data_11157 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11157 _Entry.Title ; Solution structure of the BTK motif of human Cytoplasmic tyrosine-protein kinase BMX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _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. Abe . . . 11157 2 N. Tochio . . . 11157 3 T. Tomizawa . . . 11157 4 S. Koshiba . . . 11157 5 M. Yoneyama . . . 11157 6 M. Inoue . . . 11157 7 T. Kigawa . . . 11157 8 S. Yokoyama . . . 11157 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)' . 11157 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11157 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 176 11157 '15N chemical shifts' 39 11157 '1H chemical shifts' 264 11157 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 . . 2011-05-05 2010-04-15 original author . 11157 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YS2 'BMRB Entry Tracking System' 11157 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11157 _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 human Cytoplasmic tyrosine-protein kinase BMX ; _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. Abe . . . 11157 1 2 N. Tochio . . . 11157 1 3 T. Tomizawa . . . 11157 1 4 S. Koshiba . . . 11157 1 5 M. Yoneyama . . . 11157 1 6 M. Inoue . . . 11157 1 7 T. Kigawa . . . 11157 1 8 S. Yokoyama . . . 11157 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11157 _Assembly.ID 1 _Assembly.Name 'Cytoplasmic tyrosine-protein kinase BMX' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 E.C.2.7.10.2 _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 1 $entity_1 A . yes native no no . . . 11157 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 11157 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 1 HIS 16 16 ND1 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 16 HIS ND1 . . . . ZN 11157 1 2 coordination single . 1 BTK 1 CYS 27 27 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 27 CYS SG . . . . ZN 11157 1 3 coordination single . 1 BTK 1 CYS 28 28 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11157 1 4 coordination single . 1 BTK 1 CYS 38 38 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11157 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 11157 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11157 1 . . 1 1 HIS 16 16 HD1 . 16 HIS HD1 11157 1 . . 1 1 CYS 27 27 HG . 27 CYS HG 11157 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 2ys2 . . . . . . 11157 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11157 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BTK _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 ; GSSGSSGNPHLLVKYHSGFF VDGKFLCCQQSCKAAPGCTL WEAYSGPSSG ; _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 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2YS2 . "Solution Structure Of The Btk Motif Of Human Cytoplasmic Tyrosine-Protein Kinase Bmx" . . . . . 100.00 50 100.00 100.00 1.48e-26 . . . . 11157 1 2 no DBJ BAG36341 . "unnamed protein product [Homo sapiens]" . . . . . 78.00 675 97.44 100.00 2.69e-20 . . . . 11157 1 3 no GB AAC08966 . "Etk/Bmx cytosolic tyrosine kinase [Homo sapiens]" . . . . . 78.00 697 97.44 100.00 2.15e-20 . . . . 11157 1 4 no REF XP_002831455 . "PREDICTED: cytoplasmic tyrosine-protein kinase BMX isoform X1 [Pongo abelii]" . . . . . 78.00 679 97.44 100.00 2.67e-20 . . . . 11157 1 5 no REF XP_003261130 . "PREDICTED: cytoplasmic tyrosine-protein kinase BMX isoform X2 [Nomascus leucogenys]" . . . . . 78.00 679 97.44 100.00 2.35e-20 . . . . 11157 1 6 no REF XP_003805761 . "PREDICTED: cytoplasmic tyrosine-protein kinase BMX isoform X1 [Pan paniscus]" . . . . . 78.00 679 97.44 100.00 2.69e-20 . . . . 11157 1 7 no REF XP_012356387 . "PREDICTED: cytoplasmic tyrosine-protein kinase BMX isoform X1 [Nomascus leucogenys]" . . . . . 78.00 680 97.44 100.00 2.35e-20 . . . . 11157 1 8 no REF XP_012640214 . "PREDICTED: cytoplasmic tyrosine-protein kinase BMX isoform X1 [Microcebus murinus]" . . . . . 76.00 662 97.37 100.00 5.90e-20 . . . . 11157 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BTK . 11157 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 . 11157 1 2 . SER . 11157 1 3 . SER . 11157 1 4 . GLY . 11157 1 5 . SER . 11157 1 6 . SER . 11157 1 7 . GLY . 11157 1 8 . ASN . 11157 1 9 . PRO . 11157 1 10 . HIS . 11157 1 11 . LEU . 11157 1 12 . LEU . 11157 1 13 . VAL . 11157 1 14 . LYS . 11157 1 15 . TYR . 11157 1 16 . HIS . 11157 1 17 . SER . 11157 1 18 . GLY . 11157 1 19 . PHE . 11157 1 20 . PHE . 11157 1 21 . VAL . 11157 1 22 . ASP . 11157 1 23 . GLY . 11157 1 24 . LYS . 11157 1 25 . PHE . 11157 1 26 . LEU . 11157 1 27 . CYS . 11157 1 28 . CYS . 11157 1 29 . GLN . 11157 1 30 . GLN . 11157 1 31 . SER . 11157 1 32 . CYS . 11157 1 33 . LYS . 11157 1 34 . ALA . 11157 1 35 . ALA . 11157 1 36 . PRO . 11157 1 37 . GLY . 11157 1 38 . CYS . 11157 1 39 . THR . 11157 1 40 . LEU . 11157 1 41 . TRP . 11157 1 42 . GLU . 11157 1 43 . ALA . 11157 1 44 . TYR . 11157 1 45 . SER . 11157 1 46 . GLY . 11157 1 47 . PRO . 11157 1 48 . SER . 11157 1 49 . SER . 11157 1 50 . GLY . 