361 . 1 1 37 37 ASN CB C 13 42.214 0.300 . 1 . . . . 37 ASN CB . 11350 1 362 . 1 1 37 37 ASN N N 15 119.008 0.300 . 1 . . . . 37 ASN N . 11350 1 363 . 1 1 37 37 ASN ND2 N 15 115.032 0.300 . 1 . . . . 37 ASN ND2 . 11350 1 364 . 1 1 38 38 CYS H H 1 8.689 0.030 . 1 . . . . 38 CYS H . 11350 1 365 . 1 1 38 38 CYS HA H 1 3.930 0.030 . 1 . . . . 38 CYS HA . 11350 1 366 . 1 1 38 38 CYS HB2 H 1 3.246 0.030 . 2 . . . . 38 CYS HB2 . 11350 1 367 . 1 1 38 38 CYS HB3 H 1 2.709 0.030 . 2 . . . . 38 CYS HB3 . 11350 1 368 . 1 1 38 38 CYS C C 13 177.928 0.300 . 1 . . . . 38 CYS C . 11350 1 369 . 1 1 38 38 CYS CA C 13 59.779 0.300 . 1 . . . . 38 CYS CA . 11350 1 370 . 1 1 38 38 CYS CB C 13 31.171 0.300 . 1 . . . . 38 CYS CB . 11350 1 371 . 1 1 38 38 CYS N N 15 121.861 0.300 . 1 . . . . 38 CYS N . 11350 1 372 . 1 1 39 39 LYS H H 1 9.209 0.030 . 1 . . . . 39 LYS H . 11350 1 373 . 1 1 39 39 LYS HA H 1 4.072 0.030 . 1 . . . . 39 LYS HA . 11350 1 374 . 1 1 39 39 LYS HB2 H 1 2.295 0.030 . 2 . . . . 39 LYS HB2 . 11350 1 375 . 1 1 39 39 LYS HB3 H 1 1.717 0.030 . 2 . . . . 39 LYS HB3 . 11350 1 376 . 1 1 39 39 LYS HD2 H 1 1.864 0.030 . 2 . . . . 39 LYS HD2 . 11350 1 377 . 1 1 39 39 LYS HD3 H 1 1.680 0.030 . 2 . . . . 39 LYS HD3 . 11350 1 378 . 1 1 39 39 LYS HE2 H 1 3.049 0.030 . 1 . . . . 39 LYS HE2 . 11350 1 379 . 1 1 39 39 LYS HE3 H 1 3.049 0.030 . 1 . . . . 39 LYS HE3 . 11350 1 380 . 1 1 39 39 LYS HG2 H 1 1.539 0.030 . 2 . . . . 39 LYS HG2 . 11350 1 381 . 1 1 39 39 LYS HG3 H 1 1.478 0.030 . 2 . . . . 39 LYS HG3 . 11350 1 382 . 1 1 39 39 LYS C C 13 176.874 0.300 . 1 . . . . 39 LYS C . 11350 1 383 . 1 1 39 39 LYS CA C 13 58.380 0.300 . 1 . . . . 39 LYS CA . 11350 1 384 . 1 1 39 39 LYS CB C 13 33.290 0.300 . 1 . . . . 39 LYS CB . 11350 1 385 . 1 1 39 39 LYS CD C 13 28.634 0.300 . 1 . . . . 39 LYS CD . 11350 1 386 . 1 1 39 39 LYS CE C 13 42.323 0.300 . 1 . . . . 39 LYS CE . 11350 1 387 . 1 1 39 39 LYS CG C 13 24.396 0.300 . 1 . . . . 39 LYS CG . 11350 1 388 . 1 1 39 39 LYS N N 15 132.070 0.300 . 1 . . . . 39 LYS N . 11350 1 389 . 1 1 40 40 LYS H H 1 8.640 0.030 . 1 . . . . 40 LYS H . 11350 1 390 . 1 1 40 40 LYS HA H 1 4.378 0.030 . 1 . . . . 40 LYS HA . 11350 1 391 . 1 1 40 40 LYS HB2 H 1 2.163 0.030 . 2 . . . . 40 LYS HB2 . 11350 1 392 . 1 1 40 40 LYS HB3 H 1 1.987 0.030 . 2 . . . . 40 LYS HB3 . 11350 1 393 . 1 1 40 40 LYS HD2 H 1 1.712 0.030 . 1 . . . . 40 LYS HD2 . 11350 1 394 . 1 1 40 40 LYS HD3 H 1 1.712 0.030 . 1 . . . . 40 LYS HD3 . 11350 1 395 . 1 1 40 40 LYS HE2 H 1 2.968 0.030 . 1 . . . . 40 LYS HE2 . 11350 1 396 . 1 1 40 40 LYS HE3 H 1 2.968 0.030 . 1 . . . . 40 LYS HE3 . 11350 1 397 . 1 1 40 40 LYS HG2 H 1 1.391 0.030 . 1 . . . . 40 LYS HG2 . 11350 1 398 . 1 1 40 40 LYS HG3 H 1 1.391 0.030 . 1 . . . . 40 LYS HG3 . 11350 1 399 . 1 1 40 40 LYS C C 13 177.812 0.300 . 1 . . . . 40 LYS C . 11350 1 400 . 1 1 40 40 LYS CA C 13 58.568 0.300 . 1 . . . . 40 LYS CA . 11350 1 401 . 1 1 40 40 LYS CB C 13 33.864 0.300 . 1 . . . . 40 LYS CB . 11350 1 402 . 1 1 40 40 LYS CD C 13 29.083 0.300 . 1 . . . . 40 LYS CD . 11350 1 403 . 1 1 40 40 LYS CE C 13 42.145 0.300 . 1 . . . . 40 LYS CE . 11350 1 404 . 1 1 40 40 LYS CG C 13 25.975 0.300 . 1 . . . . 40 LYS CG . 11350 1 405 . 1 1 40 40 LYS N N 15 118.875 0.300 . 1 . . . . 40 LYS N . 11350 1 406 . 1 1 41 41 CYS H H 1 8.427 0.030 . 1 . . . . 41 CYS H . 11350 1 407 . 1 1 41 41 CYS HA H 1 4.993 0.030 . 1 . . . . 41 CYS HA . 11350 1 408 . 1 1 41 41 CYS HB2 H 1 3.220 0.030 . 2 . . . . 41 CYS HB2 . 11350 1 409 . 1 1 41 41 CYS HB3 H 1 2.520 0.030 . 2 . . . . 41 CYS HB3 . 11350 1 410 . 1 1 41 41 CYS C C 13 176.757 0.300 . 1 . . . . 