data_11151 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11151 _Entry.Title ; Solution structure of the first Phorbol esters/diacylglycerol binding domain of human Protein kinase C, delta ; _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 . . . 11151 2 K. Miyamoto . . . 11151 3 N. Tochio . . . 11151 4 K. Saito . . . 11151 5 A. Sasagawa . . . 11151 6 S. Koshiba . . . 11151 7 M. Inoue . . . 11151 8 T. Kigawa . . . 11151 9 S. Yokoyama . . . 11151 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)' . 11151 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11151 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 11151 '15N chemical shifts' 68 11151 '1H chemical shifts' 483 11151 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 . 11151 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUU 'BMRB Entry Tracking System' 11151 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11151 _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 first Phorbol esters/diacylglycerol binding domain of human Protein kinase C, delta ; _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 . . . 11151 1 2 K. Miyamoto . . . 11151 1 3 N. Tochio . . . 11151 1 4 K. Saito . . . 11151 1 5 A. Sasagawa . . . 11151 1 6 S. Koshiba . . . 11151 1 7 M. Inoue . . . 11151 1 8 T. Kigawa . . . 11151 1 9 S. Yokoyama . . . 11151 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11151 _Assembly.ID 1 _Assembly.Name 'Protein kinase C delta type' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.2.7.11.13 _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 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 $entity_1 A . yes native no no . . . 11151 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11151 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11151 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 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 HIS 18 18 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 HIS ND1 . . . . ZN 11151 1 2 coordination single . 1 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 CYS 48 48 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 11151 1 3 coordination single . 1 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 CYS 51 51 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 51 CYS SG . . . . ZN 11151 1 4 coordination single . 1 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 CYS 67 67 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 67 CYS SG . . . . ZN 11151 1 5 coordination single . 1 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 CYS 31 31 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11151 1 6 coordination single . 1 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 CYS 34 34 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 34 CYS SG . . . . ZN 11151 1 7 coordination single . 1 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 HIS 56 56 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 56 HIS ND1 . . . . ZN 11151 1 8 coordination single . 1 'Phorbol esters/diacylglycerol binding domain (C1 domain)' 1 CYS 59 59 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 59 CYS SG . . . . ZN 11151 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 56 56 HD1 . 56 HIS HD1 11151 1 . . 1 1 CYS 59 59 HG . 59 CYS HG 11151 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 11151 1 . . 1 1 CYS 34 34 HG . 34 CYS HG 11151 1 . . 1 1 CYS 51 51 HG . 51 CYS HG 11151 1 . . 1 1 CYS 67 67 HG . 67 CYS HG 11151 1 . . 1 1 HIS 18 18 HD1 . 18 HIS HD1 11151 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 11151 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 2yuu . . . . . . 11151 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11151 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Phorbol esters/diacylglycerol binding domain (C1 domain)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGKQAKIHYIKNHEF IATFFGQPTFCSVCKDFVWG LNKQGYKCRQCNAAIHKKCI DKIIGRCTGTAANSRDTSGP SSG ; _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 83 _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 2YUU . "Solution Structure Of The First Phorbol EstersDIACYLGLYCEROL BINDING DOMAIN OF HUMAN PROTEIN Kinase C, Delta" . . . . . 100.00 83 100.00 100.00 6.71e-53 . . . . 11151 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Phorbol esters/diacylglycerol binding domain (C1 domain)' . 11151 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 . 11151 1 2 . SER . 11151 1 3 . SER . 11151 1 4 . GLY . 11151 1 5 . SER . 11151 1 6 . SER . 11151 1 7 . GLY . 11151 1 8 . LYS . 11151 1 9 . GLN . 11151 1 10 . ALA . 11151 1 11 . LYS . 11151 1 12 . ILE . 11151 1 13 . HIS . 11151 1 14 . TYR . 11151 1 15 . ILE . 11151 1 16 . LYS . 11151 1 17 . ASN . 11151 1 18 . HIS . 11151 1 19 . GLU . 11151 1 20 . PHE . 11151 1 21 . ILE . 11151 1 22 . ALA . 11151 1 23 . THR . 11151 1 24 . PHE . 11151 1 25 . PHE . 11151 1 26 . GLY . 11151 1 27 . GLN . 11151 1 28 . PRO . 11151 1 29 . THR . 11151 1 30 . PHE . 11151 1 31 . CYS . 11151 1 32 . SER . 11151 1 33 . VAL . 11151 1 34 . CYS . 11151 1 35 . LYS . 11151 1 36 . ASP . 11151 1 37 . PHE . 11151 1 38 . VAL . 11151 1 39 . TRP . 11151 1 40 . GLY . 11151 1 41 . LEU . 11151 1 42 . ASN . 11151 1 43 . LYS . 11151 1 44 . GLN . 11151 1 45 . GLY . 11151 1 46 . TYR . 11151 1 47 . LYS . 11151 1 48 . CYS . 11151 1 49 . ARG . 11151 1 50 . GLN . 11151 1 51 . CYS . 11151 1 52 . ASN . 11151 1 53 . ALA . 11151 1 54 . ALA . 11151 1 55 . ILE . 11151 1 56 . HIS . 11151 1 57 . LYS . 11151 1 58 . LYS . 11151 1 59 . CYS . 11151 1 60 . ILE . 11151 1 61 . ASP . 11151 1 62 . LYS . 11151 1 63 . ILE . 11151 1 64 . ILE . 11151 1 65 . GLY . 11151 1 66 . ARG . 11151 1 67 . CYS . 11151 1 68 . THR . 11151 1 69 . GLY . 11151 1 70 . THR . 11151 1 71 . ALA . 11151 1 72 . ALA . 11151 1 73 . ASN . 11151 1 74 . SER . 11151 1 75 . ARG . 11151 1 76 . ASP . 11151 1 77 . THR . 11151 1 78 . SER . 11151 1 79 . GLY . 11151 1 80 . PRO . 11151 1 81 . SER . 11151 1 82 . SER . 11151 1 83 . GLY . 11151 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 11151 1 . SER 2 2 11151 1 . SER 3 3 11151 1 . GLY 4 4 11151 1 . SER 5 5 11151 1 . SER 6 6 11151 1 . GLY 7 7 11151 1 . LYS 8 8 11151 1 . GLN 9 9 11151 1 . ALA 10 10 11151 1 . LYS 11 11 11151 1 . ILE 12 12 11151 1 . HIS 13 13 11151 1 . TYR 14 14 11151 1 . ILE 15 15 11151 1 . LYS 16 16 11151 1 . ASN 17 17 11151 1 . HIS 18 18 11151 1 . GLU 19 19 11151 1 . PHE 20 20 11151 1 . ILE 21 21 11151 1 . ALA 22 22 11151 1 . THR 23 23 11151 1 . PHE 24 24 11151 1 . PHE 25 25 11151 1 . GLY 26 26 11151 1 . GLN 27 27 11151 1 . PRO 28 28 11151 1 . THR 29 29 11151 1 . PHE 30 30 11151 1 . CYS 31 31 11151 1 . SER 32 32 11151 1 . VAL 33 33 11151 1 . CYS 34 34 11151 1 . LYS 35 35 11151 1 . ASP 36 36 11151 1 . PHE 37 37 11151 1 . VAL 38 38 11151 1 . TRP 39 39 11151 1 . GLY 40 40 11151 1 . LEU 41 41 11151 1 . ASN 42 42 11151 1 . LYS 43 43 11151 1 . GLN 44 44 11151 1 . GLY 45 45 11151 1 . TYR 46 46 11151 1 . LYS 47 47 11151 1 . CYS 48 48 11151 1 . ARG 49 49 11151 1 . GLN 50 50 11151 1 . CYS 51 51 11151 1 . ASN 52 52 11151 1 . ALA 53 53 11151 1 . ALA 54 54 11151 1 . ILE 55 55 11151 1 . HIS 56 56 11151 1 . LYS 57 57 11151 1 . LYS 58 58 11151 1 . CYS 59 59 11151 1 . ILE 60 60 11151 1 . ASP 61 61 11151 1 . LYS 62 62 11151 1 . ILE 63 63 11151 1 . ILE 64 64 11151 1 . GLY 65 65 11151 1 . ARG 66 66 11151 1 . CYS 67 67 11151 1 . THR 68 68 11151 1 . GLY 69 69 11151 1 . THR 70 70 11151 1 . ALA 71 71 11151 1 . ALA 72 72 11151 1 . ASN 73 73 11151 1 . SER 74 74 11151 1 . ARG 75 75 11151 1 . ASP 76 76 11151 1 . THR 77 77 11151 1 . SER 78 78 11151 1 . GLY 79 79 11151 1 . PRO 80 80 11151 1 . SER 81 81 11151 1 . SER 82 82 11151 1 . GLY 83 83 11151 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11151 _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 . 11151 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 11151 _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 . . . . . . . . . . . . . . . . . . . . . 11151 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 11151 _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 . . . . . . . . . . . . . . . . P050302-69 . . . . . . 11151 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 11151 _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 11151 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11151 ZN [Zn++] SMILES CACTVS 3.341 11151 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11151 ZN [Zn+2] SMILES ACDLabs 10.04 11151 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11151 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11151 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 11151 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11151 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 . . 11151 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11151 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.28mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 {;0.05mM} ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Phorbol esters/diacylglycerol binding domain (C1 domain)' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.28 . . mM . . . . 