data_11093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11093 _Entry.Title ; Solution structure of the BTK motif of tyrosine-protein kinase ITK from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-19 _Entry.Accession_date 2010-01-19 _Entry.Last_release_date 2011-01-19 _Entry.Original_release_date 2011-01-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 11093 2 N. Tochio . . . 11093 3 S. Koshiba . . . 11093 4 S. Watanabe . . . 11093 5 T. Harada . . . 11093 6 T. Kigawa . . . 11093 7 S. Yokoyama . . . 11093 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)' . 11093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 11093 '15N chemical shifts' 46 11093 '1H chemical shifts' 381 11093 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 . . 2011-01-19 2010-01-19 original author . 11093 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E6I 'BMRB Entry Tracking System' 11093 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11093 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the BTK motif of tyrosine-protein kinase ITK from human' _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 H. Li . . . 11093 1 2 N. Tochio . . . 11093 1 3 S. Koshiba . . . 11093 1 4 S. Watanabe . . . 11093 1 5 T. Harada . . . 11093 1 6 T. Kigawa . . . 11093 1 7 S. Yokoyama . . . 11093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11093 _Assembly.ID 1 _Assembly.Name 'Tyrosine-protein kinase ITK/TSK (E.C.2.7.10.2)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'BTK motif' 1 $entity_1 A . yes native no no . . . 11093 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 11093 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 'BTK motif' 1 HIS 16 16 ND1 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 16 HIS ND1 . . . . ZN 11093 1 2 coordination single . 1 'BTK motif' 1 CYS 27 27 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 27 CYS SG . . . . ZN 11093 1 3 coordination single . 1 'BTK motif' 1 CYS 28 28 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11093 1 4 coordination single . 1 'BTK motif' 1 CYS 38 38 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11093 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 28 28 HG . 28 CYS HG 11093 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11093 1 . . 1 1 HIS 16 16 HD1 . 16 HIS HD1 11093 1 . . 1 1 CYS 27 27 HG . 27 CYS HG 11093 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 2e6i . . . . . . 11093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'BTK motif' _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 ; GSSGSSGNNSLVPKYHPNFW MDGKWRCCSQLEKLATGCAQ YDPTKNASKKPLPPTPEDNR RPLW ; _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 64 _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 2E6I . "Solution Structure Of The Btk Motif Of Tyrosine-protein Kinase Itk From Human" . . . . . 100.00 64 100.00 100.00 6.59e-39 . . . . 11093 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 . 11093 1 2 . SER . 11093 1 3 . SER . 11093 1 4 . GLY . 11093 1 5 . SER . 11093 1 6 . SER . 11093 1 7 . GLY . 11093 1 8 . ASN . 11093 1 9 . ASN . 11093 1 10 . SER . 11093 1 11 . LEU . 11093 1 12 . VAL . 11093 1 13 . PRO . 11093 1 14 . LYS . 11093 1 15 . TYR . 11093 1 16 . HIS . 11093 1 17 . PRO . 11093 1 18 . ASN . 11093 1 19 . PHE . 11093 1 20 . TRP . 11093 1 21 . MET . 11093 1 22 . ASP . 11093 1 23 . GLY . 11093 1 24 . LYS . 11093 1 25 . TRP . 11093 1 26 . ARG . 11093 1 27 . CYS . 11093 1 28 . CYS . 11093 1 29 . SER . 11093 1 30 . GLN . 11093 1 31 . LEU . 11093 1 32 . GLU . 11093 1 33 . LYS . 11093 1 34 . LEU . 11093 1 35 . ALA . 11093 1 36 . THR . 11093 1 37 . GLY . 11093 1 38 . CYS . 11093 1 39 . ALA . 11093 1 40 . GLN . 11093 1 41 . TYR . 11093 1 42 . ASP . 11093 1 43 . PRO . 11093 1 44 . THR . 11093 1 45 . LYS . 11093 1 46 . ASN . 11093 1 47 . ALA . 11093 1 48 . SER . 11093 1 49 . LYS . 11093 1 50 . LYS . 11093 1 51 . PRO . 11093 1 52 . LEU . 11093 1 53 . PRO . 11093 1 54 . PRO . 11093 1 55 . THR . 11093 1 56 . PRO . 11093 1 57 . GLU . 11093 1 58 . ASP . 11093 1 59 . ASN . 11093 1 60 . ARG . 11093 1 61 . ARG . 11093 1 62 . PRO . 11093 1 63 . LEU . 11093 1 64 . TRP . 11093 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 11093 1 . SER 2 2 11093 1 . SER 3 3 11093 1 . GLY 4 4 11093 1 . SER 5 5 11093 1 . SER 6 6 11093 1 . GLY 7 7 11093 1 . ASN 8 8 11093 1 . ASN 9 9 11093 1 . SER 10 10 11093 1 . LEU 11 11 11093 1 . VAL 12 12 11093 1 . PRO 13 13 11093 1 . LYS 14 14 11093 1 . TYR 15 15 11093 1 . HIS 16 16 11093 1 . PRO 17 17 11093 1 . ASN 18 18 11093 1 . PHE 19 19 11093 1 . TRP 20 20 11093 1 . MET 21 21 11093 1 . ASP 22 22 11093 1 . GLY 23 23 11093 1 . LYS 24 24 11093 1 . TRP 25 25 11093 1 . ARG 26 26 11093 1 . CYS 27 27 11093 1 . CYS 28 28 11093 1 . SER 29 29 11093 1 . GLN 30 30 11093 1 . LEU 31 31 11093 1 . GLU 32 32 11093 1 . LYS 33 33 11093 1 . LEU 34 34 11093 1 . ALA 35 35 11093 1 . THR 36 36 11093 1 . GLY 37 37 11093 1 . CYS 38 38 11093 1 . ALA 39 39 11093 1 . GLN 40 40 11093 1 . TYR 41 41 11093 1 . ASP 42 42 11093 1 . PRO 43 43 11093 1 . THR 44 44 11093 1 . LYS 45 45 11093 1 . ASN 46 46 11093 1 . ALA 47 47 11093 1 . SER 48 48 11093 1 . LYS 49 49 11093 1 . LYS 50 50 11093 1 . PRO 51 51 11093 1 . LEU 52 52 11093 1 . PRO 53 53 11093 1 . PRO 54 54 11093 1 . THR 55 55 11093 1 . PRO 56 56 11093 1 . GLU 57 57 11093 1 . ASP 58 58 11093 1 . ASN 59 59 11093 1 . ARG 60 60 11093 1 . ARG 61 61 11093 1 . PRO 62 62 11093 1 . LEU 63 63 11093 1 . TRP 64 64 11093 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11093 _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 . 11093 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 11093 _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 . . . . . . . . . . . . . . . . . . . . . 11093 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 11093 _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 . . . . . . . . . . . . . . . . P060123-02 . . . . . . 11093 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 11093 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code 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 11093 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11093 ZN [Zn++] SMILES CACTVS 3.341 11093 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11093 ZN [Zn+2] SMILES ACDLabs 10.04 11093 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11093 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11093 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 11093 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11093 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 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 11093 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11093 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.12mM BTK motif [U-15N, 13C], 20mM d-Tris-HCl(pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ZnCl2 50 uM (micro-molar) and IDA 1 mM(mili-molar) ; _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 'BTK motif' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.12 . . mM . . . . 11093 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11093 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11093 1 4 DTT [U-2H] . . . . . salt 1 . . mM . . . . 11093 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11093 1 6 ZnCl2 'natural abundance' . . . . . salt 50 . . uM . . . . 