41 CYS C . 11350 1 411 . 1 1 41 41 CYS CA C 13 59.277 0.300 . 1 . . . . 41 CYS CA . 11350 1 412 . 1 1 41 41 CYS CB C 13 32.503 0.300 . 1 . . . . 41 CYS CB . 11350 1 413 . 1 1 41 41 CYS N N 15 118.913 0.300 . 1 . . . . 41 CYS N . 11350 1 414 . 1 1 42 42 SER H H 1 7.767 0.030 . 1 . . . . 42 SER H . 11350 1 415 . 1 1 42 42 SER HA H 1 4.141 0.030 . 1 . . . . 42 SER HA . 11350 1 416 . 1 1 42 42 SER HB2 H 1 4.170 0.030 . 2 . . . . 42 SER HB2 . 11350 1 417 . 1 1 42 42 SER HB3 H 1 4.019 0.030 . 2 . . . . 42 SER HB3 . 11350 1 418 . 1 1 42 42 SER C C 13 172.401 0.300 . 1 . . . . 42 SER C . 11350 1 419 . 1 1 42 42 SER CA C 13 61.379 0.300 . 1 . . . . 42 SER CA . 11350 1 420 . 1 1 42 42 SER CB C 13 62.370 0.300 . 1 . . . . 42 SER CB . 11350 1 421 . 1 1 42 42 SER N N 15 115.333 0.300 . 1 . . . . 42 SER N . 11350 1 422 . 1 1 43 43 LEU H H 1 8.331 0.030 . 1 . . . . 43 LEU H . 11350 1 423 . 1 1 43 43 LEU HA H 1 4.099 0.030 . 1 . . . . 43 LEU HA . 11350 1 424 . 1 1 43 43 LEU HB2 H 1 1.828 0.030 . 2 . . . . 43 LEU HB2 . 11350 1 425 . 1 1 43 43 LEU HB3 H 1 1.353 0.030 . 2 . . . . 43 LEU HB3 . 11350 1 426 . 1 1 43 43 LEU HD11 H 1 0.930 0.030 . 1 . . . . 43 LEU HD1 . 11350 1 427 . 1 1 43 43 LEU HD12 H 1 0.930 0.030 . 1 . . . . 43 LEU HD1 . 11350 1 428 . 1 1 43 43 LEU HD13 H 1 0.930 0.030 . 1 . . . . 43 LEU HD1 . 11350 1 429 . 1 1 43 43 LEU HD21 H 1 0.849 0.030 . 1 . . . . 43 LEU HD2 . 11350 1 430 . 1 1 43 43 LEU HD22 H 1 0.849 0.030 . 1 . . . . 43 LEU HD2 . 11350 1 431 . 1 1 43 43 LEU HD23 H 1 0.849 0.030 . 1 . . . . 43 LEU HD2 . 11350 1 432 . 1 1 43 43 LEU HG H 1 1.780 0.030 . 1 . . . . 43 LEU HG . 11350 1 433 . 1 1 43 43 LEU C C 13 177.107 0.300 . 1 . . . . 43 LEU C . 11350 1 434 . 1 1 43 43 LEU CA C 13 56.074 0.300 . 1 . . . . 43 LEU CA . 11350 1 435 . 1 1 43 43 LEU CB C 13 43.791 0.300 . 1 . . . . 43 LEU CB . 11350 1 436 . 1 1 43 43 LEU CD1 C 13 24.128 0.300 . 2 . . . . 43 LEU CD1 . 11350 1 437 . 1 1 43 43 LEU CD2 C 13 24.830 0.300 . 2 . . . . 43 LEU CD2 . 11350 1 438 . 1 1 43 43 LEU CG C 13 26.305 0.300 . 1 . . . . 43 LEU CG . 11350 1 439 . 1 1 43 43 LEU N N 15 124.813 0.300 . 1 . . . . 43 LEU N . 11350 1 440 . 1 1 44 44 SER H H 1 8.429 0.030 . 1 . . . . 44 SER H . 11350 1 441 . 1 1 44 44 SER HA H 1 4.765 0.030 . 1 . . . . 44 SER HA . 11350 1 442 . 1 1 44 44 SER HB2 H 1 3.990 0.030 . 2 . . . . 44 SER HB2 . 11350 1 443 . 1 1 44 44 SER HB3 H 1 3.683 0.030 . 2 . . . . 44 SER HB3 . 11350 1 444 . 1 1 44 44 SER C C 13 176.764 0.300 . 1 . . . . 44 SER C . 11350 1 445 . 1 1 44 44 SER CA C 13 59.121 0.300 . 1 . . . . 44 SER CA . 11350 1 446 . 1 1 44 44 SER CB C 13 63.265 0.300 . 1 . . . . 44 SER CB . 11350 1 447 . 1 1 44 44 SER N N 15 117.187 0.300 . 1 . . . . 44 SER N . 11350 1 448 . 1 1 45 45 LEU H H 1 8.865 0.030 . 1 . . . . 45 LEU H . 11350 1 449 . 1 1 45 45 LEU HA H 1 4.340 0.030 . 1 . . . . 45 LEU HA . 11350 1 450 . 1 1 45 45 LEU HB2 H 1 1.227 0.030 . 2 . . . . 45 LEU HB2 . 11350 1 451 . 1 1 45 45 LEU HB3 H 1 0.709 0.030 . 2 . . . . 45 LEU HB3 . 11350 1 452 . 1 1 45 45 LEU HD11 H 1 -0.100 0.030 . 1 . . . . 45 LEU HD1 . 11350 1 453 . 1 1 45 45 LEU HD12 H 1 -0.100 0.030 . 1 . . . . 45 LEU HD1 . 11350 1 454 . 1 1 45 45 LEU HD13 H 1 -0.100 0.030 . 1 . . . . 45 LEU HD1 . 11350 1 455 . 1 1 45 45 LEU HD21 H 1 0.657 0.030 . 1 . . . . 45 LEU HD2 . 11350 1 456 . 1 1 45 45 LEU HD22 H 1 0.657 0.030 . 1 . . . . 45 LEU HD2 . 11350 1 457 . 1 1 45 45 LEU HD23 H 1 0.657 0.030 . 1 . . . . 45 LEU HD2 . 11350 1 458 . 1 1 45 45 LEU HG H 1 1.330 0.030 . 1 . . . . 45 LEU HG . 11350 1 459 . 1 1 45 45 LEU C C 13 176.299 0.300 . 1 . . . . 45 LEU C . 11350 1 460 . 1 1 45 45 LEU CA C 13 53.773 0.300 . 