data_11317 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11317 _Entry.Title ; Solution Structure of the RING domain of the Tripartite motif protein 32 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 11317 2 N. Tochio . . . 11317 3 M. Sato . . . 11317 4 S. Koshiba . . . 11317 5 M. Inoue . . . 11317 6 T. Kigawa . . . 11317 7 S. Yokoyama . . . 11317 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)' . 11317 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11317 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 11317 '15N chemical shifts' 81 11317 '1H chemical shifts' 574 11317 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 . . 2011-08-19 2010-08-10 original author . 11317 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CT2 'BMRB Entry Tracking System' 11317 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11317 _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 RING domain of the Tripartite motif protein 32' _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 K. Miyamoto . . . 11317 1 2 N. Tochio . . . 11317 1 3 M. Sato . . . 11317 1 4 S. Koshiba . . . 11317 1 5 M. Inoue . . . 11317 1 6 T. Kigawa . . . 11317 1 7 S. Yokoyama . . . 11317 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11317 _Assembly.ID 1 _Assembly.Name 'Tripartite motif protein 32' _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.6.3.2.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING domain' 1 $entity_1 A . yes native no no . . . 11317 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11317 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11317 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 'RING domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11317 1 2 coordination single . 1 'RING domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11317 1 3 coordination single . 1 'RING domain' 1 CYS 42 42 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11317 1 4 coordination single . 1 'RING domain' 1 CYS 45 45 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 45 CYS SG . . . . ZN 11317 1 5 coordination single . 1 'RING domain' 1 CYS 37 37 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 37 CYS SG . . . . ZN 11317 1 6 coordination single . 1 'RING domain' 1 HIS 39 39 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 39 HIS ND1 . . . . ZN 11317 1 7 coordination single . 1 'RING domain' 1 CYS 59 59 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 59 CYS SG . . . . ZN 11317 1 8 coordination single . 1 'RING domain' 1 CYS 62 62 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 62 CYS SG . . . . ZN 11317 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 59 59 HG . 59 CYS HG 11317 1 . . 1 1 CYS 62 62 HG . 62 CYS HG 11317 1 . . 1 1 CYS 37 37 HG . 37 CYS HG 11317 1 . . 1 1 HIS 39 39 HD1 . 39 HIS HD1 11317 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11317 1 . . 1 1 CYS 45 45 HG . 45 CYS HG 11317 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11317 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11317 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 2ct2 . . . . . . 