11093 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11093 1 8 H2O . . . . . . solvent 90 . . % . . . . 11093 1 9 D2O . . . . . . solvent 10 . . % . . . . 11093 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 11093 _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 11093 1 pH 7.0 0.05 pH 11093 1 pressure 1 0.001 atm 11093 1 temperature 296 0.1 K 11093 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11093 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11093 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11093 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11093 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11093 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11093 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11093 _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.' . . 11093 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11093 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11093 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11093 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11093 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11093 _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.' . . 11093 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11093 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 11093 _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 11093 _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 . . . 11093 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 11093 _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 . . . . . . . . . . . . . . . . 11093 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11093 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 11093 _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 . . . . . . . . . 11093 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11093 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11093 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 11093 _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 11093 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11093 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 . . 11093 1 2 $NMRPipe . . 11093 1 3 $NMRview . . 11093 1 4 $Kujira . . 11093 1 5 $CYANA . . 11093 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 10 10 SER HA H 1 4.403 0.030 . 1 . . . . 10 SER HA . 11093 1 2 . 1 1 10 10 SER HB2 H 1 3.824 0.030 . 1 . . . . 10 SER HB2 . 11093 1 3 . 1 1 10 10 SER HB3 H 1 3.824 0.030 . 1 . . . . 10 SER HB3 . 11093 1 4 . 1 1 10 10 SER C C 13 174.419 0.300 . 1 . . . . 10 SER C . 11093 1 5 . 1 1 10 10 SER CA C 13 58.786 0.300 . 1 . . . . 10 SER CA . 11093 1 6 . 1 1 10 10 SER CB C 13 63.744 0.300 . 1 . . . . 10 SER CB . 11093 1 7 . 1 1 11 11 LEU H H 1 8.207 0.030 . 1 . . . . 11 LEU H . 11093 1 8 . 1 1 11 11 LEU HA H 1 4.357 0.030 . 1 . . . . 11 LEU HA . 11093 1 9 . 1 1 11 11 LEU HB2 H 1 1.641 0.030 . 2 . . . . 11 LEU HB2 . 11093 1 10 . 1 1 11 11 LEU HB3 H 1 1.575 0.030 . 2 . . . . 11 LEU HB3 . 11093 1 11 . 1 1 11 11 LEU HD11 H 1 0.896 0.030 . 1 . . . . 11 LEU HD1 . 11093 1 12 . 1 1 11 11 LEU HD12 H 1 0.896 0.030 . 1 . . . . 11 LEU HD1 . 11093 1 13 . 1 1 11 11 LEU HD13 H 1 0.896 0.030 . 1 . . . . 11 LEU HD1 . 11093 1 14 . 1 1 11 11 LEU HD21 H 1 0.833 0.030 . 1 . . . . 11 LEU HD2 . 11093 1 15 . 1 1 11 11 LEU HD22 H 1 0.833 0.030 . 1 . . . . 11 LEU HD2 . 11093 1 16 . 1 1 11 11 LEU HD23 H 1 0.833 0.030 . 1 . . . . 11 LEU HD2 . 11093 1 17 . 1 1 11 11 LEU HG H 1 1.574 0.030 . 1 . . . . 11 LEU HG . 11093 1 18 . 1 1 11 11 LEU C C 13 177.035 0.300 . 1 . . . . 11 LEU C . 11093 1 19 . 1 1 11 11 LEU CA C 13 55.205 0.300 . 1 . . . . 11 LEU CA . 11093 1 20 . 1 1 11 11 LEU CB C 13 42.188 0.300 . 1 . . . . 11 LEU CB . 11093 1 21 . 1 1 11 11 LEU CD1 C 13 25.014 0.300 . 2 . . . . 11 LEU CD1 . 11093 1 22 . 1 1 11 11 LEU CD2 C 13 23.292 0.300 . 2 . . . . 11 LEU CD2 . 11093 1 23 . 1 1 11 11 LEU CG C 13 26.892 0.300 . 1 . . . . 11 LEU CG . 11093 1 24 . 1 1 11 11 LEU N N 15 123.718 0.300 . 1 . . . . 11 LEU N . 11093 1 25 . 1 1 12 12 VAL H H 1 7.960 0.030 . 1 . . . . 12 VAL H . 11093 1 26 . 1 1 12 12 VAL HA H 1 4.402 0.030 . 1 . . . . 12 VAL HA . 11093 1 27 . 1 1 12 12 VAL HB H 1 2.044 0.030 . 1 . . . . 12 VAL HB . 11093 1 28 . 1 1 12 12 VAL HG11 H 1 0.974 0.030 . 1 . . . . 12 VAL HG1 . 11093 1 29 . 1 1 12 12 VAL HG12 H 1 0.974 0.030 . 1 . . . . 12 VAL HG1 . 11093 1 30 . 1 1 12 12 VAL HG13 H 1 0.974 0.030 . 1 . . . . 12 VAL HG1 . 11093 1 31 . 1 1 12 12 VAL HG21 H 1 0.920 0.030 . 1 . . . . 12 VAL HG2 . 11093 1 32 . 1 1 12 12 VAL HG22 H 1 0.920 0.030 . 1 . . . . 12 VAL HG2 . 11093 1 33 . 1 1 12 12 VAL HG23 H 1 0.920 0.030 . 1 . . . . 12 VAL HG2 . 11093 1 34 . 1 1 12 12 VAL C C 13 174.216 0.300 . 1 . . . . 12 VAL C . 11093 1 35 . 1 1 12 12 VAL CA C 13 59.788 0.300 . 1 . . . . 12 VAL CA . 11093 1 36 . 1 1 12 12 VAL CB C 13 32.690 0.300 . 1 . . . . 12 VAL CB . 11093 1 37 . 1 1 12 12 VAL CG1 C 13 21.249 0.300 . 2 . . . . 12 VAL CG1 . 11093 1 38 . 1 1 12 12 VAL CG2 C 13 20.510 0.300 . 2 . . . . 12 VAL CG2 . 11093 1 39 . 1 1 12 12 VAL N N 15 122.409 0.300 . 1 . . . . 12 VAL N . 11093 1 40 . 1 1 13 13 PRO HA H 1 4.454 0.030 . 1 . . . . 13 PRO HA . 11093 1 41 . 1 1 13 13 PRO HB2 H 1 2.279 0.030 . 2 . . . . 13 PRO HB2 . 11093 1 42 . 1 1 13 13 PRO HB3 H 1 1.962 0.030 . 2 . . . . 13 PRO HB3 . 11093 1 43 . 1 1 13 13 PRO HD2 H 1 3.854 0.030 . 2 . . . . 13 PRO HD2 . 11093 1 44 . 1 1 13 13 PRO HD3 H 1 3.744 0.030 . 2 . . . . 13 PRO HD3 . 11093 1 45 . 1 1 13 13 PRO HG2 H 1 2.073 0.030 . 2 . . . . 13 PRO HG2 . 11093 1 46 . 1 1 13 13 PRO HG3 H 1 1.964 0.030 . 2 . . . . 13 PRO HG3 . 11093 1 47 . 1 1 13 13 PRO C C 13 176.107 0.300 . 1 . . . . 13 PRO C . 11093 1 48 . 1 1 13 13 PRO CA C 13 63.443 0.300 . 1 . . . . 13 PRO CA . 11093 1 49 . 1 1 13 13 PRO CB C 13 32.089 0.300 . 1 . . . . 13 PRO CB . 11093 1 50 . 1 1 13 13 PRO CD C 13 51.075 0.300 . 1 . . . . 13 PRO CD . 11093 1 51 . 1 1 13 13 PRO CG C 13 27.507 0.300 . 1 . . . . 13 PRO CG . 11093 1 52 . 1 1 14 14 LYS H H 1 8.176 0.030 . 1 . . . . 14 LYS H . 11093 1 53 . 1 1 14 14 LYS HA H 1 5.163 0.030 . 1 . . . . 14 LYS HA . 11093 1 54 . 1 1 14 14 LYS HB2 H 1 1.405 0.030 . 1 . . . . 14 LYS HB2 . 11093 1 55 . 1 1 14 14 LYS HB3 H 1 1.405 0.030 . 1 . . . . 14 LYS HB3 . 11093 1 56 . 1 1 14 14 LYS HD2 H 1 1.444 0.030 . 2 . . . . 14 LYS HD2 . 11093 1 57 . 1 1 14 14 LYS HD3 H 1 1.383 0.030 . 2 . . . . 14 LYS HD3 . 11093 1 58 . 1 1 14 14 LYS HE2 H 1 2.782 0.030 . 1 . . . . 14 LYS HE2 . 11093 1 59 . 1 1 14 14 LYS HE3 H 1 2.782 0.030 . 1 . . . . 14 LYS HE3 . 11093 1 60 . 1 1 14 14 LYS HG2 H 1 1.123 0.030 . 2 . . . . 14 LYS HG2 . 11093 1 61 . 1 1 14 14 LYS HG3 H 1 1.444 0.030 . 2 . . . . 14 LYS HG3 . 11093 1 62 . 1 1 14 14 LYS C C 13 176.264 0.300 . 1 . . . . 14 LYS C . 11093 1 63 . 1 1 14 14 LYS CA C 13 54.816 0.300 . 1 . . . . 14 LYS CA . 11093 1 64 . 1 1 14 14 LYS CB C 13 35.625 0.300 . 1 . . . . 14 LYS CB . 11093 1 65 . 1 1 14 14 LYS CD C 13 28.800 0.300 . 1 . . . . 14 LYS CD . 11093 1 66 . 1 1 14 14 LYS CE C 13 42.121 0.300 . 1 . . . . 14 LYS CE . 11093 1 67 . 1 1 14 14 LYS CG C 13 25.480 0.300 . 1 . . . . 14 LYS CG . 11093 1 68 . 1 1 14 14 LYS N N 15 119.687 0.300 . 1 . . . . 14 LYS N . 11093 1 69 . 1 1 15 15 TYR H H 1 9.257 0.030 . 1 . . . . 15 TYR H . 11093 1 70 . 