11157 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 11157 1 . SER 2 2 11157 1 . SER 3 3 11157 1 . GLY 4 4 11157 1 . SER 5 5 11157 1 . SER 6 6 11157 1 . GLY 7 7 11157 1 . ASN 8 8 11157 1 . PRO 9 9 11157 1 . HIS 10 10 11157 1 . LEU 11 11 11157 1 . LEU 12 12 11157 1 . VAL 13 13 11157 1 . LYS 14 14 11157 1 . TYR 15 15 11157 1 . HIS 16 16 11157 1 . SER 17 17 11157 1 . GLY 18 18 11157 1 . PHE 19 19 11157 1 . PHE 20 20 11157 1 . VAL 21 21 11157 1 . ASP 22 22 11157 1 . GLY 23 23 11157 1 . LYS 24 24 11157 1 . PHE 25 25 11157 1 . LEU 26 26 11157 1 . CYS 27 27 11157 1 . CYS 28 28 11157 1 . GLN 29 29 11157 1 . GLN 30 30 11157 1 . SER 31 31 11157 1 . CYS 32 32 11157 1 . LYS 33 33 11157 1 . ALA 34 34 11157 1 . ALA 35 35 11157 1 . PRO 36 36 11157 1 . GLY 37 37 11157 1 . CYS 38 38 11157 1 . THR 39 39 11157 1 . LEU 40 40 11157 1 . TRP 41 41 11157 1 . GLU 42 42 11157 1 . ALA 43 43 11157 1 . TYR 44 44 11157 1 . SER 45 45 11157 1 . GLY 46 46 11157 1 . PRO 47 47 11157 1 . SER 48 48 11157 1 . SER 49 49 11157 1 . GLY 50 50 11157 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11157 _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 . 11157 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 11157 _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 . . . . . . . . . . . . . . . . . . . . . 11157 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 11157 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050905-12 . . . . . . 11157 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 11157 _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 11157 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11157 ZN [Zn++] SMILES CACTVS 3.341 11157 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11157 ZN [Zn+2] SMILES ACDLabs 10.04 11157 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11157 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11157 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 11157 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11157 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 . . 11157 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11157 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.29mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O 50 uM ZnCl2 ; _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 '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.29 . . mM . . . . 11157 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11157 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11157 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11157 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11157 1 6 ZnCl2 'natural abundance' . . . . . salt 50 . . uM . . . . 11157 1 7 H2O . . . . . . solvent 90 . . % . . . . 11157 1 8 D2O . . . . . . solvent 10 . . % . . . . 11157 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 11157 _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 11157 1 pH 7.0 0.05 pH 11157 1 pressure 1 0.001 atm 11157 1 temperature 296 0.1 K 11157 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11157 _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 . . 11157 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11157 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11157 _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.' . . 11157 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11157 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11157 _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.' . . 11157 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11157 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11157 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11157 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11157 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11157 _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.' . . 11157 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11157 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 11157 _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 11157 _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 . . . 11157 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 11157 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11157 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11157 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 11157 _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 . . . . . . . . . 11157 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11157 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11157 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 11157 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11157 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11157 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 . . 11157 1 2 $NMRPipe . . 11157 1 3 $NMRVIEW . . 11157 1 4 $Kujira . . 11157 1 5 $CYANA . . 11157 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 8 8 ASN HD21 H 1 7.062 0.030 . 2 . . . . 8 ASN HD21 . 11157 1 2 . 1 1 8 8 ASN HD22 H 1 7.564 0.030 . 2 . . . . 8 ASN HD22 . 11157 1 3 . 1 1 8 8 ASN ND2 N 15 113.043 0.300 . 1 . . . . 8 ASN ND2 . 11157 1 4 . 1 1 9 9 PRO HA H 1 4.364 0.030 . 1 . . . . 9 PRO HA . 11157 1 5 . 1 1 9 9 PRO HB2 H 1 1.794 0.030 . 2 . . . . 9 PRO HB2 . 11157 1 6 . 1 1 9 9 PRO HB3 H 1 2.221 0.030 . 2 . . . . 9 PRO HB3 . 11157 1 7 . 1 1 9 9 PRO HD2 H 1 3.739 0.030 . 1 . . . . 9 PRO HD2 . 11157 1 8 . 1 1 9 9 PRO HD3 H 1 3.739 0.030 . 1 . . . . 9 PRO HD3 . 11157 1 9 . 1 1 9 9 PRO HG2 H 1 1.976 0.030 . 2 . . . . 9 PRO HG2 . 11157 1 10 . 1 1 9 9 PRO HG3 H 1 1.769 0.030 . 2 . . . . 9 PRO HG3 . 11157 1 11 . 1 1 9 9 PRO C C 13 179.202 0.300 . 1 . . . . 9 PRO C . 11157 1 12 . 1 1 9 9 PRO CA C 13 66.041 0.300 . 1 . . . . 9 PRO CA . 11157 1 13 . 1 1 9 9 PRO CB C 13 34.255 0.300 . 1 . . . . 9 PRO CB . 11157 1 14 . 1 1 9 9 PRO CD C 13 53.035 0.300 . 1 . . . . 9 PRO CD . 11157 1 15 . 1 1 9 9 PRO CG C 13 29.224 0.300 . 1 . . . . 9 PRO CG . 11157 1 16 . 1 1 10 10 HIS H H 1 8.273 0.030 . 1 . . . . 10 HIS H . 11157 1 17 . 1 1 10 10 HIS HA H 1 4.577 0.030 . 1 . . . . 10 HIS HA . 11157 1 18 . 1 1 10 10 HIS HB2 H 1 3.114 0.030 . 