1 . . . . 45 LEU CA . 11350 1 461 . 1 1 45 45 LEU CB C 13 41.305 0.300 . 1 . . . . 45 LEU CB . 11350 1 462 . 1 1 45 45 LEU CD1 C 13 24.952 0.300 . 2 . . . . 45 LEU CD1 . 11350 1 463 . 1 1 45 45 LEU CD2 C 13 22.225 0.300 . 2 . . . . 45 LEU CD2 . 11350 1 464 . 1 1 45 45 LEU CG C 13 25.986 0.300 . 1 . . . . 45 LEU CG . 11350 1 465 . 1 1 45 45 LEU N N 15 127.661 0.300 . 1 . . . . 45 LEU N . 11350 1 466 . 1 1 46 46 VAL H H 1 7.616 0.030 . 1 . . . . 46 VAL H . 11350 1 467 . 1 1 46 46 VAL HA H 1 3.560 0.030 . 1 . . . . 46 VAL HA . 11350 1 468 . 1 1 46 46 VAL HB H 1 1.915 0.030 . 1 . . . . 46 VAL HB . 11350 1 469 . 1 1 46 46 VAL HG11 H 1 1.137 0.030 . 1 . . . . 46 VAL HG1 . 11350 1 470 . 1 1 46 46 VAL HG12 H 1 1.137 0.030 . 1 . . . . 46 VAL HG1 . 11350 1 471 . 1 1 46 46 VAL HG13 H 1 1.137 0.030 . 1 . . . . 46 VAL HG1 . 11350 1 472 . 1 1 46 46 VAL HG21 H 1 0.877 0.030 . 1 . . . . 46 VAL HG2 . 11350 1 473 . 1 1 46 46 VAL HG22 H 1 0.877 0.030 . 1 . . . . 46 VAL HG2 . 11350 1 474 . 1 1 46 46 VAL HG23 H 1 0.877 0.030 . 1 . . . . 46 VAL HG2 . 11350 1 475 . 1 1 46 46 VAL C C 13 178.073 0.300 . 1 . . . . 46 VAL C . 11350 1 476 . 1 1 46 46 VAL CA C 13 65.175 0.300 . 1 . . . . 46 VAL CA . 11350 1 477 . 1 1 46 46 VAL CB C 13 31.580 0.300 . 1 . . . . 46 VAL CB . 11350 1 478 . 1 1 46 46 VAL CG1 C 13 22.802 0.300 . 2 . . . . 46 VAL CG1 . 11350 1 479 . 1 1 46 46 VAL CG2 C 13 20.752 0.300 . 2 . . . . 46 VAL CG2 . 11350 1 480 . 1 1 46 46 VAL N N 15 120.915 0.300 . 1 . . . . 46 VAL N . 11350 1 481 . 1 1 47 47 GLY H H 1 8.930 0.030 . 1 . . . . 47 GLY H . 11350 1 482 . 1 1 47 47 GLY HA2 H 1 4.064 0.030 . 2 . . . . 47 GLY HA2 . 11350 1 483 . 1 1 47 47 GLY HA3 H 1 3.824 0.030 . 2 . . . . 47 GLY HA3 . 11350 1 484 . 1 1 47 47 GLY C C 13 173.725 0.300 . 1 . . . . 47 GLY C . 11350 1 485 . 1 1 47 47 GLY CA C 13 45.931 0.300 . 1 . . . . 47 GLY CA . 11350 1 486 . 1 1 47 47 GLY N N 15 116.627 0.300 . 1 . . . . 47 GLY N . 11350 1 487 . 1 1 48 48 ARG H H 1 7.866 0.030 . 1 . . . . 48 ARG H . 11350 1 488 . 1 1 48 48 ARG HA H 1 4.755 0.030 . 1 . . . . 48 ARG HA . 11350 1 489 . 1 1 48 48 ARG HB2 H 1 2.023 0.030 . 2 . . . . 48 ARG HB2 . 11350 1 490 . 1 1 48 48 ARG HB3 H 1 1.659 0.030 . 2 . . . . 48 ARG HB3 . 11350 1 491 . 1 1 48 48 ARG HD2 H 1 3.283 0.030 . 1 . . . . 48 ARG HD2 . 11350 1 492 . 1 1 48 48 ARG HD3 H 1 3.283 0.030 . 1 . . . . 48 ARG HD3 . 11350 1 493 . 1 1 48 48 ARG HG2 H 1 1.592 0.030 . 2 . . . . 48 ARG HG2 . 11350 1 494 . 1 1 48 48 ARG HG3 H 1 1.479 0.030 . 2 . . . . 48 ARG HG3 . 11350 1 495 . 1 1 48 48 ARG C C 13 175.514 0.300 . 1 . . . . 48 ARG C . 11350 1 496 . 1 1 48 48 ARG CA C 13 54.427 0.300 . 1 . . . . 48 ARG CA . 11350 1 497 . 1 1 48 48 ARG CB C 13 33.340 0.300 . 1 . . . . 48 ARG CB . 11350 1 498 . 1 1 48 48 ARG CD C 13 43.448 0.300 . 1 . . . . 48 ARG CD . 11350 1 499 . 1 1 48 48 ARG CG C 13 26.733 0.300 . 1 . . . . 48 ARG CG . 11350 1 500 . 1 1 48 48 ARG N N 15 118.629 0.300 . 1 . . . . 48 ARG N . 11350 1 501 . 1 1 49 49 GLY H H 1 8.115 0.030 . 1 . . . . 49 GLY H . 11350 1 502 . 1 1 49 49 GLY HA2 H 1 4.088 0.030 . 2 . . . . 49 GLY HA2 . 11350 1 503 . 1 1 49 49 GLY HA3 H 1 3.602 0.030 . 2 . . . . 49 GLY HA3 . 11350 1 504 . 1 1 49 49 GLY C C 13 172.001 0.300 . 1 . . . . 49 GLY C . 11350 1 505 . 1 1 49 49 GLY CA C 13 45.236 0.300 . 1 . . . . 49 GLY CA . 11350 1 506 . 1 1 49 49 GLY N N 15 106.580 0.300 . 1 . . . . 49 GLY N . 11350 1 507 . 1 1 50 50 PHE H H 1 7.448 0.030 . 1 . . . . 50 PHE H . 11350 1 508 . 1 1 50 50 PHE HA H 1 4.909 0.030 . 1 . . . . 50 PHE HA . 11350 1 509 . 1 1 50 50 PHE HB2 H 1 2.861 0.030 . 2 . . . . 50 PHE HB2 . 11350 1 510 . 