1 1 15 15 TYR HA H 1 4.808 0.030 . 1 . . . . 15 TYR HA . 11093 1 71 . 1 1 15 15 TYR HB2 H 1 2.926 0.030 . 2 . . . . 15 TYR HB2 . 11093 1 72 . 1 1 15 15 TYR HB3 H 1 2.818 0.030 . 2 . . . . 15 TYR HB3 . 11093 1 73 . 1 1 15 15 TYR HD1 H 1 6.716 0.030 . 1 . . . . 15 TYR HD1 . 11093 1 74 . 1 1 15 15 TYR HD2 H 1 6.716 0.030 . 1 . . . . 15 TYR HD2 . 11093 1 75 . 1 1 15 15 TYR HE1 H 1 6.491 0.030 . 1 . . . . 15 TYR HE1 . 11093 1 76 . 1 1 15 15 TYR HE2 H 1 6.491 0.030 . 1 . . . . 15 TYR HE2 . 11093 1 77 . 1 1 15 15 TYR C C 13 172.308 0.300 . 1 . . . . 15 TYR C . 11093 1 78 . 1 1 15 15 TYR CA C 13 55.045 0.300 . 1 . . . . 15 TYR CA . 11093 1 79 . 1 1 15 15 TYR CB C 13 41.051 0.300 . 1 . . . . 15 TYR CB . 11093 1 80 . 1 1 15 15 TYR CD1 C 13 133.453 0.300 . 1 . . . . 15 TYR CD1 . 11093 1 81 . 1 1 15 15 TYR CD2 C 13 133.453 0.300 . 1 . . . . 15 TYR CD2 . 11093 1 82 . 1 1 15 15 TYR CE1 C 13 117.444 0.300 . 1 . . . . 15 TYR CE1 . 11093 1 83 . 1 1 15 15 TYR CE2 C 13 117.444 0.300 . 1 . . . . 15 TYR CE2 . 11093 1 84 . 1 1 15 15 TYR N N 15 119.897 0.300 . 1 . . . . 15 TYR N . 11093 1 85 . 1 1 16 16 HIS H H 1 8.555 0.030 . 1 . . . . 16 HIS H . 11093 1 86 . 1 1 16 16 HIS HA H 1 5.214 0.030 . 1 . . . . 16 HIS HA . 11093 1 87 . 1 1 16 16 HIS HB2 H 1 2.465 0.030 . 2 . . . . 16 HIS HB2 . 11093 1 88 . 1 1 16 16 HIS HB3 H 1 3.399 0.030 . 2 . . . . 16 HIS HB3 . 11093 1 89 . 1 1 16 16 HIS HD2 H 1 6.051 0.030 . 1 . . . . 16 HIS HD2 . 11093 1 90 . 1 1 16 16 HIS HE1 H 1 6.716 0.030 . 1 . . . . 16 HIS HE1 . 11093 1 91 . 1 1 16 16 HIS C C 13 175.160 0.300 . 1 . . . . 16 HIS C . 11093 1 92 . 1 1 16 16 HIS CA C 13 52.752 0.300 . 1 . . . . 16 HIS CA . 11093 1 93 . 1 1 16 16 HIS CB C 13 32.822 0.300 . 1 . . . . 16 HIS CB . 11093 1 94 . 1 1 16 16 HIS CD2 C 13 118.947 0.300 . 1 . . . . 16 HIS CD2 . 11093 1 95 . 1 1 16 16 HIS CE1 C 13 138.378 0.300 . 1 . . . . 16 HIS CE1 . 11093 1 96 . 1 1 16 16 HIS N N 15 120.132 0.300 . 1 . . . . 16 HIS N . 11093 1 97 . 1 1 17 17 PRO HA H 1 4.435 0.030 . 1 . . . . 17 PRO HA . 11093 1 98 . 1 1 17 17 PRO HB2 H 1 2.199 0.030 . 2 . . . . 17 PRO HB2 . 11093 1 99 . 1 1 17 17 PRO HB3 H 1 1.950 0.030 . 2 . . . . 17 PRO HB3 . 11093 1 100 . 1 1 17 17 PRO HD2 H 1 3.581 0.030 . 2 . . . . 17 PRO HD2 . 11093 1 101 . 1 1 17 17 PRO HD3 H 1 3.764 0.030 . 2 . . . . 17 PRO HD3 . 11093 1 102 . 1 1 17 17 PRO HG2 H 1 1.728 0.030 . 2 . . . . 17 PRO HG2 . 11093 1 103 . 1 1 17 17 PRO HG3 H 1 1.501 0.030 . 2 . . . . 17 PRO HG3 . 11093 1 104 . 1 1 17 17 PRO C C 13 175.405 0.300 . 1 . . . . 17 PRO C . 11093 1 105 . 1 1 17 17 PRO CA C 13 62.993 0.300 . 1 . . . . 17 PRO CA . 11093 1 106 . 1 1 17 17 PRO CB C 13 32.260 0.300 . 1 . . . . 17 PRO CB . 11093 1 107 . 1 1 17 17 PRO CD C 13 53.105 0.300 . 1 . . . . 17 PRO CD . 11093 1 108 . 1 1 17 17 PRO CG C 13 26.827 0.300 . 1 . . . . 17 PRO CG . 11093 1 109 . 1 1 18 18 ASN H H 1 7.652 0.030 . 1 . . . . 18 ASN H . 11093 1 110 . 1 1 18 18 ASN HA H 1 4.719 0.030 . 1 . . . . 18 ASN HA . 11093 1 111 . 1 1 18 18 ASN HB2 H 1 2.967 0.030 . 2 . . . . 18 ASN HB2 . 11093 1 112 . 1 1 18 18 ASN HB3 H 1 2.638 0.030 . 2 . . . . 18 ASN HB3 . 11093 1 113 . 1 1 18 18 ASN HD21 H 1 7.759 0.030 . 2 . . . . 18 ASN HD21 . 11093 1 114 . 1 1 18 18 ASN HD22 H 1 7.112 0.030 . 2 . . . . 18 ASN HD22 . 11093 1 115 . 1 1 18 18 ASN C C 13 172.659 0.300 . 1 . . . . 18 ASN C . 11093 1 116 . 1 1 18 18 ASN CA C 13 50.688 0.300 . 1 . . . . 18 ASN CA . 11093 1 117 . 1 1 18 18 ASN CB C 13 42.179 0.300 . 1 . . . . 18 ASN CB . 11093 1 118 . 1 1 18 18 ASN N N 15 118.421 0.300 . 1 . . . . 18 ASN N . 11093 1 119 . 1 1 18 18 ASN ND2 N 15 113.313 0.300 . 1 . . . . 18 ASN ND2 . 11093 1 120 . 1 1 19 19 PHE H H 1 8.918 0.030 . 1 . . . . 19 PHE H . 11093 1 121 . 1 1 19 19 PHE HA H 1 5.182 0.030 . 1 . . . . 19 PHE HA . 11093 1 122 . 1 1 19 19 PHE HB2 H 1 3.267 0.030 . 2 . . . . 19 PHE HB2 . 11093 1 123 . 1 1 19 19 PHE HB3 H 1 2.825 0.030 . 2 . . . . 19 PHE HB3 . 11093 1 124 . 1 1 19 19 PHE HD1 H 1 7.374 0.030 . 1 . . . . 19 PHE HD1 . 11093 1 125 . 1 1 19 19 PHE HD2 H 1 7.374 0.030 . 1 . . . . 19 PHE HD2 . 11093 1 126 . 1 1 19 19 PHE HE1 H 1 7.435 0.030 . 1 . . . . 19 PHE HE1 . 11093 1 127 . 1 1 19 19 PHE HE2 H 1 7.435 0.030 . 1 . . . . 19 PHE HE2 . 11093 1 128 . 1 1 19 19 PHE HZ H 1 7.365 0.030 . 1 . . . . 19 PHE HZ . 11093 1 129 . 1 1 19 19 PHE C C 13 174.489 0.300 . 1 . . . . 19 PHE C . 11093 1 130 . 1 1 19 19 PHE CA C 13 56.986 0.300 . 1 . . . . 19 PHE CA . 11093 1 131 . 1 1 19 19 PHE CB C 13 41.910 0.300 . 1 . . . . 19 PHE CB . 11093 1 132 . 1 1 19 19 PHE CD1 C 13 131.956 0.300 . 1 . . . . 19 PHE CD1 . 11093 1 133 . 1 1 19 19 PHE CD2 C 13 131.956 0.300 . 1 . . . . 19 PHE CD2 . 11093 1 134 . 1 1 19 19 PHE CE1 C 13 131.569 0.300 . 1 . . . . 19 PHE CE1 . 11093 1 135 . 1 1 19 19 PHE CE2 C 13 131.569 0.300 . 1 . . . . 19 PHE CE2 . 11093 1 136 . 1 1 19 19 PHE CZ C 13 129.970 0.300 . 1 . . . . 19 PHE CZ . 11093 1 137 . 1 1 19 19 PHE N N 15 116.892 0.300 . 1 . . . . 19 PHE N . 11093 1 138 . 1 1 20 20 TRP H H 1 8.291 0.030 . 1 . . . . 20 TRP H . 11093 1 139 . 1 1 20 20 TRP HA H 1 3.997 0.030 . 1 . . . . 20 TRP HA . 11093 1 140 . 1 1 20 20 TRP HB2 H 1 2.474 0.030 . 2 . . . . 20 TRP HB2 . 11093 1 141 . 1 1 20 20 TRP HB3 H 1 0.314 0.030 . 2 . . . . 20 TRP HB3 . 11093 1 142 . 1 1 20 20 TRP CA C 13 57.208 0.300 . 1 . . . . 20 TRP CA . 11093 1 143 . 1 1 20 20 TRP CB C 13 27.879 0.300 . 1 . . . . 20 TRP CB . 11093 1 144 . 1 1 20 20 TRP N N 15 125.105 0.300 . 1 . . . . 20 TRP N . 11093 1 145 . 1 1 21 21 MET H H 1 8.035 0.030 . 1 . . . . 21 MET H . 11093 1 146 . 1 1 21 21 MET HA H 1 4.354 0.030 . 1 . . . . 21 MET HA . 11093 1 147 . 1 1 21 21 MET HB2 H 1 1.753 0.030 . 2 . . . . 21 MET HB2 . 11093 1 148 . 1 1 21 21 MET HB3 H 1 1.826 0.030 . 2 . . . . 21 MET HB3 . 11093 1 149 . 1 1 21 21 MET HE1 H 1 2.025 0.030 . 1 . . . . 21 MET HE . 11093 1 150 . 1 1 21 21 MET HE2 H 1 2.025 0.030 . 1 . . . . 21 MET HE . 11093 1 151 . 1 1 21 21 MET HE3 H 1 2.025 0.030 . 1 . . . . 21 MET HE . 11093 1 152 . 1 1 21 21 MET HG2 H 1 2.353 0.030 . 1 . . . . 21 MET HG2 . 11093 1 153 . 1 1 21 21 MET HG3 H 1 2.353 0.030 . 1 . . . . 21 MET HG3 . 11093 1 154 . 1 1 21 21 MET CA C 13 54.946 0.300 . 1 . . . . 21 MET CA . 11093 1 155 . 1 1 21 21 MET CB C 13 36.118 0.300 . 1 . . . . 21 MET CB . 11093 1 156 . 1 1 21 21 MET CE C 13 16.990 0.300 . 1 . . . . 21 MET CE . 11093 1 157 . 1 1 21 21 MET CG C 13 31.539 0.300 . 1 . . . . 21 MET CG . 11093 1 158 . 1 1 21 21 MET N N 15 126.691 0.300 . 1 . . . . 21 MET N . 11093 1 159 . 1 1 22 22 ASP H H 1 9.036 0.030 . 1 . . . . 22 ASP H . 11093 1 160 . 1 1 22 22 ASP HA H 1 4.013 0.030 . 1 . . . . 22 ASP HA . 11093 1 161 . 1 1 22 22 ASP HB2 H 1 2.371 0.030 . 2 . . . . 22 ASP HB2 . 11093 1 162 . 1 1 22 22 ASP HB3 H 1 2.715 0.030 . 2 . . . . 22 ASP HB3 . 11093 1 163 . 1 1 22 22 ASP CA C 13 54.953 0.300 . 1 . . . . 22 ASP CA . 11093 1 164 . 1 1 22 22 ASP CB C 13 39.470 0.300 . 1 . . . . 22 ASP CB . 11093 1 165 . 1 1 23 23 GLY H H 1 7.306 0.030 . 1 . . . . 23 GLY H . 11093 1 166 . 1 1 23 23 GLY HA2 H 1 3.216 0.030 . 2 . . . . 23 GLY HA2 . 11093 1 167 . 1 1 23 23 GLY HA3 H 1 3.905 0.030 . 2 . . . . 23 GLY HA3 . 11093 1 168 . 1 1 23 23 GLY CA C 13 45.573 0.300 . 1 . . . . 23 GLY CA . 11093 1 169 . 1 1 24 24 LYS H H 1 6.144 0.030 . 1 . . . . 24 LYS H . 11093 1 170 . 1 1 24 24 LYS HA H 1 4.518 0.030 . 1 . . . . 24 LYS HA . 11093 1 171 . 