11151 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11151 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11151 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11151 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11151 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11151 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11151 1 8 H2O . . . . . . solvent 90 . . % . . . . 11151 1 9 D2O . . . . . . solvent 10 . . % . . . . 11151 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 11151 _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 11151 1 pH 7.0 0.05 pH 11151 1 pressure 1 0.001 atm 11151 1 temperature 296 0.1 K 11151 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11151 _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 . . 11151 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11151 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11151 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11151 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11151 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11151 _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.' . . 11151 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11151 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11151 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11151 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11151 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11151 _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.' . . 11151 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11151 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 11151 _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 11151 _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 . . . 11151 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 11151 _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 . . . . . . . . . . . . . . . . 11151 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11151 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 11151 _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 . . . . . . . . . 11151 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11151 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11151 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 11151 _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 11151 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11151 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 . . 11151 1 2 $NMRPipe . . 11151 1 3 $NMRView . . 11151 1 4 $Kujira . . 11151 1 5 $CYANA . . 11151 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 LYS HA H 1 4.334 0.030 . 1 . . . . 8 LYS HA . 11151 1 2 . 1 1 8 8 LYS HB2 H 1 1.767 0.030 . 2 . . . . 8 LYS HB2 . 11151 1 3 . 1 1 8 8 LYS HB3 H 1 1.860 0.030 . 2 . . . . 8 LYS HB3 . 11151 1 4 . 1 1 8 8 LYS CA C 13 56.475 0.300 . 1 . . . . 8 LYS CA . 11151 1 5 . 1 1 8 8 LYS CB C 13 33.003 0.300 . 1 . . . . 8 LYS CB . 11151 1 6 . 1 1 9 9 GLN H H 1 8.402 0.030 . 1 . . . . 9 GLN H . 11151 1 7 . 1 1 9 9 GLN HA H 1 4.350 0.030 . 1 . . . . 9 GLN HA . 11151 1 8 . 1 1 9 9 GLN HB2 H 1 2.141 0.030 . 2 . . . . 9 GLN HB2 . 11151 1 9 . 1 1 9 9 GLN HB3 H 1 2.007 0.030 . 2 . . . . 9 GLN HB3 . 11151 1 10 . 1 1 9 9 GLN HG2 H 1 2.409 0.030 . 1 . . . . 9 GLN HG2 . 11151 1 11 . 1 1 9 9 GLN HG3 H 1 2.409 0.030 . 1 . . . . 9 GLN HG3 . 11151 1 12 . 1 1 9 9 GLN C C 13 175.696 0.300 . 1 . . . . 9 GLN C . 11151 1 13 . 1 1 9 9 GLN CA C 13 55.719 0.300 . 1 . . . . 9 GLN CA . 11151 1 14 . 1 1 9 9 GLN CB C 13 29.598 0.300 . 1 . . . . 9 GLN CB . 11151 1 15 . 1 1 9 9 GLN CG C 13 33.953 0.300 . 1 . . . . 9 GLN CG . 11151 1 16 . 1 1 9 9 GLN N N 15 121.428 0.300 . 1 . . . . 9 GLN N . 11151 1 17 . 1 1 10 10 ALA H H 1 8.322 0.030 . 1 . . . . 10 ALA H . 11151 1 18 . 1 1 10 10 ALA HA H 1 4.336 0.030 . 1 . . . . 10 ALA HA . 11151 1 19 . 1 1 10 10 ALA HB1 H 1 1.398 0.030 . 1 . . . . 10 ALA HB . 11151 1 20 . 1 1 10 10 ALA HB2 H 1 1.398 0.030 . 1 . . . . 10 ALA HB . 11151 1 21 . 1 1 10 10 ALA HB3 H 1 1.398 0.030 . 1 . . . . 10 ALA HB . 11151 1 22 . 1 1 10 10 ALA C C 13 177.177 0.300 . 1 . . . . 10 ALA C . 11151 1 23 . 1 1 10 10 ALA CA C 13 52.329 0.300 . 1 . . . . 10 ALA CA . 11151 1 24 . 1 1 10 10 ALA CB C 13 19.416 0.300 . 1 . . . . 10 ALA CB . 11151 1 25 . 1 1 10 10 ALA N N 15 126.115 0.300 . 1 . . . . 10 ALA N . 11151 1 26 . 1 1 11 11 LYS H H 1 8.259 0.030 . 1 . . . . 11 LYS H . 11151 1 27 . 1 1 11 11 LYS HA H 1 4.229 0.030 . 1 . . . . 11 LYS HA . 11151 1 28 . 1 1 11 11 LYS HB2 H 1 1.793 0.030 . 1 . . . . 11 LYS HB2 . 11151 1 29 . 1 1 11 11 LYS HB3 H 1 1.793 0.030 . 1 . . . . 11 LYS HB3 . 11151 1 30 . 1 1 11 11 LYS HD2 H 1 1.642 0.030 . 1 . . . . 11 LYS HD2 . 11151 1 31 . 1 1 11 11 LYS HD3 H 1 1.642 0.030 . 1 . . . . 11 LYS HD3 . 11151 1 32 . 1 1 11 11 LYS HE2 H 1 2.887 0.030 . 2 . . . . 11 LYS HE2 . 11151 1 33 . 1 1 11 11 LYS HE3 H 1 2.802 0.030 . 2 . . . . 11 LYS HE3 . 11151 1 34 . 1 1 11 11 LYS HG2 H 1 1.211 0.030 . 1 . . . . 11 LYS HG2 . 11151 1 35 . 1 1 11 11 LYS HG3 H 1 1.211 0.030 . 1 . . . . 11 LYS HG3 . 11151 1 36 . 1 1 11 11 LYS C C 13 175.162 0.300 . 1 . . . . 11 LYS C . 11151 1 37 . 1 1 11 11 LYS CA C 13 56.382 0.300 . 1 . . . . 11 LYS CA . 11151 1 38 . 1 1 11 11 LYS CB C 13 32.813 0.300 . 1 . . . . 11 LYS CB . 11151 1 39 . 1 1 11 11 LYS CD C 13 29.066 0.300 . 1 . . . . 11 LYS CD . 11151 1 40 . 1 1 11 11 LYS CE C 13 42.210 0.300 . 1 . . . . 11 LYS CE . 11151 1 41 . 1 1 11 11 LYS CG C 13 24.900 0.300 . 1 . . . . 11 LYS CG . 11151 1 42 . 1 1 11 11 LYS N N 15 121.978 0.300 . 1 . . . . 11 LYS N . 11151 1 43 . 1 1 12 12 ILE H H 1 7.989 0.030 . 1 . . . . 12 ILE H . 11151 1 44 . 1 1 12 12 ILE HA H 1 4.314 0.030 . 1 . . . . 12 ILE HA . 11151 1 45 . 1 1 12 12 ILE HB H 1 1.428 0.030 . 1 . . . . 12 ILE HB . 11151 1 46 . 1 1 12 12 ILE HD11 H 1 0.737 0.030 . 1 . . . . 12 ILE HD1 . 11151 1 47 . 1 1 12 12 ILE HD12 H 1 0.737 0.030 . 1 . . . . 12 ILE HD1 . 11151 1 48 . 1 1 12 12 ILE HD13 H 1 0.737 0.030 . 1 . . . . 12 ILE HD1 . 11151 1 49 . 1 1 12 12 ILE HG12 H 1 0.848 0.030 . 2 . . . . 12 ILE HG12 . 11151 1 50 . 1 1 12 12 ILE HG13 H 1 1.450 0.030 . 2 . . . . 12 ILE HG13 . 11151 1 51 . 1 1 12 12 ILE HG21 H 1 -0.018 0.030 . 1 . . . . 12 ILE HG2 . 11151 1 52 . 1 1 12 12 ILE HG22 H 1 -0.018 0.030 . 1 . . . . 12 ILE HG2 . 11151 1 53 . 1 1 12 12 ILE HG23 H 1 -0.018 0.030 . 1 . . . . 12 ILE HG2 . 11151 1 54 . 1 1 12 12 ILE C C 13 174.966 0.300 . 1 . . . . 12 ILE C . 11151 1 55 . 1 1 12 12 ILE CA C 13 59.962 0.300 . 1 . . . . 12 ILE CA . 11151 1 56 . 1 1 12 12 ILE CB C 13 39.316 0.300 . 1 . . . . 12 ILE CB . 11151 1 57 . 1 1 12 12 ILE CD1 C 13 12.778 0.300 . 1 . . . . 12 ILE CD1 . 11151 1 58 . 1 1 12 12 ILE CG1 C 13 27.829 0.300 . 1 . . . . 12 ILE CG1 . 11151 1 59 . 1 1 12 12 ILE CG2 C 13 17.148 0.300 . 1 . . . . 12 ILE CG2 . 11151 1 60 . 1 1 12 12 ILE N N 15 124.623 0.300 . 1 . . . . 12 ILE N . 11151 1 61 . 1 1 13 13 HIS H H 1 9.106 0.030 . 1 . . . . 13 HIS H . 11151 1 62 . 1 1 13 13 HIS HA H 1 4.600 0.030 . 1 . . . . 13 HIS HA . 11151 1 63 . 1 1 13 13 HIS HB2 H 1 2.819 0.030 . 2 . . . . 13 HIS HB2 . 11151 1 64 . 1 1 13 13 HIS HB3 H 1 2.749 0.030 . 2 . . . . 13 HIS HB3 . 11151 1 65 . 1 1 13 13 HIS HD2 H 1 6.696 0.030 . 1 . . . . 13 HIS HD2 . 11151 1 66 . 1 1 13 13 HIS HE1 H 1 7.726 0.030 . 1 . . . . 13 HIS HE1 . 11151 1 67 . 1 1 13 13 HIS C C 13 174.814 0.300 . 1 . . . . 13 HIS C . 11151 1 68 . 1 1 13 13 HIS CA C 13 55.084 0.300 . 1 . . . . 13 HIS CA . 11151 1 69 . 1 1 13 13 HIS CB C 13 30.948 0.300 . 1 . . . . 13 HIS CB . 11151 1 70 . 1 1 13 13 HIS CD2 C 13 120.715 0.300 . 1 . . . . 13 HIS CD2 . 11151 1 71 . 1 1 13 13 HIS CE1 C 13 138.085 0.300 . 1 . . . . 13 HIS CE1 . 11151 1 72 . 1 1 13 13 HIS N N 15 126.968 0.300 . 1 . . . . 13 HIS N . 11151 1 73 . 1 1 14 14 TYR H H 1 8.742 0.030 . 1 . . . . 14 TYR H . 11151 1 74 . 1 1 14 14 TYR HA H 1 5.238 0.030 . 1 . . . . 14 TYR HA . 11151 1 75 . 1 1 14 14 TYR HB2 H 1 3.081 0.030 . 2 . . . . 14 TYR HB2 . 11151 1 76 . 1 1 14 14 TYR HB3 H 1 2.924 0.030 . 2 . . . . 14 TYR HB3 . 11151 1 77 . 1 1 14 14 TYR HD1 H 1 7.214 0.030 . 1 . . . . 14 TYR HD1 . 11151 1 78 . 1 1 14 14 TYR HD2 H 1 7.214 0.030 . 1 . . . . 14 TYR HD2 . 11151 1 79 . 1 1 14 14 TYR HE1 H 1 6.745 0.030 . 1 . . . . 14 TYR HE1 . 11151 1 80 . 1 1 14 14 TYR HE2 H 1 6.745 0.030 . 1 . . . . 14 TYR HE2 . 11151 1 81 . 1 1 14 14 TYR C C 13 176.133 0.300 . 1 . . . . 14 TYR C . 11151 1 82 . 1 1 14 14 TYR CA C 13 57.587 0.300 . 1 . . . . 14 TYR CA . 11151 1 83 . 1 1 14 14 TYR CB C 13 37.707 0.300 . 1 . . . . 14 TYR CB . 11151 1 84 . 1 1 14 14 TYR CD1 C 13 133.835 0.300 . 1 . . . . 14 TYR CD1 . 11151 1 85 . 1 1 14 14 TYR CD2 C 13 133.835 0.300 . 1 . . . . 14 TYR CD2 . 11151 1 86 . 1 1 14 14 TYR CE1 C 13 117.867 0.300 . 1 . . . . 14 TYR CE1 . 11151 1 87 . 1 1 14 14 TYR CE2 C 13 117.867 0.300 . 1 . . . . 14 TYR CE2 . 11151 1 88 . 1 1 14 14 TYR N N 15 127.043 0.300 . 1 . . . . 14 TYR N . 11151 1 89 . 1 1 15 15 ILE H H 1 7.451 0.030 . 1 . . . . 15 ILE H . 11151 1 90 . 1 1 15 15 ILE HA H 1 4.537 0.030 . 1 . . . . 15 ILE HA . 11151 1 91 . 1 1 15 15 ILE HB H 1 2.043 0.030 . 1 . . . . 15 ILE HB . 11151 1 92 . 1 1 15 15 ILE HD11 H 1 0.931 0.030 . 1 . . . . 15 ILE HD1 . 11151 1 93 . 1 1 15 15 ILE HD12 H 1 0.931 0.030 . 1 . . . . 15 ILE HD1 . 11151 1 94 . 1 1 15 15 ILE HD13 H 1 0.931 0.030 . 1 . . . . 15 ILE HD1 . 11151 1 95 . 1 1 15 15 ILE HG12 H 1 1.251 0.030 . 2 . . . . 15 ILE HG12 . 11151 1 96 . 1 1 15 15 ILE HG13 H 1 1.468 0.030 . 2 . . . . 15 ILE HG13 . 11151 1 97 . 