1 1 50 50 PHE HB3 H 1 2.801 0.030 . 2 . . . . 50 PHE HB3 . 11350 1 511 . 1 1 50 50 PHE HD1 H 1 7.000 0.030 . 1 . . . . 50 PHE HD1 . 11350 1 512 . 1 1 50 50 PHE HD2 H 1 7.000 0.030 . 1 . . . . 50 PHE HD2 . 11350 1 513 . 1 1 50 50 PHE HE1 H 1 6.700 0.030 . 1 . . . . 50 PHE HE1 . 11350 1 514 . 1 1 50 50 PHE HE2 H 1 6.700 0.030 . 1 . . . . 50 PHE HE2 . 11350 1 515 . 1 1 50 50 PHE HZ H 1 6.314 0.030 . 1 . . . . 50 PHE HZ . 11350 1 516 . 1 1 50 50 PHE C C 13 172.962 0.300 . 1 . . . . 50 PHE C . 11350 1 517 . 1 1 50 50 PHE CA C 13 55.615 0.300 . 1 . . . . 50 PHE CA . 11350 1 518 . 1 1 50 50 PHE CB C 13 42.642 0.300 . 1 . . . . 50 PHE CB . 11350 1 519 . 1 1 50 50 PHE CD1 C 13 132.586 0.300 . 1 . . . . 50 PHE CD1 . 11350 1 520 . 1 1 50 50 PHE CD2 C 13 132.586 0.300 . 1 . . . . 50 PHE CD2 . 11350 1 521 . 1 1 50 50 PHE CE1 C 13 130.676 0.300 . 1 . . . . 50 PHE CE1 . 11350 1 522 . 1 1 50 50 PHE CE2 C 13 130.676 0.300 . 1 . . . . 50 PHE CE2 . 11350 1 523 . 1 1 50 50 PHE CZ C 13 129.470 0.300 . 1 . . . . 50 PHE CZ . 11350 1 524 . 1 1 50 50 PHE N N 15 113.497 0.300 . 1 . . . . 50 PHE N . 11350 1 525 . 1 1 51 51 LEU H H 1 9.334 0.030 . 1 . . . . 51 LEU H . 11350 1 526 . 1 1 51 51 LEU HA H 1 4.658 0.030 . 1 . . . . 51 LEU HA . 11350 1 527 . 1 1 51 51 LEU HB2 H 1 1.580 0.030 . 2 . . . . 51 LEU HB2 . 11350 1 528 . 1 1 51 51 LEU HB3 H 1 1.361 0.030 . 2 . . . . 51 LEU HB3 . 11350 1 529 . 1 1 51 51 LEU HD11 H 1 0.802 0.030 . 1 . . . . 51 LEU HD1 . 11350 1 530 . 1 1 51 51 LEU HD12 H 1 0.802 0.030 . 1 . . . . 51 LEU HD1 . 11350 1 531 . 1 1 51 51 LEU HD13 H 1 0.802 0.030 . 1 . . . . 51 LEU HD1 . 11350 1 532 . 1 1 51 51 LEU HD21 H 1 0.813 0.030 . 1 . . . . 51 LEU HD2 . 11350 1 533 . 1 1 51 51 LEU HD22 H 1 0.813 0.030 . 1 . . . . 51 LEU HD2 . 11350 1 534 . 1 1 51 51 LEU HD23 H 1 0.813 0.030 . 1 . . . . 51 LEU HD2 . 11350 1 535 . 1 1 51 51 LEU HG H 1 1.381 0.030 . 1 . . . . 51 LEU HG . 11350 1 536 . 1 1 51 51 LEU C C 13 175.579 0.300 . 1 . . . . 51 LEU C . 11350 1 537 . 1 1 51 51 LEU CA C 13 53.309 0.300 . 1 . . . . 51 LEU CA . 11350 1 538 . 1 1 51 51 LEU CB C 13 45.291 0.300 . 1 . . . . 51 LEU CB . 11350 1 539 . 1 1 51 51 LEU CD1 C 13 26.015 0.300 . 2 . . . . 51 LEU CD1 . 11350 1 540 . 1 1 51 51 LEU CD2 C 13 24.281 0.300 . 2 . . . . 51 LEU CD2 . 11350 1 541 . 1 1 51 51 LEU CG C 13 27.535 0.300 . 1 . . . . 51 LEU CG . 11350 1 542 . 1 1 51 51 LEU N N 15 121.657 0.300 . 1 . . . . 51 LEU N . 11350 1 543 . 1 1 52 52 THR H H 1 8.099 0.030 . 1 . . . . 52 THR H . 11350 1 544 . 1 1 52 52 THR HA H 1 5.249 0.030 . 1 . . . . 52 THR HA . 11350 1 545 . 1 1 52 52 THR HB H 1 4.329 0.030 . 1 . . . . 52 THR HB . 11350 1 546 . 1 1 52 52 THR HG21 H 1 1.287 0.030 . 1 . . . . 52 THR HG2 . 11350 1 547 . 1 1 52 52 THR HG22 H 1 1.287 0.030 . 1 . . . . 52 THR HG2 . 11350 1 548 . 1 1 52 52 THR HG23 H 1 1.287 0.030 . 1 . . . . 52 THR HG2 . 11350 1 549 . 1 1 52 52 THR C C 13 174.270 0.300 . 1 . . . . 52 THR C . 11350 1 550 . 1 1 52 52 THR CA C 13 59.296 0.300 . 1 . . . . 52 THR CA . 11350 1 551 . 1 1 52 52 THR CB C 13 71.428 0.300 . 1 . . . . 52 THR CB . 11350 1 552 . 1 1 52 52 THR CG2 C 13 22.102 0.300 . 1 . . . . 52 THR CG2 . 11350 1 553 . 1 1 52 52 THR N N 15 109.421 0.300 . 1 . . . . 52 THR N . 11350 1 554 . 1 1 53 53 GLU H H 1 8.066 0.030 . 1 . . . . 53 GLU H . 11350 1 555 . 1 1 53 53 GLU HA H 1 4.438 0.030 . 1 . . . . 53 GLU HA . 11350 1 556 . 1 1 53 53 GLU HB2 H 1 1.918 0.030 . 2 . . . . 53 GLU HB2 . 11350 1 557 . 1 1 53 53 GLU HB3 H 1 1.774 0.030 . 2 . . . . 53 GLU HB3 . 11350 1 558 . 1 1 53 53 GLU HG2 H 1 2.129 0.030 . 1 . . . . 53 GLU HG2 . 11350 1 559 . 1 1 53 53 GLU HG3 H 1 2.129 0.030 . 