11317 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11317 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING 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 ; GSSGSSGNLDALREVLECPI CMESFTEEQLRPKLLHCGHT ICRQCLEKLLASSINGVRCP FCSKITRITSLTQLTDNLTV LKSGPSSG ; _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 88 _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 2CT2 . "Solution Structure Of The Ring Domain Of The Tripartite Motif Protein 32" . . . . . 100.00 88 100.00 100.00 9.46e-55 . . . . 11317 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11317 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 . 11317 1 2 . SER . 11317 1 3 . SER . 11317 1 4 . GLY . 11317 1 5 . SER . 11317 1 6 . SER . 11317 1 7 . GLY . 11317 1 8 . ASN . 11317 1 9 . LEU . 11317 1 10 . ASP . 11317 1 11 . ALA . 11317 1 12 . LEU . 11317 1 13 . ARG . 11317 1 14 . GLU . 11317 1 15 . VAL . 11317 1 16 . LEU . 11317 1 17 . GLU . 11317 1 18 . CYS . 11317 1 19 . PRO . 11317 1 20 . ILE . 11317 1 21 . CYS . 11317 1 22 . MET . 11317 1 23 . GLU . 11317 1 24 . SER . 11317 1 25 . PHE . 11317 1 26 . THR . 11317 1 27 . GLU . 11317 1 28 . GLU . 11317 1 29 . GLN . 11317 1 30 . LEU . 11317 1 31 . ARG . 11317 1 32 . PRO . 11317 1 33 . LYS . 11317 1 34 . LEU . 11317 1 35 . LEU . 11317 1 36 . HIS . 11317 1 37 . CYS . 11317 1 38 . GLY . 11317 1 39 . HIS . 11317 1 40 . THR . 11317 1 41 . ILE . 11317 1 42 . CYS . 11317 1 43 . ARG . 11317 1 44 . GLN . 11317 1 45 . CYS . 11317 1 46 . LEU . 11317 1 47 . GLU . 11317 1 48 . LYS . 11317 1 49 . LEU . 11317 1 50 . LEU . 11317 1 51 . ALA . 11317 1 52 . SER . 11317 1 53 . SER . 11317 1 54 . ILE . 11317 1 55 . ASN . 11317 1 56 . GLY . 11317 1 57 . VAL . 11317 1 58 . ARG . 11317 1 59 . CYS . 11317 1 60 . PRO . 11317 1 61 . PHE . 11317 1 62 . CYS . 11317 1 63 . SER . 11317 1 64 . LYS . 11317 1 65 . ILE . 11317 1 66 . THR . 11317 1 67 . ARG . 11317 1 68 . ILE . 11317 1 69 . THR . 11317 1 70 . SER . 11317 1 71 . LEU . 11317 1 72 . THR . 11317 1 73 . GLN . 11317 1 74 . LEU . 11317 1 75 . THR . 11317 1 76 . ASP . 11317 1 77 . ASN . 11317 1 78 . LEU . 11317 1 79 . THR . 11317 1 80 . VAL . 11317 1 81 . LEU . 11317 1 82 . LYS . 11317 1 83 . SER . 11317 1 84 . GLY . 11317 1 85 . PRO . 11317 1 86 . SER . 11317 1 87 . SER . 11317 1 88 . GLY . 11317 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 11317 1 . SER 2 2 11317 1 . SER 3 3 11317 1 . GLY 4 4 11317 1 . SER 5 5 11317 1 . SER 6 6 11317 1 . GLY 7 7 11317 1 . ASN 8 8 11317 1 . LEU 9 9 11317 1 . ASP 10 10 11317 1 . ALA 11 11 11317 1 . LEU 12 12 11317 1 . ARG 13 13 11317 1 . GLU 14 14 11317 1 . VAL 15 15 11317 1 . LEU 16 16 11317 1 . GLU 17 17 11317 1 . CYS 18 18 11317 1 . PRO 19 19 11317 1 . ILE 20 20 11317 1 . CYS 21 21 11317 1 . MET 22 22 11317 1 . GLU 23 23 11317 1 . SER 24 24 11317 1 . PHE 25 25 11317 1 . THR 26 26 11317 1 . GLU 27 27 11317 1 . GLU 28 28 11317 1 . GLN 29 29 11317 1 . LEU 30 30 11317 1 . ARG 31 31 11317 1 . PRO 32 32 11317 1 . LYS 33 33 11317 1 . LEU 34 34 11317 1 . LEU 35 35 11317 1 . HIS 36 36 11317 1 . CYS 37 37 11317 1 . GLY 38 38 11317 1 . HIS 39 39 11317 1 . THR 40 40 11317 1 . ILE 41 41 11317 1 . CYS 42 42 11317 1 . ARG 43 43 11317 1 . GLN 44 44 11317 1 . CYS 45 45 11317 1 . LEU 46 46 11317 1 . GLU 47 47 11317 1 . LYS 48 48 11317 1 . LEU 49 49 11317 1 . LEU 50 50 11317 1 . ALA 51 51 11317 1 . SER 52 52 11317 1 . SER 53 53 11317 1 . ILE 54 54 11317 1 . ASN 55 55 11317 1 . GLY 56 56 11317 1 . VAL 57 57 11317 1 . ARG 58 58 11317 1 . CYS 59 59 11317 1 . PRO 60 60 11317 1 . PHE 61 61 11317 1 . CYS 62 62 11317 1 . SER 63 63 11317 1 . LYS 64 64 11317 1 . ILE 65 65 11317 1 . THR 66 66 11317 1 . ARG 67 67 11317 1 . ILE 68 68 11317 1 . THR 69 69 11317 1 . SER 70 70 11317 1 . LEU 71 71 11317 1 . THR 72 72 11317 1 . GLN 73 73 11317 1 . LEU 74 74 11317 1 . THR 75 75 11317 1 . ASP 76 76 11317 1 . ASN 77 77 11317 1 . LEU 78 78 11317 1 . THR 79 79 11317 1 . VAL 80 80 11317 1 . LEU 81 81 11317 1 . LYS 82 82 11317 1 . SER 83 83 11317 1 . GLY 84 84 11317 1 . PRO 85 85 11317 1 . SER 86 86 11317 1 . SER 87 87 11317 1 . GLY 88 88 11317 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11317 _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 . 11317 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 11317 _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 . . . . . . . . . . . . . . . . . . . . . 11317 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 11317 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P041101-17 . . . . . . 11317 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 11317 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11317 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11317 ZN [Zn++] SMILES CACTVS 3.341 11317 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11317 ZN [Zn+2] SMILES ACDLabs 10.04 11317 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11317 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11317 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 11317 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11317 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11317 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11317 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.47mM RING domain U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 0.1mM {NTA;} 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 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.47 . . mM . . . . 11317 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11317 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11317 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11317 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11317 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11317 1 7 NTA 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11317 1 8 H2O . . . . . . solvent 90 . . % . . . . 11317 1 9 D2O . . . . . . solvent 10 . . % . . . . 11317 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 11317 _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 11317 1 pH 7.0 0.05 pH 11317 1 pressure 1 0.001 atm 11317 1 temperature 298 0.1 K 11317 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11317 _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 . . 