1 1 15 15 ILE HG21 H 1 1.084 0.030 . 1 . . . . 15 ILE HG2 . 11151 1 98 . 1 1 15 15 ILE HG22 H 1 1.084 0.030 . 1 . . . . 15 ILE HG2 . 11151 1 99 . 1 1 15 15 ILE HG23 H 1 1.084 0.030 . 1 . . . . 15 ILE HG2 . 11151 1 100 . 1 1 15 15 ILE C C 13 174.808 0.300 . 1 . . . . 15 ILE C . 11151 1 101 . 1 1 15 15 ILE CA C 13 59.524 0.300 . 1 . . . . 15 ILE CA . 11151 1 102 . 1 1 15 15 ILE CB C 13 40.704 0.300 . 1 . . . . 15 ILE CB . 11151 1 103 . 1 1 15 15 ILE CD1 C 13 12.970 0.300 . 1 . . . . 15 ILE CD1 . 11151 1 104 . 1 1 15 15 ILE CG1 C 13 27.448 0.300 . 1 . . . . 15 ILE CG1 . 11151 1 105 . 1 1 15 15 ILE CG2 C 13 17.151 0.300 . 1 . . . . 15 ILE CG2 . 11151 1 106 . 1 1 15 15 ILE N N 15 123.561 0.300 . 1 . . . . 15 ILE N . 11151 1 107 . 1 1 16 16 LYS H H 1 9.677 0.030 . 1 . . . . 16 LYS H . 11151 1 108 . 1 1 16 16 LYS HA H 1 3.907 0.030 . 1 . . . . 16 LYS HA . 11151 1 109 . 1 1 16 16 LYS HB2 H 1 1.877 0.030 . 2 . . . . 16 LYS HB2 . 11151 1 110 . 1 1 16 16 LYS HB3 H 1 2.120 0.030 . 2 . . . . 16 LYS HB3 . 11151 1 111 . 1 1 16 16 LYS HD2 H 1 1.672 0.030 . 2 . . . . 16 LYS HD2 . 11151 1 112 . 1 1 16 16 LYS HD3 H 1 1.512 0.030 . 2 . . . . 16 LYS HD3 . 11151 1 113 . 1 1 16 16 LYS HE2 H 1 3.062 0.030 . 1 . . . . 16 LYS HE2 . 11151 1 114 . 1 1 16 16 LYS HE3 H 1 3.062 0.030 . 1 . . . . 16 LYS HE3 . 11151 1 115 . 1 1 16 16 LYS HG2 H 1 1.495 0.030 . 2 . . . . 16 LYS HG2 . 11151 1 116 . 1 1 16 16 LYS HG3 H 1 1.418 0.030 . 2 . . . . 16 LYS HG3 . 11151 1 117 . 1 1 16 16 LYS C C 13 174.392 0.300 . 1 . . . . 16 LYS C . 11151 1 118 . 1 1 16 16 LYS CA C 13 57.619 0.300 . 1 . . . . 16 LYS CA . 11151 1 119 . 1 1 16 16 LYS CB C 13 30.548 0.300 . 1 . . . . 16 LYS CB . 11151 1 120 . 1 1 16 16 LYS CD C 13 29.294 0.300 . 1 . . . . 16 LYS CD . 11151 1 121 . 1 1 16 16 LYS CE C 13 42.732 0.300 . 1 . . . . 16 LYS CE . 11151 1 122 . 1 1 16 16 LYS CG C 13 26.054 0.300 . 1 . . . . 16 LYS CG . 11151 1 123 . 1 1 16 16 LYS N N 15 127.517 0.300 . 1 . . . . 16 LYS N . 11151 1 124 . 1 1 17 17 ASN H H 1 8.574 0.030 . 1 . . . . 17 ASN H . 11151 1 125 . 1 1 17 17 ASN HA H 1 4.247 0.030 . 1 . . . . 17 ASN HA . 11151 1 126 . 1 1 17 17 ASN HB2 H 1 2.990 0.030 . 1 . . . . 17 ASN HB2 . 11151 1 127 . 1 1 17 17 ASN HB3 H 1 2.990 0.030 . 1 . . . . 17 ASN HB3 . 11151 1 128 . 1 1 17 17 ASN HD21 H 1 7.536 0.030 . 2 . . . . 17 ASN HD21 . 11151 1 129 . 1 1 17 17 ASN HD22 H 1 6.852 0.030 . 2 . . . . 17 ASN HD22 . 11151 1 130 . 1 1 17 17 ASN C C 13 174.635 0.300 . 1 . . . . 17 ASN C . 11151 1 131 . 1 1 17 17 ASN CA C 13 55.787 0.300 . 1 . . . . 17 ASN CA . 11151 1 132 . 1 1 17 17 ASN CB C 13 38.233 0.300 . 1 . . . . 17 ASN CB . 11151 1 133 . 1 1 17 17 ASN N N 15 108.716 0.300 . 1 . . . . 17 ASN N . 11151 1 134 . 1 1 17 17 ASN ND2 N 15 111.399 0.300 . 1 . . . . 17 ASN ND2 . 11151 1 135 . 1 1 18 18 HIS H H 1 8.519 0.030 . 1 . . . . 18 HIS H . 11151 1 136 . 1 1 18 18 HIS HA H 1 4.745 0.030 . 1 . . . . 18 HIS HA . 11151 1 137 . 1 1 18 18 HIS HB2 H 1 2.171 0.030 . 2 . . . . 18 HIS HB2 . 11151 1 138 . 1 1 18 18 HIS HB3 H 1 3.103 0.030 . 2 . . . . 18 HIS HB3 . 11151 1 139 . 1 1 18 18 HIS HD2 H 1 7.355 0.030 . 1 . . . . 18 HIS HD2 . 11151 1 140 . 1 1 18 18 HIS HE1 H 1 7.996 0.030 . 1 . . . . 18 HIS HE1 . 11151 1 141 . 1 1 18 18 HIS C C 13 174.697 0.300 . 1 . . . . 18 HIS C . 11151 1 142 . 1 1 18 18 HIS CA C 13 56.107 0.300 . 1 . . . . 18 HIS CA . 11151 1 143 . 1 1 18 18 HIS CB C 13 31.824 0.300 . 1 . . . . 18 HIS CB . 11151 1 144 . 1 1 18 18 HIS CD2 C 13 121.335 0.300 . 1 . . . . 18 HIS CD2 . 11151 1 145 . 1 1 18 18 HIS CE1 C 13 140.248 0.300 . 1 . . . . 18 HIS CE1 . 11151 1 146 . 1 1 18 18 HIS N N 15 120.465 0.300 . 1 . . . . 18 HIS N . 11151 1 147 . 1 1 19 19 GLU H H 1 8.649 0.030 . 1 . . . . 19 GLU H . 11151 1 148 . 1 1 19 19 GLU HA H 1 4.246 0.030 . 1 . . . . 19 GLU HA . 11151 1 149 . 1 1 19 19 GLU HB2 H 1 1.860 0.030 . 2 . . . . 19 GLU HB2 . 11151 1 150 . 1 1 19 19 GLU HB3 H 1 1.630 0.030 . 2 . . . . 19 GLU HB3 . 11151 1 151 . 1 1 19 19 GLU HG2 H 1 2.131 0.030 . 2 . . . . 19 GLU HG2 . 11151 1 152 . 1 1 19 19 GLU HG3 H 1 2.191 0.030 . 2 . . . . 19 GLU HG3 . 11151 1 153 . 1 1 19 19 GLU C C 13 175.016 0.300 . 1 . . . . 19 GLU C . 11151 1 154 . 1 1 19 19 GLU CA C 13 53.853 0.300 . 1 . . . . 19 GLU CA . 11151 1 155 . 1 1 19 19 GLU CB C 13 31.764 0.300 . 1 . . . . 19 GLU CB . 11151 1 156 . 1 1 19 19 GLU CG C 13 35.517 0.300 . 1 . . . . 19 GLU CG . 11151 1 157 . 1 1 19 19 GLU N N 15 123.737 0.300 . 1 . . . . 19 GLU N . 11151 1 158 . 1 1 20 20 PHE H H 1 8.608 0.030 . 1 . . . . 20 PHE H . 11151 1 159 . 1 1 20 20 PHE HA H 1 4.772 0.030 . 1 . . . . 20 PHE HA . 11151 1 160 . 1 1 20 20 PHE HB2 H 1 2.654 0.030 . 2 . . . . 20 PHE HB2 . 11151 1 161 . 1 1 20 20 PHE HB3 H 1 2.992 0.030 . 2 . . . . 20 PHE HB3 . 11151 1 162 . 1 1 20 20 PHE HD1 H 1 6.886 0.030 . 1 . . . . 20 PHE HD1 . 11151 1 163 . 1 1 20 20 PHE HD2 H 1 6.886 0.030 . 1 . . . . 20 PHE HD2 . 11151 1 164 . 1 1 20 20 PHE HE1 H 1 6.928 0.030 . 1 . . . . 20 PHE HE1 . 11151 1 165 . 1 1 20 20 PHE HE2 H 1 6.928 0.030 . 1 . . . . 20 PHE HE2 . 11151 1 166 . 1 1 20 20 PHE HZ H 1 6.250 0.030 . 1 . . . . 20 PHE HZ . 11151 1 167 . 1 1 20 20 PHE C C 13 175.575 0.300 . 1 . . . . 20 PHE C . 11151 1 168 . 1 1 20 20 PHE CA C 13 60.375 0.300 . 1 . . . . 20 PHE CA . 11151 1 169 . 1 1 20 20 PHE CB C 13 40.443 0.300 . 1 . . . . 20 PHE CB . 11151 1 170 . 1 1 20 20 PHE CD1 C 13 131.111 0.300 . 1 . . . . 20 PHE CD1 . 11151 1 171 . 1 1 20 20 PHE CD2 C 13 131.111 0.300 . 1 . . . . 20 PHE CD2 . 11151 1 172 . 1 1 20 20 PHE CE1 C 13 131.889 0.300 . 1 . . . . 20 PHE CE1 . 11151 1 173 . 1 1 20 20 PHE CE2 C 13 131.889 0.300 . 1 . . . . 20 PHE CE2 . 11151 1 174 . 1 1 20 20 PHE CZ C 13 128.526 0.300 . 1 . . . . 20 PHE CZ . 11151 1 175 . 1 1 20 20 PHE N N 15 120.882 0.300 . 1 . . . . 20 PHE N . 11151 1 176 . 1 1 21 21 ILE H H 1 8.749 0.030 . 1 . . . . 21 ILE H . 11151 1 177 . 1 1 21 21 ILE HA H 1 4.914 0.030 . 1 . . . . 21 ILE HA . 11151 1 178 . 1 1 21 21 ILE HB H 1 1.897 0.030 . 1 . . . . 21 ILE HB . 11151 1 179 . 1 1 21 21 ILE HD11 H 1 0.884 0.030 . 1 . . . . 21 ILE HD1 . 11151 1 180 . 1 1 21 21 ILE HD12 H 1 0.884 0.030 . 1 . . . . 21 ILE HD1 . 11151 1 181 . 1 1 21 21 ILE HD13 H 1 0.884 0.030 . 1 . . . . 21 ILE HD1 . 11151 1 182 . 1 1 21 21 ILE HG12 H 1 1.650 0.030 . 2 . . . . 21 ILE HG12 . 11151 1 183 . 1 1 21 21 ILE HG13 H 1 1.325 0.030 . 2 . . . . 21 ILE HG13 . 11151 1 184 . 1 1 21 21 ILE HG21 H 1 1.042 0.030 . 1 . . . . 21 ILE HG2 . 11151 1 185 . 1 1 21 21 ILE HG22 H 1 1.042 0.030 . 1 . . . . 21 ILE HG2 . 11151 1 186 . 1 1 21 21 ILE HG23 H 1 1.042 0.030 . 1 . . . . 21 ILE HG2 . 11151 1 187 . 1 1 21 21 ILE C C 13 176.740 0.300 . 1 . . . . 21 ILE C . 11151 1 188 . 1 1 21 21 ILE CA C 13 59.387 0.300 . 1 . . . . 21 ILE CA . 11151 1 189 . 1 1 21 21 ILE CB C 13 41.664 0.300 . 1 . . . . 21 ILE CB . 11151 1 190 . 1 1 21 21 ILE CD1 C 13 13.689 0.300 . 1 . . . . 21 ILE CD1 . 11151 1 191 . 1 1 21 21 ILE CG1 C 13 27.519 0.300 . 1 . . . . 21 ILE CG1 . 11151 1 192 . 1 1 21 21 ILE CG2 C 13 17.643 0.300 . 1 . . . . 21 ILE CG2 . 11151 1 193 . 1 1 21 21 ILE N N 15 119.771 0.300 . 1 . . . . 21 ILE N . 11151 1 194 . 1 1 22 22 ALA H H 1 9.573 0.030 . 1 . . . . 22 ALA H . 11151 1 195 . 1 1 22 22 ALA HA H 1 4.312 0.030 . 1 . . . . 22 ALA HA . 11151 1 196 . 1 1 22 22 ALA HB1 H 1 1.303 0.030 . 1 . . . . 22 ALA HB . 11151 1 197 . 1 1 22 22 ALA HB2 H 1 1.303 0.030 . 1 . . . . 22 ALA HB . 11151 1 198 . 1 1 22 22 ALA HB3 H 1 1.303 0.030 . 1 . . . . 22 ALA HB . 11151 1 199 . 1 1 22 22 ALA C C 13 177.116 0.300 . 1 . . . . 22 ALA C . 11151 1 200 . 1 1 22 22 ALA CA C 13 53.392 0.300 . 1 . . . . 22 ALA CA . 11151 1 201 . 1 1 22 22 ALA CB C 13 18.231 0.300 . 1 . . . . 22 ALA CB . 11151 1 202 . 1 1 22 22 ALA N N 15 133.036 0.300 . 1 . . . . 22 ALA N . 11151 1 203 . 1 1 23 23 THR H H 1 8.193 0.030 . 1 . . . . 23 THR H . 11151 1 204 . 1 1 23 23 THR HA H 1 4.329 0.030 . 1 . . . . 23 THR HA . 11151 1 205 . 1 1 23 23 THR HB H 1 3.361 0.030 . 1 . . . . 23 THR HB . 11151 1 206 . 1 1 23 23 THR HG21 H 1 0.388 0.030 . 1 . . . . 23 THR HG2 . 11151 1 207 . 1 1 23 23 THR HG22 H 1 0.388 0.030 . 1 . . . . 23 THR HG2 . 11151 1 208 . 1 1 23 23 THR HG23 H 1 0.388 0.030 . 1 . . . . 23 THR HG2 . 11151 1 209 . 1 1 23 23 THR C C 13 170.810 0.300 . 1 . . . . 23 THR C . 11151 1 210 . 1 1 23 23 THR CA C 13 61.468 0.300 . 1 . . . . 23 THR CA . 11151 1 211 . 1 1 23 23 THR CB C 13 72.319 0.300 . 1 . . . . 23 THR CB . 11151 1 212 . 1 1 23 23 THR CG2 C 13 19.786 0.300 . 1 . . . . 23 THR CG2 . 11151 1 213 . 1 1 23 23 THR N N 15 119.251 0.300 . 1 . . . . 23 THR N . 11151 1 214 . 1 1 24 24 PHE H H 1 8.272 0.030 . 1 . . . . 24 PHE H . 11151 1 215 . 1 1 24 24 PHE HA H 1 4.653 0.030 . 1 . . . . 24 PHE HA . 11151 1 216 . 1 1 24 24 PHE HB2 H 1 2.920 0.030 . 2 . . . . 24 PHE HB2 . 11151 1 217 . 1 1 24 24 PHE HB3 H 1 2.850 0.030 . 2 . . . . 24 PHE HB3 . 11151 1 218 . 1 1 24 24 PHE HD1 H 1 7.147 0.030 . 1 . . . . 24 PHE HD1 . 11151 1 219 . 1 1 24 24 PHE HD2 H 1 7.147 0.030 . 1 . . . . 24 PHE HD2 . 11151 1 220 . 1 1 24 24 PHE HE1 H 1 7.264 0.030 . 1 . . . . 24 PHE HE1 . 11151 1 221 . 1 1 24 24 PHE HE2 H 1 7.264 0.030 . 1 . . . . 24 PHE HE2 . 11151 1 222 . 1 1 24 24 PHE HZ H 1 7.258 0.030 . 1 . . . . 24 PHE HZ . 11151 1 223 . 1 1 24 24 PHE C C 13 175.113 0.300 . 1 . . . . 24 PHE C . 11151 1 224 . 1 1 24 24 PHE CA C 13 56.869 0.300 . 