2 . . . . 10 HIS HB2 . 11157 1 19 . 1 1 10 10 HIS HB3 H 1 3.030 0.030 . 2 . . . . 10 HIS HB3 . 11157 1 20 . 1 1 10 10 HIS HD2 H 1 6.999 0.030 . 1 . . . . 10 HIS HD2 . 11157 1 21 . 1 1 10 10 HIS HE1 H 1 7.873 0.030 . 1 . . . . 10 HIS HE1 . 11157 1 22 . 1 1 10 10 HIS C C 13 177.480 0.300 . 1 . . . . 10 HIS C . 11157 1 23 . 1 1 10 10 HIS CA C 13 58.606 0.300 . 1 . . . . 10 HIS CA . 11157 1 24 . 1 1 10 10 HIS CB C 13 32.438 0.300 . 1 . . . . 10 HIS CB . 11157 1 25 . 1 1 10 10 HIS CD2 C 13 122.149 0.300 . 1 . . . . 10 HIS CD2 . 11157 1 26 . 1 1 10 10 HIS CE1 C 13 140.660 0.300 . 1 . . . . 10 HIS CE1 . 11157 1 27 . 1 1 10 10 HIS N N 15 118.829 0.300 . 1 . . . . 10 HIS N . 11157 1 28 . 1 1 11 11 LEU H H 1 7.826 0.030 . 1 . . . . 11 LEU H . 11157 1 29 . 1 1 11 11 LEU HA H 1 4.280 0.030 . 1 . . . . 11 LEU HA . 11157 1 30 . 1 1 11 11 LEU HB2 H 1 1.595 0.030 . 1 . . . . 11 LEU HB2 . 11157 1 31 . 1 1 11 11 LEU HB3 H 1 1.595 0.030 . 1 . . . . 11 LEU HB3 . 11157 1 32 . 1 1 11 11 LEU HD11 H 1 0.909 0.030 . 1 . . . . 11 LEU HD1 . 11157 1 33 . 1 1 11 11 LEU HD12 H 1 0.909 0.030 . 1 . . . . 11 LEU HD1 . 11157 1 34 . 1 1 11 11 LEU HD13 H 1 0.909 0.030 . 1 . . . . 11 LEU HD1 . 11157 1 35 . 1 1 11 11 LEU HD21 H 1 0.833 0.030 . 1 . . . . 11 LEU HD2 . 11157 1 36 . 1 1 11 11 LEU HD22 H 1 0.833 0.030 . 1 . . . . 11 LEU HD2 . 11157 1 37 . 1 1 11 11 LEU HD23 H 1 0.833 0.030 . 1 . . . . 11 LEU HD2 . 11157 1 38 . 1 1 11 11 LEU HG H 1 1.425 0.030 . 1 . . . . 11 LEU HG . 11157 1 39 . 1 1 11 11 LEU C C 13 178.813 0.300 . 1 . . . . 11 LEU C . 11157 1 40 . 1 1 11 11 LEU CA C 13 57.258 0.300 . 1 . . . . 11 LEU CA . 11157 1 41 . 1 1 11 11 LEU CB C 13 44.630 0.300 . 1 . . . . 11 LEU CB . 11157 1 42 . 1 1 11 11 LEU CD1 C 13 27.203 0.300 . 2 . . . . 11 LEU CD1 . 11157 1 43 . 1 1 11 11 LEU CD2 C 13 25.732 0.300 . 2 . . . . 11 LEU CD2 . 11157 1 44 . 1 1 11 11 LEU CG C 13 29.120 0.300 . 1 . . . . 11 LEU CG . 11157 1 45 . 1 1 11 11 LEU N N 15 122.156 0.300 . 1 . . . . 11 LEU N . 11157 1 46 . 1 1 12 12 LEU H H 1 8.057 0.030 . 1 . . . . 12 LEU H . 11157 1 47 . 1 1 12 12 LEU HA H 1 4.463 0.030 . 1 . . . . 12 LEU HA . 11157 1 48 . 1 1 12 12 LEU HB2 H 1 1.653 0.030 . 2 . . . . 12 LEU HB2 . 11157 1 49 . 1 1 12 12 LEU HB3 H 1 1.497 0.030 . 2 . . . . 12 LEU HB3 . 11157 1 50 . 1 1 12 12 LEU HD11 H 1 0.914 0.030 . 1 . . . . 12 LEU HD1 . 11157 1 51 . 1 1 12 12 LEU HD12 H 1 0.914 0.030 . 1 . . . . 12 LEU HD1 . 11157 1 52 . 1 1 12 12 LEU HD13 H 1 0.914 0.030 . 1 . . . . 12 LEU HD1 . 11157 1 53 . 1 1 12 12 LEU HD21 H 1 0.849 0.030 . 1 . . . . 12 LEU HD2 . 11157 1 54 . 1 1 12 12 LEU HD22 H 1 0.849 0.030 . 1 . . . . 12 LEU HD2 . 11157 1 55 . 1 1 12 12 LEU HD23 H 1 0.849 0.030 . 1 . . . . 12 LEU HD2 . 11157 1 56 . 1 1 12 12 LEU HG H 1 1.598 0.030 . 1 . . . . 12 LEU HG . 11157 1 57 . 1 1 12 12 LEU C C 13 178.860 0.300 . 1 . . . . 12 LEU C . 11157 1 58 . 1 1 12 12 LEU CA C 13 57.090 0.300 . 1 . . . . 12 LEU CA . 11157 1 59 . 1 1 12 12 LEU CB C 13 44.602 0.300 . 1 . . . . 12 LEU CB . 11157 1 60 . 1 1 12 12 LEU CD1 C 13 27.369 0.300 . 2 . . . . 12 LEU CD1 . 11157 1 61 . 1 1 12 12 LEU CD2 C 13 25.732 0.300 . 2 . . . . 12 LEU CD2 . 11157 1 62 . 1 1 12 12 LEU CG C 13 29.318 0.300 . 1 . . . . 12 LEU CG . 11157 1 63 . 1 1 12 12 LEU N N 15 122.890 0.300 . 1 . . . . 12 LEU N . 11157 1 64 . 1 1 13 13 VAL H H 1 8.347 0.030 . 1 . . . . 13 VAL H . 11157 1 65 . 1 1 13 13 VAL HA H 1 4.156 0.030 . 1 . . . . 13 VAL HA . 11157 1 66 . 1 1 13 13 VAL HB H 1 2.142 0.030 . 1 . . . . 13 VAL HB . 11157 1 67 . 1 1 13 13 VAL HG11 H 1 0.951 0.030 . 1 . . . . 13 VAL HG1 . 11157 1 68 . 1 1 13 13 VAL HG12 H 1 0.951 0.030 . 1 . . . . 13 VAL HG1 . 11157 1 69 . 1 1 13 13 VAL HG13 H 1 0.951 0.030 . 1 . . . . 13 VAL HG1 . 11157 1 70 . 1 1 13 13 VAL HG21 H 1 0.908 0.030 . 1 . . . . 13 VAL HG2 . 11157 1 71 . 1 1 13 13 VAL HG22 H 1 0.908 0.030 . 1 . . . . 13 VAL HG2 . 11157 1 72 . 1 1 13 13 VAL HG23 H 1 0.908 0.030 . 1 . . . . 13 VAL HG2 . 11157 1 73 . 1 1 13 13 VAL C C 13 177.473 0.300 . 1 . . . . 13 VAL C . 11157 1 74 . 1 1 13 13 VAL CA C 13 64.993 0.300 . 1 . . . . 13 VAL CA . 11157 1 75 . 1 1 13 13 VAL CB C 13 35.466 0.300 . 1 . . . . 13 VAL CB . 11157 1 76 . 1 1 13 13 VAL CG1 C 13 23.270 0.300 . 2 . . . . 13 VAL CG1 . 11157 1 77 . 1 1 13 13 VAL CG2 C 13 23.611 0.300 . 2 . . . . 13 VAL CG2 . 11157 1 78 . 1 1 13 13 VAL N N 15 122.993 0.300 . 1 . . . . 13 VAL N . 11157 1 79 . 1 1 14 14 LYS H H 1 8.303 0.030 . 1 . . . . 14 LYS H . 11157 1 80 . 1 1 14 14 LYS HA H 1 5.220 0.030 . 1 . . . . 14 LYS HA . 11157 1 81 . 1 1 14 14 LYS HB2 H 1 1.453 0.030 . 2 . . . . 14 LYS HB2 . 11157 1 82 . 1 1 14 14 LYS HB3 H 1 1.287 0.030 . 2 . . . . 14 LYS HB3 . 11157 1 83 . 1 1 14 14 LYS HD2 H 1 1.483 0.030 . 1 . . . . 14 LYS HD2 . 11157 1 84 . 1 1 14 14 LYS HD3 H 1 1.483 0.030 . 1 . . . . 14 LYS HD3 . 11157 1 85 . 1 1 14 14 LYS HE2 H 1 2.789 0.030 . 1 . . . . 14 LYS HE2 . 11157 1 86 . 1 1 14 14 LYS HE3 H 1 2.789 0.030 . 1 . . . . 14 LYS HE3 . 11157 1 87 . 1 1 14 14 LYS HG2 H 1 1.082 0.030 . 2 . . . . 14 LYS HG2 . 11157 1 88 . 1 1 14 14 LYS HG3 H 1 1.413 0.030 . 2 . . . . 14 LYS HG3 . 11157 1 89 . 1 1 14 14 LYS C C 13 178.058 0.300 . 1 . . . . 14 LYS C . 11157 1 90 . 1 1 14 14 LYS CA C 13 57.322 0.300 . 1 . . . . 14 LYS CA . 11157 1 91 . 1 1 14 14 LYS CB C 13 37.556 0.300 . 1 . . . . 14 LYS CB . 11157 1 92 . 1 1 14 14 LYS CD C 13 31.461 0.300 . 1 . . . . 14 LYS CD . 11157 1 93 . 1 1 14 14 LYS CE C 13 44.205 0.300 . 1 . . . . 14 LYS CE . 11157 1 94 . 1 1 14 14 LYS CG C 13 27.944 0.300 . 1 . . . . 14 LYS CG . 11157 1 95 . 1 1 14 14 LYS N N 15 123.641 0.300 . 1 . . . . 14 LYS N . 