1 1 24 24 LYS HB2 H 1 1.184 0.030 . 2 . . . . 24 LYS HB2 . 11093 1 172 . 1 1 24 24 LYS HB3 H 1 1.611 0.030 . 2 . . . . 24 LYS HB3 . 11093 1 173 . 1 1 24 24 LYS HD2 H 1 1.424 0.030 . 1 . . . . 24 LYS HD2 . 11093 1 174 . 1 1 24 24 LYS HD3 H 1 1.424 0.030 . 1 . . . . 24 LYS HD3 . 11093 1 175 . 1 1 24 24 LYS HE2 H 1 2.829 0.030 . 1 . . . . 24 LYS HE2 . 11093 1 176 . 1 1 24 24 LYS HE3 H 1 2.829 0.030 . 1 . . . . 24 LYS HE3 . 11093 1 177 . 1 1 24 24 LYS HG2 H 1 0.974 0.030 . 2 . . . . 24 LYS HG2 . 11093 1 178 . 1 1 24 24 LYS HG3 H 1 0.824 0.030 . 2 . . . . 24 LYS HG3 . 11093 1 179 . 1 1 24 24 LYS CA C 13 54.782 0.300 . 1 . . . . 24 LYS CA . 11093 1 180 . 1 1 24 24 LYS CB C 13 35.460 0.300 . 1 . . . . 24 LYS CB . 11093 1 181 . 1 1 24 24 LYS CD C 13 29.503 0.300 . 1 . . . . 24 LYS CD . 11093 1 182 . 1 1 24 24 LYS CE C 13 41.997 0.300 . 1 . . . . 24 LYS CE . 11093 1 183 . 1 1 24 24 LYS CG C 13 22.824 0.300 . 1 . . . . 24 LYS CG . 11093 1 184 . 1 1 24 24 LYS N N 15 112.782 0.300 . 1 . . . . 24 LYS N . 11093 1 185 . 1 1 25 25 TRP H H 1 8.564 0.030 . 1 . . . . 25 TRP H . 11093 1 186 . 1 1 25 25 TRP HA H 1 4.385 0.030 . 1 . . . . 25 TRP HA . 11093 1 187 . 1 1 25 25 TRP HB2 H 1 3.876 0.030 . 2 . . . . 25 TRP HB2 . 11093 1 188 . 1 1 25 25 TRP HB3 H 1 3.292 0.030 . 2 . . . . 25 TRP HB3 . 11093 1 189 . 1 1 25 25 TRP HD1 H 1 6.985 0.030 . 1 . . . . 25 TRP HD1 . 11093 1 190 . 1 1 25 25 TRP HE1 H 1 9.533 0.030 . 1 . . . . 25 TRP HE1 . 11093 1 191 . 1 1 25 25 TRP HE3 H 1 7.211 0.030 . 1 . . . . 25 TRP HE3 . 11093 1 192 . 1 1 25 25 TRP HH2 H 1 7.291 0.030 . 1 . . . . 25 TRP HH2 . 11093 1 193 . 1 1 25 25 TRP HZ2 H 1 7.751 0.030 . 1 . . . . 25 TRP HZ2 . 11093 1 194 . 1 1 25 25 TRP HZ3 H 1 7.453 0.030 . 1 . . . . 25 TRP HZ3 . 11093 1 195 . 1 1 25 25 TRP C C 13 179.461 0.300 . 1 . . . . 25 TRP C . 11093 1 196 . 1 1 25 25 TRP CA C 13 58.009 0.300 . 1 . . . . 25 TRP CA . 11093 1 197 . 1 1 25 25 TRP CB C 13 31.907 0.300 . 1 . . . . 25 TRP CB . 11093 1 198 . 1 1 25 25 TRP CD1 C 13 125.744 0.300 . 1 . . . . 25 TRP CD1 . 11093 1 199 . 1 1 25 25 TRP CE3 C 13 121.109 0.300 . 1 . . . . 25 TRP CE3 . 11093 1 200 . 1 1 25 25 TRP CH2 C 13 124.602 0.300 . 1 . . . . 25 TRP CH2 . 11093 1 201 . 1 1 25 25 TRP CZ2 C 13 114.488 0.300 . 1 . . . . 25 TRP CZ2 . 11093 1 202 . 1 1 25 25 TRP CZ3 C 13 123.445 0.300 . 1 . . . . 25 TRP CZ3 . 11093 1 203 . 1 1 26 26 ARG H H 1 9.084 0.030 . 1 . . . . 26 ARG H . 11093 1 204 . 1 1 26 26 ARG HA H 1 4.096 0.030 . 1 . . . . 26 ARG HA . 11093 1 205 . 1 1 26 26 ARG HB2 H 1 1.928 0.030 . 1 . . . . 26 ARG HB2 . 11093 1 206 . 1 1 26 26 ARG HB3 H 1 1.928 0.030 . 1 . . . . 26 ARG HB3 . 11093 1 207 . 1 1 26 26 ARG HD2 H 1 3.034 0.030 . 2 . . . . 26 ARG HD2 . 11093 1 208 . 1 1 26 26 ARG HD3 H 1 3.169 0.030 . 2 . . . . 26 ARG HD3 . 11093 1 209 . 1 1 26 26 ARG HG2 H 1 1.733 0.030 . 2 . . . . 26 ARG HG2 . 11093 1 210 . 1 1 26 26 ARG HG3 H 1 1.852 0.030 . 2 . . . . 26 ARG HG3 . 11093 1 211 . 1 1 26 26 ARG C C 13 176.382 0.300 . 1 . . . . 26 ARG C . 11093 1 212 . 1 1 26 26 ARG CA C 13 58.363 0.300 . 1 . . . . 26 ARG CA . 11093 1 213 . 1 1 26 26 ARG CB C 13 30.203 0.300 . 1 . . . . 26 ARG CB . 11093 1 214 . 1 1 26 26 ARG CD C 13 43.271 0.300 . 1 . . . . 26 ARG CD . 11093 1 215 . 1 1 26 26 ARG CG C 13 27.485 0.300 . 1 . . . . 26 ARG CG . 11093 1 216 . 1 1 26 26 ARG N N 15 124.124 0.300 . 1 . . . . 26 ARG N . 11093 1 217 . 1 1 27 27 CYS H H 1 9.033 0.030 . 1 . . . . 27 CYS H . 11093 1 218 . 1 1 27 27 CYS HA H 1 4.403 0.030 . 1 . . . . 27 CYS HA . 11093 1 219 . 1 1 27 27 CYS HB2 H 1 3.046 0.030 . 1 . . . . 27 CYS HB2 . 11093 1 220 . 1 1 27 27 CYS HB3 H 1 3.046 0.030 . 1 . . . . 27 CYS HB3 . 11093 1 221 . 1 1 27 27 CYS C C 13 177.071 0.300 . 1 . . . . 27 CYS C . 11093 1 222 . 1 1 27 27 CYS CA C 13 54.181 0.300 . 1 . . . . 27 CYS CA . 11093 1 223 . 1 1 27 27 CYS CB C 13 30.445 0.300 . 1 . . . . 27 CYS CB . 11093 1 224 . 1 1 27 27 CYS N N 15 118.093 0.300 . 1 . . . . 27 CYS N . 11093 1 225 . 1 1 28 28 CYS H H 1 7.576 0.030 . 1 . . . . 28 CYS H . 11093 1 226 . 1 1 28 28 CYS HA H 1 4.956 0.030 . 1 . . . . 28 CYS HA . 11093 1 227 . 1 1 28 28 CYS HB2 H 1 3.332 0.030 . 2 . . . . 28 CYS HB2 . 11093 1 228 . 1 1 28 28 CYS HB3 H 1 2.803 0.030 . 2 . . . . 28 CYS HB3 . 11093 1 229 . 1 1 28 28 CYS C C 13 176.340 0.300 . 1 . . . . 28 CYS C . 11093 1 230 . 1 1 28 28 CYS CA C 13 56.580 0.300 . 1 . . . . 28 CYS CA . 11093 1 231 . 1 1 28 28 CYS CB C 13 32.747 0.300 . 1 . . . . 28 CYS CB . 11093 1 232 . 1 1 28 28 CYS N N 15 113.863 0.300 . 1 . . . . 28 CYS N . 11093 1 233 . 1 1 29 29 SER H H 1 8.310 0.030 . 1 . . . . 29 SER H . 11093 1 234 . 1 1 29 29 SER HA H 1 4.163 0.030 . 1 . . . . 29 SER HA . 11093 1 235 . 1 1 29 29 SER HB2 H 1 4.233 0.030 . 2 . . . . 29 SER HB2 . 11093 1 236 . 1 1 29 29 SER HB3 H 1 4.094 0.030 . 2 . . . . 29 SER HB3 . 11093 1 237 . 1 1 29 29 SER C C 13 176.372 0.300 . 1 . . . . 29 SER C . 11093 1 238 . 1 1 29 29 SER CA C 13 60.877 0.300 . 1 . . . . 29 SER CA . 11093 1 239 . 1 1 29 29 SER CB C 13 61.083 0.300 . 1 . . . . 29 SER CB . 11093 1 240 . 1 1 29 29 SER N N 15 114.767 0.300 . 1 . . . . 29 SER N . 11093 1 241 . 1 1 30 30 GLN H H 1 7.434 0.030 . 1 . . . . 30 GLN H . 11093 1 242 . 1 1 30 30 GLN HA H 1 4.522 0.030 . 1 . . . . 30 GLN HA . 11093 1 243 . 1 1 30 30 GLN HB2 H 1 2.364 0.030 . 2 . . . . 30 GLN HB2 . 11093 1 244 . 1 1 30 30 GLN HB3 H 1 2.154 0.030 . 2 . . . . 30 GLN HB3 . 11093 1 245 . 1 1 30 30 GLN HE21 H 1 7.125 0.030 . 2 . . . . 30 GLN HE21 . 11093 1 246 . 1 1 30 30 GLN HE22 H 1 8.501 0.030 . 2 . . . . 30 GLN HE22 . 11093 1 247 . 1 1 30 30 GLN HG2 H 1 2.284 0.030 . 2 . . . . 30 GLN HG2 . 11093 1 248 . 1 1 30 30 GLN HG3 H 1 2.847 0.030 . 2 . . . . 30 GLN HG3 . 11093 1 249 . 1 1 30 30 GLN CA C 13 57.824 0.300 . 1 . . . . 30 GLN CA . 11093 1 250 . 1 1 30 30 GLN CB C 13 31.245 0.300 . 1 . . . . 30 GLN CB . 11093 1 251 . 1 1 30 30 GLN CG C 13 36.855 0.300 . 1 . . . . 30 GLN CG . 11093 1 252 . 1 1 30 30 GLN N N 15 117.650 0.300 . 1 . . . . 30 GLN N . 11093 1 253 . 1 1 30 30 GLN NE2 N 15 114.607 0.300 . 1 . . . . 30 GLN NE2 . 11093 1 254 . 1 1 31 31 LEU H H 1 8.711 0.030 . 1 . . . . 31 LEU H . 11093 1 255 . 1 1 31 31 LEU HA H 1 4.673 0.030 . 1 . . . . 31 LEU HA . 11093 1 256 . 1 1 31 31 LEU HB2 H 1 1.842 0.030 . 1 . . . . 31 LEU HB2 . 11093 1 257 . 1 1 31 31 LEU HB3 H 1 1.842 0.030 . 1 . . . . 31 LEU HB3 . 11093 1 258 . 1 1 31 31 LEU HD11 H 1 1.035 0.030 . 1 . . . . 31 LEU HD1 . 11093 1 259 . 1 1 31 31 LEU HD12 H 1 1.035 0.030 . 1 . . . . 31 LEU HD1 . 11093 1 260 . 1 1 31 31 LEU HD13 H 1 1.035 0.030 . 1 . . . . 31 LEU HD1 . 11093 1 261 . 1 1 31 31 LEU HD21 H 1 0.943 0.030 . 1 . . . . 31 LEU HD2 . 11093 1 262 . 1 1 31 31 LEU HD22 H 1 0.943 0.030 . 1 . . . . 31 LEU HD2 . 11093 1 263 . 1 1 31 31 LEU HD23 H 1 0.943 0.030 . 1 . . . . 31 LEU HD2 . 11093 1 264 . 1 1 31 31 LEU HG H 1 1.924 0.030 . 1 . . . . 31 LEU HG . 11093 1 265 . 1 1 31 31 LEU CA C 13 57.335 0.300 . 1 . . . . 31 LEU CA . 11093 1 266 . 1 1 31 31 LEU CB C 13 42.971 0.300 . 1 . . . . 31 LEU CB . 11093 1 267 . 1 1 31 31 LEU CD1 C 13 25.389 0.300 . 2 . . . . 31 LEU CD1 . 11093 1 268 . 1 1 31 31 LEU CD2 C 13 23.227 0.300 . 2 . . . . 31 LEU CD2 . 11093 1 269 . 1 1 31 31 LEU CG C 13 27.617 0.300 . 1 . . . . 31 LEU CG . 11093 1 270 . 1 1 31 31 LEU N N 15 121.520 0.300 . 1 . . . . 31 LEU N . 11093 1 271 . 