11317 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11317 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11317 _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.' . . 11317 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11317 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11317 _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.' . . 11317 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11317 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11317 _Software.ID 4 _Software.Name Kujira _Software.Version 0.925 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11317 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11317 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11317 _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.' . . 11317 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11317 5 'structure solution' 11317 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 11317 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 11317 _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 . 700 . . . 11317 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 11317 _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 . . . . . . . . . . . . . . . . 11317 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11317 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 11317 _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 . . . . . . . . . 11317 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11317 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11317 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 11317 _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 11317 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11317 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 . . 11317 1 2 $NMRPipe . . 11317 1 3 $NMRView . . 11317 1 4 $Kujira . . 11317 1 5 $CYANA . . 11317 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER C C 13 175.020 0.300 . 1 . . . . 6 SER C . 11317 1 2 . 1 1 6 6 SER CA C 13 58.731 0.300 . 1 . . . . 6 SER CA . 11317 1 3 . 1 1 6 6 SER CB C 13 63.992 0.300 . 1 . . . . 6 SER CB . 11317 1 4 . 1 1 7 7 GLY H H 1 8.409 0.030 . 1 . . . . 7 GLY H . 11317 1 5 . 1 1 7 7 GLY HA2 H 1 3.964 0.030 . 2 . . . . 7 GLY HA2 . 11317 1 6 . 1 1 7 7 GLY HA3 H 1 4.037 0.030 . 2 . . . . 7 GLY HA3 . 11317 1 7 . 1 1 7 7 GLY C C 13 173.869 0.300 . 1 . . . . 7 GLY C . 11317 1 8 . 1 1 7 7 GLY CA C 13 45.407 0.300 . 1 . . . . 7 GLY CA . 11317 1 9 . 1 1 7 7 GLY N N 15 110.461 0.300 . 1 . . . . 7 GLY N . 11317 1 10 . 1 1 8 8 ASN H H 1 8.300 0.030 . 1 . . . . 8 ASN H . 11317 1 11 . 1 1 8 8 ASN HA H 1 4.723 0.030 . 1 . . . . 8 ASN HA . 11317 1 12 . 1 1 8 8 ASN HB2 H 1 2.769 0.030 . 2 . . . . 8 ASN HB2 . 11317 1 13 . 1 1 8 8 ASN HB3 H 1 2.854 0.030 . 2 . . . . 8 ASN HB3 . 11317 1 14 . 1 1 8 8 ASN HD21 H 1 6.946 0.030 . 2 . . . . 8 ASN HD21 . 11317 1 15 . 1 1 8 8 ASN HD22 H 1 7.604 0.030 . 2 . . . . 