11157 1 96 . 1 1 15 15 TYR H H 1 9.378 0.030 . 1 . . . . 15 TYR H . 11157 1 97 . 1 1 15 15 TYR HA H 1 4.901 0.030 . 1 . . . . 15 TYR HA . 11157 1 98 . 1 1 15 15 TYR HB2 H 1 3.005 0.030 . 2 . . . . 15 TYR HB2 . 11157 1 99 . 1 1 15 15 TYR HB3 H 1 2.890 0.030 . 2 . . . . 15 TYR HB3 . 11157 1 100 . 1 1 15 15 TYR HD1 H 1 6.849 0.030 . 1 . . . . 15 TYR HD1 . 11157 1 101 . 1 1 15 15 TYR HD2 H 1 6.849 0.030 . 1 . . . . 15 TYR HD2 . 11157 1 102 . 1 1 15 15 TYR HE1 H 1 6.522 0.030 . 1 . . . . 15 TYR HE1 . 11157 1 103 . 1 1 15 15 TYR HE2 H 1 6.522 0.030 . 1 . . . . 15 TYR HE2 . 11157 1 104 . 1 1 15 15 TYR C C 13 175.689 0.300 . 1 . . . . 15 TYR C . 11157 1 105 . 1 1 15 15 TYR CA C 13 57.470 0.300 . 1 . . . . 15 TYR CA . 11157 1 106 . 1 1 15 15 TYR CB C 13 43.310 0.300 . 1 . . . . 15 TYR CB . 11157 1 107 . 1 1 15 15 TYR CD1 C 13 136.097 0.300 . 1 . . . . 15 TYR CD1 . 11157 1 108 . 1 1 15 15 TYR CD2 C 13 136.097 0.300 . 1 . . . . 15 TYR CD2 . 11157 1 109 . 1 1 15 15 TYR CE1 C 13 119.495 0.300 . 1 . . . . 15 TYR CE1 . 11157 1 110 . 1 1 15 15 TYR CE2 C 13 119.495 0.300 . 1 . . . . 15 TYR CE2 . 11157 1 111 . 1 1 15 15 TYR N N 15 120.604 0.300 . 1 . . . . 15 TYR N . 11157 1 112 . 1 1 16 16 HIS H H 1 9.003 0.030 . 1 . . . . 16 HIS H . 11157 1 113 . 1 1 16 16 HIS HA H 1 5.018 0.030 . 1 . . . . 16 HIS HA . 11157 1 114 . 1 1 16 16 HIS HB2 H 1 2.754 0.030 . 2 . . . . 16 HIS HB2 . 11157 1 115 . 1 1 16 16 HIS HB3 H 1 3.258 0.030 . 2 . . . . 16 HIS HB3 . 11157 1 116 . 1 1 16 16 HIS HD2 H 1 6.686 0.030 . 1 . . . . 16 HIS HD2 . 11157 1 117 . 1 1 16 16 HIS HE1 H 1 7.219 0.030 . 1 . . . . 16 HIS HE1 . 11157 1 118 . 1 1 16 16 HIS C C 13 176.692 0.300 . 1 . . . . 16 HIS C . 11157 1 119 . 1 1 16 16 HIS CA C 13 58.411 0.300 . 1 . . . . 16 HIS CA . 11157 1 120 . 1 1 16 16 HIS CB C 13 33.087 0.300 . 1 . . . . 16 HIS CB . 11157 1 121 . 1 1 16 16 HIS CD2 C 13 122.589 0.300 . 1 . . . . 16 HIS CD2 . 11157 1 122 . 1 1 16 16 HIS CE1 C 13 142.246 0.300 . 1 . . . . 16 HIS CE1 . 11157 1 123 . 1 1 16 16 HIS N N 15 120.124 0.300 . 1 . . . . 16 HIS N . 11157 1 124 . 1 1 17 17 SER H H 1 6.739 0.030 . 1 . . . . 17 SER H . 11157 1 125 . 1 1 17 17 SER HA H 1 4.310 0.030 . 1 . . . . 17 SER HA . 11157 1 126 . 1 1 17 17 SER HB2 H 1 3.524 0.030 . 2 . . . . 17 SER HB2 . 11157 1 127 . 1 1 17 17 SER HB3 H 1 4.134 0.030 . 2 . . . . 17 SER HB3 . 11157 1 128 . 1 1 17 17 SER C C 13 176.273 0.300 . 1 . . . . 17 SER C . 11157 1 129 . 1 1 17 17 SER CA C 13 60.511 0.300 . 1 . . . . 17 SER CA . 11157 1 130 . 1 1 17 17 SER CB C 13 65.584 0.300 . 1 . . . . 17 SER CB . 11157 1 131 . 1 1 17 17 SER N N 15 117.621 0.300 . 1 . . . . 17 SER N . 11157 1 132 . 1 1 18 18 GLY H H 1 8.624 0.030 . 1 . . . . 18 GLY H . 11157 1 133 . 1 1 18 18 GLY HA2 H 1 3.448 0.030 . 2 . . . . 18 GLY HA2 . 11157 1 134 . 1 1 18 18 GLY HA3 H 1 4.618 0.030 . 2 . . . . 18 GLY HA3 . 11157 1 135 . 1 1 18 18 GLY C C 13 174.456 0.300 . 1 . . . . 18 GLY C . 11157 1 136 . 1 1 18 18 GLY CA C 13 45.423 0.300 . 1 . . . . 18 GLY CA . 11157 1 137 . 1 1 18 18 GLY N N 15 111.273 0.300 . 1 . . . . 18 GLY N . 11157 1 138 . 1 1 19 19 PHE H H 1 7.995 0.030 . 1 . . . . 19 PHE H . 11157 1 139 . 1 1 19 19 PHE HA H 1 4.964 0.030 . 1 . . . . 19 PHE HA . 11157 1 140 . 1 1 19 19 PHE HB2 H 1 2.823 0.030 . 2 . . . . 19 PHE HB2 . 11157 1 141 . 1 1 19 19 PHE HB3 H 1 3.298 0.030 . 2 . . . . 19 PHE HB3 . 11157 1 142 . 1 1 19 19 PHE HD1 H 1 7.410 0.030 . 1 . . . . 19 PHE HD1 . 11157 1 143 . 1 1 19 19 PHE HD2 H 1 7.410 0.030 . 1 . . . . 19 PHE HD2 . 11157 1 144 . 1 1 19 19 PHE HE1 H 1 7.466 0.030 . 1 . . . . 19 PHE HE1 . 11157 1 145 . 1 1 19 19 PHE HE2 H 1 7.466 0.030 . 1 . . . . 19 PHE HE2 . 11157 1 146 . 1 1 19 19 PHE HZ H 1 7.399 0.030 . 1 . . . . 19 PHE HZ . 11157 1 147 . 1 1 19 19 PHE C C 13 176.361 0.300 . 1 . . . . 19 PHE C . 11157 1 148 . 1 1 19 19 PHE CA C 13 58.841 0.300 . 1 . . . . 19 PHE CA . 11157 1 149 . 1 1 19 19 PHE CB C 13 43.013 0.300 . 1 . . . . 19 PHE CB . 11157 1 150 . 1 1 19 19 PHE CD1 C 13 133.558 0.300 . 1 . . . . 19 PHE CD1 . 11157 1 151 . 1 1 19 19 PHE CD2 C 13 133.558 0.300 . 1 . . . . 19 PHE CD2 . 11157 1 152 . 1 1 19 19 PHE CE1 C 13 133.828 0.300 . 1 . . . . 19 PHE CE1 . 11157 1 153 . 1 1 19 19 PHE CE2 C 13 133.828 0.300 . 1 . . . . 19 PHE CE2 . 11157 1 154 . 1 1 19 19 PHE CZ C 13 132.280 0.300 . 1 . . . . 19 PHE CZ . 11157 1 155 . 1 1 19 19 PHE N N 15 117.101 0.300 . 1 . . . . 19 PHE N . 11157 1 156 . 1 1 20 20 PHE H H 1 8.848 0.030 . 1 . . . . 20 PHE H . 11157 1 157 . 1 1 20 20 PHE HA H 1 4.377 0.030 . 1 . . . . 20 PHE HA . 11157 1 158 . 1 1 20 20 PHE HB2 H 1 2.042 0.030 . 2 . . . . 20 PHE HB2 . 11157 1 159 . 1 1 20 20 PHE HB3 H 1 2.900 0.030 . 2 . . . . 20 PHE HB3 . 11157 1 160 . 1 1 20 20 PHE HD1 H 1 5.818 0.030 . 1 . . . . 20 PHE HD1 . 11157 1 161 . 1 1 20 20 PHE HD2 H 1 5.818 0.030 . 1 . . . . 20 PHE HD2 . 11157 1 162 . 1 1 20 20 PHE HE1 H 1 6.786 0.030 . 1 . . . . 20 PHE HE1 . 11157 1 163 . 1 1 20 20 PHE HE2 H 1 6.786 0.030 . 1 . . . . 20 PHE HE2 . 11157 1 164 . 1 1 20 20 PHE C C 13 177.123 0.300 . 1 . . . . 20 PHE C . 11157 1 165 . 1 1 20 20 PHE CA C 13 60.186 0.300 . 1 . . . . 20 PHE CA . 11157 1 166 . 1 1 20 20 PHE CB C 13 41.366 0.300 . 1 . . . . 20 PHE CB . 11157 1 167 . 1 1 20 20 PHE CD1 C 13 133.815 0.300 . 1 . . . . 20 PHE CD1 . 11157 1 168 . 1 1 20 20 PHE CD2 C 13 133.815 0.300 . 1 . . . . 20 PHE CD2 . 11157 1 169 . 1 1 20 20 PHE CE1 C 13 132.563 0.300 . 1 . . . . 20 PHE CE1 . 11157 1 170 . 1 1 20 20 PHE CE2 C 13 132.563 0.300 . 1 . . . . 20 PHE CE2 . 11157 1 171 . 1 1 20 20 PHE N N 15 123.995 0.300 . 1 . . . . 20 PHE N . 11157 1 172 . 1 1 21 21 VAL H H 1 8.386 0.030 . 