1 . . . . 24 PHE CA . 11151 1 225 . 1 1 24 24 PHE CB C 13 40.035 0.300 . 1 . . . . 24 PHE CB . 11151 1 226 . 1 1 24 24 PHE CD1 C 13 131.853 0.300 . 1 . . . . 24 PHE CD1 . 11151 1 227 . 1 1 24 24 PHE CD2 C 13 131.853 0.300 . 1 . . . . 24 PHE CD2 . 11151 1 228 . 1 1 24 24 PHE CE1 C 13 131.574 0.300 . 1 . . . . 24 PHE CE1 . 11151 1 229 . 1 1 24 24 PHE CE2 C 13 131.574 0.300 . 1 . . . . 24 PHE CE2 . 11151 1 230 . 1 1 24 24 PHE CZ C 13 129.774 0.300 . 1 . . . . 24 PHE CZ . 11151 1 231 . 1 1 24 24 PHE N N 15 124.448 0.300 . 1 . . . . 24 PHE N . 11151 1 232 . 1 1 25 25 PHE H H 1 8.559 0.030 . 1 . . . . 25 PHE H . 11151 1 233 . 1 1 25 25 PHE HA H 1 4.629 0.030 . 1 . . . . 25 PHE HA . 11151 1 234 . 1 1 25 25 PHE HB2 H 1 3.270 0.030 . 2 . . . . 25 PHE HB2 . 11151 1 235 . 1 1 25 25 PHE HB3 H 1 2.875 0.030 . 2 . . . . 25 PHE HB3 . 11151 1 236 . 1 1 25 25 PHE HD1 H 1 7.222 0.030 . 1 . . . . 25 PHE HD1 . 11151 1 237 . 1 1 25 25 PHE HD2 H 1 7.222 0.030 . 1 . . . . 25 PHE HD2 . 11151 1 238 . 1 1 25 25 PHE HE1 H 1 7.010 0.030 . 1 . . . . 25 PHE HE1 . 11151 1 239 . 1 1 25 25 PHE HE2 H 1 7.010 0.030 . 1 . . . . 25 PHE HE2 . 11151 1 240 . 1 1 25 25 PHE HZ H 1 7.100 0.030 . 1 . . . . 25 PHE HZ . 11151 1 241 . 1 1 25 25 PHE CA C 13 58.053 0.300 . 1 . . . . 25 PHE CA . 11151 1 242 . 1 1 25 25 PHE CB C 13 39.468 0.300 . 1 . . . . 25 PHE CB . 11151 1 243 . 1 1 25 25 PHE CD1 C 13 132.418 0.300 . 1 . . . . 25 PHE CD1 . 11151 1 244 . 1 1 25 25 PHE CD2 C 13 132.418 0.300 . 1 . . . . 25 PHE CD2 . 11151 1 245 . 1 1 25 25 PHE CE1 C 13 130.441 0.300 . 1 . . . . 25 PHE CE1 . 11151 1 246 . 1 1 25 25 PHE CE2 C 13 130.441 0.300 . 1 . . . . 25 PHE CE2 . 11151 1 247 . 1 1 25 25 PHE CZ C 13 129.040 0.300 . 1 . . . . 25 PHE CZ . 11151 1 248 . 1 1 25 25 PHE N N 15 125.027 0.300 . 1 . . . . 25 PHE N . 11151 1 249 . 1 1 26 26 GLY H H 1 6.917 0.030 . 1 . . . . 26 GLY H . 11151 1 250 . 1 1 26 26 GLY HA2 H 1 3.853 0.030 . 2 . . . . 26 GLY HA2 . 11151 1 251 . 1 1 26 26 GLY HA3 H 1 4.187 0.030 . 2 . . . . 26 GLY HA3 . 11151 1 252 . 1 1 26 26 GLY C C 13 173.680 0.300 . 1 . . . . 26 GLY C . 11151 1 253 . 1 1 26 26 GLY CA C 13 45.637 0.300 . 1 . . . . 26 GLY CA . 11151 1 254 . 1 1 27 27 GLN H H 1 7.713 0.030 . 1 . . . . 27 GLN H . 11151 1 255 . 1 1 27 27 GLN HA H 1 4.572 0.030 . 1 . . . . 27 GLN HA . 11151 1 256 . 1 1 27 27 GLN HB2 H 1 1.784 0.030 . 2 . . . . 27 GLN HB2 . 11151 1 257 . 1 1 27 27 GLN HB3 H 1 2.018 0.030 . 2 . . . . 27 GLN HB3 . 11151 1 258 . 1 1 27 27 GLN HG2 H 1 2.273 0.030 . 2 . . . . 27 GLN HG2 . 11151 1 259 . 1 1 27 27 GLN HG3 H 1 2.211 0.030 . 2 . . . . 27 GLN HG3 . 11151 1 260 . 1 1 27 27 GLN C C 13 172.612 0.300 . 1 . . . . 27 GLN C . 11151 1 261 . 1 1 27 27 GLN CA C 13 52.663 0.300 . 1 . . . . 27 GLN CA . 11151 1 262 . 1 1 27 27 GLN CB C 13 29.466 0.300 . 1 . . . . 27 GLN CB . 11151 1 263 . 1 1 27 27 GLN CG C 13 32.936 0.300 . 1 . . . . 27 GLN CG . 11151 1 264 . 1 1 27 27 GLN N N 15 117.417 0.300 . 1 . . . . 27 GLN N . 11151 1 265 . 1 1 28 28 PRO HA H 1 3.976 0.030 . 1 . . . . 28 PRO HA . 11151 1 266 . 1 1 28 28 PRO HB2 H 1 1.270 0.030 . 1 . . . . 28 PRO HB2 . 11151 1 267 . 1 1 28 28 PRO HB3 H 1 1.270 0.030 . 1 . . . . 28 PRO HB3 . 11151 1 268 . 1 1 28 28 PRO HD2 H 1 3.205 0.030 . 2 . . . . 28 PRO HD2 . 11151 1 269 . 1 1 28 28 PRO HD3 H 1 2.830 0.030 . 2 . . . . 28 PRO HD3 . 11151 1 270 . 1 1 28 28 PRO HG2 H 1 1.534 0.030 . 2 . . . . 28 PRO HG2 . 11151 1 271 . 1 1 28 28 PRO HG3 H 1 0.726 0.030 . 2 . . . . 28 PRO HG3 . 11151 1 272 . 1 1 28 28 PRO CA C 13 63.740 0.300 . 1 . . . . 28 PRO CA . 11151 1 273 . 1 1 28 28 PRO CB C 13 31.040 0.300 . 1 . . . . 28 PRO CB . 11151 1 274 . 1 1 28 28 PRO CD C 13 49.949 0.300 . 1 . . . . 28 PRO CD . 11151 1 275 . 1 1 28 28 PRO CG C 13 26.765 0.300 . 1 . . . . 28 PRO CG . 11151 1 276 . 1 1 29 29 THR H H 1 7.734 0.030 . 1 . . . . 29 THR H . 11151 1 277 . 1 1 29 29 THR HA H 1 4.403 0.030 . 1 . . . . 29 THR HA . 11151 1 278 . 1 1 29 29 THR HB H 1 3.316 0.030 . 1 . . . . 29 THR HB . 11151 1 279 . 1 1 29 29 THR HG21 H 1 0.571 0.030 . 1 . . . . 29 THR HG2 . 11151 1 280 . 1 1 29 29 THR HG22 H 1 0.571 0.030 . 1 . . . . 29 THR HG2 . 11151 1 281 . 1 1 29 29 THR HG23 H 1 0.571 0.030 . 1 . . . . 29 THR HG2 . 11151 1 282 . 1 1 29 29 THR C C 13 172.169 0.300 . 1 . . . . 29 THR C . 11151 1 283 . 1 1 29 29 THR CA C 13 61.596 0.300 . 1 . . . . 29 THR CA . 11151 1 284 . 1 1 29 29 THR CB C 13 72.155 0.300 . 1 . . . . 29 THR CB . 11151 1 285 . 1 1 29 29 THR CG2 C 13 19.622 0.300 . 1 . . . . 29 THR CG2 . 11151 1 286 . 1 1 29 29 THR N N 15 121.640 0.300 . 1 . . . . 29 THR N . 11151 1 287 . 1 1 30 30 PHE H H 1 8.795 0.030 . 1 . . . . 30 PHE H . 11151 1 288 . 1 1 30 30 PHE HA H 1 3.941 0.030 . 1 . . . . 30 PHE HA . 11151 1 289 . 1 1 30 30 PHE HB2 H 1 2.642 0.030 . 1 . . . . 30 PHE HB2 . 11151 1 290 . 1 1 30 30 PHE HB3 H 1 2.642 0.030 . 1 . . . . 30 PHE HB3 . 11151 1 291 . 1 1 30 30 PHE HD1 H 1 6.720 0.030 . 1 . . . . 30 PHE HD1 . 11151 1 292 . 1 1 30 30 PHE HD2 H 1 6.720 0.030 . 1 . . . . 30 PHE HD2 . 11151 1 293 . 1 1 30 30 PHE HE1 H 1 7.041 0.030 . 1 . . . . 30 PHE HE1 . 11151 1 294 . 1 1 30 30 PHE HE2 H 1 7.041 0.030 . 1 . . . . 30 PHE HE2 . 11151 1 295 . 1 1 30 30 PHE HZ H 1 7.121 0.030 . 1 . . . . 30 PHE HZ . 11151 1 296 . 1 1 30 30 PHE C C 13 173.764 0.300 . 1 . . . . 30 PHE C . 11151 1 297 . 1 1 30 30 PHE CA C 13 58.560 0.300 . 1 . . . . 30 PHE CA . 11151 1 298 . 1 1 30 30 PHE CB C 13 40.149 0.300 . 1 . . . . 30 PHE CB . 11151 1 299 . 1 1 30 30 PHE CD1 C 13 131.326 0.300 . 1 . . . . 30 PHE CD1 . 11151 1 300 . 1 1 30 30 PHE CD2 C 13 131.326 0.300 . 1 . . . . 30 PHE CD2 . 11151 1 301 . 1 1 30 30 PHE CE1 C 13 131.308 0.300 . 1 . . . . 30 PHE CE1 . 11151 1 302 . 1 1 30 30 PHE CE2 C 13 131.308 0.300 . 1 . . . . 30 PHE CE2 . 11151 1 303 . 1 1 30 30 PHE CZ C 13 129.789 0.300 . 1 . . . . 30 PHE CZ . 11151 1 304 . 1 1 30 30 PHE N N 15 127.677 0.300 . 1 . . . . 30 PHE N . 11151 1 305 . 1 1 31 31 CYS H H 1 8.202 0.030 . 1 . . . . 31 CYS H . 11151 1 306 . 1 1 31 31 CYS HA H 1 4.379 0.030 . 1 . . . . 31 CYS HA . 11151 1 307 . 1 1 31 31 CYS HB2 H 1 2.057 0.030 . 2 . . . . 31 CYS HB2 . 11151 1 308 . 1 1 31 31 CYS HB3 H 1 3.292 0.030 . 2 . . . . 31 CYS HB3 . 11151 1 309 . 1 1 31 31 CYS C C 13 177.250 0.300 . 1 . . . . 31 CYS C . 11151 1 310 . 1 1 31 31 CYS CA C 13 57.856 0.300 . 1 . . . . 31 CYS CA . 11151 1 311 . 1 1 31 31 CYS CB C 13 30.701 0.300 . 1 . . . . 31 CYS CB . 11151 1 312 . 1 1 31 31 CYS N N 15 125.559 0.300 . 1 . . . . 31 CYS N . 11151 1 313 . 1 1 32 32 SER H H 1 9.149 0.030 . 1 . . . . 32 SER H . 11151 1 314 . 1 1 32 32 SER HA H 1 4.184 0.030 . 1 . . . . 32 SER HA . 11151 1 315 . 1 1 32 32 SER HB2 H 1 4.128 0.030 . 2 . . . . 32 SER HB2 . 11151 1 316 . 1 1 32 32 SER HB3 H 1 3.949 0.030 . 2 . . . . 32 SER HB3 . 11151 1 317 . 1 1 32 32 SER C C 13 174.530 0.300 . 1 . . . . 32 SER C . 11151 1 318 . 1 1 32 32 SER CA C 13 61.585 0.300 . 1 . . . . 32 SER CA . 11151 1 319 . 1 1 32 32 SER CB C 13 63.986 0.300 . 1 . . . . 32 SER CB . 11151 1 320 . 1 1 32 32 SER N N 15 124.147 0.300 . 1 . . . . 32 SER N . 11151 1 321 . 1 1 33 33 VAL H H 1 8.918 0.030 . 1 . . . . 33 VAL H . 11151 1 322 . 1 1 33 33 VAL HA H 1 4.046 0.030 . 1 . . . . 33 VAL HA . 11151 1 323 . 1 1 33 33 VAL HB H 1 2.086 0.030 . 1 . . . . 33 VAL HB . 11151 1 324 . 1 1 33 33 VAL HG11 H 1 0.956 0.030 . 1 . . . . 33 VAL HG1 . 11151 1 325 . 1 1 33 33 VAL HG12 H 1 0.956 0.030 . 1 . . . . 33 VAL HG1 . 11151 1 326 . 1 1 33 33 VAL HG13 H 1 0.956 0.030 . 1 . . . . 33 VAL HG1 . 11151 1 327 . 1 1 33 33 VAL HG21 H 1 0.954 0.030 . 1 . . . . 33 VAL HG2 . 11151 1 328 . 1 1 33 33 VAL HG22 H 1 0.954 0.030 . 1 . . . . 33 VAL HG2 . 11151 1 329 . 1 1 33 33 VAL HG23 H 1 0.954 0.030 . 1 . . . . 33 VAL HG2 . 11151 1 330 . 1 1 33 33 VAL C C 13 176.740 0.300 . 1 . . . . 33 VAL C . 11151 1 331 . 1 1 33 33 VAL CA C 13 65.230 0.300 . 1 . . . . 33 VAL CA . 11151 1 332 . 1 1 33 33 VAL CB C 13 33.174 0.300 . 1 . . . . 33 VAL CB . 11151 1 333 . 1 1 33 33 VAL CG1 C 13 20.970 0.300 . 2 . . . . 33 VAL CG1 . 11151 1 334 . 1 1 33 33 VAL CG2 C 13 22.375 0.300 . 2 . . . . 33 VAL CG2 . 11151 1 335 . 1 1 33 33 VAL N N 15 123.377 0.300 . 1 . . . . 33 VAL N . 11151 1 336 . 1 1 34 34 CYS H H 1 8.087 0.030 . 1 . . . . 34 CYS H . 11151 1 337 . 1 1 34 34 CYS HA H 1 4.794 0.030 . 1 . . . . 34 CYS HA . 11151 1 338 . 1 1 34 34 CYS HB2 H 1 2.902 0.030 . 2 . . . . 34 CYS HB2 . 11151 1 339 . 1 1 34 34 CYS HB3 H 1 3.242 0.030 . 2 . . . . 34 CYS HB3 . 11151 1 340 . 1 1 34 34 CYS C C 13 176.091 0.300 . 1 . . . . 34 CYS C . 11151 1 341 . 1 1 34 34 CYS CA C 13 59.176 0.300 . 1 . . . . 34 CYS CA . 11151 1 342 . 1 1 34 34 CYS CB C 13 31.100 0.300 . 1 . . . . 34 CYS CB . 11151 1 343 . 1 1 34 34 CYS N N 15 117.978 0.300 . 1 . . . . 34 CYS N . 11151 1 344 . 1 1 35 35 LYS H H 1 7.797 0.030 . 1 . . . . 35 LYS H . 11151 1 345 . 1 1 35 35 LYS HA H 1 3.780 0.030 . 1 . . . . 35 LYS HA . 11151 1 346 . 1 1 35 35 LYS HB2 H 1 2.180 0.030 . 2 . . . . 35 LYS HB2 . 11151 1 347 . 1 1 35 35 LYS HB3 H 1 1.933 0.030 . 2 . . . . 35 LYS HB3 . 11151 1 348 . 1 1 35 35 LYS HD2 H 1 1.590 0.030 . 1 . . . . 35 LYS HD2 . 11151 1 349 . 1 1 35 35 LYS HD3 H 1 1.590 0.030 . 1 . . . . 35 LYS HD3 . 11151 1 350 . 1 1 35 35 LYS HE2 H 1 2.948 0.030 . 1 . . . . 35 LYS HE2 . 11151 1 351 . 1 1 35 35 LYS HE3 H 1 2.948 0.030 . 1 . . . . 