1 1 32 32 GLU HA H 1 4.214 0.030 . 1 . . . . 32 GLU HA . 11093 1 272 . 1 1 32 32 GLU HB2 H 1 2.076 0.030 . 2 . . . . 32 GLU HB2 . 11093 1 273 . 1 1 32 32 GLU HB3 H 1 2.016 0.030 . 2 . . . . 32 GLU HB3 . 11093 1 274 . 1 1 32 32 GLU HG2 H 1 2.383 0.030 . 1 . . . . 32 GLU HG2 . 11093 1 275 . 1 1 32 32 GLU HG3 H 1 2.383 0.030 . 1 . . . . 32 GLU HG3 . 11093 1 276 . 1 1 32 32 GLU CA C 13 57.771 0.300 . 1 . . . . 32 GLU CA . 11093 1 277 . 1 1 32 32 GLU CB C 13 29.416 0.300 . 1 . . . . 32 GLU CB . 11093 1 278 . 1 1 32 32 GLU CG C 13 36.336 0.300 . 1 . . . . 32 GLU CG . 11093 1 279 . 1 1 33 33 LYS HB2 H 1 1.254 0.030 . 2 . . . . 33 LYS HB2 . 11093 1 280 . 1 1 33 33 LYS HB3 H 1 1.027 0.030 . 2 . . . . 33 LYS HB3 . 11093 1 281 . 1 1 33 33 LYS HD2 H 1 0.789 0.030 . 2 . . . . 33 LYS HD2 . 11093 1 282 . 1 1 33 33 LYS HD3 H 1 0.914 0.030 . 2 . . . . 33 LYS HD3 . 11093 1 283 . 1 1 33 33 LYS HE2 H 1 3.146 0.030 . 2 . . . . 33 LYS HE2 . 11093 1 284 . 1 1 33 33 LYS HG2 H 1 0.387 0.030 . 2 . . . . 33 LYS HG2 . 11093 1 285 . 1 1 33 33 LYS C C 13 177.943 0.300 . 1 . . . . 33 LYS C . 11093 1 286 . 1 1 33 33 LYS CA C 13 59.950 0.300 . 1 . . . . 33 LYS CA . 11093 1 287 . 1 1 33 33 LYS CB C 13 31.923 0.300 . 1 . . . . 33 LYS CB . 11093 1 288 . 1 1 33 33 LYS CD C 13 28.621 0.300 . 1 . . . . 33 LYS CD . 11093 1 289 . 1 1 33 33 LYS CE C 13 41.380 0.300 . 1 . . . . 33 LYS CE . 11093 1 290 . 1 1 33 33 LYS CG C 13 25.012 0.300 . 1 . . . . 33 LYS CG . 11093 1 291 . 1 1 34 34 LEU H H 1 8.075 0.030 . 1 . . . . 34 LEU H . 11093 1 292 . 1 1 34 34 LEU HA H 1 4.539 0.030 . 1 . . . . 34 LEU HA . 11093 1 293 . 1 1 34 34 LEU HB2 H 1 1.764 0.030 . 2 . . . . 34 LEU HB2 . 11093 1 294 . 1 1 34 34 LEU HB3 H 1 1.614 0.030 . 2 . . . . 34 LEU HB3 . 11093 1 295 . 1 1 34 34 LEU HD11 H 1 0.874 0.030 . 1 . . . . 34 LEU HD1 . 11093 1 296 . 1 1 34 34 LEU HD12 H 1 0.874 0.030 . 1 . . . . 34 LEU HD1 . 11093 1 297 . 1 1 34 34 LEU HD13 H 1 0.874 0.030 . 1 . . . . 34 LEU HD1 . 11093 1 298 . 1 1 34 34 LEU HD21 H 1 0.819 0.030 . 1 . . . . 34 LEU HD2 . 11093 1 299 . 1 1 34 34 LEU HD22 H 1 0.819 0.030 . 1 . . . . 34 LEU HD2 . 11093 1 300 . 1 1 34 34 LEU HD23 H 1 0.819 0.030 . 1 . . . . 34 LEU HD2 . 11093 1 301 . 1 1 34 34 LEU HG H 1 1.528 0.030 . 1 . . . . 34 LEU HG . 11093 1 302 . 1 1 34 34 LEU C C 13 176.484 0.300 . 1 . . . . 34 LEU C . 11093 1 303 . 1 1 34 34 LEU CA C 13 53.828 0.300 . 1 . . . . 34 LEU CA . 11093 1 304 . 1 1 34 34 LEU CB C 13 40.106 0.300 . 1 . . . . 34 LEU CB . 11093 1 305 . 1 1 34 34 LEU CD1 C 13 25.101 0.300 . 2 . . . . 34 LEU CD1 . 11093 1 306 . 1 1 34 34 LEU CD2 C 13 22.474 0.300 . 2 . . . . 34 LEU CD2 . 11093 1 307 . 1 1 34 34 LEU CG C 13 26.909 0.300 . 1 . . . . 34 LEU CG . 11093 1 308 . 1 1 34 34 LEU N N 15 114.780 0.300 . 1 . . . . 34 LEU N . 11093 1 309 . 1 1 35 35 ALA H H 1 7.576 0.030 . 1 . . . . 35 ALA H . 11093 1 310 . 1 1 35 35 ALA HA H 1 4.205 0.030 . 1 . . . . 35 ALA HA . 11093 1 311 . 1 1 35 35 ALA HB1 H 1 1.503 0.030 . 1 . . . . 35 ALA HB . 11093 1 312 . 1 1 35 35 ALA HB2 H 1 1.503 0.030 . 1 . . . . 35 ALA HB . 11093 1 313 . 1 1 35 35 ALA HB3 H 1 1.503 0.030 . 1 . . . . 35 ALA HB . 11093 1 314 . 1 1 35 35 ALA C C 13 179.125 0.300 . 1 . . . . 35 ALA C . 11093 1 315 . 1 1 35 35 ALA CA C 13 53.000 0.300 . 1 . . . . 35 ALA CA . 11093 1 316 . 1 1 35 35 ALA CB C 13 19.082 0.300 . 1 . . . . 35 ALA CB . 11093 1 317 . 1 1 35 35 ALA N N 15 122.411 0.300 . 1 . . . . 35 ALA N . 11093 1 318 . 1 1 36 36 THR H H 1 8.679 0.030 . 1 . . . . 36 THR H . 11093 1 319 . 1 1 36 36 THR HA H 1 3.729 0.030 . 1 . . . . 36 THR HA . 11093 1 320 . 1 1 36 36 THR HB H 1 3.931 0.030 . 1 . . . . 36 THR HB . 11093 1 321 . 1 1 36 36 THR HG21 H 1 1.306 0.030 . 1 . . . . 36 THR HG2 . 11093 1 322 . 1 1 36 36 THR HG22 H 1 1.306 0.030 . 1 . . . . 36 THR HG2 . 11093 1 323 . 1 1 36 36 THR HG23 H 1 1.306 0.030 . 1 . . . . 36 THR HG2 . 11093 1 324 . 1 1 36 36 THR C C 13 173.092 0.300 . 1 . . . . 36 THR C . 11093 1 325 . 1 1 36 36 THR CA C 13 63.637 0.300 . 1 . . . . 36 THR CA . 11093 1 326 . 1 1 36 36 THR CB C 13 69.211 0.300 . 1 . . . . 36 THR CB . 11093 1 327 . 1 1 36 36 THR CG2 C 13 22.134 0.300 . 1 . . . . 36 THR CG2 . 11093 1 328 . 1 1 36 36 THR N N 15 122.385 0.300 . 1 . . . . 36 THR N . 11093 1 329 . 1 1 37 37 GLY H H 1 8.255 0.030 . 1 . . . . 37 GLY H . 11093 1 330 . 1 1 37 37 GLY HA2 H 1 2.438 0.030 . 2 . . . . 37 GLY HA2 . 11093 1 331 . 1 1 37 37 GLY HA3 H 1 1.009 0.030 . 2 . . . . 37 GLY HA3 . 11093 1 332 . 1 1 37 37 GLY C C 13 170.307 0.300 . 1 . . . . 37 GLY C . 11093 1 333 . 1 1 37 37 GLY CA C 13 45.220 0.300 . 1 . . . . 37 GLY CA . 11093 1 334 . 1 1 37 37 GLY N N 15 108.907 0.300 . 1 . . . . 37 GLY N . 11093 1 335 . 1 1 38 38 CYS H H 1 6.484 0.030 . 1 . . . . 38 CYS H . 11093 1 336 . 1 1 38 38 CYS HA H 1 4.299 0.030 . 1 . . . . 38 CYS HA . 11093 1 337 . 1 1 38 38 CYS HB2 H 1 3.029 0.030 . 2 . . . . 38 CYS HB2 . 11093 1 338 . 1 1 38 38 CYS HB3 H 1 2.457 0.030 . 2 . . . . 38 CYS HB3 . 11093 1 339 . 1 1 38 38 CYS C C 13 174.809 0.300 . 1 . . . . 38 CYS C . 11093 1 340 . 1 1 38 38 CYS CA C 13 55.910 0.300 . 1 . . . . 38 CYS CA . 11093 1 341 . 1 1 38 38 CYS CB C 13 32.336 0.300 . 1 . . . . 38 CYS CB . 11093 1 342 . 1 1 38 38 CYS N N 15 119.258 0.300 . 1 . . . . 38 CYS N . 11093 1 343 . 1 1 39 39 ALA H H 1 8.424 0.030 . 1 . . . . 39 ALA H . 11093 1 344 . 1 1 39 39 ALA HA H 1 4.689 0.030 . 1 . . . . 39 ALA HA . 11093 1 345 . 1 1 39 39 ALA HB1 H 1 0.920 0.030 . 1 . . . . 39 ALA HB . 11093 1 346 . 1 1 39 39 ALA HB2 H 1 0.920 0.030 . 1 . . . . 39 ALA HB . 11093 1 347 . 1 1 39 39 ALA HB3 H 1 0.920 0.030 . 1 . . . . 39 ALA HB . 11093 1 348 . 1 1 39 39 ALA C C 13 175.443 0.300 . 1 . . . . 39 ALA C . 11093 1 349 . 1 1 39 39 ALA CA C 13 50.548 0.300 . 1 . . . . 39 ALA CA . 11093 1 350 . 1 1 39 39 ALA CB C 13 21.812 0.300 . 1 . . . . 39 ALA CB . 11093 1 351 . 1 1 39 39 ALA N N 15 128.243 0.300 . 1 . . . . 39 ALA N . 11093 1 352 . 1 1 40 40 GLN H H 1 8.485 0.030 . 1 . . . . 40 GLN H . 11093 1 353 . 1 1 40 40 GLN HA H 1 4.600 0.030 . 1 . . . . 40 GLN HA . 11093 1 354 . 1 1 40 40 GLN HB2 H 1 1.982 0.030 . 2 . . . . 40 GLN HB2 . 11093 1 355 . 1 1 40 40 GLN HB3 H 1 1.924 0.030 . 2 . . . . 40 GLN HB3 . 11093 1 356 . 1 1 40 40 GLN HE21 H 1 7.587 0.030 . 2 . . . . 40 GLN HE21 . 11093 1 357 . 1 1 40 40 GLN HE22 H 1 6.873 0.030 . 2 . . . . 40 GLN HE22 . 11093 1 358 . 1 1 40 40 GLN HG2 H 1 2.302 0.030 . 2 . . . . 40 GLN HG2 . 11093 1 359 . 1 1 40 40 GLN HG3 H 1 2.241 0.030 . 2 . . . . 40 GLN HG3 . 11093 1 360 . 1 1 40 40 GLN C C 13 175.678 0.300 . 1 . . . . 40 GLN C . 11093 1 361 . 1 1 40 40 GLN CA C 13 55.469 0.300 . 1 . . . . 40 GLN CA . 11093 1 362 . 1 1 40 40 GLN CB C 13 30.198 0.300 . 1 . . . . 40 GLN CB . 11093 1 363 . 1 1 40 40 GLN CG C 13 34.145 0.300 . 1 . . . . 40 GLN CG . 11093 1 364 . 1 1 40 40 GLN N N 15 118.549 0.300 . 1 . . . . 40 GLN N . 11093 1 365 . 1 1 40 40 GLN NE2 N 15 112.067 0.300 . 1 . . . . 40 GLN NE2 . 11093 1 366 . 1 1 41 41 TYR H H 1 8.586 0.030 . 1 . . . . 41 TYR H . 11093 1 367 . 1 1 41 41 TYR HA H 1 4.400 0.030 . 1 . . . . 41 TYR HA . 11093 1 368 . 1 1 41 41 TYR HB2 H 1 2.733 0.030 . 2 . . . . 41 TYR HB2 . 11093 1 369 . 1 1 41 41 TYR HB3 H 1 2.682 0.030 . 2 . . . . 41 TYR HB3 . 11093 1 370 . 1 1 41 41 TYR HD1 H 1 6.686 0.030 . 1 . . . . 41 TYR HD1 . 11093 1 371 . 1 1 41 41 TYR HD2 H 1 6.686 0.030 . 1 . . . . 41 TYR HD2 . 