8 ASN HD22 . 11317 1 16 . 1 1 8 8 ASN C C 13 175.553 0.300 . 1 . . . . 8 ASN C . 11317 1 17 . 1 1 8 8 ASN CA C 13 53.323 0.300 . 1 . . . . 8 ASN CA . 11317 1 18 . 1 1 8 8 ASN CB C 13 38.848 0.300 . 1 . . . . 8 ASN CB . 11317 1 19 . 1 1 8 8 ASN N N 15 118.712 0.300 . 1 . . . . 8 ASN N . 11317 1 20 . 1 1 8 8 ASN ND2 N 15 112.757 0.300 . 1 . . . . 8 ASN ND2 . 11317 1 21 . 1 1 9 9 LEU H H 1 8.337 0.030 . 1 . . . . 9 LEU H . 11317 1 22 . 1 1 9 9 LEU HA H 1 4.293 0.030 . 1 . . . . 9 LEU HA . 11317 1 23 . 1 1 9 9 LEU HB2 H 1 1.602 0.030 . 2 . . . . 9 LEU HB2 . 11317 1 24 . 1 1 9 9 LEU HB3 H 1 1.679 0.030 . 2 . . . . 9 LEU HB3 . 11317 1 25 . 1 1 9 9 LEU HD11 H 1 0.853 0.030 . 1 . . . . 9 LEU HD1 . 11317 1 26 . 1 1 9 9 LEU HD12 H 1 0.853 0.030 . 1 . . . . 9 LEU HD1 . 11317 1 27 . 1 1 9 9 LEU HD13 H 1 0.853 0.030 . 1 . . . . 9 LEU HD1 . 11317 1 28 . 1 1 9 9 LEU HD21 H 1 0.897 0.030 . 1 . . . . 9 LEU HD2 . 11317 1 29 . 1 1 9 9 LEU HD22 H 1 0.897 0.030 . 1 . . . . 9 LEU HD2 . 11317 1 30 . 1 1 9 9 LEU HD23 H 1 0.897 0.030 . 1 . . . . 9 LEU HD2 . 11317 1 31 . 1 1 9 9 LEU HG H 1 1.629 0.030 . 1 . . . . 9 LEU HG . 11317 1 32 . 1 1 9 9 LEU C C 13 177.588 0.300 . 1 . . . . 9 LEU C . 11317 1 33 . 1 1 9 9 LEU CA C 13 55.616 0.300 . 1 . . . . 9 LEU CA . 11317 1 34 . 1 1 9 9 LEU CB C 13 42.210 0.300 . 1 . . . . 9 LEU CB . 11317 1 35 . 1 1 9 9 LEU CD1 C 13 25.050 0.300 . 1 . . . . 9 LEU CD1 . 11317 1 36 . 1 1 9 9 LEU CD2 C 13 25.050 0.300 . 1 . . . . 9 LEU CD2 . 11317 1 37 . 1 1 9 9 LEU CG C 13 27.046 0.300 . 1 . . . . 9 LEU CG . 11317 1 38 . 1 1 9 9 LEU N N 15 122.642 0.300 . 1 . . . . 9 LEU N . 11317 1 39 . 1 1 10 10 ASP H H 1 8.280 0.030 . 1 . . . . 10 ASP H . 11317 1 40 . 1 1 10 10 ASP HA H 1 4.524 0.030 . 1 . . . . 10 ASP HA . 11317 1 41 . 1 1 10 10 ASP HB2 H 1 2.702 0.030 . 2 . . . . 10 ASP HB2 . 11317 1 42 . 1 1 10 10 ASP HB3 H 1 2.635 0.030 . 2 . . . . 10 ASP HB3 . 11317 1 43 . 1 1 10 10 ASP C C 13 176.522 0.300 . 1 . . . . 10 ASP C . 11317 1 44 . 1 1 10 10 ASP CA C 13 55.014 0.300 . 1 . . . . 10 ASP CA . 11317 1 45 . 1 1 10 10 ASP CB C 13 40.951 0.300 . 1 . . . . 10 ASP CB . 11317 1 46 . 1 1 10 10 ASP N N 15 120.621 0.300 . 1 . . . . 10 ASP N . 11317 1 47 . 1 1 11 11 ALA H H 1 8.055 0.030 . 1 . . . . 11 ALA H . 11317 1 48 . 1 1 11 11 ALA HA H 1 4.251 0.030 . 1 . . . . 11 ALA HA . 11317 1 49 . 1 1 11 11 ALA HB1 H 1 1.381 0.030 . 1 . . . . 11 ALA HB . 11317 1 50 . 1 1 11 11 ALA HB2 H 1 1.381 0.030 . 1 . . . . 11 ALA HB . 11317 1 51 . 1 1 11 11 ALA HB3 H 1 1.381 0.030 . 1 . . . . 11 ALA HB . 11317 1 52 . 1 1 11 11 ALA C C 13 178.036 0.300 . 1 . . . . 11 ALA C . 11317 1 53 . 1 1 11 11 ALA CA C 13 53.000 0.300 . 1 . . . . 11 ALA CA . 11317 1 54 . 1 1 11 11 ALA CB C 13 19.186 0.300 . 1 . . . . 11 ALA CB . 11317 1 55 . 1 1 11 11 ALA N N 15 123.480 0.300 . 1 . . . . 11 ALA N . 11317 1 56 . 1 1 12 12 LEU H H 1 8.038 0.030 . 1 . . . . 12 LEU H . 11317 1 57 . 1 1 12 12 LEU HA H 1 4.289 0.030 . 1 . . . . 12 LEU HA . 11317 1 58 . 1 1 12 12 LEU HB2 H 1 1.594 0.030 . 2 . . . . 12 LEU HB2 . 11317 1 59 . 1 1 12 12 LEU HB3 H 1 1.689 0.030 . 