35 LYS HE3 . 11151 1 352 . 1 1 35 35 LYS HG2 H 1 1.302 0.030 . 2 . . . . 35 LYS HG2 . 11151 1 353 . 1 1 35 35 LYS HG3 H 1 1.208 0.030 . 2 . . . . 35 LYS HG3 . 11151 1 354 . 1 1 35 35 LYS C C 13 174.207 0.300 . 1 . . . . 35 LYS C . 11151 1 355 . 1 1 35 35 LYS CA C 13 57.773 0.300 . 1 . . . . 35 LYS CA . 11151 1 356 . 1 1 35 35 LYS CB C 13 28.764 0.300 . 1 . . . . 35 LYS CB . 11151 1 357 . 1 1 35 35 LYS CD C 13 28.751 0.300 . 1 . . . . 35 LYS CD . 11151 1 358 . 1 1 35 35 LYS CE C 13 42.134 0.300 . 1 . . . . 35 LYS CE . 11151 1 359 . 1 1 35 35 LYS CG C 13 25.121 0.300 . 1 . . . . 35 LYS CG . 11151 1 360 . 1 1 35 35 LYS N N 15 116.884 0.300 . 1 . . . . 35 LYS N . 11151 1 361 . 1 1 36 36 ASP H H 1 8.033 0.030 . 1 . . . . 36 ASP H . 11151 1 362 . 1 1 36 36 ASP HA H 1 4.989 0.030 . 1 . . . . 36 ASP HA . 11151 1 363 . 1 1 36 36 ASP HB2 H 1 2.845 0.030 . 1 . . . . 36 ASP HB2 . 11151 1 364 . 1 1 36 36 ASP HB3 H 1 2.845 0.030 . 1 . . . . 36 ASP HB3 . 11151 1 365 . 1 1 36 36 ASP C C 13 176.154 0.300 . 1 . . . . 36 ASP C . 11151 1 366 . 1 1 36 36 ASP CA C 13 52.369 0.300 . 1 . . . . 36 ASP CA . 11151 1 367 . 1 1 36 36 ASP CB C 13 43.529 0.300 . 1 . . . . 36 ASP CB . 11151 1 368 . 1 1 36 36 ASP N N 15 119.756 0.300 . 1 . . . . 36 ASP N . 11151 1 369 . 1 1 37 37 PHE H H 1 8.873 0.030 . 1 . . . . 37 PHE H . 11151 1 370 . 1 1 37 37 PHE HA H 1 4.435 0.030 . 1 . . . . 37 PHE HA . 11151 1 371 . 1 1 37 37 PHE HB2 H 1 2.507 0.030 . 2 . . . . 37 PHE HB2 . 11151 1 372 . 1 1 37 37 PHE HB3 H 1 2.713 0.030 . 2 . . . . 37 PHE HB3 . 11151 1 373 . 1 1 37 37 PHE HD1 H 1 6.878 0.030 . 1 . . . . 37 PHE HD1 . 11151 1 374 . 1 1 37 37 PHE HD2 H 1 6.878 0.030 . 1 . . . . 37 PHE HD2 . 11151 1 375 . 1 1 37 37 PHE HZ H 1 7.211 0.030 . 1 . . . . 37 PHE HZ . 11151 1 376 . 1 1 37 37 PHE CA C 13 58.644 0.300 . 1 . . . . 37 PHE CA . 11151 1 377 . 1 1 37 37 PHE CB C 13 40.257 0.300 . 1 . . . . 37 PHE CB . 11151 1 378 . 1 1 37 37 PHE CD1 C 13 130.988 0.300 . 1 . . . . 37 PHE CD1 . 11151 1 379 . 1 1 37 37 PHE CD2 C 13 130.988 0.300 . 1 . . . . 37 PHE CD2 . 11151 1 380 . 1 1 37 37 PHE CZ C 13 130.315 0.300 . 1 . . . . 37 PHE CZ . 11151 1 381 . 1 1 37 37 PHE N N 15 119.002 0.300 . 1 . . . . 37 PHE N . 11151 1 382 . 1 1 38 38 VAL H H 1 9.149 0.030 . 1 . . . . 38 VAL H . 11151 1 383 . 1 1 38 38 VAL HA H 1 4.072 0.030 . 1 . . . . 38 VAL HA . 11151 1 384 . 1 1 38 38 VAL HB H 1 1.544 0.030 . 1 . . . . 38 VAL HB . 11151 1 385 . 1 1 38 38 VAL HG11 H 1 0.649 0.030 . 1 . . . . 38 VAL HG1 . 11151 1 386 . 1 1 38 38 VAL HG12 H 1 0.649 0.030 . 1 . . . . 38 VAL HG1 . 11151 1 387 . 1 1 38 38 VAL HG13 H 1 0.649 0.030 . 1 . . . . 38 VAL HG1 . 11151 1 388 . 1 1 38 38 VAL HG21 H 1 0.015 0.030 . 1 . . . . 38 VAL HG2 . 11151 1 389 . 1 1 38 38 VAL HG22 H 1 0.015 0.030 . 1 . . . . 38 VAL HG2 . 11151 1 390 . 1 1 38 38 VAL HG23 H 1 0.015 0.030 . 1 . . . . 38 VAL HG2 . 11151 1 391 . 1 1 38 38 VAL CA C 13 61.754 0.300 . 1 . . . . 38 VAL CA . 11151 1 392 . 1 1 38 38 VAL CB C 13 30.972 0.300 . 1 . . . . 38 VAL CB . 11151 1 393 . 1 1 38 38 VAL CG1 C 13 21.573 0.300 . 2 . . . . 38 VAL CG1 . 11151 1 394 . 1 1 38 38 VAL CG2 C 13 19.070 0.300 . 2 . . . . 38 VAL CG2 . 11151 1 395 . 1 1 39 39 TRP H H 1 8.147 0.030 . 1 . . . . 39 TRP H . 11151 1 396 . 1 1 39 39 TRP HA H 1 4.876 0.030 . 1 . . . . 39 TRP HA . 11151 1 397 . 1 1 39 39 TRP HB2 H 1 3.176 0.030 . 2 . . . . 39 TRP HB2 . 11151 1 398 . 1 1 39 39 TRP HB3 H 1 3.285 0.030 . 2 . . . . 39 TRP HB3 . 11151 1 399 . 1 1 39 39 TRP HD1 H 1 7.189 0.030 . 1 . . . . 39 TRP HD1 . 11151 1 400 . 1 1 39 39 TRP HE1 H 1 10.117 0.030 . 1 . . . . 39 TRP HE1 . 11151 1 401 . 1 1 39 39 TRP HE3 H 1 7.619 0.030 . 1 . . . . 39 TRP HE3 . 11151 1 402 . 1 1 39 39 TRP HH2 H 1 7.092 0.030 . 1 . . . . 39 TRP HH2 . 11151 1 403 . 1 1 39 39 TRP HZ3 H 1 6.919 0.030 . 1 . . . . 39 TRP HZ3 . 11151 1 404 . 1 1 39 39 TRP CA C 13 56.606 0.300 . 1 . . . . 39 TRP CA . 11151 1 405 . 1 1 39 39 TRP CB C 13 30.733 0.300 . 1 . . . . 39 TRP CB . 11151 1 406 . 1 1 39 39 TRP CD1 C 13 126.818 0.300 . 1 . . . . 39 TRP CD1 . 11151 1 407 . 1 1 39 39 TRP CE3 C 13 120.954 0.300 . 1 . . . . 39 TRP CE3 . 11151 1 408 . 1 1 39 39 TRP CH2 C 13 124.810 0.300 . 1 . . . . 39 TRP CH2 . 11151 1 409 . 1 1 39 39 TRP CZ3 C 13 122.086 0.300 . 1 . . . . 39 TRP CZ3 . 11151 1 410 . 1 1 39 39 TRP NE1 N 15 129.841 0.300 . 1 . . . . 39 TRP NE1 . 11151 1 411 . 1 1 41 41 LEU H H 1 8.298 0.030 . 1 . . . . 41 LEU H . 11151 1 412 . 1 1 41 41 LEU HA H 1 4.118 0.030 . 1 . . . . 41 LEU HA . 11151 1 413 . 1 1 41 41 LEU HB2 H 1 1.620 0.030 . 2 . . . . 41 LEU HB2 . 11151 1 414 . 1 1 41 41 LEU HB3 H 1 1.547 0.030 . 2 . . . . 41 LEU HB3 . 11151 1 415 . 1 1 41 41 LEU HD11 H 1 0.903 0.030 . 1 . . . . 41 LEU HD1 . 11151 1 416 . 1 1 41 41 LEU HD12 H 1 0.903 0.030 . 1 . . . . 41 LEU HD1 . 11151 1 417 . 1 1 41 41 LEU HD13 H 1 0.903 0.030 . 1 . . . . 41 LEU HD1 . 11151 1 418 . 1 1 41 41 LEU HD21 H 1 0.840 0.030 . 1 . . . . 41 LEU HD2 . 11151 1 419 . 1 1 41 41 LEU HD22 H 1 0.840 0.030 . 1 . . . . 41 LEU HD2 . 11151 1 420 . 1 1 41 41 LEU HD23 H 1 0.840 0.030 . 1 . . . . 41 LEU HD2 . 11151 1 421 . 1 1 41 41 LEU HG H 1 1.640 0.030 . 1 . . . . 41 LEU HG . 11151 1 422 . 1 1 41 41 LEU CA C 13 56.595 0.300 . 1 . . . . 41 LEU CA . 11151 1 423 . 1 1 41 41 LEU CB C 13 41.948 0.300 . 1 . . . . 41 LEU CB . 11151 1 424 . 1 1 41 41 LEU CD1 C 13 24.767 0.300 . 2 . . . . 41 LEU CD1 . 11151 1 425 . 1 1 41 41 LEU CD2 C 13 23.398 0.300 . 2 . . . . 41 LEU CD2 . 11151 1 426 . 1 1 41 41 LEU CG C 13 27.127 0.300 . 1 . . . . 41 LEU CG . 11151 1 427 . 1 1 43 43 LYS H H 1 7.872 0.030 . 1 . . . . 43 LYS H . 11151 1 428 . 1 1 43 43 LYS HA H 1 4.263 0.030 . 1 . . . . 43 LYS HA . 11151 1 429 . 1 1 43 43 LYS HB2 H 1 1.668 0.030 . 2 . . . . 43 LYS HB2 . 11151 1 430 . 1 1 43 43 LYS HB3 H 1 1.960 0.030 . 2 . . . . 43 LYS HB3 . 11151 1 431 . 1 1 43 43 LYS HD2 H 1 1.580 0.030 . 2 . . . . 43 LYS HD2 . 11151 1 432 . 1 1 43 43 LYS HD3 H 1 1.510 0.030 . 2 . . . . 43 LYS HD3 . 11151 1 433 . 1 1 43 43 LYS HE2 H 1 2.813 0.030 . 2 . . . . 43 LYS HE2 . 11151 1 434 . 1 1 43 43 LYS HE3 H 1 2.596 0.030 . 2 . . . . 43 LYS HE3 . 11151 1 435 . 1 1 43 43 LYS HG2 H 1 1.051 0.030 . 2 . . . . 43 LYS HG2 . 11151 1 436 . 1 1 43 43 LYS HG3 H 1 1.260 0.030 . 2 . . . . 43 LYS HG3 . 11151 1 437 . 1 1 43 43 LYS C C 13 175.077 0.300 . 1 . . . . 43 LYS C . 11151 1 438 . 1 1 43 43 LYS CA C 13 56.179 0.300 . 1 . . . . 43 LYS CA . 11151 1 439 . 1 1 43 43 LYS CB C 13 32.396 0.300 . 1 . . . . 43 LYS CB . 11151 1 440 . 1 1 43 43 LYS CD C 13 29.375 0.300 . 1 . . . . 43 LYS CD . 11151 1 441 . 1 1 43 43 LYS CE C 13 42.134 0.300 . 1 . . . . 43 LYS CE . 11151 1 442 . 1 1 43 43 LYS CG C 13 25.090 0.300 . 1 . . . . 43 LYS CG . 11151 1 443 . 1 1 44 44 GLN H H 1 8.058 0.030 . 1 . . . . 44 GLN H . 11151 1 444 . 1 1 44 44 GLN HA H 1 4.356 0.030 . 1 . . . . 44 GLN HA . 11151 1 445 . 1 1 44 44 GLN HB2 H 1 1.988 0.030 . 2 . . . . 44 GLN HB2 . 11151 1 446 . 1 1 44 44 GLN HB3 H 1 1.817 0.030 . 2 . . . . 44 GLN HB3 . 11151 1 447 . 1 1 44 44 GLN HE21 H 1 6.824 0.030 . 2 . . . . 44 GLN HE21 . 11151 1 448 . 1 1 44 44 GLN HE22 H 1 7.145 0.030 . 2 . . . . 44 GLN HE22 . 11151 1 449 . 1 1 44 44 GLN HG2 H 1 1.986 0.030 . 1 . . . . 44 GLN HG2 . 11151 1 450 . 1 1 44 44 GLN HG3 H 1 1.986 0.030 . 1 . . . . 44 GLN HG3 . 11151 1 451 . 1 1 44 44 GLN C C 13 176.484 0.300 . 1 . . . . 44 GLN C . 11151 1 452 . 1 1 44 44 GLN CA C 13 55.683 0.300 . 1 . . . . 44 GLN CA . 11151 1 453 . 1 1 44 44 GLN CB C 13 29.984 0.300 . 1 . . . . 44 GLN CB . 11151 1 454 . 1 1 44 44 GLN CG C 13 34.070 0.300 . 1 . . . . 44 GLN CG . 11151 1 455 . 1 1 44 44 GLN N N 15 118.756 0.300 . 1 . . . . 44 GLN N . 11151 1 456 . 1 1 44 44 GLN NE2 N 15 112.451 0.300 . 1 . . . . 44 GLN NE2 . 11151 1 457 . 1 1 45 45 GLY H H 1 8.288 0.030 . 1 . . . . 45 GLY H . 11151 1 458 . 1 1 45 45 GLY HA2 H 1 4.242 0.030 . 2 . . . . 45 GLY HA2 . 11151 1 459 . 1 1 45 45 GLY HA3 H 1 4.054 0.030 . 2 . . . . 45 GLY HA3 . 11151 1 460 . 1 1 45 45 GLY C C 13 171.783 0.300 . 1 . . . . 45 GLY C . 11151 1 461 . 1 1 45 45 GLY CA C 13 45.370 0.300 . 1 . . . . 45 GLY CA . 11151 1 462 . 1 1 45 45 GLY N N 15 111.536 0.300 . 1 . . . . 45 GLY N . 11151 1 463 . 1 1 46 46 TYR H H 1 8.961 0.030 . 1 . . . . 46 TYR H . 11151 1 464 . 1 1 46 46 TYR HA H 1 5.454 0.030 . 1 . . . . 46 TYR HA . 11151 1 465 . 1 1 46 46 TYR HB2 H 1 2.344 0.030 . 2 . . . . 46 TYR HB2 . 11151 1 466 . 1 1 46 46 TYR HB3 H 1 2.728 0.030 . 2 . . . . 46 TYR HB3 . 11151 1 467 . 1 1 46 46 TYR HD1 H 1 6.567 0.030 . 1 . . . . 46 TYR HD1 . 11151 1 468 . 1 1 46 46 TYR HD2 H 1 6.567 0.030 . 1 . . . . 46 TYR HD2 . 11151 1 469 . 1 1 46 46 TYR HE1 H 1 6.614 0.030 . 1 . . . . 46 TYR HE1 . 11151 1 470 . 1 1 46 46 TYR HE2 H 1 6.614 0.030 . 1 . . . . 46 TYR HE2 . 11151 1 471 . 1 1 46 46 TYR C C 13 174.181 0.300 . 1 . . . . 46 TYR C . 11151 1 472 . 1 1 46 46 TYR CA C 13 56.200 0.300 . 1 . . . . 46 TYR CA . 11151 1 473 . 1 1 46 46 TYR CB C 13 42.909 0.300 . 1 . . . . 46 TYR CB . 11151 1 474 . 1 1 46 46 TYR CD1 C 13 132.053 0.300 . 1 . . . . 46 TYR CD1 . 11151 1 475 . 1 1 46 46 TYR CD2 C 13 132.053 0.300 . 1 . . . . 46 TYR CD2 . 11151 1 476 . 1 1 46 46 TYR CE1 C 13 118.416 0.300 . 1 . . . . 46 TYR CE1 . 11151 1 477 . 1 1 46 46 TYR CE2 C 13 118.416 0.300 . 1 . . . . 46 TYR CE2 . 11151 1 478 . 1 1 46 46 TYR N N 15 119.362 0.300 . 1 . . . . 46 TYR N . 