1 . . . . 21 VAL H . 11157 1 173 . 1 1 21 21 VAL HA H 1 4.165 0.030 . 1 . . . . 21 VAL HA . 11157 1 174 . 1 1 21 21 VAL HB H 1 1.799 0.030 . 1 . . . . 21 VAL HB . 11157 1 175 . 1 1 21 21 VAL HG11 H 1 0.896 0.030 . 1 . . . . 21 VAL HG1 . 11157 1 176 . 1 1 21 21 VAL HG12 H 1 0.896 0.030 . 1 . . . . 21 VAL HG1 . 11157 1 177 . 1 1 21 21 VAL HG13 H 1 0.896 0.030 . 1 . . . . 21 VAL HG1 . 11157 1 178 . 1 1 21 21 VAL HG21 H 1 0.937 0.030 . 1 . . . . 21 VAL HG2 . 11157 1 179 . 1 1 21 21 VAL HG22 H 1 0.937 0.030 . 1 . . . . 21 VAL HG2 . 11157 1 180 . 1 1 21 21 VAL HG23 H 1 0.937 0.030 . 1 . . . . 21 VAL HG2 . 11157 1 181 . 1 1 21 21 VAL C C 13 176.529 0.300 . 1 . . . . 21 VAL C . 11157 1 182 . 1 1 21 21 VAL CA C 13 63.573 0.300 . 1 . . . . 21 VAL CA . 11157 1 183 . 1 1 21 21 VAL CB C 13 37.973 0.300 . 1 . . . . 21 VAL CB . 11157 1 184 . 1 1 21 21 VAL CG1 C 13 23.041 0.300 . 2 . . . . 21 VAL CG1 . 11157 1 185 . 1 1 21 21 VAL CG2 C 13 23.778 0.300 . 2 . . . . 21 VAL CG2 . 11157 1 186 . 1 1 21 21 VAL N N 15 129.925 0.300 . 1 . . . . 21 VAL N . 11157 1 187 . 1 1 22 22 ASP H H 1 9.038 0.030 . 1 . . . . 22 ASP H . 11157 1 188 . 1 1 22 22 ASP HA H 1 4.145 0.030 . 1 . . . . 22 ASP HA . 11157 1 189 . 1 1 22 22 ASP HB2 H 1 2.491 0.030 . 2 . . . . 22 ASP HB2 . 11157 1 190 . 1 1 22 22 ASP HB3 H 1 2.850 0.030 . 2 . . . . 22 ASP HB3 . 11157 1 191 . 1 1 22 22 ASP C C 13 178.519 0.300 . 1 . . . . 22 ASP C . 11157 1 192 . 1 1 22 22 ASP CA C 13 57.380 0.300 . 1 . . . . 22 ASP CA . 11157 1 193 . 1 1 22 22 ASP CB C 13 41.707 0.300 . 1 . . . . 22 ASP CB . 11157 1 194 . 1 1 22 22 ASP N N 15 126.341 0.300 . 1 . . . . 22 ASP N . 11157 1 195 . 1 1 23 23 GLY H H 1 7.816 0.030 . 1 . . . . 23 GLY H . 11157 1 196 . 1 1 23 23 GLY HA2 H 1 3.308 0.030 . 2 . . . . 23 GLY HA2 . 11157 1 197 . 1 1 23 23 GLY HA3 H 1 3.899 0.030 . 2 . . . . 23 GLY HA3 . 11157 1 198 . 1 1 23 23 GLY C C 13 175.387 0.300 . 1 . . . . 23 GLY C . 11157 1 199 . 1 1 23 23 GLY CA C 13 48.120 0.300 . 1 . . . . 23 GLY CA . 11157 1 200 . 1 1 23 23 GLY N N 15 101.751 0.300 . 1 . . . . 23 GLY N . 11157 1 201 . 1 1 24 24 LYS H H 1 6.669 0.030 . 1 . . . . 24 LYS H . 11157 1 202 . 1 1 24 24 LYS HA H 1 4.464 0.030 . 1 . . . . 24 LYS HA . 11157 1 203 . 1 1 24 24 LYS HB2 H 1 1.185 0.030 . 2 . . . . 24 LYS HB2 . 11157 1 204 . 1 1 24 24 LYS HB3 H 1 1.408 0.030 . 2 . . . . 24 LYS HB3 . 11157 1 205 . 1 1 24 24 LYS HD2 H 1 1.483 0.030 . 1 . . . . 24 LYS HD2 . 11157 1 206 . 1 1 24 24 LYS HD3 H 1 1.483 0.030 . 1 . . . . 24 LYS HD3 . 11157 1 207 . 1 1 24 24 LYS HE2 H 1 2.918 0.030 . 1 . . . . 24 LYS HE2 . 11157 1 208 . 1 1 24 24 LYS HE3 H 1 2.918 0.030 . 1 . . . . 24 LYS HE3 . 11157 1 209 . 1 1 24 24 LYS HG2 H 1 1.061 0.030 . 2 . . . . 24 LYS HG2 . 11157 1 210 . 1 1 24 24 LYS HG3 H 1 1.013 0.030 . 2 . . . . 24 LYS HG3 . 11157 1 211 . 1 1 24 24 LYS C C 13 176.871 0.300 . 1 . . . . 24 LYS C . 11157 1 212 . 1 1 24 24 LYS CA C 13 57.007 0.300 . 1 . . . . 24 LYS CA . 11157 1 213 . 1 1 24 24 LYS CB C 13 38.248 0.300 . 1 . . . . 24 LYS CB . 11157 1 214 . 1 1 24 24 LYS CD C 13 31.684 0.300 . 1 . . . . 24 LYS CD . 11157 1 215 . 1 1 24 24 LYS CE C 13 44.523 0.300 . 1 . . . . 24 LYS CE . 11157 1 216 . 1 1 24 24 LYS CG C 13 26.084 0.300 . 1 . . . . 24 LYS CG . 11157 1 217 . 1 1 24 24 LYS N N 15 115.727 0.300 . 1 . . . . 24 LYS N . 11157 1 218 . 1 1 25 25 PHE H H 1 8.212 0.030 . 1 . . . . 25 PHE H . 11157 1 219 . 1 1 25 25 PHE HA H 1 4.746 0.030 . 1 . . . . 25 PHE HA . 11157 1 220 . 1 1 25 25 PHE HB2 H 1 2.908 0.030 . 2 . . . . 25 PHE HB2 . 11157 1 221 . 1 1 25 25 PHE HB3 H 1 4.173 0.030 . 2 . . . . 25 PHE HB3 . 11157 1 222 . 1 1 25 25 PHE HD1 H 1 7.024 0.030 . 1 . . . . 25 PHE HD1 . 11157 1 223 . 1 1 25 25 PHE HD2 H 1 7.024 0.030 . 1 . . . . 25 PHE HD2 . 11157 1 224 . 1 1 25 25 PHE HE1 H 1 7.385 0.030 . 1 . . . . 25 PHE HE1 . 11157 1 225 . 1 1 25 25 PHE HE2 H 1 7.385 0.030 . 1 . . . . 25 PHE HE2 . 11157 1 226 . 1 1 25 25 PHE HZ H 1 7.175 0.030 . 1 . . . . 25 PHE HZ . 11157 1 227 . 1 1 25 25 PHE C C 13 182.009 0.300 . 1 . . . . 25 PHE C . 11157 1 228 . 1 1 25 25 PHE CA C 13 62.410 0.300 . 1 . . . . 25 PHE CA . 11157 1 229 . 1 1 25 25 PHE CB C 13 44.630 0.300 . 1 . . . . 25 PHE CB . 11157 1 230 . 1 1 25 25 PHE CD1 C 13 133.717 0.300 . 1 . . . . 25 PHE CD1 . 11157 1 231 . 1 1 25 25 PHE CD2 C 13 133.717 0.300 . 1 . . . . 25 PHE CD2 . 11157 1 232 . 1 1 25 25 PHE CE1 C 13 134.411 0.300 . 1 . . . . 25 PHE CE1 . 11157 1 233 . 1 1 25 25 PHE CE2 C 13 134.411 0.300 . 1 . . . . 25 PHE CE2 . 11157 1 234 . 1 1 25 25 PHE CZ C 13 132.366 0.300 . 1 . . . . 25 PHE CZ . 11157 1 235 . 1 1 25 25 PHE N N 15 118.937 0.300 . 1 . . . . 25 PHE N . 11157 1 236 . 1 1 26 26 LEU H H 1 9.193 0.030 . 1 . . . . 26 LEU H . 11157 1 237 . 1 1 26 26 LEU HA H 1 4.183 0.030 . 1 . . . . 26 LEU HA . 11157 1 238 . 1 1 26 26 LEU HB2 H 1 1.669 0.030 . 2 . . . . 26 LEU HB2 . 11157 1 239 . 1 1 26 26 LEU HB3 H 1 1.929 0.030 . 2 . . . . 26 LEU HB3 . 11157 1 240 . 1 1 26 26 LEU HD11 H 1 1.042 0.030 . 1 . . . . 26 LEU HD1 . 11157 1 241 . 1 1 26 26 LEU HD12 H 1 1.042 0.030 . 1 . . . . 26 LEU HD1 . 11157 1 242 . 1 1 26 26 LEU HD13 H 1 1.042 0.030 . 1 . . . . 26 LEU HD1 . 11157 1 243 . 1 1 26 26 LEU HD21 H 1 0.891 0.030 . 1 . . . . 26 LEU HD2 . 11157 1 244 . 1 1 26 26 LEU HD22 H 1 0.891 0.030 . 1 . . . . 26 LEU HD2 . 11157 1 245 . 1 1 26 26 LEU HD23 H 1 0.891 0.030 . 1 . . . . 26 LEU HD2 . 11157 1 246 . 1 1 26 26 LEU HG H 1 1.959 0.030 . 1 . . . . 26 LEU HG . 11157 1 247 . 1 1 26 26 LEU C C 13 179.744 0.300 . 1 . . . . 26 LEU C . 11157 1 248 . 1 1 26 26 LEU CA C 13 59.428 0.300 . 1 . . . . 26 LEU CA . 11157 1 249 . 1 1 26 26 LEU CB C 13 44.759 0.300 . 