2 . . . . 12 LEU HB3 . 11317 1 60 . 1 1 12 12 LEU HD11 H 1 0.821 0.030 . 1 . . . . 12 LEU HD1 . 11317 1 61 . 1 1 12 12 LEU HD12 H 1 0.821 0.030 . 1 . . . . 12 LEU HD1 . 11317 1 62 . 1 1 12 12 LEU HD13 H 1 0.821 0.030 . 1 . . . . 12 LEU HD1 . 11317 1 63 . 1 1 12 12 LEU HD21 H 1 0.850 0.030 . 1 . . . . 12 LEU HD2 . 11317 1 64 . 1 1 12 12 LEU HD22 H 1 0.850 0.030 . 1 . . . . 12 LEU HD2 . 11317 1 65 . 1 1 12 12 LEU HD23 H 1 0.850 0.030 . 1 . . . . 12 LEU HD2 . 11317 1 66 . 1 1 12 12 LEU HG H 1 1.616 0.030 . 1 . . . . 12 LEU HG . 11317 1 67 . 1 1 12 12 LEU C C 13 177.443 0.300 . 1 . . . . 12 LEU C . 11317 1 68 . 1 1 12 12 LEU CA C 13 55.360 0.300 . 1 . . . . 12 LEU CA . 11317 1 69 . 1 1 12 12 LEU CB C 13 41.978 0.300 . 1 . . . . 12 LEU CB . 11317 1 70 . 1 1 12 12 LEU CD1 C 13 23.410 0.300 . 2 . . . . 12 LEU CD1 . 11317 1 71 . 1 1 12 12 LEU CD2 C 13 23.414 0.300 . 2 . . . . 12 LEU CD2 . 11317 1 72 . 1 1 12 12 LEU CG C 13 27.105 0.300 . 1 . . . . 12 LEU CG . 11317 1 73 . 1 1 12 12 LEU N N 15 119.754 0.300 . 1 . . . . 12 LEU N . 11317 1 74 . 1 1 13 13 ARG H H 1 7.995 0.030 . 1 . . . . 13 ARG H . 11317 1 75 . 1 1 13 13 ARG HA H 1 4.305 0.030 . 1 . . . . 13 ARG HA . 11317 1 76 . 1 1 13 13 ARG HB2 H 1 1.866 0.030 . 2 . . . . 13 ARG HB2 . 11317 1 77 . 1 1 13 13 ARG HB3 H 1 1.795 0.030 . 2 . . . . 13 ARG HB3 . 11317 1 78 . 1 1 13 13 ARG HD2 H 1 3.203 0.030 . 1 . . . . 13 ARG HD2 . 11317 1 79 . 1 1 13 13 ARG HD3 H 1 3.203 0.030 . 1 . . . . 13 ARG HD3 . 11317 1 80 . 1 1 13 13 ARG HG2 H 1 1.626 0.030 . 1 . . . . 13 ARG HG2 . 11317 1 81 . 1 1 13 13 ARG HG3 H 1 1.626 0.030 . 1 . . . . 13 ARG HG3 . 11317 1 82 . 1 1 13 13 ARG C C 13 176.183 0.300 . 1 . . . . 13 ARG C . 11317 1 83 . 1 1 13 13 ARG CA C 13 56.448 0.300 . 1 . . . . 13 ARG CA . 11317 1 84 . 1 1 13 13 ARG CB C 13 30.927 0.300 . 1 . . . . 13 ARG CB . 11317 1 85 . 1 1 13 13 ARG CD C 13 43.464 0.300 . 1 . . . . 13 ARG CD . 11317 1 86 . 1 1 13 13 ARG CG C 13 27.046 0.300 . 1 . . . . 13 ARG CG . 11317 1 87 . 1 1 13 13 ARG N N 15 120.835 0.300 . 1 . . . . 13 ARG N . 11317 1 88 . 1 1 14 14 GLU H H 1 8.315 0.030 . 1 . . . . 14 GLU H . 11317 1 89 . 1 1 14 14 GLU HA H 1 4.309 0.030 . 1 . . . . 14 GLU HA . 11317 1 90 . 1 1 14 14 GLU HB2 H 1 1.929 0.030 . 2 . . . . 14 GLU HB2 . 11317 1 91 . 1 1 14 14 GLU HB3 H 1 2.029 0.030 . 2 . . . . 14 GLU HB3 . 11317 1 92 . 1 1 14 14 GLU HG2 H 1 2.197 0.030 . 2 . . . . 14 GLU HG2 . 11317 1 93 . 1 1 14 14 GLU HG3 H 1 2.248 0.030 . 2 . . . . 14 GLU HG3 . 11317 1 94 . 1 1 14 14 GLU C C 13 175.929 0.300 . 1 . . . . 14 GLU C . 11317 1 95 . 1 1 14 14 GLU CA C 13 56.574 0.300 . 1 . . . . 14 GLU CA . 11317 1 96 . 1 1 14 14 GLU CB C 13 30.393 0.300 . 1 . . . . 14 GLU CB . 11317 1 97 . 1 1 14 14 GLU CG C 13 36.395 0.300 . 1 . . . . 14 GLU CG . 11317 1 98 . 1 1 14 14 GLU N N 15 121.432 0.300 . 1 . . . . 14 GLU N . 11317 1 99 . 1 1 15 15 VAL H H 1 8.047 0.030 . 1 . . . . 15 VAL H . 11317 1 100 . 1 1 15 15 VAL HA H 1 4.241 0.030 . 1 . . . . 15 VAL HA . 11317 1 101 . 1 1 15 15 VAL HB H 1 2.183 0.030 . 1 . . . . 15 VAL HB . 11317 1 102 . 1 1 15 15 VAL HG11 H 1 1.020 0.030 . 