11151 1 479 . 1 1 47 47 LYS H H 1 8.927 0.030 . 1 . . . . 47 LYS H . 11151 1 480 . 1 1 47 47 LYS HA H 1 5.910 0.030 . 1 . . . . 47 LYS HA . 11151 1 481 . 1 1 47 47 LYS HB2 H 1 1.966 0.030 . 2 . . . . 47 LYS HB2 . 11151 1 482 . 1 1 47 47 LYS HB3 H 1 1.738 0.030 . 2 . . . . 47 LYS HB3 . 11151 1 483 . 1 1 47 47 LYS HD2 H 1 1.786 0.030 . 2 . . . . 47 LYS HD2 . 11151 1 484 . 1 1 47 47 LYS HD3 H 1 1.712 0.030 . 2 . . . . 47 LYS HD3 . 11151 1 485 . 1 1 47 47 LYS HE2 H 1 3.025 0.030 . 2 . . . . 47 LYS HE2 . 11151 1 486 . 1 1 47 47 LYS HE3 H 1 2.987 0.030 . 2 . . . . 47 LYS HE3 . 11151 1 487 . 1 1 47 47 LYS HG2 H 1 1.403 0.030 . 2 . . . . 47 LYS HG2 . 11151 1 488 . 1 1 47 47 LYS HG3 H 1 1.292 0.030 . 2 . . . . 47 LYS HG3 . 11151 1 489 . 1 1 47 47 LYS C C 13 176.473 0.300 . 1 . . . . 47 LYS C . 11151 1 490 . 1 1 47 47 LYS CA C 13 54.522 0.300 . 1 . . . . 47 LYS CA . 11151 1 491 . 1 1 47 47 LYS CB C 13 37.347 0.300 . 1 . . . . 47 LYS CB . 11151 1 492 . 1 1 47 47 LYS CD C 13 29.928 0.300 . 1 . . . . 47 LYS CD . 11151 1 493 . 1 1 47 47 LYS CE C 13 42.011 0.300 . 1 . . . . 47 LYS CE . 11151 1 494 . 1 1 47 47 LYS CG C 13 24.950 0.300 . 1 . . . . 47 LYS CG . 11151 1 495 . 1 1 47 47 LYS N N 15 119.846 0.300 . 1 . . . . 47 LYS N . 11151 1 496 . 1 1 48 48 CYS H H 1 9.494 0.030 . 1 . . . . 48 CYS H . 11151 1 497 . 1 1 48 48 CYS HA H 1 4.546 0.030 . 1 . . . . 48 CYS HA . 11151 1 498 . 1 1 48 48 CYS HB2 H 1 2.176 0.030 . 2 . . . . 48 CYS HB2 . 11151 1 499 . 1 1 48 48 CYS HB3 H 1 3.200 0.030 . 2 . . . . 48 CYS HB3 . 11151 1 500 . 1 1 48 48 CYS C C 13 177.235 0.300 . 1 . . . . 48 CYS C . 11151 1 501 . 1 1 48 48 CYS CA C 13 58.157 0.300 . 1 . . . . 48 CYS CA . 11151 1 502 . 1 1 48 48 CYS CB C 13 29.988 0.300 . 1 . . . . 48 CYS CB . 11151 1 503 . 1 1 48 48 CYS N N 15 131.302 0.300 . 1 . . . . 48 CYS N . 11151 1 504 . 1 1 49 49 ARG H H 1 8.958 0.030 . 1 . . . . 49 ARG H . 11151 1 505 . 1 1 49 49 ARG HA H 1 4.403 0.030 . 1 . . . . 49 ARG HA . 11151 1 506 . 1 1 49 49 ARG HB2 H 1 2.131 0.030 . 2 . . . . 49 ARG HB2 . 11151 1 507 . 1 1 49 49 ARG HB3 H 1 1.959 0.030 . 2 . . . . 49 ARG HB3 . 11151 1 508 . 1 1 49 49 ARG HD2 H 1 3.215 0.030 . 2 . . . . 49 ARG HD2 . 11151 1 509 . 1 1 49 49 ARG HD3 H 1 3.137 0.030 . 2 . . . . 49 ARG HD3 . 11151 1 510 . 1 1 49 49 ARG HG2 H 1 1.732 0.030 . 2 . . . . 49 ARG HG2 . 11151 1 511 . 1 1 49 49 ARG HG3 H 1 2.040 0.030 . 2 . . . . 49 ARG HG3 . 11151 1 512 . 1 1 49 49 ARG C C 13 176.163 0.300 . 1 . . . . 49 ARG C . 11151 1 513 . 1 1 49 49 ARG CA C 13 58.280 0.300 . 1 . . . . 49 ARG CA . 11151 1 514 . 1 1 49 49 ARG CB C 13 30.737 0.300 . 1 . . . . 49 ARG CB . 11151 1 515 . 1 1 49 49 ARG CD C 13 44.248 0.300 . 1 . . . . 49 ARG CD . 11151 1 516 . 1 1 49 49 ARG CG C 13 26.272 0.300 . 1 . . . . 49 ARG CG . 11151 1 517 . 1 1 49 49 ARG N N 15 128.825 0.300 . 1 . . . . 49 ARG N . 11151 1 518 . 1 1 50 50 GLN H H 1 9.020 0.030 . 1 . . . . 50 GLN H . 11151 1 519 . 1 1 50 50 GLN HA H 1 4.558 0.030 . 1 . . . . 50 GLN HA . 11151 1 520 . 1 1 50 50 GLN HB2 H 1 2.010 0.030 . 2 . . . . 50 GLN HB2 . 11151 1 521 . 1 1 50 50 GLN HB3 H 1 1.907 0.030 . 2 . . . . 50 GLN HB3 . 11151 1 522 . 1 1 50 50 GLN HE21 H 1 6.680 0.030 . 2 . . . . 50 GLN HE21 . 11151 1 523 . 1 1 50 50 GLN HE22 H 1 7.587 0.030 . 2 . . . . 50 GLN HE22 . 11151 1 524 . 1 1 50 50 GLN HG2 H 1 2.114 0.030 . 2 . . . . 50 GLN HG2 . 11151 1 525 . 1 1 50 50 GLN HG3 H 1 2.447 0.030 . 2 . . . . 50 GLN HG3 . 11151 1 526 . 1 1 50 50 GLN C C 13 176.352 0.300 . 1 . . . . 50 GLN C . 11151 1 527 . 1 1 50 50 GLN CA C 13 56.915 0.300 . 1 . . . . 50 GLN CA . 11151 1 528 . 1 1 50 50 GLN CB C 13 30.380 0.300 . 1 . . . . 50 GLN CB . 11151 1 529 . 1 1 50 50 GLN CG C 13 32.384 0.300 . 1 . . . . 50 GLN CG . 11151 1 530 . 1 1 50 50 GLN N N 15 118.827 0.300 . 1 . . . . 50 GLN N . 11151 1 531 . 1 1 50 50 GLN NE2 N 15 111.518 0.300 . 1 . . . . 50 GLN NE2 . 11151 1 532 . 1 1 51 51 CYS H H 1 8.141 0.030 . 1 . . . . 51 CYS H . 11151 1 533 . 1 1 51 51 CYS HA H 1 4.942 0.030 . 1 . . . . 51 CYS HA . 11151 1 534 . 1 1 51 51 CYS HB2 H 1 2.785 0.030 . 2 . . . . 51 CYS HB2 . 11151 1 535 . 1 1 51 51 CYS HB3 H 1 3.395 0.030 . 2 . . . . 51 CYS HB3 . 11151 1 536 . 1 1 51 51 CYS C C 13 176.129 0.300 . 1 . . . . 51 CYS C . 11151 1 537 . 1 1 51 51 CYS CA C 13 58.446 0.300 . 1 . . . . 51 CYS CA . 11151 1 538 . 1 1 51 51 CYS CB C 13 33.212 0.300 . 1 . . . . 51 CYS CB . 11151 1 539 . 1 1 51 51 CYS N N 15 117.176 0.300 . 1 . . . . 51 CYS N . 11151 1 540 . 1 1 52 52 ASN H H 1 7.934 0.030 . 1 . . . . 52 ASN H . 11151 1 541 . 1 1 52 52 ASN HA H 1 4.606 0.030 . 1 . . . . 52 ASN HA . 11151 1 542 . 1 1 52 52 ASN HB2 H 1 3.205 0.030 . 2 . . . . 52 ASN HB2 . 11151 1 543 . 1 1 52 52 ASN HB3 H 1 3.109 0.030 . 2 . . . . 52 ASN HB3 . 11151 1 544 . 1 1 52 52 ASN HD21 H 1 6.870 0.030 . 2 . . . . 52 ASN HD21 . 11151 1 545 . 1 1 52 52 ASN HD22 H 1 7.499 0.030 . 2 . . . . 52 ASN HD22 . 11151 1 546 . 1 1 52 52 ASN C C 13 173.935 0.300 . 1 . . . . 52 ASN C . 11151 1 547 . 1 1 52 52 ASN CA C 13 55.668 0.300 . 1 . . . . 52 ASN CA . 11151 1 548 . 1 1 52 52 ASN CB C 13 37.798 0.300 . 1 . . . . 52 ASN CB . 11151 1 549 . 1 1 52 52 ASN N N 15 116.818 0.300 . 1 . . . . 52 ASN N . 11151 1 550 . 1 1 52 52 ASN ND2 N 15 113.227 0.300 . 1 . . . . 52 ASN ND2 . 11151 1 551 . 1 1 53 53 ALA H H 1 8.670 0.030 . 1 . . . . 53 ALA H . 11151 1 552 . 1 1 53 53 ALA HA H 1 4.255 0.030 . 1 . . . . 53 ALA HA . 11151 1 553 . 1 1 53 53 ALA HB1 H 1 1.452 0.030 . 1 . . . . 53 ALA HB . 11151 1 554 . 1 1 53 53 ALA HB2 H 1 1.452 0.030 . 1 . . . . 53 ALA HB . 11151 1 555 . 1 1 53 53 ALA HB3 H 1 1.452 0.030 . 1 . . . . 53 ALA HB . 11151 1 556 . 1 1 53 53 ALA C C 13 175.892 0.300 . 1 . . . . 53 ALA C . 11151 1 557 . 1 1 53 53 ALA CA C 13 54.443 0.300 . 1 . . . . 53 ALA CA . 11151 1 558 . 1 1 53 53 ALA CB C 13 19.314 0.300 . 1 . . . . 53 ALA CB . 11151 1 559 . 1 1 53 53 ALA N N 15 124.328 0.300 . 1 . . . . 53 ALA N . 11151 1 560 . 1 1 54 54 ALA H H 1 8.567 0.030 . 1 . . . . 54 ALA H . 11151 1 561 . 1 1 54 54 ALA HA H 1 5.585 0.030 . 1 . . . . 54 ALA HA . 11151 1 562 . 1 1 54 54 ALA HB1 H 1 1.219 0.030 . 1 . . . . 54 ALA HB . 11151 1 563 . 1 1 54 54 ALA HB2 H 1 1.219 0.030 . 1 . . . . 54 ALA HB . 11151 1 564 . 1 1 54 54 ALA HB3 H 1 1.219 0.030 . 1 . . . . 54 ALA HB . 11151 1 565 . 1 1 54 54 ALA CA C 13 50.243 0.300 . 1 . . . . 54 ALA CA . 11151 1 566 . 1 1 54 54 ALA CB C 13 22.907 0.300 . 1 . . . . 54 ALA CB . 11151 1 567 . 1 1 54 54 ALA N N 15 125.019 0.300 . 1 . . . . 54 ALA N . 11151 1 568 . 1 1 55 55 ILE H H 1 8.898 0.030 . 1 . . . . 55 ILE H . 11151 1 569 . 1 1 55 55 ILE HA H 1 5.819 0.030 . 1 . . . . 55 ILE HA . 11151 1 570 . 1 1 55 55 ILE HB H 1 1.648 0.030 . 1 . . . . 55 ILE HB . 11151 1 571 . 1 1 55 55 ILE HD11 H 1 -0.040 0.030 . 1 . . . . 55 ILE HD1 . 11151 1 572 . 1 1 55 55 ILE HD12 H 1 -0.040 0.030 . 1 . . . . 55 ILE HD1 . 11151 1 573 . 1 1 55 55 ILE HD13 H 1 -0.040 0.030 . 1 . . . . 55 ILE HD1 . 11151 1 574 . 1 1 55 55 ILE HG12 H 1 1.250 0.030 . 2 . . . . 55 ILE HG12 . 11151 1 575 . 1 1 55 55 ILE HG13 H 1 0.609 0.030 . 2 . . . . 55 ILE HG13 . 11151 1 576 . 1 1 55 55 ILE HG21 H 1 0.591 0.030 . 1 . . . . 55 ILE HG2 . 11151 1 577 . 1 1 55 55 ILE HG22 H 1 0.591 0.030 . 1 . . . . 55 ILE HG2 . 11151 1 578 . 1 1 55 55 ILE HG23 H 1 0.591 0.030 . 1 . . . . 55 ILE HG2 . 11151 1 579 . 1 1 55 55 ILE C C 13 176.035 0.300 . 1 . . . . 55 ILE C . 11151 1 580 . 1 1 55 55 ILE CA C 13 58.547 0.300 . 1 . . . . 55 ILE CA . 11151 1 581 . 1 1 55 55 ILE CB C 13 43.941 0.300 . 1 . . . . 55 ILE CB . 11151 1 582 . 1 1 55 55 ILE CD1 C 13 13.704 0.300 . 1 . . . . 55 ILE CD1 . 11151 1 583 . 1 1 55 55 ILE CG1 C 13 26.672 0.300 . 1 . . . . 55 ILE CG1 . 11151 1 584 . 1 1 55 55 ILE CG2 C 13 18.800 0.300 . 1 . . . . 55 ILE CG2 . 11151 1 585 . 1 1 55 55 ILE N N 15 114.073 0.300 . 1 . . . . 55 ILE N . 11151 1 586 . 1 1 56 56 HIS H H 1 8.082 0.030 . 1 . . . . 56 HIS H . 11151 1 587 . 1 1 56 56 HIS HA H 1 4.610 0.030 . 1 . . . . 56 HIS HA . 11151 1 588 . 1 1 56 56 HIS HB2 H 1 3.708 0.030 . 2 . . . . 56 HIS HB2 . 11151 1 589 . 1 1 56 56 HIS HB3 H 1 3.666 0.030 . 2 . . . . 56 HIS HB3 . 11151 1 590 . 1 1 56 56 HIS HD2 H 1 7.528 0.030 . 1 . . . . 56 HIS HD2 . 11151 1 591 . 1 1 56 56 HIS HE1 H 1 7.149 0.030 . 1 . . . . 56 HIS HE1 . 11151 1 592 . 1 1 56 56 HIS C C 13 177.930 0.300 . 1 . . . . 56 HIS C . 11151 1 593 . 1 1 56 56 HIS CA C 13 58.852 0.300 . 1 . . . . 56 HIS CA . 11151 1 594 . 1 1 56 56 HIS CB C 13 31.732 0.300 . 1 . . . . 56 HIS CB . 11151 1 595 . 1 1 56 56 HIS CD2 C 13 119.323 0.300 . 1 . . . . 56 HIS CD2 . 11151 1 596 . 1 1 56 56 HIS CE1 C 13 138.616 0.300 . 1 . . . . 56 HIS CE1 . 11151 1 597 . 1 1 56 56 HIS N N 15 119.525 0.300 . 1 . . . . 56 HIS N . 11151 1 598 . 1 1 57 57 LYS H H 1 8.830 0.030 . 1 . . . . 57 LYS H . 11151 1 599 . 1 1 57 57 LYS HA H 1 3.935 0.030 . 1 . . . . 57 LYS HA . 11151 1 600 . 1 1 57 57 LYS HB2 H 1 1.844 0.030 . 2 . . . . 57 LYS HB2 . 11151 1 601 . 1 1 57 57 LYS HB3 H 1 1.744 0.030 . 2 . . . . 57 LYS HB3 . 11151 1 602 . 1 1 57 57 LYS HD2 H 1 1.543 0.030 . 1 . . . . 57 LYS HD2 . 11151 1 603 . 1 1 57 57 LYS HD3 H 1 1.543 0.030 . 1 . . . . 57 LYS HD3 . 11151 1 604 . 1 1 57 57 LYS HE2 H 1 2.816 0.030 . 1 . . . . 57 LYS HE2 . 11151 1 605 . 1 1 57 57 LYS HE3 H 1 2.816 0.030 . 1 . . . . 57 LYS HE3 . 11151 1 606 . 1 1 57 57 LYS HG2 H 1 1.270 0.030 . 