1 . . . . 26 LEU CB . 11157 1 250 . 1 1 26 26 LEU CD1 C 13 28.292 0.300 . 2 . . . . 26 LEU CD1 . 11157 1 251 . 1 1 26 26 LEU CD2 C 13 25.002 0.300 . 2 . . . . 26 LEU CD2 . 11157 1 252 . 1 1 26 26 LEU CG C 13 29.397 0.300 . 1 . . . . 26 LEU CG . 11157 1 253 . 1 1 26 26 LEU N N 15 122.951 0.300 . 1 . . . . 26 LEU N . 11157 1 254 . 1 1 27 27 CYS H H 1 8.603 0.030 . 1 . . . . 27 CYS H . 11157 1 255 . 1 1 27 27 CYS HA H 1 4.360 0.030 . 1 . . . . 27 CYS HA . 11157 1 256 . 1 1 27 27 CYS HB2 H 1 3.062 0.030 . 2 . . . . 27 CYS HB2 . 11157 1 257 . 1 1 27 27 CYS HB3 H 1 2.939 0.030 . 2 . . . . 27 CYS HB3 . 11157 1 258 . 1 1 27 27 CYS C C 13 179.646 0.300 . 1 . . . . 27 CYS C . 11157 1 259 . 1 1 27 27 CYS CA C 13 57.484 0.300 . 1 . . . . 27 CYS CA . 11157 1 260 . 1 1 27 27 CYS CB C 13 32.633 0.300 . 1 . . . . 27 CYS CB . 11157 1 261 . 1 1 27 27 CYS N N 15 116.678 0.300 . 1 . . . . 27 CYS N . 11157 1 262 . 1 1 28 28 CYS H H 1 7.431 0.030 . 1 . . . . 28 CYS H . 11157 1 263 . 1 1 28 28 CYS HA H 1 5.032 0.030 . 1 . . . . 28 CYS HA . 11157 1 264 . 1 1 28 28 CYS HB2 H 1 2.736 0.030 . 2 . . . . 28 CYS HB2 . 11157 1 265 . 1 1 28 28 CYS HB3 H 1 3.357 0.030 . 2 . . . . 28 CYS HB3 . 11157 1 266 . 1 1 28 28 CYS C C 13 178.312 0.300 . 1 . . . . 28 CYS C . 11157 1 267 . 1 1 28 28 CYS CA C 13 59.158 0.300 . 1 . . . . 28 CYS CA . 11157 1 268 . 1 1 28 28 CYS CB C 13 34.665 0.300 . 1 . . . . 28 CYS CB . 11157 1 269 . 1 1 28 28 CYS N N 15 114.031 0.300 . 1 . . . . 28 CYS N . 11157 1 270 . 1 1 29 29 GLN H H 1 8.256 0.030 . 1 . . . . 29 GLN H . 11157 1 271 . 1 1 29 29 GLN HA H 1 4.087 0.030 . 1 . . . . 29 GLN HA . 11157 1 272 . 1 1 29 29 GLN HB2 H 1 2.458 0.030 . 2 . . . . 29 GLN HB2 . 11157 1 273 . 1 1 29 29 GLN HB3 H 1 2.393 0.030 . 2 . . . . 29 GLN HB3 . 11157 1 274 . 1 1 29 29 GLN HE21 H 1 7.366 0.030 . 2 . . . . 29 GLN HE21 . 11157 1 275 . 1 1 29 29 GLN HE22 H 1 6.663 0.030 . 2 . . . . 29 GLN HE22 . 11157 1 276 . 1 1 29 29 GLN HG2 H 1 2.338 0.030 . 2 . . . . 29 GLN HG2 . 11157 1 277 . 1 1 29 29 GLN HG3 H 1 2.254 0.030 . 2 . . . . 29 GLN HG3 . 11157 1 278 . 1 1 29 29 GLN C C 13 177.004 0.300 . 1 . . . . 29 GLN C . 11157 1 279 . 1 1 29 29 GLN CA C 13 60.191 0.300 . 1 . . . . 29 GLN CA . 11157 1 280 . 1 1 29 29 GLN CB C 13 27.690 0.300 . 1 . . . . 29 GLN CB . 11157 1 281 . 1 1 29 29 GLN CG C 13 36.342 0.300 . 1 . . . . 29 GLN CG . 11157 1 282 . 1 1 29 29 GLN N N 15 116.639 0.300 . 1 . . . . 29 GLN N . 11157 1 283 . 1 1 29 29 GLN NE2 N 15 113.333 0.300 . 1 . . . . 29 GLN NE2 . 11157 1 284 . 1 1 30 30 GLN H H 1 7.447 0.030 . 1 . . . . 30 GLN H . 11157 1 285 . 1 1 30 30 GLN HA H 1 4.600 0.030 . 1 . . . . 30 GLN HA . 11157 1 286 . 1 1 30 30 GLN HB2 H 1 2.415 0.030 . 2 . . . . 30 GLN HB2 . 11157 1 287 . 1 1 30 30 GLN HB3 H 1 2.225 0.030 . 2 . . . . 30 GLN HB3 . 11157 1 288 . 1 1 30 30 GLN HE21 H 1 7.202 0.030 . 2 . . . . 30 GLN HE21 . 11157 1 289 . 1 1 30 30 GLN HE22 H 1 8.375 0.030 . 2 . . . . 30 GLN HE22 . 11157 1 290 . 1 1 30 30 GLN HG2 H 1 2.479 0.030 . 2 . . . . 30 GLN HG2 . 11157 1 291 . 1 1 30 30 GLN HG3 H 1 2.809 0.030 . 2 . . . . 30 GLN HG3 . 11157 1 292 . 1 1 30 30 GLN C C 13 179.135 0.300 . 1 . . . . 30 GLN C . 11157 1 293 . 1 1 30 30 GLN CA C 13 60.544 0.300 . 1 . . . . 30 GLN CA . 11157 1 294 . 1 1 30 30 GLN CB C 13 33.183 0.300 . 1 . . . . 30 GLN CB . 11157 1 295 . 1 1 30 30 GLN CG C 13 38.561 0.300 . 1 . . . . 30 GLN CG . 11157 1 296 . 1 1 30 30 GLN N N 15 117.834 0.300 . 1 . . . . 30 GLN N . 11157 1 297 . 1 1 30 30 GLN NE2 N 15 115.028 0.300 . 1 . . . . 30 GLN NE2 . 11157 1 298 . 1 1 31 31 SER H H 1 8.745 0.030 . 1 . . . . 31 SER H . 11157 1 299 . 1 1 31 31 SER HA H 1 5.114 0.030 . 1 . . . . 31 SER HA . 11157 1 300 . 1 1 31 31 SER HB2 H 1 3.909 0.030 . 2 . . . . 31 SER HB2 . 11157 1 301 . 1 1 31 31 SER HB3 H 1 4.282 0.030 . 2 . . . . 31 SER HB3 . 11157 1 302 . 1 1 31 31 SER C C 13 175.481 0.300 . 1 . . . . 31 SER C . 11157 1 303 . 1 1 31 31 SER CA C 13 60.773 0.300 . 1 . . . . 31 SER CA . 11157 1 304 . 1 1 31 31 SER CB C 13 66.657 0.300 . 1 . . . . 31 SER CB . 11157 1 305 . 1 1 31 31 SER N N 15 116.693 0.300 . 1 . . . . 31 SER N . 11157 1 306 . 1 1 32 32 CYS H H 1 7.509 0.030 . 1 . . . . 32 CYS H . 11157 1 307 . 1 1 32 32 CYS HA H 1 4.681 0.030 . 1 . . . . 32 CYS HA . 11157 1 308 . 1 1 32 32 CYS HB2 H 1 3.094 0.030 . 2 . . . . 32 CYS HB2 . 11157 1 309 . 1 1 32 32 CYS HB3 H 1 2.867 0.030 . 2 . . . . 32 CYS HB3 . 11157 1 310 . 1 1 32 32 CYS C C 13 177.768 0.300 . 1 . . . . 32 CYS C . 11157 1 311 . 1 1 32 32 CYS CA C 13 60.097 0.300 . 1 . . . . 32 CYS CA . 11157 1 312 . 1 1 32 32 CYS CB C 13 31.290 0.300 . 1 . . . . 32 CYS CB . 11157 1 313 . 1 1 32 32 CYS N N 15 120.240 0.300 . 1 . . . . 32 CYS N . 11157 1 314 . 1 1 33 33 LYS H H 1 8.732 0.030 . 1 . . . . 33 LYS H . 11157 1 315 . 1 1 33 33 LYS HA H 1 3.448 0.030 . 1 . . . . 33 LYS HA . 11157 1 316 . 1 1 33 33 LYS HB2 H 1 1.140 0.030 . 2 . . . . 33 LYS HB2 . 11157 1 317 . 1 1 33 33 LYS HB3 H 1 1.337 0.030 . 2 . . . . 33 LYS HB3 . 11157 1 318 . 1 1 33 33 LYS HD2 H 1 1.260 0.030 . 2 . . . . 33 LYS HD2 . 11157 1 319 . 1 1 33 33 LYS HD3 H 1 1.230 0.030 . 2 . . . . 33 LYS HD3 . 11157 1 320 . 1 1 33 33 LYS HE2 H 1 2.652 0.030 . 1 . . . . 33 LYS HE2 . 11157 1 321 . 1 1 33 33 LYS HE3 H 1 2.652 0.030 . 1 . . . . 33 LYS HE3 . 11157 1 322 . 1 1 33 33 LYS HG2 H 1 0.665 0.030 . 1 . . . . 33 LYS HG2 . 11157 1 323 . 1 1 33 33 LYS HG3 H 1 0.665 0.030 . 1 . . . . 33 LYS HG3 . 11157 1 324 . 1 1 33 33 LYS C C 13 178.370 0.300 . 1 . . . . 33 LYS C . 11157 1 325 . 1 1 33 33 LYS CA C 13 61.348 0.300 . 1 . . . . 33 LYS CA . 11157 1 326 . 