1 . . . . 53 GLU HG3 . 11350 1 560 . 1 1 53 53 GLU C C 13 175.048 0.300 . 1 . . . . 53 GLU C . 11350 1 561 . 1 1 53 53 GLU CA C 13 56.175 0.300 . 1 . . . . 53 GLU CA . 11350 1 562 . 1 1 53 53 GLU CB C 13 31.830 0.300 . 1 . . . . 53 GLU CB . 11350 1 563 . 1 1 53 53 GLU CG C 13 36.428 0.300 . 1 . . . . 53 GLU CG . 11350 1 564 . 1 1 53 53 GLU N N 15 123.568 0.300 . 1 . . . . 53 GLU N . 11350 1 565 . 1 1 54 54 ARG H H 1 9.258 0.030 . 1 . . . . 54 ARG H . 11350 1 566 . 1 1 54 54 ARG HA H 1 3.786 0.030 . 1 . . . . 54 ARG HA . 11350 1 567 . 1 1 54 54 ARG HB2 H 1 2.212 0.030 . 2 . . . . 54 ARG HB2 . 11350 1 568 . 1 1 54 54 ARG HB3 H 1 1.919 0.030 . 2 . . . . 54 ARG HB3 . 11350 1 569 . 1 1 54 54 ARG HD2 H 1 3.311 0.030 . 2 . . . . 54 ARG HD2 . 11350 1 570 . 1 1 54 54 ARG HD3 H 1 3.230 0.030 . 2 . . . . 54 ARG HD3 . 11350 1 571 . 1 1 54 54 ARG HG2 H 1 1.710 0.030 . 2 . . . . 54 ARG HG2 . 11350 1 572 . 1 1 54 54 ARG HG3 H 1 1.660 0.030 . 2 . . . . 54 ARG HG3 . 11350 1 573 . 1 1 54 54 ARG C C 13 176.219 0.300 . 1 . . . . 54 ARG C . 11350 1 574 . 1 1 54 54 ARG CA C 13 58.736 0.300 . 1 . . . . 54 ARG CA . 11350 1 575 . 1 1 54 54 ARG CB C 13 27.545 0.300 . 1 . . . . 54 ARG CB . 11350 1 576 . 1 1 54 54 ARG CD C 13 43.315 0.300 . 1 . . . . 54 ARG CD . 11350 1 577 . 1 1 54 54 ARG CG C 13 27.934 0.300 . 1 . . . . 54 ARG CG . 11350 1 578 . 1 1 54 54 ARG N N 15 125.355 0.300 . 1 . . . . 54 ARG N . 11350 1 579 . 1 1 55 55 ASP H H 1 8.620 0.030 . 1 . . . . 55 ASP H . 11350 1 580 . 1 1 55 55 ASP HA H 1 4.798 0.030 . 1 . . . . 55 ASP HA . 11350 1 581 . 1 1 55 55 ASP HB2 H 1 2.933 0.030 . 2 . . . . 55 ASP HB2 . 11350 1 582 . 1 1 55 55 ASP HB3 H 1 2.780 0.030 . 2 . . . . 55 ASP HB3 . 11350 1 583 . 1 1 55 55 ASP C C 13 175.841 0.300 . 1 . . . . 55 ASP C . 11350 1 584 . 1 1 55 55 ASP CA C 13 55.475 0.300 . 1 . . . . 55 ASP CA . 11350 1 585 . 1 1 55 55 ASP CB C 13 40.992 0.300 . 1 . . . . 55 ASP CB . 11350 1 586 . 1 1 55 55 ASP N N 15 121.642 0.300 . 1 . . . . 55 ASP N . 11350 1 587 . 1 1 56 56 ASP H H 1 8.504 0.030 . 1 . . . . 56 ASP H . 11350 1 588 . 1 1 56 56 ASP HA H 1 5.028 0.030 . 1 . . . . 56 ASP HA . 11350 1 589 . 1 1 56 56 ASP HB2 H 1 2.941 0.030 . 2 . . . . 56 ASP HB2 . 11350 1 590 . 1 1 56 56 ASP HB3 H 1 2.403 0.030 . 2 . . . . 56 ASP HB3 . 11350 1 591 . 1 1 56 56 ASP C C 13 175.987 0.300 . 1 . . . . 56 ASP C . 11350 1 592 . 1 1 56 56 ASP CA C 13 54.443 0.300 . 1 . . . . 56 ASP CA . 11350 1 593 . 1 1 56 56 ASP CB C 13 42.808 0.300 . 1 . . . . 56 ASP CB . 11350 1 594 . 1 1 56 56 ASP N N 15 121.296 0.300 . 1 . . . . 56 ASP N . 11350 1 595 . 1 1 57 57 ILE H H 1 8.271 0.030 . 1 . . . . 57 ILE H . 11350 1 596 . 1 1 57 57 ILE HA H 1 4.819 0.030 . 1 . . . . 57 ILE HA . 11350 1 597 . 1 1 57 57 ILE HB H 1 1.161 0.030 . 1 . . . . 57 ILE HB . 11350 1 598 . 1 1 57 57 ILE HD11 H 1 -0.334 0.030 . 1 . . . . 57 ILE HD1 . 11350 1 599 . 1 1 57 57 ILE HD12 H 1 -0.334 0.030 . 1 . . . . 57 ILE HD1 . 11350 1 600 . 1 1 57 57 ILE HD13 H 1 -0.334 0.030 . 1 . . . . 57 ILE HD1 . 11350 1 601 . 1 1 57 57 ILE HG12 H 1 1.121 0.030 . 2 . . . . 57 ILE HG12 . 11350 1 602 . 1 1 57 57 ILE HG13 H 1 1.030 0.030 . 2 . . . . 57 ILE HG13 . 11350 1 603 . 1 1 57 57 ILE HG21 H 1 0.311 0.030 . 1 . . . . 57 ILE HG2 . 11350 1 604 . 1 1 57 57 ILE HG22 H 1 0.311 0.030 . 1 . . . . 57 ILE HG2 . 11350 1 605 . 1 1 57 57 ILE HG23 H 1 0.311 0.030 . 1 . . . . 57 ILE HG2 . 11350 1 606 . 1 1 57 57 ILE C C 13 174.038 0.300 . 1 . . . . 57 ILE C . 11350 1 607 . 1 1 57 57 ILE CA C 13 59.629 0.300 . 1 . . . . 57 ILE CA . 11350 1 608 . 1 1 57 57 ILE CB C 13 39.142 0.300 . 1 . . . . 57 ILE CB . 11350 1 609 . 