2 . . . . 57 LYS HG2 . 11151 1 607 . 1 1 57 57 LYS HG3 H 1 1.042 0.030 . 2 . . . . 57 LYS HG3 . 11151 1 608 . 1 1 57 57 LYS C C 13 179.897 0.300 . 1 . . . . 57 LYS C . 11151 1 609 . 1 1 57 57 LYS CA C 13 60.258 0.300 . 1 . . . . 57 LYS CA . 11151 1 610 . 1 1 57 57 LYS CB C 13 32.071 0.300 . 1 . . . . 57 LYS CB . 11151 1 611 . 1 1 57 57 LYS CD C 13 29.598 0.300 . 1 . . . . 57 LYS CD . 11151 1 612 . 1 1 57 57 LYS CE C 13 42.099 0.300 . 1 . . . . 57 LYS CE . 11151 1 613 . 1 1 57 57 LYS CG C 13 25.103 0.300 . 1 . . . . 57 LYS CG . 11151 1 614 . 1 1 57 57 LYS N N 15 123.798 0.300 . 1 . . . . 57 LYS N . 11151 1 615 . 1 1 58 58 LYS H H 1 8.408 0.030 . 1 . . . . 58 LYS H . 11151 1 616 . 1 1 58 58 LYS HA H 1 4.281 0.030 . 1 . . . . 58 LYS HA . 11151 1 617 . 1 1 58 58 LYS HB2 H 1 1.904 0.030 . 1 . . . . 58 LYS HB2 . 11151 1 618 . 1 1 58 58 LYS HB3 H 1 1.904 0.030 . 1 . . . . 58 LYS HB3 . 11151 1 619 . 1 1 58 58 LYS HD2 H 1 1.583 0.030 . 1 . . . . 58 LYS HD2 . 11151 1 620 . 1 1 58 58 LYS HD3 H 1 1.583 0.030 . 1 . . . . 58 LYS HD3 . 11151 1 621 . 1 1 58 58 LYS HE2 H 1 2.698 0.030 . 2 . . . . 58 LYS HE2 . 11151 1 622 . 1 1 58 58 LYS HE3 H 1 2.518 0.030 . 2 . . . . 58 LYS HE3 . 11151 1 623 . 1 1 58 58 LYS HG2 H 1 1.397 0.030 . 2 . . . . 58 LYS HG2 . 11151 1 624 . 1 1 58 58 LYS HG3 H 1 1.606 0.030 . 2 . . . . 58 LYS HG3 . 11151 1 625 . 1 1 58 58 LYS C C 13 177.202 0.300 . 1 . . . . 58 LYS C . 11151 1 626 . 1 1 58 58 LYS CA C 13 57.824 0.300 . 1 . . . . 58 LYS CA . 11151 1 627 . 1 1 58 58 LYS CB C 13 31.620 0.300 . 1 . . . . 58 LYS CB . 11151 1 628 . 1 1 58 58 LYS CD C 13 29.427 0.300 . 1 . . . . 58 LYS CD . 11151 1 629 . 1 1 58 58 LYS CE C 13 42.045 0.300 . 1 . . . . 58 LYS CE . 11151 1 630 . 1 1 58 58 LYS CG C 13 25.279 0.300 . 1 . . . . 58 LYS CG . 11151 1 631 . 1 1 58 58 LYS N N 15 113.672 0.300 . 1 . . . . 58 LYS N . 11151 1 632 . 1 1 59 59 CYS H H 1 7.316 0.030 . 1 . . . . 59 CYS H . 11151 1 633 . 1 1 59 59 CYS HA H 1 4.192 0.030 . 1 . . . . 59 CYS HA . 11151 1 634 . 1 1 59 59 CYS HB2 H 1 3.033 0.030 . 2 . . . . 59 CYS HB2 . 11151 1 635 . 1 1 59 59 CYS HB3 H 1 2.814 0.030 . 2 . . . . 59 CYS HB3 . 11151 1 636 . 1 1 59 59 CYS C C 13 175.939 0.300 . 1 . . . . 59 CYS C . 11151 1 637 . 1 1 59 59 CYS CA C 13 61.853 0.300 . 1 . . . . 59 CYS CA . 11151 1 638 . 1 1 59 59 CYS CB C 13 30.181 0.300 . 1 . . . . 59 CYS CB . 11151 1 639 . 1 1 59 59 CYS N N 15 118.880 0.300 . 1 . . . . 59 CYS N . 11151 1 640 . 1 1 60 60 ILE H H 1 6.913 0.030 . 1 . . . . 60 ILE H . 11151 1 641 . 1 1 60 60 ILE HA H 1 3.442 0.030 . 1 . . . . 60 ILE HA . 11151 1 642 . 1 1 60 60 ILE HB H 1 1.421 0.030 . 1 . . . . 60 ILE HB . 11151 1 643 . 1 1 60 60 ILE HD11 H 1 -0.119 0.030 . 1 . . . . 60 ILE HD1 . 11151 1 644 . 1 1 60 60 ILE HD12 H 1 -0.119 0.030 . 1 . . . . 60 ILE HD1 . 11151 1 645 . 1 1 60 60 ILE HD13 H 1 -0.119 0.030 . 1 . . . . 60 ILE HD1 . 11151 1 646 . 1 1 60 60 ILE HG12 H 1 0.899 0.030 . 2 . . . . 60 ILE HG12 . 11151 1 647 . 1 1 60 60 ILE HG13 H 1 0.794 0.030 . 2 . . . . 60 ILE HG13 . 11151 1 648 . 1 1 60 60 ILE HG21 H 1 0.789 0.030 . 1 . . . . 60 ILE HG2 . 11151 1 649 . 1 1 60 60 ILE HG22 H 1 0.789 0.030 . 1 . . . . 60 ILE HG2 . 11151 1 650 . 1 1 60 60 ILE HG23 H 1 0.789 0.030 . 1 . . . . 60 ILE HG2 . 11151 1 651 . 1 1 60 60 ILE C C 13 174.773 0.300 . 1 . . . . 60 ILE C . 11151 1 652 . 1 1 60 60 ILE CA C 13 64.485 0.300 . 1 . . . . 60 ILE CA . 11151 1 653 . 1 1 60 60 ILE CB C 13 38.418 0.300 . 1 . . . . 60 ILE CB . 11151 1 654 . 1 1 60 60 ILE CD1 C 13 12.812 0.300 . 1 . . . . 60 ILE CD1 . 11151 1 655 . 1 1 60 60 ILE CG1 C 13 29.351 0.300 . 1 . . . . 60 ILE CG1 . 11151 1 656 . 1 1 60 60 ILE CG2 C 13 16.574 0.300 . 1 . . . . 60 ILE CG2 . 11151 1 657 . 1 1 60 60 ILE N N 15 119.759 0.300 . 1 . . . . 60 ILE N . 11151 1 658 . 1 1 61 61 ASP H H 1 7.634 0.030 . 1 . . . . 61 ASP H . 11151 1 659 . 1 1 61 61 ASP HA H 1 4.595 0.030 . 1 . . . . 61 ASP HA . 11151 1 660 . 1 1 61 61 ASP HB2 H 1 2.701 0.030 . 2 . . . . 61 ASP HB2 . 11151 1 661 . 1 1 61 61 ASP HB3 H 1 2.608 0.030 . 2 . . . . 61 ASP HB3 . 11151 1 662 . 1 1 61 61 ASP C C 13 176.862 0.300 . 1 . . . . 61 ASP C . 11151 1 663 . 1 1 61 61 ASP CA C 13 54.908 0.300 . 1 . . . . 61 ASP CA . 11151 1 664 . 1 1 61 61 ASP CB C 13 40.630 0.300 . 1 . . . . 61 ASP CB . 11151 1 665 . 1 1 61 61 ASP N N 15 116.640 0.300 . 1 . . . . 61 ASP N . 11151 1 666 . 1 1 62 62 LYS H H 1 7.518 0.030 . 1 . . . . 62 LYS H . 11151 1 667 . 1 1 62 62 LYS HA H 1 4.443 0.030 . 1 . . . . 62 LYS HA . 11151 1 668 . 1 1 62 62 LYS HB2 H 1 1.659 0.030 . 2 . . . . 62 LYS HB2 . 11151 1 669 . 1 1 62 62 LYS HB3 H 1 2.068 0.030 . 2 . . . . 62 LYS HB3 . 11151 1 670 . 1 1 62 62 LYS HD2 H 1 1.672 0.030 . 2 . . . . 62 LYS HD2 . 11151 1 671 . 1 1 62 62 LYS HD3 H 1 1.606 0.030 . 2 . . . . 62 LYS HD3 . 11151 1 672 . 1 1 62 62 LYS HE2 H 1 2.980 0.030 . 1 . . . . 62 LYS HE2 . 11151 1 673 . 1 1 62 62 LYS HE3 H 1 2.980 0.030 . 1 . . . . 62 LYS HE3 . 11151 1 674 . 1 1 62 62 LYS HG2 H 1 1.423 0.030 . 2 . . . . 62 LYS HG2 . 11151 1 675 . 1 1 62 62 LYS HG3 H 1 1.297 0.030 . 2 . . . . 62 LYS HG3 . 11151 1 676 . 1 1 62 62 LYS C C 13 175.477 0.300 . 1 . . . . 62 LYS C . 11151 1 677 . 1 1 62 62 LYS CA C 13 54.931 0.300 . 1 . . . . 62 LYS CA . 11151 1 678 . 1 1 62 62 LYS CB C 13 33.581 0.300 . 1 . . . . 62 LYS CB . 11151 1 679 . 1 1 62 62 LYS CD C 13 28.991 0.300 . 1 . . . . 62 LYS CD . 11151 1 680 . 1 1 62 62 LYS CE C 13 42.307 0.300 . 1 . . . . 62 LYS CE . 11151 1 681 . 1 1 62 62 LYS CG C 13 24.940 0.300 . 1 . . . . 62 LYS CG . 11151 1 682 . 1 1 62 62 LYS N N 15 118.122 0.300 . 1 . . . . 62 LYS N . 11151 1 683 . 1 1 63 63 ILE H H 1 6.997 0.030 . 1 . . . . 63 ILE H . 11151 1 684 . 1 1 63 63 ILE HA H 1 3.886 0.030 . 1 . . . . 63 ILE HA . 11151 1 685 . 1 1 63 63 ILE HB H 1 1.738 0.030 . 1 . . . . 63 ILE HB . 11151 1 686 . 1 1 63 63 ILE HD11 H 1 0.763 0.030 . 1 . . . . 63 ILE HD1 . 11151 1 687 . 1 1 63 63 ILE HD12 H 1 0.763 0.030 . 1 . . . . 63 ILE HD1 . 11151 1 688 . 1 1 63 63 ILE HD13 H 1 0.763 0.030 . 1 . . . . 63 ILE HD1 . 11151 1 689 . 1 1 63 63 ILE HG12 H 1 1.585 0.030 . 2 . . . . 63 ILE HG12 . 11151 1 690 . 1 1 63 63 ILE HG13 H 1 1.234 0.030 . 2 . . . . 63 ILE HG13 . 11151 1 691 . 1 1 63 63 ILE HG21 H 1 0.981 0.030 . 1 . . . . 63 ILE HG2 . 11151 1 692 . 1 1 63 63 ILE HG22 H 1 0.981 0.030 . 1 . . . . 63 ILE HG2 . 11151 1 693 . 1 1 63 63 ILE HG23 H 1 0.981 0.030 . 1 . . . . 63 ILE HG2 . 11151 1 694 . 1 1 63 63 ILE C C 13 175.356 0.300 . 1 . . . . 63 ILE C . 11151 1 695 . 1 1 63 63 ILE CA C 13 61.946 0.300 . 1 . . . . 63 ILE CA . 11151 1 696 . 1 1 63 63 ILE CB C 13 38.180 0.300 . 1 . . . . 63 ILE CB . 11151 1 697 . 1 1 63 63 ILE CD1 C 13 13.950 0.300 . 1 . . . . 63 ILE CD1 . 11151 1 698 . 1 1 63 63 ILE CG1 C 13 28.499 0.300 . 1 . . . . 63 ILE CG1 . 11151 1 699 . 1 1 63 63 ILE CG2 C 13 17.466 0.300 . 1 . . . . 63 ILE CG2 . 11151 1 700 . 1 1 63 63 ILE N N 15 119.586 0.300 . 1 . . . . 63 ILE N . 11151 1 701 . 1 1 64 64 ILE H H 1 8.567 0.030 . 1 . . . . 64 ILE H . 11151 1 702 . 1 1 64 64 ILE HA H 1 4.291 0.030 . 1 . . . . 64 ILE HA . 11151 1 703 . 1 1 64 64 ILE HB H 1 1.882 0.030 . 1 . . . . 64 ILE HB . 11151 1 704 . 1 1 64 64 ILE HD11 H 1 0.889 0.030 . 1 . . . . 64 ILE HD1 . 11151 1 705 . 1 1 64 64 ILE HD12 H 1 0.889 0.030 . 1 . . . . 64 ILE HD1 . 11151 1 706 . 1 1 64 64 ILE HD13 H 1 0.889 0.030 . 1 . . . . 64 ILE HD1 . 11151 1 707 . 1 1 64 64 ILE HG12 H 1 1.590 0.030 . 2 . . . . 64 ILE HG12 . 11151 1 708 . 1 1 64 64 ILE HG13 H 1 1.226 0.030 . 2 . . . . 64 ILE HG13 . 11151 1 709 . 1 1 64 64 ILE HG21 H 1 0.939 0.030 . 1 . . . . 64 ILE HG2 . 11151 1 710 . 1 1 64 64 ILE HG22 H 1 0.939 0.030 . 1 . . . . 64 ILE HG2 . 11151 1 711 . 1 1 64 64 ILE HG23 H 1 0.939 0.030 . 1 . . . . 64 ILE HG2 . 11151 1 712 . 1 1 64 64 ILE C C 13 176.724 0.300 . 1 . . . . 64 ILE C . 11151 1 713 . 1 1 64 64 ILE CA C 13 61.168 0.300 . 1 . . . . 64 ILE CA . 11151 1 714 . 1 1 64 64 ILE CB C 13 40.173 0.300 . 1 . . . . 64 ILE CB . 11151 1 715 . 1 1 64 64 ILE CD1 C 13 12.992 0.300 . 1 . . . . 64 ILE CD1 . 11151 1 716 . 1 1 64 64 ILE CG1 C 13 27.051 0.300 . 1 . . . . 64 ILE CG1 . 11151 1 717 . 1 1 64 64 ILE CG2 C 13 17.489 0.300 . 1 . . . . 64 ILE CG2 . 11151 1 718 . 1 1 64 64 ILE N N 15 126.337 0.300 . 1 . . . . 64 ILE N . 11151 1 719 . 1 1 65 65 GLY H H 1 8.406 0.030 . 1 . . . . 65 GLY H . 11151 1 720 . 1 1 65 65 GLY HA2 H 1 4.060 0.030 . 2 . . . . 65 GLY HA2 . 11151 1 721 . 1 1 65 65 GLY HA3 H 1 3.926 0.030 . 2 . . . . 65 GLY HA3 . 11151 1 722 . 1 1 65 65 GLY C C 13 173.079 0.300 . 1 . . . . 65 GLY C . 11151 1 723 . 1 1 65 65 GLY CA C 13 45.129 0.300 . 1 . . . . 65 GLY CA . 11151 1 724 . 1 1 65 65 GLY N N 15 111.485 0.300 . 1 . . . . 65 GLY N . 11151 1 725 . 1 1 66 66 ARG H H 1 8.217 0.030 . 1 . . . . 66 ARG H . 11151 1 726 . 1 1 66 66 ARG HA H 1 4.767 0.030 . 1 . . . . 66 ARG HA . 11151 1 727 . 1 1 66 66 ARG HB2 H 1 1.646 0.030 . 1 . . . . 66 ARG HB2 . 11151 1 728 . 1 1 66 66 ARG HB3 H 1 1.646 0.030 . 1 . . . . 66 ARG HB3 . 11151 1 729 . 1 1 66 66 ARG HD2 H 1 3.113 0.030 . 1 . . . . 66 ARG HD2 . 11151 1 730 . 1 1 66 66 ARG HD3 H 1 3.113 0.030 . 1 . . . . 66 ARG HD3 . 11151 1 731 . 1 1 66 66 ARG HG2 H 1 1.543 0.030 . 2 . . . . 66 ARG HG2 . 11151 1 732 . 1 1 66 66 ARG HG3 H 1 1.506 0.030 . 2 . . . . 66 ARG HG3 . 11151 1 733 . 1 1 66 66 ARG C C 13 176.427 0.300 . 1 . . . . 66 ARG C . 