11093 1 372 . 1 1 41 41 TYR HE1 H 1 6.557 0.030 . 1 . . . . 41 TYR HE1 . 11093 1 373 . 1 1 41 41 TYR HE2 H 1 6.557 0.030 . 1 . . . . 41 TYR HE2 . 11093 1 374 . 1 1 41 41 TYR C C 13 174.060 0.300 . 1 . . . . 41 TYR C . 11093 1 375 . 1 1 41 41 TYR CA C 13 58.221 0.300 . 1 . . . . 41 TYR CA . 11093 1 376 . 1 1 41 41 TYR CB C 13 38.945 0.300 . 1 . . . . 41 TYR CB . 11093 1 377 . 1 1 41 41 TYR CD1 C 13 132.766 0.300 . 1 . . . . 41 TYR CD1 . 11093 1 378 . 1 1 41 41 TYR CD2 C 13 132.766 0.300 . 1 . . . . 41 TYR CD2 . 11093 1 379 . 1 1 41 41 TYR CE1 C 13 117.899 0.300 . 1 . . . . 41 TYR CE1 . 11093 1 380 . 1 1 41 41 TYR CE2 C 13 117.899 0.300 . 1 . . . . 41 TYR CE2 . 11093 1 381 . 1 1 41 41 TYR N N 15 124.596 0.300 . 1 . . . . 41 TYR N . 11093 1 382 . 1 1 42 42 ASP H H 1 8.057 0.030 . 1 . . . . 42 ASP H . 11093 1 383 . 1 1 42 42 ASP HA H 1 4.815 0.030 . 1 . . . . 42 ASP HA . 11093 1 384 . 1 1 42 42 ASP HB2 H 1 2.718 0.030 . 2 . . . . 42 ASP HB2 . 11093 1 385 . 1 1 42 42 ASP HB3 H 1 2.456 0.030 . 2 . . . . 42 ASP HB3 . 11093 1 386 . 1 1 42 42 ASP C C 13 174.676 0.300 . 1 . . . . 42 ASP C . 11093 1 387 . 1 1 42 42 ASP CA C 13 50.530 0.300 . 1 . . . . 42 ASP CA . 11093 1 388 . 1 1 42 42 ASP CB C 13 41.824 0.300 . 1 . . . . 42 ASP CB . 11093 1 389 . 1 1 42 42 ASP N N 15 124.680 0.300 . 1 . . . . 42 ASP N . 11093 1 390 . 1 1 43 43 PRO HA H 1 4.254 0.030 . 1 . . . . 43 PRO HA . 11093 1 391 . 1 1 43 43 PRO HB2 H 1 2.275 0.030 . 2 . . . . 43 PRO HB2 . 11093 1 392 . 1 1 43 43 PRO HB3 H 1 2.024 0.030 . 2 . . . . 43 PRO HB3 . 11093 1 393 . 1 1 43 43 PRO HD2 H 1 3.450 0.030 . 2 . . . . 43 PRO HD2 . 11093 1 394 . 1 1 43 43 PRO HD3 H 1 3.820 0.030 . 2 . . . . 43 PRO HD3 . 11093 1 395 . 1 1 43 43 PRO HG2 H 1 1.955 0.030 . 1 . . . . 43 PRO HG2 . 11093 1 396 . 1 1 43 43 PRO HG3 H 1 1.955 0.030 . 1 . . . . 43 PRO HG3 . 11093 1 397 . 1 1 43 43 PRO C C 13 177.687 0.300 . 1 . . . . 43 PRO C . 11093 1 398 . 1 1 43 43 PRO CA C 13 63.796 0.300 . 1 . . . . 43 PRO CA . 11093 1 399 . 1 1 43 43 PRO CB C 13 32.171 0.300 . 1 . . . . 43 PRO CB . 11093 1 400 . 1 1 43 43 PRO CD C 13 50.810 0.300 . 1 . . . . 43 PRO CD . 11093 1 401 . 1 1 43 43 PRO CG C 13 26.786 0.300 . 1 . . . . 43 PRO CG . 11093 1 402 . 1 1 44 44 THR H H 1 8.194 0.030 . 1 . . . . 44 THR H . 11093 1 403 . 1 1 44 44 THR HA H 1 4.214 0.030 . 1 . . . . 44 THR HA . 11093 1 404 . 1 1 44 44 THR HB H 1 4.242 0.030 . 1 . . . . 44 THR HB . 11093 1 405 . 1 1 44 44 THR HG21 H 1 1.201 0.030 . 1 . . . . 44 THR HG2 . 11093 1 406 . 1 1 44 44 THR HG22 H 1 1.201 0.030 . 1 . . . . 44 THR HG2 . 11093 1 407 . 1 1 44 44 THR HG23 H 1 1.201 0.030 . 1 . . . . 44 THR HG2 . 11093 1 408 . 1 1 44 44 THR C C 13 175.381 0.300 . 1 . . . . 44 THR C . 11093 1 409 . 1 1 44 44 THR CA C 13 63.178 0.300 . 1 . . . . 44 THR CA . 11093 1 410 . 1 1 44 44 THR CB C 13 69.252 0.300 . 1 . . . . 44 THR CB . 11093 1 411 . 1 1 44 44 THR CG2 C 13 21.686 0.300 . 1 . . . . 44 THR CG2 . 11093 1 412 . 1 1 44 44 THR N N 15 111.305 0.300 . 1 . . . . 44 THR N . 11093 1 413 . 1 1 45 45 LYS H H 1 7.561 0.030 . 1 . . . . 45 LYS H . 11093 1 414 . 1 1 45 45 LYS HA H 1 4.274 0.030 . 1 . . . . 45 LYS HA . 11093 1 415 . 1 1 45 45 LYS HB2 H 1 1.833 0.030 . 2 . . . . 45 LYS HB2 . 11093 1 416 . 1 1 45 45 LYS HB3 H 1 1.704 0.030 . 2 . . . . 45 LYS HB3 . 11093 1 417 . 1 1 45 45 LYS HD2 H 1 1.634 0.030 . 1 . . . . 45 LYS HD2 . 11093 1 418 . 1 1 45 45 LYS HD3 H 1 1.634 0.030 . 1 . . . . 45 LYS HD3 . 11093 1 419 . 1 1 45 45 LYS HE2 H 1 2.954 0.030 . 1 . . . . 45 LYS HE2 . 11093 1 420 . 1 1 45 45 LYS HE3 H 1 2.954 0.030 . 1 . . . . 45 LYS HE3 . 11093 1 421 . 1 1 45 45 LYS HG2 H 1 1.375 0.030 . 2 . . . . 45 LYS HG2 . 11093 1 422 . 1 1 45 45 LYS HG3 H 1 1.295 0.030 . 2 . . . . 45 LYS HG3 . 11093 1 423 . 1 1 45 45 LYS C C 13 176.450 0.300 . 1 . . . . 45 LYS C . 11093 1 424 . 1 1 45 45 LYS CA C 13 56.281 0.300 . 1 . . . . 45 LYS CA . 11093 1 425 . 1 1 45 45 LYS CB C 13 32.917 0.300 . 1 . . . . 45 LYS CB . 11093 1 426 . 1 1 45 45 LYS CD C 13 28.957 0.300 . 1 . . . . 45 LYS CD . 11093 1 427 . 1 1 45 45 LYS CE C 13 42.102 0.300 . 1 . . . . 45 LYS CE . 11093 1 428 . 1 1 45 45 LYS CG C 13 24.827 0.300 . 1 . . . . 45 LYS CG . 11093 1 429 . 1 1 45 45 LYS N N 15 121.778 0.300 . 1 . . . . 45 LYS N . 11093 1 430 . 1 1 46 46 ASN H H 1 8.146 0.030 . 1 . . . . 46 ASN H . 11093 1 431 . 1 1 46 46 ASN HA H 1 4.657 0.030 . 1 . . . . 46 ASN HA . 11093 1 432 . 1 1 46 46 ASN HB2 H 1 2.852 0.030 . 2 . . . . 46 ASN HB2 . 11093 1 433 . 1 1 46 46 ASN HB3 H 1 2.669 0.030 . 2 . . . . 46 ASN HB3 . 11093 1 434 . 1 1 46 46 ASN C C 13 174.965 0.300 . 1 . . . . 46 ASN C . 11093 1 435 . 1 1 46 46 ASN CA C 13 53.458 0.300 . 1 . . . . 46 ASN CA . 11093 1 436 . 1 1 46 46 ASN CB C 13 39.078 0.300 . 1 . . . . 46 ASN CB . 11093 1 437 . 1 1 46 46 ASN N N 15 118.867 0.300 . 1 . . . . 46 ASN N . 11093 1 438 . 1 1 47 47 ALA H H 1 8.208 0.030 . 1 . . . . 47 ALA H . 11093 1 439 . 1 1 47 47 ALA HA H 1 4.308 0.030 . 1 . . . . 47 ALA HA . 11093 1 440 . 1 1 47 47 ALA HB1 H 1 1.391 0.030 . 1 . . . . 47 ALA HB . 11093 1 441 . 1 1 47 47 ALA HB2 H 1 1.391 0.030 . 1 . . . . 47 ALA HB . 11093 1 442 . 1 1 47 47 ALA HB3 H 1 1.391 0.030 . 1 . . . . 47 ALA HB . 11093 1 443 . 1 1 47 47 ALA C C 13 177.835 0.300 . 1 . . . . 47 ALA C . 11093 1 444 . 1 1 47 47 ALA CA C 13 52.929 0.300 . 1 . . . . 47 ALA CA . 11093 1 445 . 1 1 47 47 ALA CB C 13 19.181 0.300 . 1 . . . . 47 ALA CB . 11093 1 446 . 1 1 47 47 ALA N N 15 124.269 0.300 . 1 . . . . 47 ALA N . 11093 1 447 . 1 1 48 48 SER H H 1 8.234 0.030 . 1 . . . . 48 SER H . 11093 1 448 . 1 1 48 48 SER HA H 1 4.391 0.030 . 1 . . . . 48 SER HA . 11093 1 449 . 1 1 48 48 SER HB2 H 1 3.866 0.030 . 1 . . . . 48 SER HB2 . 11093 1 450 . 1 1 48 48 SER HB3 H 1 3.866 0.030 . 1 . . . . 48 SER HB3 . 11093 1 451 . 1 1 48 48 SER C C 13 174.482 0.300 . 1 . . . . 48 SER C . 11093 1 452 . 1 1 48 48 SER CA C 13 58.503 0.300 . 1 . . . . 48 SER CA . 11093 1 453 . 1 1 48 48 SER CB C 13 63.785 0.300 . 1 . . . . 48 SER CB . 11093 1 454 . 1 1 48 48 SER N N 15 114.637 0.300 . 1 . . . . 48 SER N . 11093 1 455 . 1 1 49 49 LYS H H 1 8.221 0.030 . 1 . . . . 49 LYS H . 11093 1 456 . 1 1 49 49 LYS HA H 1 4.314 0.030 . 1 . . . . 49 LYS HA . 11093 1 457 . 1 1 49 49 LYS HB2 H 1 1.775 0.030 . 1 . . . . 49 LYS HB2 . 11093 1 458 . 1 1 49 49 LYS HB3 H 1 1.775 0.030 . 1 . . . . 49 LYS HB3 . 11093 1 459 . 1 1 49 49 LYS HD2 H 1 1.672 0.030 . 1 . . . . 49 LYS HD2 . 11093 1 460 . 1 1 49 49 LYS HD3 H 1 1.672 0.030 . 1 . . . . 49 LYS HD3 . 11093 1 461 . 1 1 49 49 LYS HE2 H 1 2.972 0.030 . 1 . . . . 49 LYS HE2 . 11093 1 462 . 1 1 49 49 LYS HE3 H 1 2.972 0.030 . 1 . . . . 49 LYS HE3 . 11093 1 463 . 1 1 49 49 LYS HG2 H 1 1.428 0.030 . 1 . . . . 49 LYS HG2 . 11093 1 464 . 1 1 49 49 LYS HG3 H 1 1.428 0.030 . 1 . . . . 49 LYS HG3 . 11093 1 465 . 1 1 49 49 LYS C C 13 176.141 0.300 . 1 . . . . 49 LYS C . 11093 1 466 . 1 1 49 49 LYS CA C 13 56.104 0.300 . 1 . . . . 49 LYS CA . 11093 1 467 . 1 1 49 49 LYS CB C 13 32.952 0.300 . 1 . . . . 49 LYS CB . 11093 1 468 . 1 1 49 49 LYS CD C 13 29.047 0.300 . 1 . . . . 49 LYS CD . 11093 1 469 . 1 1 49 49 LYS CE C 13 42.120 0.300 . 1 . . . . 49 LYS CE . 11093 1 470 . 1 1 49 49 LYS CG C 13 24.607 0.300 . 1 . . . . 49 LYS CG . 11093 1 471 . 1 1 49 49 LYS N N 15 123.032 0.300 . 1 . . . . 49 LYS N . 11093 1 472 . 1 1 50 50 LYS H H 1 8.244 0.030 . 