1 1 57 57 ILE CD1 C 13 12.707 0.300 . 1 . . . . 57 ILE CD1 . 11350 1 610 . 1 1 57 57 ILE CG1 C 13 24.896 0.300 . 1 . . . . 57 ILE CG1 . 11350 1 611 . 1 1 57 57 ILE CG2 C 13 18.100 0.300 . 1 . . . . 57 ILE CG2 . 11350 1 612 . 1 1 57 57 ILE N N 15 118.669 0.300 . 1 . . . . 57 ILE N . 11350 1 613 . 1 1 58 58 LEU H H 1 8.620 0.030 . 1 . . . . 58 LEU H . 11350 1 614 . 1 1 58 58 LEU HA H 1 5.688 0.030 . 1 . . . . 58 LEU HA . 11350 1 615 . 1 1 58 58 LEU HB2 H 1 1.505 0.030 . 2 . . . . 58 LEU HB2 . 11350 1 616 . 1 1 58 58 LEU HB3 H 1 1.290 0.030 . 2 . . . . 58 LEU HB3 . 11350 1 617 . 1 1 58 58 LEU HD11 H 1 0.784 0.030 . 1 . . . . 58 LEU HD1 . 11350 1 618 . 1 1 58 58 LEU HD12 H 1 0.784 0.030 . 1 . . . . 58 LEU HD1 . 11350 1 619 . 1 1 58 58 LEU HD13 H 1 0.784 0.030 . 1 . . . . 58 LEU HD1 . 11350 1 620 . 1 1 58 58 LEU HD21 H 1 0.970 0.030 . 1 . . . . 58 LEU HD2 . 11350 1 621 . 1 1 58 58 LEU HD22 H 1 0.970 0.030 . 1 . . . . 58 LEU HD2 . 11350 1 622 . 1 1 58 58 LEU HD23 H 1 0.970 0.030 . 1 . . . . 58 LEU HD2 . 11350 1 623 . 1 1 58 58 LEU HG H 1 1.440 0.030 . 1 . . . . 58 LEU HG . 11350 1 624 . 1 1 58 58 LEU C C 13 175.972 0.300 . 1 . . . . 58 LEU C . 11350 1 625 . 1 1 58 58 LEU CA C 13 52.746 0.300 . 1 . . . . 58 LEU CA . 11350 1 626 . 1 1 58 58 LEU CB C 13 47.607 0.300 . 1 . . . . 58 LEU CB . 11350 1 627 . 1 1 58 58 LEU CD1 C 13 26.727 0.300 . 2 . . . . 58 LEU CD1 . 11350 1 628 . 1 1 58 58 LEU CD2 C 13 25.557 0.300 . 2 . . . . 58 LEU CD2 . 11350 1 629 . 1 1 58 58 LEU CG C 13 27.599 0.300 . 1 . . . . 58 LEU CG . 11350 1 630 . 1 1 58 58 LEU N N 15 122.512 0.300 . 1 . . . . 58 LEU N . 11350 1 631 . 1 1 59 59 CYS H H 1 9.621 0.030 . 1 . . . . 59 CYS H . 11350 1 632 . 1 1 59 59 CYS HA H 1 4.860 0.030 . 1 . . . . 59 CYS HA . 11350 1 633 . 1 1 59 59 CYS HB2 H 1 3.292 0.030 . 2 . . . . 59 CYS HB2 . 11350 1 634 . 1 1 59 59 CYS HB3 H 1 2.821 0.030 . 2 . . . . 59 CYS HB3 . 11350 1 635 . 1 1 59 59 CYS C C 13 173.788 0.300 . 1 . . . . 59 CYS C . 11350 1 636 . 1 1 59 59 CYS CA C 13 56.733 0.300 . 1 . . . . 59 CYS CA . 11350 1 637 . 1 1 59 59 CYS CB C 13 29.350 0.300 . 1 . . . . 59 CYS CB . 11350 1 638 . 1 1 59 59 CYS N N 15 120.622 0.300 . 1 . . . . 59 CYS N . 11350 1 639 . 1 1 60 60 PRO HA H 1 4.041 0.030 . 1 . . . . 60 PRO HA . 11350 1 640 . 1 1 60 60 PRO HB2 H 1 2.272 0.030 . 2 . . . . 60 PRO HB2 . 11350 1 641 . 1 1 60 60 PRO HB3 H 1 1.799 0.030 . 2 . . . . 60 PRO HB3 . 11350 1 642 . 1 1 60 60 PRO HD2 H 1 3.884 0.030 . 2 . . . . 60 PRO HD2 . 11350 1 643 . 1 1 60 60 PRO HD3 H 1 3.631 0.030 . 2 . . . . 60 PRO HD3 . 11350 1 644 . 1 1 60 60 PRO HG2 H 1 1.582 0.030 . 2 . . . . 60 PRO HG2 . 11350 1 645 . 1 1 60 60 PRO HG3 H 1 2.053 0.030 . 2 . . . . 60 PRO HG3 . 11350 1 646 . 1 1 60 60 PRO C C 13 178.290 0.300 . 1 . . . . 60 PRO C . 11350 1 647 . 1 1 60 60 PRO CA C 13 65.194 0.300 . 1 . . . . 60 PRO CA . 11350 1 648 . 1 1 60 60 PRO CB C 13 31.799 0.300 . 1 . . . . 60 PRO CB . 11350 1 649 . 1 1 60 60 PRO CD C 13 50.247 0.300 . 1 . . . . 60 PRO CD . 11350 1 650 . 1 1 60 60 PRO CG C 13 28.575 0.300 . 1 . . . . 60 PRO CG . 11350 1 651 . 1 1 61 61 ASP H H 1 7.661 0.030 . 1 . . . . 61 ASP H . 11350 1 652 . 1 1 61 61 ASP HA H 1 4.478 0.030 . 1 . . . . 61 ASP HA . 11350 1 653 . 1 1 61 61 ASP HB2 H 1 2.729 0.030 . 2 . . . . 61 ASP HB2 . 11350 1 654 . 1 1 61 61 ASP HB3 H 1 2.678 0.030 . 2 . . . . 61 ASP HB3 . 11350 1 655 . 1 1 61 61 ASP C C 13 178.423 0.300 . 1 . . . . 61 ASP C . 11350 1 656 . 1 1 61 61 ASP CA C 13 57.350 0.300 . 1 . . . . 61 ASP CA . 11350 1 657 . 1 1 61 61 ASP CB C 13 41.410 0.300 . 1 . . . . 61 ASP CB . 11350 1 658 . 1 1 61 61 ASP N N 15 115.960 0.300 . 