11151 1 734 . 1 1 66 66 ARG CA C 13 54.908 0.300 . 1 . . . . 66 ARG CA . 11151 1 735 . 1 1 66 66 ARG CB C 13 31.906 0.300 . 1 . . . . 66 ARG CB . 11151 1 736 . 1 1 66 66 ARG CD C 13 43.462 0.300 . 1 . . . . 66 ARG CD . 11151 1 737 . 1 1 66 66 ARG CG C 13 27.373 0.300 . 1 . . . . 66 ARG CG . 11151 1 738 . 1 1 66 66 ARG N N 15 121.153 0.300 . 1 . . . . 66 ARG N . 11151 1 739 . 1 1 67 67 CYS H H 1 7.478 0.030 . 1 . . . . 67 CYS H . 11151 1 740 . 1 1 67 67 CYS HA H 1 3.477 0.030 . 1 . . . . 67 CYS HA . 11151 1 741 . 1 1 67 67 CYS HB2 H 1 1.205 0.030 . 2 . . . . 67 CYS HB2 . 11151 1 742 . 1 1 67 67 CYS HB3 H 1 2.211 0.030 . 2 . . . . 67 CYS HB3 . 11151 1 743 . 1 1 67 67 CYS C C 13 176.813 0.300 . 1 . . . . 67 CYS C . 11151 1 744 . 1 1 67 67 CYS CA C 13 62.328 0.300 . 1 . . . . 67 CYS CA . 11151 1 745 . 1 1 67 67 CYS CB C 13 29.313 0.300 . 1 . . . . 67 CYS CB . 11151 1 746 . 1 1 67 67 CYS N N 15 124.226 0.300 . 1 . . . . 67 CYS N . 11151 1 747 . 1 1 68 68 THR H H 1 8.496 0.030 . 1 . . . . 68 THR H . 11151 1 748 . 1 1 68 68 THR HA H 1 4.322 0.030 . 1 . . . . 68 THR HA . 11151 1 749 . 1 1 68 68 THR HB H 1 4.508 0.030 . 1 . . . . 68 THR HB . 11151 1 750 . 1 1 68 68 THR HG21 H 1 1.283 0.030 . 1 . . . . 68 THR HG2 . 11151 1 751 . 1 1 68 68 THR HG22 H 1 1.283 0.030 . 1 . . . . 68 THR HG2 . 11151 1 752 . 1 1 68 68 THR HG23 H 1 1.283 0.030 . 1 . . . . 68 THR HG2 . 11151 1 753 . 1 1 68 68 THR C C 13 175.764 0.300 . 1 . . . . 68 THR C . 11151 1 754 . 1 1 68 68 THR CA C 13 62.065 0.300 . 1 . . . . 68 THR CA . 11151 1 755 . 1 1 68 68 THR CB C 13 69.247 0.300 . 1 . . . . 68 THR CB . 11151 1 756 . 1 1 68 68 THR CG2 C 13 21.734 0.300 . 1 . . . . 68 THR CG2 . 11151 1 757 . 1 1 68 68 THR N N 15 119.792 0.300 . 1 . . . . 68 THR N . 11151 1 758 . 1 1 69 69 GLY H H 1 8.997 0.030 . 1 . . . . 69 GLY H . 11151 1 759 . 1 1 69 69 GLY HA2 H 1 3.838 0.030 . 2 . . . . 69 GLY HA2 . 11151 1 760 . 1 1 69 69 GLY HA3 H 1 3.813 0.030 . 2 . . . . 69 GLY HA3 . 11151 1 761 . 1 1 69 69 GLY C C 13 173.381 0.300 . 1 . . . . 69 GLY C . 11151 1 762 . 1 1 69 69 GLY CA C 13 45.083 0.300 . 1 . . . . 69 GLY CA . 11151 1 763 . 1 1 69 69 GLY N N 15 113.765 0.300 . 1 . . . . 69 GLY N . 11151 1 764 . 1 1 70 70 THR H H 1 7.999 0.030 . 1 . . . . 70 THR H . 11151 1 765 . 1 1 70 70 THR HA H 1 4.360 0.030 . 1 . . . . 70 THR HA . 11151 1 766 . 1 1 70 70 THR HB H 1 4.211 0.030 . 1 . . . . 70 THR HB . 11151 1 767 . 1 1 70 70 THR HG21 H 1 1.197 0.030 . 1 . . . . 70 THR HG2 . 11151 1 768 . 1 1 70 70 THR HG22 H 1 1.197 0.030 . 1 . . . . 70 THR HG2 . 11151 1 769 . 1 1 70 70 THR HG23 H 1 1.197 0.030 . 1 . . . . 70 THR HG2 . 11151 1 770 . 1 1 70 70 THR C C 13 174.385 0.300 . 1 . . . . 70 THR C . 11151 1 771 . 1 1 70 70 THR CA C 13 61.568 0.300 . 1 . . . . 70 THR CA . 11151 1 772 . 1 1 70 70 THR CB C 13 70.024 0.300 . 1 . . . . 70 THR CB . 11151 1 773 . 1 1 70 70 THR CG2 C 13 21.356 0.300 . 1 . . . . 70 THR CG2 . 11151 1 774 . 1 1 70 70 THR N N 15 113.278 0.300 . 1 . . . . 70 THR N . 11151 1 775 . 1 1 71 71 ALA H H 1 8.386 0.030 . 1 . . . . 71 ALA H . 11151 1 776 . 1 1 71 71 ALA HA H 1 4.337 0.030 . 1 . . . . 71 ALA HA . 11151 1 777 . 1 1 71 71 ALA HB1 H 1 1.397 0.030 . 1 . . . . 71 ALA HB . 11151 1 778 . 1 1 71 71 ALA HB2 H 1 1.397 0.030 . 1 . . . . 71 ALA HB . 11151 1 779 . 1 1 71 71 ALA HB3 H 1 1.397 0.030 . 1 . . . . 71 ALA HB . 11151 1 780 . 1 1 71 71 ALA C C 13 177.930 0.300 . 1 . . . . 71 ALA C . 11151 1 781 . 1 1 71 71 ALA CA C 13 52.342 0.300 . 1 . . . . 71 ALA CA . 11151 1 782 . 1 1 71 71 ALA CB C 13 19.300 0.300 . 1 . . . . 71 ALA CB . 11151 1 783 . 1 1 71 71 ALA N N 15 126.763 0.300 . 1 . . . . 71 ALA N . 11151 1 784 . 1 1 72 72 ALA H H 1 8.298 0.030 . 1 . . . . 72 ALA H . 11151 1 785 . 1 1 72 72 ALA HA H 1 4.285 0.030 . 1 . . . . 72 ALA HA . 11151 1 786 . 1 1 72 72 ALA HB1 H 1 1.382 0.030 . 1 . . . . 72 ALA HB . 11151 1 787 . 1 1 72 72 ALA HB2 H 1 1.382 0.030 . 1 . . . . 72 ALA HB . 11151 1 788 . 1 1 72 72 ALA HB3 H 1 1.382 0.030 . 1 . . . . 72 ALA HB . 11151 1 789 . 1 1 72 72 ALA C C 13 177.737 0.300 . 1 . . . . 72 ALA C . 11151 1 790 . 1 1 72 72 ALA CA C 13 52.790 0.300 . 1 . . . . 72 ALA CA . 11151 1 791 . 1 1 72 72 ALA CB C 13 19.102 0.300 . 1 . . . . 72 ALA CB . 11151 1 792 . 1 1 72 72 ALA N N 15 123.065 0.300 . 1 . . . . 72 ALA N . 11151 1 793 . 1 1 73 73 ASN H H 1 8.321 0.030 . 1 . . . . 73 ASN H . 11151 1 794 . 1 1 73 73 ASN C C 13 175.477 0.300 . 1 . . . . 73 ASN C . 11151 1 795 . 1 1 73 73 ASN N N 15 117.415 0.300 . 1 . . . . 73 ASN N . 11151 1 796 . 1 1 74 74 SER HA H 1 4.440 0.030 . 1 . . . . 74 SER HA . 11151 1 797 . 1 1 74 74 SER HB2 H 1 3.876 0.030 . 1 . . . . 74 SER HB2 . 11151 1 798 . 1 1 74 74 SER HB3 H 1 3.876 0.030 . 1 . . . . 74 SER HB3 . 11151 1 799 . 1 1 74 74 SER C C 13 174.677 0.300 . 1 . . . . 74 SER C . 11151 1 800 . 1 1 74 74 SER CA C 13 58.609 0.300 . 1 . . . . 74 SER CA . 11151 1 801 . 1 1 74 74 SER CB C 13 63.795 0.300 . 1 . . . . 74 SER CB . 11151 1 802 . 1 1 75 75 ARG H H 1 8.342 0.030 . 1 . . . . 75 ARG H . 11151 1 803 . 1 1 75 75 ARG HA H 1 4.361 0.030 . 1 . . . . 75 ARG HA . 11151 1 804 . 1 1 75 75 ARG HB2 H 1 1.881 0.030 . 2 . . . . 75 ARG HB2 . 11151 1 805 . 1 1 75 75 ARG HB3 H 1 1.782 0.030 . 2 . . . . 75 ARG HB3 . 11151 1 806 . 1 1 75 75 ARG HD2 H 1 3.190 0.030 . 1 . . . . 75 ARG HD2 . 11151 1 807 . 1 1 75 75 ARG HD3 H 1 3.190 0.030 . 1 . . . . 75 ARG HD3 . 11151 1 808 . 1 1 75 75 ARG HG2 H 1 1.640 0.030 . 1 . . . . 75 ARG HG2 . 11151 1 809 . 1 1 75 75 ARG HG3 H 1 1.640 0.030 . 1 . . . . 75 ARG HG3 . 11151 1 810 . 1 1 75 75 ARG C C 13 176.085 0.300 . 1 . . . . 75 ARG C . 11151 1 811 . 1 1 75 75 ARG CA C 13 56.354 0.300 . 1 . . . . 75 ARG CA . 11151 1 812 . 1 1 75 75 ARG CB C 13 30.771 0.300 . 1 . . . . 75 ARG CB . 11151 1 813 . 1 1 75 75 ARG CD C 13 43.345 0.300 . 1 . . . . 75 ARG CD . 11151 1 814 . 1 1 75 75 ARG CG C 13 27.132 0.300 . 1 . . . . 75 ARG CG . 11151 1 815 . 1 1 75 75 ARG N N 15 122.520 0.300 . 1 . . . . 75 ARG N . 11151 1 816 . 1 1 76 76 ASP H H 1 8.347 0.030 . 1 . . . . 76 ASP H . 11151 1 817 . 1 1 76 76 ASP HA H 1 4.682 0.030 . 1 . . . . 76 ASP HA . 11151 1 818 . 1 1 76 76 ASP HB2 H 1 2.768 0.030 . 2 . . . . 76 ASP HB2 . 11151 1 819 . 1 1 76 76 ASP HB3 H 1 2.653 0.030 . 2 . . . . 76 ASP HB3 . 11151 1 820 . 1 1 76 76 ASP C C 13 176.789 0.300 . 1 . . . . 76 ASP C . 11151 1 821 . 1 1 76 76 ASP CA C 13 54.562 0.300 . 1 . . . . 76 ASP CA . 11151 1 822 . 1 1 76 76 ASP CB C 13 41.221 0.300 . 1 . . . . 76 ASP CB . 11151 1 823 . 1 1 76 76 ASP N N 15 121.231 0.300 . 1 . . . . 76 ASP N . 11151 1 824 . 1 1 77 77 THR H H 1 8.157 0.030 . 1 . . . . 77 THR H . 11151 1 825 . 1 1 77 77 THR HA H 1 4.407 0.030 . 1 . . . . 77 THR HA . 11151 1 826 . 1 1 77 77 THR HB H 1 4.372 0.030 . 1 . . . . 77 THR HB . 11151 1 827 . 1 1 77 77 THR HG21 H 1 1.197 0.030 . 1 . . . . 77 THR HG2 . 11151 1 828 . 1 1 77 77 THR HG22 H 1 1.197 0.030 . 1 . . . . 77 THR HG2 . 11151 1 829 . 1 1 77 77 THR HG23 H 1 1.197 0.030 . 1 . . . . 77 THR HG2 . 11151 1 830 . 1 1 77 77 THR C C 13 174.862 0.300 . 1 . . . . 77 THR C . 11151 1 831 . 1 1 77 77 THR CA C 13 61.590 0.300 . 1 . . . . 77 THR CA . 11151 1 832 . 1 1 77 77 THR CB C 13 69.554 0.300 . 1 . . . . 77 THR CB . 11151 1 833 . 1 1 77 77 THR CG2 C 13 21.355 0.300 . 1 . . . . 77 THR CG2 . 11151 1 834 . 1 1 77 77 THR N N 15 114.167 0.300 . 1 . . . . 77 THR N . 11151 1 835 . 1 1 78 78 SER H H 1 8.367 0.030 . 1 . . . . 78 SER H . 11151 1 836 . 1 1 78 78 SER HA H 1 4.443 0.030 . 1 . . . . 78 SER HA . 11151 1 837 . 1 1 78 78 SER HB2 H 1 3.909 0.030 . 1 . . . . 78 SER HB2 . 11151 1 838 . 1 1 78 78 SER HB3 H 1 3.909 0.030 . 1 . . . . 78 SER HB3 . 11151 1 839 . 1 1 78 78 SER C C 13 174.676 0.300 . 1 . . . . 78 SER C . 11151 1 840 . 1 1 78 78 SER CA C 13 58.684 0.300 . 1 . . . . 78 SER CA . 11151 1 841 . 1 1 78 78 SER CB C 13 63.888 0.300 . 1 . . . . 78 SER CB . 11151 1 842 . 1 1 78 78 SER N N 15 118.082 0.300 . 1 . . . . 78 SER N . 11151 1 843 . 1 1 79 79 GLY H H 1 8.224 0.030 . 1 . . . . 79 GLY H . 11151 1 844 . 1 1 79 79 GLY HA2 H 1 4.158 0.030 . 2 . . . . 79 GLY HA2 . 11151 1 845 . 1 1 79 79 GLY HA3 H 1 4.073 0.030 . 2 . . . . 79 GLY HA3 . 11151 1 846 . 1 1 79 79 GLY C C 13 171.859 0.300 . 1 . . . . 79 GLY C . 11151 1 847 . 1 1 79 79 GLY CA C 13 44.682 0.300 . 1 . . . . 79 GLY CA . 11151 1 848 . 1 1 79 79 GLY N N 15 110.630 0.300 . 1 . . . . 79 GLY N . 11151 1 849 . 1 1 80 80 PRO HA H 1 4.480 0.030 . 1 . . . . 80 PRO HA . 11151 1 850 . 1 1 80 80 PRO HB2 H 1 2.296 0.030 . 2 . . . . 80 PRO HB2 . 11151 1 851 . 1 1 80 80 PRO HB3 H 1 1.977 0.030 . 2 . . . . 80 PRO HB3 . 11151 1 852 . 1 1 80 80 PRO HD2 H 1 3.626 0.030 . 1 . . . . 80 PRO HD2 . 11151 1 853 . 1 1 80 80 PRO HD3 H 1 3.626 0.030 . 1 . . . . 80 PRO HD3 . 11151 1 854 . 1 1 80 80 PRO HG2 H 1 2.018 0.030 . 1 . . . . 80 PRO HG2 . 11151 1 855 . 1 1 80 80 PRO HG3 H 1 2.018 0.030 . 1 . . . . 80 PRO HG3 . 11151 1 856 . 1 1 80 80 PRO CA C 13 63.250 0.300 . 1 . . . . 80 PRO CA . 11151 1 857 . 1 1 80 80 PRO CB C 13 32.196 0.300 . 1 . . . . 80 PRO CB . 11151 1 858 . 1 1 80 80 PRO CD C 13 49.830 0.300 . 1 . . . . 80 PRO CD . 11151 1 859 . 1 1 80 80 PRO CG C 13 27.165 0.300 . 1 . . . . 80 PRO CG . 11151 1 860 . 1 1 81 81 SER H H 1 8.521 0.030 . 1 . . . . 81 SER H . 11151 1 861 . 1 1 81 81 SER N N 15 116.444 0.300 . 1 . . . . 81 SER N . 11151 1 stop_ save_