1 1 33 33 LYS CB C 13 34.127 0.300 . 1 . . . . 33 LYS CB . 11157 1 327 . 1 1 33 33 LYS CD C 13 31.503 0.300 . 1 . . . . 33 LYS CD . 11157 1 328 . 1 1 33 33 LYS CE C 13 44.232 0.300 . 1 . . . . 33 LYS CE . 11157 1 329 . 1 1 33 33 LYS CG C 13 27.323 0.300 . 1 . . . . 33 LYS CG . 11157 1 330 . 1 1 33 33 LYS N N 15 129.550 0.300 . 1 . . . . 33 LYS N . 11157 1 331 . 1 1 34 34 ALA H H 1 8.230 0.030 . 1 . . . . 34 ALA H . 11157 1 332 . 1 1 34 34 ALA HA H 1 4.530 0.030 . 1 . . . . 34 ALA HA . 11157 1 333 . 1 1 34 34 ALA HB1 H 1 1.402 0.030 . 1 . . . . 34 ALA HB . 11157 1 334 . 1 1 34 34 ALA HB2 H 1 1.402 0.030 . 1 . . . . 34 ALA HB . 11157 1 335 . 1 1 34 34 ALA HB3 H 1 1.402 0.030 . 1 . . . . 34 ALA HB . 11157 1 336 . 1 1 34 34 ALA CA C 13 53.480 0.300 . 1 . . . . 34 ALA CA . 11157 1 337 . 1 1 34 34 ALA CB C 13 21.030 0.300 . 1 . . . . 34 ALA CB . 11157 1 338 . 1 1 35 35 ALA H H 1 7.840 0.030 . 1 . . . . 35 ALA H . 11157 1 339 . 1 1 35 35 ALA HA H 1 4.492 0.030 . 1 . . . . 35 ALA HA . 11157 1 340 . 1 1 35 35 ALA HB1 H 1 1.583 0.030 . 1 . . . . 35 ALA HB . 11157 1 341 . 1 1 35 35 ALA HB2 H 1 1.583 0.030 . 1 . . . . 35 ALA HB . 11157 1 342 . 1 1 35 35 ALA HB3 H 1 1.583 0.030 . 1 . . . . 35 ALA HB . 11157 1 343 . 1 1 35 35 ALA CA C 13 53.417 0.300 . 1 . . . . 35 ALA CA . 11157 1 344 . 1 1 35 35 ALA CB C 13 20.011 0.300 . 1 . . . . 35 ALA CB . 11157 1 345 . 1 1 35 35 ALA N N 15 124.638 0.300 . 1 . . . . 35 ALA N . 11157 1 346 . 1 1 36 36 PRO HA H 1 4.317 0.030 . 1 . . . . 36 PRO HA . 11157 1 347 . 1 1 36 36 PRO HB2 H 1 1.894 0.030 . 2 . . . . 36 PRO HB2 . 11157 1 348 . 1 1 36 36 PRO HB3 H 1 2.318 0.030 . 2 . . . . 36 PRO HB3 . 11157 1 349 . 1 1 36 36 PRO HD2 H 1 3.919 0.030 . 2 . . . . 36 PRO HD2 . 11157 1 350 . 1 1 36 36 PRO HD3 H 1 3.716 0.030 . 2 . . . . 36 PRO HD3 . 11157 1 351 . 1 1 36 36 PRO HG2 H 1 2.115 0.030 . 2 . . . . 36 PRO HG2 . 11157 1 352 . 1 1 36 36 PRO HG3 H 1 2.063 0.030 . 2 . . . . 36 PRO HG3 . 11157 1 353 . 1 1 36 36 PRO C C 13 178.296 0.300 . 1 . . . . 36 PRO C . 11157 1 354 . 1 1 36 36 PRO CA C 13 65.337 0.300 . 1 . . . . 36 PRO CA . 11157 1 355 . 1 1 36 36 PRO CB C 13 34.475 0.300 . 1 . . . . 36 PRO CB . 11157 1 356 . 1 1 36 36 PRO CD C 13 53.041 0.300 . 1 . . . . 36 PRO CD . 11157 1 357 . 1 1 36 36 PRO CG C 13 29.909 0.300 . 1 . . . . 36 PRO CG . 11157 1 358 . 1 1 37 37 GLY H H 1 8.374 0.030 . 1 . . . . 37 GLY H . 11157 1 359 . 1 1 37 37 GLY HA2 H 1 2.547 0.030 . 2 . . . . 37 GLY HA2 . 11157 1 360 . 1 1 37 37 GLY HA3 H 1 1.419 0.030 . 2 . . . . 37 GLY HA3 . 11157 1 361 . 1 1 37 37 GLY C C 13 173.013 0.300 . 1 . . . . 37 GLY C . 11157 1 362 . 1 1 37 37 GLY CA C 13 47.427 0.300 . 1 . . . . 37 GLY CA . 11157 1 363 . 1 1 37 37 GLY N N 15 106.207 0.300 . 1 . . . . 37 GLY N . 11157 1 364 . 1 1 38 38 CYS H H 1 6.342 0.030 . 1 . . . . 38 CYS H . 11157 1 365 . 1 1 38 38 CYS HA H 1 4.574 0.030 . 1 . . . . 38 CYS HA . 11157 1 366 . 1 1 38 38 CYS HB2 H 1 2.612 0.030 . 2 . . . . 38 CYS HB2 . 11157 1 367 . 1 1 38 38 CYS HB3 H 1 3.103 0.030 . 2 . . . . 38 CYS HB3 . 11157 1 368 . 1 1 38 38 CYS C C 13 178.040 0.300 . 1 . . . . 38 CYS C . 11157 1 369 . 1 1 38 38 CYS CA C 13 58.742 0.300 . 1 . . . . 38 CYS CA . 11157 1 370 . 1 1 38 38 CYS CB C 13 35.337 0.300 . 1 . . . . 38 CYS CB . 11157 1 371 . 1 1 38 38 CYS N N 15 118.017 0.300 . 1 . . . . 38 CYS N . 11157 1 372 . 1 1 39 39 THR H H 1 8.610 0.030 . 1 . . . . 39 THR H . 11157 1 373 . 1 1 39 39 THR HA H 1 4.384 0.030 . 1 . . . . 39 THR HA . 11157 1 374 . 1 1 39 39 THR HB H 1 3.183 0.030 . 1 . . . . 39 THR HB . 11157 1 375 . 1 1 39 39 THR HG21 H 1 1.106 0.030 . 1 . . . . 39 THR HG2 . 11157 1 376 . 1 1 39 39 THR HG22 H 1 1.106 0.030 . 1 . . . . 39 THR HG2 . 11157 1 377 . 1 1 39 39 THR HG23 H 1 1.106 0.030 . 1 . . . . 39 THR HG2 . 11157 1 378 . 1 1 39 39 THR C C 13 174.495 0.300 . 1 . . . . 39 THR C . 11157 1 379 . 1 1 39 39 THR CA C 13 64.333 0.300 . 1 . . . . 39 THR CA . 11157 1 380 . 1 1 39 39 THR CB C 13 72.794 0.300 . 1 . . . . 39 THR CB . 11157 1 381 . 1 1 39 39 THR CG2 C 13 23.170 0.300 . 1 . . . . 39 THR CG2 . 11157 1 382 . 1 1 39 39 THR N N 15 122.374 0.300 . 1 . . . . 39 THR N . 11157 1 383 . 1 1 40 40 LEU H H 1 8.689 0.030 . 1 . . . . 40 LEU H . 11157 1 384 . 1 1 40 40 LEU HA H 1 4.577 0.030 . 1 . . . . 40 LEU HA . 11157 1 385 . 1 1 40 40 LEU HB2 H 1 1.641 0.030 . 2 . . . . 40 LEU HB2 . 11157 1 386 . 1 1 40 40 LEU HB3 H 1 1.586 0.030 . 2 . . . . 40 LEU HB3 . 11157 1 387 . 1 1 40 40 LEU HD11 H 1 0.953 0.030 . 1 . . . . 40 LEU HD1 . 11157 1 388 . 1 1 40 40 LEU HD12 H 1 0.953 0.030 . 1 . . . . 40 LEU HD1 . 11157 1 389 . 1 1 40 40 LEU HD13 H 1 0.953 0.030 . 1 . . . . 40 LEU HD1 . 11157 1 390 . 1 1 40 40 LEU HD21 H 1 0.884 0.030 . 1 . . . . 40 LEU HD2 . 11157 1 391 . 1 1 40 40 LEU HD22 H 1 0.884 0.030 . 1 . . . . 40 LEU HD2 . 11157 1 392 . 1 1 40 40 LEU HD23 H 1 0.884 0.030 . 1 . . . . 40 LEU HD2 . 11157 1 393 . 1 1 40 40 LEU HG H 1 1.603 0.030 . 1 . . . . 40 LEU HG . 11157 1 394 . 1 1 40 40 LEU C C 13 179.185 0.300 . 1 . . . . 40 LEU C . 11157 1 395 . 1 1 40 40 LEU CA C 13 57.566 0.300 . 1 . . . . 40 LEU CA . 11157 1 396 . 1 1 40 40 LEU CB C 13 45.295 0.300 . 1 . . . . 40 LEU CB . 11157 1 397 . 1 1 40 40 LEU CD1 C 13 27.193 0.300 . 2 . . . . 40 LEU CD1 . 11157 1 398 . 1 1 40 40 LEU CD2 C 13 27.061 0.300 . 2 . . . . 40 LEU CD2 . 11157 1 399 . 1 1 40 40 LEU CG C 13 29.405 0.300 . 1 . . . . 40 LEU CG . 11157 1 400 . 1 1 40 40 LEU N N 15 127.411 0.300 . 1 . . . . 40 LEU N . 11157 1 401 . 1 1 41 41 TRP H H 1 8.846 0.030 . 1 . . . . 41 TRP H . 11157 1 402 . 1 1 41 41 TRP HA H 1 4.673 0.030 . 1 . . . . 41 TRP HA . 11157 1 403 . 1 1 41 41 TRP HB2 H 1 3.018 0.030 . 