1 . . . . 50 LYS H . 11093 1 473 . 1 1 50 50 LYS HA H 1 4.554 0.030 . 1 . . . . 50 LYS HA . 11093 1 474 . 1 1 50 50 LYS HB2 H 1 1.806 0.030 . 2 . . . . 50 LYS HB2 . 11093 1 475 . 1 1 50 50 LYS HB3 H 1 1.692 0.030 . 2 . . . . 50 LYS HB3 . 11093 1 476 . 1 1 50 50 LYS HD2 H 1 1.674 0.030 . 1 . . . . 50 LYS HD2 . 11093 1 477 . 1 1 50 50 LYS HD3 H 1 1.674 0.030 . 1 . . . . 50 LYS HD3 . 11093 1 478 . 1 1 50 50 LYS HE2 H 1 2.976 0.030 . 1 . . . . 50 LYS HE2 . 11093 1 479 . 1 1 50 50 LYS HE3 H 1 2.976 0.030 . 1 . . . . 50 LYS HE3 . 11093 1 480 . 1 1 50 50 LYS HG2 H 1 1.445 0.030 . 1 . . . . 50 LYS HG2 . 11093 1 481 . 1 1 50 50 LYS HG3 H 1 1.445 0.030 . 1 . . . . 50 LYS HG3 . 11093 1 482 . 1 1 50 50 LYS C C 13 174.337 0.300 . 1 . . . . 50 LYS C . 11093 1 483 . 1 1 50 50 LYS CA C 13 54.270 0.300 . 1 . . . . 50 LYS CA . 11093 1 484 . 1 1 50 50 LYS CB C 13 32.911 0.300 . 1 . . . . 50 LYS CB . 11093 1 485 . 1 1 50 50 LYS CD C 13 29.065 0.300 . 1 . . . . 50 LYS CD . 11093 1 486 . 1 1 50 50 LYS CE C 13 42.171 0.300 . 1 . . . . 50 LYS CE . 11093 1 487 . 1 1 50 50 LYS CG C 13 24.697 0.300 . 1 . . . . 50 LYS CG . 11093 1 488 . 1 1 50 50 LYS N N 15 124.046 0.300 . 1 . . . . 50 LYS N . 11093 1 489 . 1 1 51 51 PRO HA H 1 4.413 0.030 . 1 . . . . 51 PRO HA . 11093 1 490 . 1 1 51 51 PRO HB2 H 1 2.233 0.030 . 2 . . . . 51 PRO HB2 . 11093 1 491 . 1 1 51 51 PRO HB3 H 1 1.865 0.030 . 2 . . . . 51 PRO HB3 . 11093 1 492 . 1 1 51 51 PRO HD2 H 1 3.597 0.030 . 2 . . . . 51 PRO HD2 . 11093 1 493 . 1 1 51 51 PRO HD3 H 1 3.765 0.030 . 2 . . . . 51 PRO HD3 . 11093 1 494 . 1 1 51 51 PRO HG2 H 1 1.727 0.030 . 2 . . . . 51 PRO HG2 . 11093 1 495 . 1 1 51 51 PRO HG3 H 1 1.501 0.030 . 2 . . . . 51 PRO HG3 . 11093 1 496 . 1 1 51 51 PRO C C 13 176.533 0.300 . 1 . . . . 51 PRO C . 11093 1 497 . 1 1 51 51 PRO CA C 13 62.808 0.300 . 1 . . . . 51 PRO CA . 11093 1 498 . 1 1 51 51 PRO CB C 13 32.034 0.300 . 1 . . . . 51 PRO CB . 11093 1 499 . 1 1 51 51 PRO CD C 13 50.753 0.300 . 1 . . . . 51 PRO CD . 11093 1 500 . 1 1 51 51 PRO CG C 13 26.867 0.300 . 1 . . . . 51 PRO CG . 11093 1 501 . 1 1 52 52 LEU H H 1 8.321 0.030 . 1 . . . . 52 LEU H . 11093 1 502 . 1 1 52 52 LEU HA H 1 4.576 0.030 . 1 . . . . 52 LEU HA . 11093 1 503 . 1 1 52 52 LEU HB2 H 1 1.554 0.030 . 1 . . . . 52 LEU HB2 . 11093 1 504 . 1 1 52 52 LEU HB3 H 1 1.554 0.030 . 1 . . . . 52 LEU HB3 . 11093 1 505 . 1 1 52 52 LEU HD11 H 1 0.934 0.030 . 1 . . . . 52 LEU HD1 . 11093 1 506 . 1 1 52 52 LEU HD12 H 1 0.934 0.030 . 1 . . . . 52 LEU HD1 . 11093 1 507 . 1 1 52 52 LEU HD13 H 1 0.934 0.030 . 1 . . . . 52 LEU HD1 . 11093 1 508 . 1 1 52 52 LEU HD21 H 1 0.913 0.030 . 1 . . . . 52 LEU HD2 . 11093 1 509 . 1 1 52 52 LEU HD22 H 1 0.913 0.030 . 1 . . . . 52 LEU HD2 . 11093 1 510 . 1 1 52 52 LEU HD23 H 1 0.913 0.030 . 1 . . . . 52 LEU HD2 . 11093 1 511 . 1 1 52 52 LEU HG H 1 1.714 0.030 . 1 . . . . 52 LEU HG . 11093 1 512 . 1 1 52 52 LEU C C 13 174.918 0.300 . 1 . . . . 52 LEU C . 11093 1 513 . 1 1 52 52 LEU CA C 13 52.929 0.300 . 1 . . . . 52 LEU CA . 11093 1 514 . 1 1 52 52 LEU CB C 13 41.602 0.300 . 1 . . . . 52 LEU CB . 11093 1 515 . 1 1 52 52 LEU CD1 C 13 25.264 0.300 . 2 . . . . 52 LEU CD1 . 11093 1 516 . 1 1 52 52 LEU CD2 C 13 23.434 0.300 . 2 . . . . 52 LEU CD2 . 11093 1 517 . 1 1 52 52 LEU CG C 13 27.182 0.300 . 1 . . . . 52 LEU CG . 11093 1 518 . 1 1 52 52 LEU N N 15 124.001 0.300 . 1 . . . . 52 LEU N . 11093 1 519 . 1 1 53 53 PRO HA H 1 4.656 0.030 . 1 . . . . 53 PRO HA . 11093 1 520 . 1 1 53 53 PRO HB2 H 1 2.314 0.030 . 2 . . . . 53 PRO HB2 . 11093 1 521 . 1 1 53 53 PRO HB3 H 1 1.885 0.030 . 2 . . . . 53 PRO HB3 . 11093 1 522 . 1 1 53 53 PRO HD2 H 1 3.815 0.030 . 2 . . . . 53 PRO HD2 . 11093 1 523 . 1 1 53 53 PRO HD3 H 1 3.603 0.030 . 2 . . . . 53 PRO HD3 . 11093 1 524 . 1 1 53 53 PRO HG2 H 1 2.005 0.030 . 1 . . . . 53 PRO HG2 . 11093 1 525 . 1 1 53 53 PRO HG3 H 1 2.005 0.030 . 1 . . . . 53 PRO HG3 . 11093 1 526 . 1 1 53 53 PRO CA C 13 61.344 0.300 . 1 . . . . 53 PRO CA . 11093 1 527 . 1 1 53 53 PRO CB C 13 30.772 0.300 . 1 . . . . 53 PRO CB . 11093 1 528 . 1 1 53 53 PRO CD C 13 50.429 0.300 . 1 . . . . 53 PRO CD . 11093 1 529 . 1 1 53 53 PRO CG C 13 27.356 0.300 . 1 . . . . 53 PRO CG . 11093 1 530 . 1 1 54 54 PRO HA H 1 4.501 0.030 . 1 . . . . 54 PRO HA . 11093 1 531 . 1 1 54 54 PRO HB2 H 1 2.279 0.030 . 2 . . . . 54 PRO HB2 . 11093 1 532 . 1 1 54 54 PRO HB3 H 1 1.893 0.030 . 2 . . . . 54 PRO HB3 . 11093 1 533 . 1 1 54 54 PRO HD2 H 1 3.781 0.030 . 2 . . . . 54 PRO HD2 . 11093 1 534 . 1 1 54 54 PRO HD3 H 1 3.625 0.030 . 2 . . . . 54 PRO HD3 . 11093 1 535 . 1 1 54 54 PRO HG2 H 1 1.993 0.030 . 1 . . . . 54 PRO HG2 . 11093 1 536 . 1 1 54 54 PRO HG3 H 1 1.993 0.030 . 1 . . . . 54 PRO HG3 . 11093 1 537 . 1 1 54 54 PRO C C 13 176.871 0.300 . 1 . . . . 54 PRO C . 11093 1 538 . 1 1 54 54 PRO CA C 13 62.878 0.300 . 1 . . . . 54 PRO CA . 11093 1 539 . 1 1 54 54 PRO CB C 13 31.925 0.300 . 1 . . . . 54 PRO CB . 11093 1 540 . 1 1 54 54 PRO CD C 13 50.489 0.300 . 1 . . . . 54 PRO CD . 11093 1 541 . 1 1 54 54 PRO CG C 13 27.238 0.300 . 1 . . . . 54 PRO CG . 11093 1 542 . 1 1 55 55 THR H H 1 8.305 0.030 . 1 . . . . 55 THR H . 11093 1 543 . 1 1 55 55 THR HA H 1 4.601 0.030 . 1 . . . . 55 THR HA . 11093 1 544 . 1 1 55 55 THR HB H 1 4.203 0.030 . 1 . . . . 55 THR HB . 11093 1 545 . 1 1 55 55 THR HG21 H 1 1.243 0.030 . 1 . . . . 55 THR HG2 . 11093 1 546 . 1 1 55 55 THR HG22 H 1 1.243 0.030 . 1 . . . . 55 THR HG2 . 11093 1 547 . 1 1 55 55 THR HG23 H 1 1.243 0.030 . 1 . . . . 55 THR HG2 . 11093 1 548 . 1 1 55 55 THR C C 13 173.222 0.300 . 1 . . . . 55 THR C . 11093 1 549 . 1 1 55 55 THR CA C 13 59.703 0.300 . 1 . . . . 55 THR CA . 11093 1 550 . 1 1 55 55 THR CB C 13 69.737 0.300 . 1 . . . . 55 THR CB . 11093 1 551 . 1 1 55 55 THR CG2 C 13 21.595 0.300 . 1 . . . . 55 THR CG2 . 11093 1 552 . 1 1 55 55 THR N N 15 116.356 0.300 . 1 . . . . 55 THR N . 11093 1 553 . 1 1 56 56 PRO HA H 1 4.373 0.030 . 1 . . . . 56 PRO HA . 11093 1 554 . 1 1 56 56 PRO HB2 H 1 2.298 0.030 . 2 . . . . 56 PRO HB2 . 11093 1 555 . 1 1 56 56 PRO HB3 H 1 1.913 0.030 . 2 . . . . 56 PRO HB3 . 11093 1 556 . 1 1 56 56 PRO HD2 H 1 3.711 0.030 . 2 . . . . 56 PRO HD2 . 11093 1 557 . 1 1 56 56 PRO HD3 H 1 3.836 0.030 . 2 . . . . 56 PRO HD3 . 11093 1 558 . 1 1 56 56 PRO HG2 H 1 2.046 0.030 . 2 . . . . 56 PRO HG2 . 11093 1 559 . 1 1 56 56 PRO HG3 H 1 1.944 0.030 . 2 . . . . 56 PRO HG3 . 11093 1 560 . 1 1 56 56 PRO C C 13 177.235 0.300 . 1 . . . . 56 PRO C . 11093 1 561 . 1 1 56 56 PRO CA C 13 63.619 0.300 . 1 . . . . 56 PRO CA . 11093 1 562 . 1 1 56 56 PRO CB C 13 32.007 0.300 . 1 . . . . 56 PRO CB . 11093 1 563 . 1 1 56 56 PRO CD C 13 50.749 0.300 . 1 . . . . 56 PRO CD . 11093 1 564 . 1 1 56 56 PRO CG C 13 27.517 0.300 . 1 . . . . 56 PRO CG . 11093 1 565 . 1 1 57 57 GLU H H 1 8.500 0.030 . 1 . . . . 57 GLU H . 11093 1 566 . 1 1 57 57 GLU HA H 1 4.179 0.030 . 1 . . . . 57 GLU HA . 11093 1 567 . 1 1 57 57 GLU HB2 H 1 2.017 0.030 . 2 . . . . 57 GLU HB2 . 11093 1 568 . 1 1 57 57 GLU HB3 H 1 1.918 0.030 . 2 . . . . 57 GLU HB3 . 11093 1 569 . 1 1 57 57 GLU HG2 H 1 2.261 0.030 . 1 . . . . 57 GLU HG2 . 11093 1 570 . 1 1 57 57 GLU HG3 H 1 2.261 0.030 . 1 . . . . 57 GLU HG3 . 11093 1 571 . 1 1 57 57 GLU C C 13 176.424 0.300 . 1 . . . . 57 GLU C . 11093 1 572 . 1 1 57 57 GLU CA C 13 57.004 0.300 . 1 . . . . 57 GLU CA . 