1 . . . . 61 ASP N . 11350 1 659 . 1 1 62 62 CYS H H 1 8.720 0.030 . 1 . . . . 62 CYS H . 11350 1 660 . 1 1 62 62 CYS HA H 1 4.028 0.030 . 1 . . . . 62 CYS HA . 11350 1 661 . 1 1 62 62 CYS HB2 H 1 2.898 0.030 . 2 . . . . 62 CYS HB2 . 11350 1 662 . 1 1 62 62 CYS HB3 H 1 2.828 0.030 . 2 . . . . 62 CYS HB3 . 11350 1 663 . 1 1 62 62 CYS C C 13 177.782 0.300 . 1 . . . . 62 CYS C . 11350 1 664 . 1 1 62 62 CYS CA C 13 63.606 0.300 . 1 . . . . 62 CYS CA . 11350 1 665 . 1 1 62 62 CYS CB C 13 30.451 0.300 . 1 . . . . 62 CYS CB . 11350 1 666 . 1 1 62 62 CYS N N 15 124.036 0.300 . 1 . . . . 62 CYS N . 11350 1 667 . 1 1 63 63 GLY H H 1 8.299 0.030 . 1 . . . . 63 GLY H . 11350 1 668 . 1 1 63 63 GLY HA2 H 1 4.082 0.030 . 2 . . . . 63 GLY HA2 . 11350 1 669 . 1 1 63 63 GLY HA3 H 1 3.381 0.030 . 2 . . . . 63 GLY HA3 . 11350 1 670 . 1 1 63 63 GLY C C 13 173.696 0.300 . 1 . . . . 63 GLY C . 11350 1 671 . 1 1 63 63 GLY CA C 13 45.667 0.300 . 1 . . . . 63 GLY CA . 11350 1 672 . 1 1 63 63 GLY N N 15 105.149 0.300 . 1 . . . . 63 GLY N . 11350 1 673 . 1 1 64 64 LYS H H 1 7.339 0.030 . 1 . . . . 64 LYS H . 11350 1 674 . 1 1 64 64 LYS HA H 1 4.130 0.030 . 1 . . . . 64 LYS HA . 11350 1 675 . 1 1 64 64 LYS HB2 H 1 1.864 0.030 . 1 . . . . 64 LYS HB2 . 11350 1 676 . 1 1 64 64 LYS HB3 H 1 1.864 0.030 . 1 . . . . 64 LYS HB3 . 11350 1 677 . 1 1 64 64 LYS HD2 H 1 1.685 0.030 . 1 . . . . 64 LYS HD2 . 11350 1 678 . 1 1 64 64 LYS HD3 H 1 1.685 0.030 . 1 . . . . 64 LYS HD3 . 11350 1 679 . 1 1 64 64 LYS HE2 H 1 2.995 0.030 . 1 . . . . 64 LYS HE2 . 11350 1 680 . 1 1 64 64 LYS HE3 H 1 2.995 0.030 . 1 . . . . 64 LYS HE3 . 11350 1 681 . 1 1 64 64 LYS HG2 H 1 1.439 0.030 . 1 . . . . 64 LYS HG2 . 11350 1 682 . 1 1 64 64 LYS HG3 H 1 1.439 0.030 . 1 . . . . 64 LYS HG3 . 11350 1 683 . 1 1 64 64 LYS C C 13 176.409 0.300 . 1 . . . . 64 LYS C . 11350 1 684 . 1 1 64 64 LYS CA C 13 57.711 0.300 . 1 . . . . 64 LYS CA . 11350 1 685 . 1 1 64 64 LYS CB C 13 32.654 0.300 . 1 . . . . 64 LYS CB . 11350 1 686 . 1 1 64 64 LYS CD C 13 29.308 0.300 . 1 . . . . 64 LYS CD . 11350 1 687 . 1 1 64 64 LYS CE C 13 42.145 0.300 . 1 . . . . 64 LYS CE . 11350 1 688 . 1 1 64 64 LYS CG C 13 24.316 0.300 . 1 . . . . 64 LYS CG . 11350 1 689 . 1 1 64 64 LYS N N 15 120.093 0.300 . 1 . . . . 64 LYS N . 11350 1 690 . 1 1 65 65 ASP H H 1 8.119 0.030 . 1 . . . . 65 ASP H . 11350 1 691 . 1 1 65 65 ASP HA H 1 4.646 0.030 . 1 . . . . 65 ASP HA . 11350 1 692 . 1 1 65 65 ASP HB2 H 1 2.742 0.030 . 2 . . . . 65 ASP HB2 . 11350 1 693 . 1 1 65 65 ASP HB3 H 1 2.575 0.030 . 2 . . . . 65 ASP HB3 . 11350 1 694 . 1 1 65 65 ASP C C 13 176.539 0.300 . 1 . . . . 65 ASP C . 11350 1 695 . 1 1 65 65 ASP CA C 13 54.542 0.300 . 1 . . . . 65 ASP CA . 11350 1 696 . 1 1 65 65 ASP CB C 13 40.976 0.300 . 1 . . . . 65 ASP CB . 11350 1 697 . 1 1 65 65 ASP N N 15 119.688 0.300 . 1 . . . . 65 ASP N . 11350 1 698 . 1 1 66 66 ILE H H 1 7.782 0.030 . 1 . . . . 66 ILE H . 11350 1 699 . 1 1 66 66 ILE HA H 1 4.162 0.030 . 1 . . . . 66 ILE HA . 11350 1 700 . 1 1 66 66 ILE HB H 1 1.931 0.030 . 1 . . . . 66 ILE HB . 11350 1 701 . 1 1 66 66 ILE HD11 H 1 0.829 0.030 . 1 . . . . 66 ILE HD1 . 11350 1 702 . 1 1 66 66 ILE HD12 H 1 0.829 0.030 . 1 . . . . 66 ILE HD1 . 11350 1 703 . 1 1 66 66 ILE HD13 H 1 0.829 0.030 . 1 . . . . 66 ILE HD1 . 11350 1 704 . 1 1 66 66 ILE HG12 H 1 1.409 0.030 . 2 . . . . 66 ILE HG12 . 11350 1 705 . 1 1 66 66 ILE HG13 H 1 1.160 0.030 . 2 . . . . 66 ILE HG13 . 11350 1 706 . 1 1 66 66 ILE HG21 H 1 0.892 0.030 . 1 . . . . 66 ILE HG2 . 11350 1 707 . 1 1 66 66 ILE HG22 H 1 0.892 0.030 . 1 . . . . 66 ILE HG2 . 11350 1 708 . 1 1 66 66 ILE HG23 H 1 0.892 0.030 . 