2 . . . . 41 TRP HB2 . 11157 1 404 . 1 1 41 41 TRP HB3 H 1 3.259 0.030 . 2 . . . . 41 TRP HB3 . 11157 1 405 . 1 1 41 41 TRP HD1 H 1 6.969 0.030 . 1 . . . . 41 TRP HD1 . 11157 1 406 . 1 1 41 41 TRP HE1 H 1 9.973 0.030 . 1 . . . . 41 TRP HE1 . 11157 1 407 . 1 1 41 41 TRP HE3 H 1 7.202 0.030 . 1 . . . . 41 TRP HE3 . 11157 1 408 . 1 1 41 41 TRP HH2 H 1 7.098 0.030 . 1 . . . . 41 TRP HH2 . 11157 1 409 . 1 1 41 41 TRP HZ2 H 1 7.323 0.030 . 1 . . . . 41 TRP HZ2 . 11157 1 410 . 1 1 41 41 TRP HZ3 H 1 6.906 0.030 . 1 . . . . 41 TRP HZ3 . 11157 1 411 . 1 1 41 41 TRP C C 13 177.811 0.300 . 1 . . . . 41 TRP C . 11157 1 412 . 1 1 41 41 TRP CA C 13 60.405 0.300 . 1 . . . . 41 TRP CA . 11157 1 413 . 1 1 41 41 TRP CB C 13 32.215 0.300 . 1 . . . . 41 TRP CB . 11157 1 414 . 1 1 41 41 TRP CD1 C 13 129.045 0.300 . 1 . . . . 41 TRP CD1 . 11157 1 415 . 1 1 41 41 TRP CE3 C 13 122.782 0.300 . 1 . . . . 41 TRP CE3 . 11157 1 416 . 1 1 41 41 TRP CH2 C 13 126.758 0.300 . 1 . . . . 41 TRP CH2 . 11157 1 417 . 1 1 41 41 TRP CZ2 C 13 116.699 0.300 . 1 . . . . 41 TRP CZ2 . 11157 1 418 . 1 1 41 41 TRP CZ3 C 13 124.056 0.300 . 1 . . . . 41 TRP CZ3 . 11157 1 419 . 1 1 41 41 TRP N N 15 125.930 0.300 . 1 . . . . 41 TRP N . 11157 1 420 . 1 1 41 41 TRP NE1 N 15 129.644 0.300 . 1 . . . . 41 TRP NE1 . 11157 1 421 . 1 1 42 42 GLU H H 1 7.990 0.030 . 1 . . . . 42 GLU H . 11157 1 422 . 1 1 42 42 GLU HA H 1 4.156 0.030 . 1 . . . . 42 GLU HA . 11157 1 423 . 1 1 42 42 GLU HB2 H 1 1.872 0.030 . 2 . . . . 42 GLU HB2 . 11157 1 424 . 1 1 42 42 GLU HB3 H 1 1.736 0.030 . 2 . . . . 42 GLU HB3 . 11157 1 425 . 1 1 42 42 GLU HG2 H 1 2.091 0.030 . 2 . . . . 42 GLU HG2 . 11157 1 426 . 1 1 42 42 GLU C C 13 177.273 0.300 . 1 . . . . 42 GLU C . 11157 1 427 . 1 1 42 42 GLU CA C 13 58.287 0.300 . 1 . . . . 42 GLU CA . 11157 1 428 . 1 1 42 42 GLU CB C 13 33.321 0.300 . 1 . . . . 42 GLU CB . 11157 1 429 . 1 1 42 42 GLU CG C 13 38.620 0.300 . 1 . . . . 42 GLU CG . 11157 1 430 . 1 1 42 42 GLU N N 15 124.833 0.300 . 1 . . . . 42 GLU N . 11157 1 431 . 1 1 43 43 ALA H H 1 7.839 0.030 . 1 . . . . 43 ALA H . 11157 1 432 . 1 1 43 43 ALA HA H 1 3.971 0.030 . 1 . . . . 43 ALA HA . 11157 1 433 . 1 1 43 43 ALA HB1 H 1 1.218 0.030 . 1 . . . . 43 ALA HB . 11157 1 434 . 1 1 43 43 ALA HB2 H 1 1.218 0.030 . 1 . . . . 43 ALA HB . 11157 1 435 . 1 1 43 43 ALA HB3 H 1 1.218 0.030 . 1 . . . . 43 ALA HB . 11157 1 436 . 1 1 43 43 ALA C C 13 179.452 0.300 . 1 . . . . 43 ALA C . 11157 1 437 . 1 1 43 43 ALA CA C 13 54.611 0.300 . 1 . . . . 43 ALA CA . 11157 1 438 . 1 1 43 43 ALA CB C 13 21.395 0.300 . 1 . . . . 43 ALA CB . 11157 1 439 . 1 1 43 43 ALA N N 15 124.629 0.300 . 1 . . . . 43 ALA N . 11157 1 440 . 1 1 44 44 TYR H H 1 8.094 0.030 . 1 . . . . 44 TYR H . 11157 1 441 . 1 1 44 44 TYR HA H 1 4.474 0.030 . 1 . . . . 44 TYR HA . 11157 1 442 . 1 1 44 44 TYR HB2 H 1 2.978 0.030 . 2 . . . . 44 TYR HB2 . 11157 1 443 . 1 1 44 44 TYR HB3 H 1 2.947 0.030 . 2 . . . . 44 TYR HB3 . 11157 1 444 . 1 1 44 44 TYR HD1 H 1 7.073 0.030 . 1 . . . . 44 TYR HD1 . 11157 1 445 . 1 1 44 44 TYR HD2 H 1 7.073 0.030 . 1 . . . . 44 TYR HD2 . 11157 1 446 . 1 1 44 44 TYR HE1 H 1 6.792 0.030 . 1 . . . . 44 TYR HE1 . 11157 1 447 . 1 1 44 44 TYR HE2 H 1 6.792 0.030 . 1 . . . . 44 TYR HE2 . 11157 1 448 . 1 1 44 44 TYR C C 13 178.118 0.300 . 1 . . . . 44 TYR C . 11157 1 449 . 1 1 44 44 TYR CA C 13 60.507 0.300 . 1 . . . . 44 TYR CA . 11157 1 450 . 1 1 44 44 TYR CB C 13 41.089 0.300 . 1 . . . . 44 TYR CB . 11157 1 451 . 1 1 44 44 TYR CD1 C 13 135.711 0.300 . 1 . . . . 44 TYR CD1 . 11157 1 452 . 1 1 44 44 TYR CD2 C 13 135.711 0.300 . 1 . . . . 44 TYR CD2 . 11157 1 453 . 1 1 44 44 TYR CE1 C 13 120.595 0.300 . 1 . . . . 44 TYR CE1 . 11157 1 454 . 1 1 44 44 TYR CE2 C 13 120.595 0.300 . 1 . . . . 44 TYR CE2 . 11157 1 455 . 1 1 44 44 TYR N N 15 120.058 0.300 . 1 . . . . 44 TYR N . 11157 1 456 . 1 1 45 45 SER H H 1 8.174 0.030 . 1 . . . . 45 SER H . 11157 1 457 . 1 1 45 45 SER HA H 1 4.427 0.030 . 1 . . . . 45 SER HA . 11157 1 458 . 1 1 45 45 SER HB2 H 1 3.772 0.030 . 2 . . . . 45 SER HB2 . 11157 1 459 . 1 1 45 45 SER HB3 H 1 3.727 0.030 . 2 . . . . 45 SER HB3 . 11157 1 460 . 1 1 45 45 SER C C 13 176.331 0.300 . 1 . . . . 45 SER C . 11157 1 461 . 1 1 45 45 SER CA C 13 60.108 0.300 . 1 . . . . 45 SER CA . 11157 1 462 . 1 1 45 45 SER CB C 13 66.299 0.300 . 1 . . . . 45 SER CB . 11157 1 463 . 1 1 45 45 SER N N 15 119.563 0.300 . 1 . . . . 45 SER N . 11157 1 464 . 1 1 46 46 GLY H H 1 7.328 0.030 . 1 . . . . 46 GLY H . 11157 1 465 . 1 1 46 46 GLY HA2 H 1 3.996 0.030 . 2 . . . . 46 GLY HA2 . 11157 1 466 . 1 1 46 46 GLY C C 13 173.669 0.300 . 1 . . . . 46 GLY C . 11157 1 467 . 1 1 46 46 GLY CA C 13 46.892 0.300 . 1 . . . . 46 GLY CA . 11157 1 468 . 1 1 46 46 GLY N N 15 110.368 0.300 . 1 . . . . 46 GLY N . 11157 1 469 . 1 1 47 47 PRO HA H 1 4.498 0.030 . 1 . . . . 47 PRO HA . 11157 1 470 . 1 1 47 47 PRO HB2 H 1 2.308 0.030 . 2 . . . . 47 PRO HB2 . 11157 1 471 . 1 1 47 47 PRO HB3 H 1 1.998 0.030 . 2 . . . . 47 PRO HB3 . 11157 1 472 . 1 1 47 47 PRO HD2 H 1 3.623 0.030 . 2 . . . . 47 PRO HD2 . 11157 1 473 . 1 1 47 47 PRO HD3 H 1 3.592 0.030 . 2 . . . . 47 PRO HD3 . 11157 1 474 . 1 1 47 47 PRO HG2 H 1 2.039 0.030 . 1 . . . . 47 PRO HG2 . 11157 1 475 . 1 1 47 47 PRO HG3 H 1 2.039 0.030 . 1 . . . . 47 PRO HG3 . 11157 1 476 . 1 1 47 47 PRO CA C 13 65.471 0.300 . 1 . . . . 47 PRO CA . 11157 1 477 . 1 1 47 47 PRO CB C 13 34.513 0.300 . 1 . . . . 47 PRO CB . 11157 1 478 . 1 1 47 47 PRO CD C 13 52.016 0.300 . 1 . . . . 47 PRO CD . 11157 1 479 . 1 1 47 47 PRO CG C 13 29.518 0.300 . 1 . . . . 47 PRO CG . 11157 1 stop_ save_