11093 1 573 . 1 1 57 57 GLU CB C 13 29.993 0.300 . 1 . . . . 57 GLU CB . 11093 1 574 . 1 1 57 57 GLU CG C 13 36.365 0.300 . 1 . . . . 57 GLU CG . 11093 1 575 . 1 1 57 57 GLU N N 15 120.493 0.300 . 1 . . . . 57 GLU N . 11093 1 576 . 1 1 58 58 ASP H H 1 8.234 0.030 . 1 . . . . 58 ASP H . 11093 1 577 . 1 1 58 58 ASP HA H 1 4.542 0.030 . 1 . . . . 58 ASP HA . 11093 1 578 . 1 1 58 58 ASP HB2 H 1 2.709 0.030 . 2 . . . . 58 ASP HB2 . 11093 1 579 . 1 1 58 58 ASP HB3 H 1 2.635 0.030 . 2 . . . . 58 ASP HB3 . 11093 1 580 . 1 1 58 58 ASP C C 13 176.204 0.300 . 1 . . . . 58 ASP C . 11093 1 581 . 1 1 58 58 ASP CA C 13 54.464 0.300 . 1 . . . . 58 ASP CA . 11093 1 582 . 1 1 58 58 ASP CB C 13 41.215 0.300 . 1 . . . . 58 ASP CB . 11093 1 583 . 1 1 58 58 ASP N N 15 121.048 0.300 . 1 . . . . 58 ASP N . 11093 1 584 . 1 1 59 59 ASN H H 1 8.317 0.030 . 1 . . . . 59 ASN H . 11093 1 585 . 1 1 59 59 ASN HA H 1 4.660 0.030 . 1 . . . . 59 ASN HA . 11093 1 586 . 1 1 59 59 ASN HB2 H 1 2.758 0.030 . 2 . . . . 59 ASN HB2 . 11093 1 587 . 1 1 59 59 ASN HB3 H 1 2.829 0.030 . 2 . . . . 59 ASN HB3 . 11093 1 588 . 1 1 59 59 ASN HD21 H 1 7.560 0.030 . 2 . . . . 59 ASN HD21 . 11093 1 589 . 1 1 59 59 ASN HD22 H 1 6.871 0.030 . 2 . . . . 59 ASN HD22 . 11093 1 590 . 1 1 59 59 ASN C C 13 175.260 0.300 . 1 . . . . 59 ASN C . 11093 1 591 . 1 1 59 59 ASN CA C 13 53.352 0.300 . 1 . . . . 59 ASN CA . 11093 1 592 . 1 1 59 59 ASN CB C 13 38.708 0.300 . 1 . . . . 59 ASN CB . 11093 1 593 . 1 1 59 59 ASN N N 15 119.344 0.300 . 1 . . . . 59 ASN N . 11093 1 594 . 1 1 59 59 ASN ND2 N 15 112.416 0.300 . 1 . . . . 59 ASN ND2 . 11093 1 595 . 1 1 60 60 ARG H H 1 8.142 0.030 . 1 . . . . 60 ARG H . 11093 1 596 . 1 1 60 60 ARG HA H 1 4.274 0.030 . 1 . . . . 60 ARG HA . 11093 1 597 . 1 1 60 60 ARG HB2 H 1 1.834 0.030 . 2 . . . . 60 ARG HB2 . 11093 1 598 . 1 1 60 60 ARG HB3 H 1 1.771 0.030 . 2 . . . . 60 ARG HB3 . 11093 1 599 . 1 1 60 60 ARG HD2 H 1 3.174 0.030 . 1 . . . . 60 ARG HD2 . 11093 1 600 . 1 1 60 60 ARG HD3 H 1 3.174 0.030 . 1 . . . . 60 ARG HD3 . 11093 1 601 . 1 1 60 60 ARG HG2 H 1 1.607 0.030 . 1 . . . . 60 ARG HG2 . 11093 1 602 . 1 1 60 60 ARG HG3 H 1 1.607 0.030 . 1 . . . . 60 ARG HG3 . 11093 1 603 . 1 1 60 60 ARG C C 13 176.083 0.300 . 1 . . . . 60 ARG C . 11093 1 604 . 1 1 60 60 ARG CA C 13 56.110 0.300 . 1 . . . . 60 ARG CA . 11093 1 605 . 1 1 60 60 ARG CB C 13 30.527 0.300 . 1 . . . . 60 ARG CB . 11093 1 606 . 1 1 60 60 ARG CD C 13 43.436 0.300 . 1 . . . . 60 ARG CD . 11093 1 607 . 1 1 60 60 ARG CG C 13 26.827 0.300 . 1 . . . . 60 ARG CG . 11093 1 608 . 1 1 60 60 ARG N N 15 120.541 0.300 . 1 . . . . 60 ARG N . 11093 1 609 . 1 1 61 61 ARG H H 1 8.142 0.030 . 1 . . . . 61 ARG H . 11093 1 610 . 1 1 61 61 ARG HA H 1 4.543 0.030 . 1 . . . . 61 ARG HA . 11093 1 611 . 1 1 61 61 ARG HB2 H 1 1.684 0.030 . 2 . . . . 61 ARG HB2 . 11093 1 612 . 1 1 61 61 ARG HB3 H 1 1.782 0.030 . 2 . . . . 61 ARG HB3 . 11093 1 613 . 1 1 61 61 ARG HD2 H 1 3.143 0.030 . 1 . . . . 61 ARG HD2 . 11093 1 614 . 1 1 61 61 ARG HD3 H 1 3.143 0.030 . 1 . . . . 61 ARG HD3 . 11093 1 615 . 1 1 61 61 ARG HG2 H 1 1.607 0.030 . 1 . . . . 61 ARG HG2 . 11093 1 616 . 1 1 61 61 ARG HG3 H 1 1.607 0.030 . 1 . . . . 61 ARG HG3 . 11093 1 617 . 1 1 61 61 ARG C C 13 174.022 0.300 . 1 . . . . 61 ARG C . 11093 1 618 . 1 1 61 61 ARG CA C 13 54.023 0.300 . 1 . . . . 61 ARG CA . 11093 1 619 . 1 1 61 61 ARG CB C 13 30.116 0.300 . 1 . . . . 61 ARG CB . 11093 1 620 . 1 1 61 61 ARG CD C 13 43.391 0.300 . 1 . . . . 61 ARG CD . 11093 1 621 . 1 1 61 61 ARG CG C 13 26.746 0.300 . 1 . . . . 61 ARG CG . 11093 1 622 . 1 1 61 61 ARG N N 15 122.967 0.300 . 1 . . . . 61 ARG N . 11093 1 623 . 1 1 62 62 PRO HA H 1 4.284 0.030 . 1 . . . . 62 PRO HA . 11093 1 624 . 1 1 62 62 PRO HB2 H 1 2.073 0.030 . 2 . . . . 62 PRO HB2 . 11093 1 625 . 1 1 62 62 PRO HB3 H 1 1.671 0.030 . 2 . . . . 62 PRO HB3 . 11093 1 626 . 1 1 62 62 PRO HD2 H 1 3.727 0.030 . 2 . . . . 62 PRO HD2 . 11093 1 627 . 1 1 62 62 PRO HD3 H 1 3.552 0.030 . 2 . . . . 62 PRO HD3 . 11093 1 628 . 1 1 62 62 PRO HG2 H 1 1.910 0.030 . 1 . . . . 62 PRO HG2 . 11093 1 629 . 1 1 62 62 PRO HG3 H 1 1.910 0.030 . 1 . . . . 62 PRO HG3 . 11093 1 630 . 1 1 62 62 PRO C C 13 176.594 0.300 . 1 . . . . 62 PRO C . 11093 1 631 . 1 1 62 62 PRO CA C 13 62.919 0.300 . 1 . . . . 62 PRO CA . 11093 1 632 . 1 1 62 62 PRO CB C 13 31.847 0.300 . 1 . . . . 62 PRO CB . 11093 1 633 . 1 1 62 62 PRO CD C 13 50.589 0.300 . 1 . . . . 62 PRO CD . 11093 1 634 . 1 1 62 62 PRO CG C 13 27.156 0.300 . 1 . . . . 62 PRO CG . 11093 1 635 . 1 1 63 63 LEU H H 1 8.118 0.030 . 1 . . . . 63 LEU H . 11093 1 636 . 1 1 63 63 LEU HA H 1 4.183 0.030 . 1 . . . . 63 LEU HA . 11093 1 637 . 1 1 63 63 LEU HB2 H 1 1.408 0.030 . 1 . . . . 63 LEU HB2 . 11093 1 638 . 1 1 63 63 LEU HB3 H 1 1.408 0.030 . 1 . . . . 63 LEU HB3 . 11093 1 639 . 1 1 63 63 LEU HD11 H 1 0.847 0.030 . 1 . . . . 63 LEU HD1 . 11093 1 640 . 1 1 63 63 LEU HD12 H 1 0.847 0.030 . 1 . . . . 63 LEU HD1 . 11093 1 641 . 1 1 63 63 LEU HD13 H 1 0.847 0.030 . 1 . . . . 63 LEU HD1 . 11093 1 642 . 1 1 63 63 LEU HD21 H 1 0.785 0.030 . 1 . . . . 63 LEU HD2 . 11093 1 643 . 1 1 63 63 LEU HD22 H 1 0.785 0.030 . 1 . . . . 63 LEU HD2 . 11093 1 644 . 1 1 63 63 LEU HD23 H 1 0.785 0.030 . 1 . . . . 63 LEU HD2 . 11093 1 645 . 1 1 63 63 LEU HG H 1 1.521 0.030 . 1 . . . . 63 LEU HG . 11093 1 646 . 1 1 63 63 LEU C C 13 176.052 0.300 . 1 . . . . 63 LEU C . 11093 1 647 . 1 1 63 63 LEU CA C 13 55.292 0.300 . 1 . . . . 63 LEU CA . 11093 1 648 . 1 1 63 63 LEU CB C 13 42.325 0.300 . 1 . . . . 63 LEU CB . 11093 1 649 . 1 1 63 63 LEU CD1 C 13 24.936 0.300 . 2 . . . . 63 LEU CD1 . 11093 1 650 . 1 1 63 63 LEU CD2 C 13 23.210 0.300 . 2 . . . . 63 LEU CD2 . 11093 1 651 . 1 1 63 63 LEU CG C 13 26.867 0.300 . 1 . . . . 63 LEU CG . 11093 1 652 . 1 1 63 63 LEU N N 15 122.093 0.300 . 1 . . . . 63 LEU N . 11093 1 653 . 1 1 64 64 TRP H H 1 7.396 0.030 . 1 . . . . 64 TRP H . 11093 1 654 . 1 1 64 64 TRP HA H 1 4.479 0.030 . 1 . . . . 64 TRP HA . 11093 1 655 . 1 1 64 64 TRP HB2 H 1 3.328 0.030 . 2 . . . . 64 TRP HB2 . 11093 1 656 . 1 1 64 64 TRP HB3 H 1 3.152 0.030 . 2 . . . . 64 TRP HB3 . 11093 1 657 . 1 1 64 64 TRP HD1 H 1 7.163 0.030 . 1 . . . . 64 TRP HD1 . 11093 1 658 . 1 1 64 64 TRP HE1 H 1 10.037 0.030 . 1 . . . . 64 TRP HE1 . 11093 1 659 . 1 1 64 64 TRP HE3 H 1 7.626 0.030 . 1 . . . . 64 TRP HE3 . 11093 1 660 . 1 1 64 64 TRP HH2 H 1 7.216 0.030 . 1 . . . . 64 TRP HH2 . 11093 1 661 . 1 1 64 64 TRP HZ2 H 1 7.458 0.030 . 1 . . . . 64 TRP HZ2 . 11093 1 662 . 1 1 64 64 TRP HZ3 H 1 7.134 0.030 . 1 . . . . 64 TRP HZ3 . 11093 1 663 . 1 1 64 64 TRP C C 13 180.659 0.300 . 1 . . . . 64 TRP C . 11093 1 664 . 1 1 64 64 TRP CA C 13 58.151 0.300 . 1 . . . . 64 TRP CA . 11093 1 665 . 1 1 64 64 TRP CB C 13 30.116 0.300 . 1 . . . . 64 TRP CB . 11093 1 666 . 1 1 64 64 TRP CD1 C 13 126.937 0.300 . 1 . . . . 64 TRP CD1 . 11093 1 667 . 1 1 64 64 TRP CE3 C 13 121.427 0.300 . 1 . . . . 64 TRP CE3 . 11093 1 668 . 1 1 64 64 TRP CH2 C 13 124.455 0.300 . 1 . . . . 64 TRP CH2 . 11093 1 669 . 1 1 64 64 TRP CZ2 C 13 114.413 0.300 . 1 . . . . 64 TRP CZ2 . 11093 1 670 . 1 1 64 64 TRP CZ3 C 13 121.557 0.300 . 1 . . . . 64 TRP CZ3 . 11093 1 671 . 1 1 64 64 TRP N N 15 124.921 0.300 . 1 . . . . 64 TRP N . 11093 1 672 . 1 1 64 64 TRP NE1 N 15 128.690 0.300 . 1 . . . . 64 TRP NE1 . 11093 1 stop_ save_