1 . . . . 66 ILE HG2 . 11350 1 709 . 1 1 66 66 ILE C C 13 176.575 0.300 . 1 . . . . 66 ILE C . 11350 1 710 . 1 1 66 66 ILE CA C 13 61.769 0.300 . 1 . . . . 66 ILE CA . 11350 1 711 . 1 1 66 66 ILE CB C 13 38.570 0.300 . 1 . . . . 66 ILE CB . 11350 1 712 . 1 1 66 66 ILE CD1 C 13 13.664 0.300 . 1 . . . . 66 ILE CD1 . 11350 1 713 . 1 1 66 66 ILE CG1 C 13 27.238 0.300 . 1 . . . . 66 ILE CG1 . 11350 1 714 . 1 1 66 66 ILE CG2 C 13 17.676 0.300 . 1 . . . . 66 ILE CG2 . 11350 1 715 . 1 1 66 66 ILE N N 15 119.947 0.300 . 1 . . . . 66 ILE N . 11350 1 716 . 1 1 67 67 SER H H 1 8.308 0.030 . 1 . . . . 67 SER H . 11350 1 717 . 1 1 67 67 SER HA H 1 4.468 0.030 . 1 . . . . 67 SER HA . 11350 1 718 . 1 1 67 67 SER HB2 H 1 3.887 0.030 . 2 . . . . 67 SER HB2 . 11350 1 719 . 1 1 67 67 SER HB3 H 1 3.838 0.030 . 2 . . . . 67 SER HB3 . 11350 1 720 . 1 1 67 67 SER C C 13 174.649 0.300 . 1 . . . . 67 SER C . 11350 1 721 . 1 1 67 67 SER CA C 13 58.613 0.300 . 1 . . . . 67 SER CA . 11350 1 722 . 1 1 67 67 SER CB C 13 64.049 0.300 . 1 . . . . 67 SER CB . 11350 1 723 . 1 1 67 67 SER N N 15 118.899 0.300 . 1 . . . . 67 SER N . 11350 1 724 . 1 1 68 68 GLY H H 1 8.159 0.030 . 1 . . . . 68 GLY H . 11350 1 725 . 1 1 68 68 GLY HA2 H 1 4.182 0.030 . 2 . . . . 68 GLY HA2 . 11350 1 726 . 1 1 68 68 GLY HA3 H 1 4.072 0.030 . 2 . . . . 68 GLY HA3 . 11350 1 727 . 1 1 68 68 GLY C C 13 171.811 0.300 . 1 . . . . 68 GLY C . 11350 1 728 . 1 1 68 68 GLY CA C 13 44.760 0.300 . 1 . . . . 68 GLY CA . 11350 1 729 . 1 1 68 68 GLY N N 15 110.767 0.300 . 1 . . . . 68 GLY N . 11350 1 730 . 1 1 69 69 PRO HA H 1 4.477 0.030 . 1 . . . . 69 PRO HA . 11350 1 731 . 1 1 69 69 PRO HB2 H 1 2.286 0.030 . 2 . . . . 69 PRO HB2 . 11350 1 732 . 1 1 69 69 PRO HB3 H 1 1.968 0.030 . 2 . . . . 69 PRO HB3 . 11350 1 733 . 1 1 69 69 PRO HD2 H 1 3.630 0.030 . 1 . . . . 69 PRO HD2 . 11350 1 734 . 1 1 69 69 PRO HD3 H 1 3.630 0.030 . 1 . . . . 69 PRO HD3 . 11350 1 735 . 1 1 69 69 PRO HG2 H 1 2.011 0.030 . 1 . . . . 69 PRO HG2 . 11350 1 736 . 1 1 69 69 PRO HG3 H 1 2.011 0.030 . 1 . . . . 69 PRO HG3 . 11350 1 737 . 1 1 69 69 PRO C C 13 177.432 0.300 . 1 . . . . 69 PRO C . 11350 1 738 . 1 1 69 69 PRO CA C 13 63.267 0.300 . 1 . . . . 69 PRO CA . 11350 1 739 . 1 1 69 69 PRO CB C 13 32.191 0.300 . 1 . . . . 69 PRO CB . 11350 1 740 . 1 1 69 69 PRO CD C 13 49.844 0.300 . 1 . . . . 69 PRO CD . 11350 1 741 . 1 1 69 69 PRO CG C 13 27.171 0.300 . 1 . . . . 69 PRO CG . 11350 1 742 . 1 1 70 70 SER H H 1 8.513 0.030 . 1 . . . . 70 SER H . 11350 1 743 . 1 1 70 70 SER HA H 1 4.471 0.030 . 1 . . . . 70 SER HA . 11350 1 744 . 1 1 70 70 SER HB2 H 1 3.902 0.030 . 1 . . . . 70 SER HB2 . 11350 1 745 . 1 1 70 70 SER HB3 H 1 3.902 0.030 . 1 . . . . 70 SER HB3 . 11350 1 746 . 1 1 70 70 SER C C 13 174.685 0.300 . 1 . . . . 70 SER C . 11350 1 747 . 1 1 70 70 SER CA C 13 58.422 0.300 . 1 . . . . 70 SER CA . 11350 1 748 . 1 1 70 70 SER CB C 13 63.867 0.300 . 1 . . . . 70 SER CB . 11350 1 749 . 1 1 70 70 SER N N 15 116.458 0.300 . 1 . . . . 70 SER N . 11350 1 750 . 1 1 71 71 SER H H 1 8.341 0.030 . 1 . . . . 71 SER H . 11350 1 751 . 1 1 71 71 SER HA H 1 4.530 0.030 . 1 . . . . 71 SER HA . 11350 1 752 . 1 1 71 71 SER HB2 H 1 3.842 0.030 . 1 . . . . 71 SER HB2 . 11350 1 753 . 1 1 71 71 SER HB3 H 1 3.842 0.030 . 1 . . . . 71 SER HB3 . 11350 1 754 . 1 1 71 71 SER C C 13 173.991 0.300 . 1 . . . . 71 SER C . 11350 1 755 . 1 1 71 71 SER CA C 13 58.373 0.300 . 1 . . . . 71 SER CA . 11350 1 756 . 1 1 71 71 SER CB C 13 63.966 0.300 . 1 . . . . 71 SER CB . 11350 1 757 . 1 1 71 71 SER N N 15 117.971 0.300 . 1 . . . . 71 SER N . 11350 1 stop_ save_