1 . . . . 15 VAL HG1 . 11317 1 103 . 1 1 15 15 VAL HG12 H 1 1.020 0.030 . 1 . . . . 15 VAL HG1 . 11317 1 104 . 1 1 15 15 VAL HG13 H 1 1.020 0.030 . 1 . . . . 15 VAL HG1 . 11317 1 105 . 1 1 15 15 VAL HG21 H 1 1.074 0.030 . 1 . . . . 15 VAL HG2 . 11317 1 106 . 1 1 15 15 VAL HG22 H 1 1.074 0.030 . 1 . . . . 15 VAL HG2 . 11317 1 107 . 1 1 15 15 VAL HG23 H 1 1.074 0.030 . 1 . . . . 15 VAL HG2 . 11317 1 108 . 1 1 15 15 VAL C C 13 175.516 0.300 . 1 . . . . 15 VAL C . 11317 1 109 . 1 1 15 15 VAL CA C 13 62.257 0.300 . 1 . . . . 15 VAL CA . 11317 1 110 . 1 1 15 15 VAL CB C 13 32.847 0.300 . 1 . . . . 15 VAL CB . 11317 1 111 . 1 1 15 15 VAL CG1 C 13 20.611 0.300 . 2 . . . . 15 VAL CG1 . 11317 1 112 . 1 1 15 15 VAL CG2 C 13 21.871 0.300 . 2 . . . . 15 VAL CG2 . 11317 1 113 . 1 1 15 15 VAL N N 15 120.861 0.300 . 1 . . . . 15 VAL N . 11317 1 114 . 1 1 16 16 LEU H H 1 8.400 0.030 . 1 . . . . 16 LEU H . 11317 1 115 . 1 1 16 16 LEU HA H 1 4.601 0.030 . 1 . . . . 16 LEU HA . 11317 1 116 . 1 1 16 16 LEU HB2 H 1 1.713 0.030 . 1 . . . . 16 LEU HB2 . 11317 1 117 . 1 1 16 16 LEU HB3 H 1 1.713 0.030 . 1 . . . . 16 LEU HB3 . 11317 1 118 . 1 1 16 16 LEU HD11 H 1 0.949 0.030 . 1 . . . . 16 LEU HD1 . 11317 1 119 . 1 1 16 16 LEU HD12 H 1 0.949 0.030 . 1 . . . . 16 LEU HD1 . 11317 1 120 . 1 1 16 16 LEU HD13 H 1 0.949 0.030 . 1 . . . . 16 LEU HD1 . 11317 1 121 . 1 1 16 16 LEU HD21 H 1 0.902 0.030 . 1 . . . . 16 LEU HD2 . 11317 1 122 . 1 1 16 16 LEU HD22 H 1 0.902 0.030 . 1 . . . . 16 LEU HD2 . 11317 1 123 . 1 1 16 16 LEU HD23 H 1 0.902 0.030 . 1 . . . . 16 LEU HD2 . 11317 1 124 . 1 1 16 16 LEU HG H 1 1.678 0.030 . 1 . . . . 16 LEU HG . 11317 1 125 . 1 1 16 16 LEU C C 13 175.977 0.300 . 1 . . . . 16 LEU C . 11317 1 126 . 1 1 16 16 LEU CA C 13 55.104 0.300 . 1 . . . . 16 LEU CA . 11317 1 127 . 1 1 16 16 LEU CB C 13 42.965 0.300 . 1 . . . . 16 LEU CB . 11317 1 128 . 1 1 16 16 LEU CD1 C 13 25.396 0.300 . 2 . . . . 16 LEU CD1 . 11317 1 129 . 1 1 16 16 LEU CD2 C 13 23.326 0.300 . 2 . . . . 16 LEU CD2 . 11317 1 130 . 1 1 16 16 LEU CG C 13 27.269 0.300 . 1 . . . . 16 LEU CG . 11317 1 131 . 1 1 16 16 LEU N N 15 123.974 0.300 . 1 . . . . 16 LEU N . 11317 1 132 . 1 1 17 17 GLU H H 1 7.516 0.030 . 1 . . . . 17 GLU H . 11317 1 133 . 1 1 17 17 GLU HA H 1 4.230 0.030 . 1 . . . . 17 GLU HA . 11317 1 134 . 1 1 17 17 GLU HB2 H 1 1.489 0.030 . 1 . . . . 17 GLU HB2 . 11317 1 135 . 1 1 17 17 GLU HB3 H 1 1.489 0.030 . 1 . . . . 17 GLU HB3 . 11317 1 136 . 1 1 17 17 GLU HG2 H 1 1.809 0.030 . 2 . . . . 17 GLU HG2 . 11317 1 137 . 1 1 17 17 GLU HG3 H 1 1.923 0.030 . 2 . . . . 17 GLU HG3 . 11317 1 138 . 1 1 17 17 GLU C C 13 174.099 0.300 . 1 . . . . 17 GLU C . 11317 1 139 . 1 1 17 17 GLU CA C 13 53.805 0.300 . 1 . . . . 17 GLU CA . 11317 1 140 . 1 1 17 17 GLU CB C 13 32.031 0.300 . 1 . . . . 17 GLU CB . 11317 1 141 . 1 1 17 17 GLU CG C 13 35.490 0.300 . 1 . . . . 17 GLU CG . 11317 1 142 . 1 1 17 17 GLU N N 15 117.885 0.300 . 1 . . . . 17 GLU N . 11317 1 143 . 1 1 18 18 CYS H H 1 8.028 0.030 . 1 . . . . 18 CYS H . 11317 1 144 . 1 1 18 18 CYS HA H 1 4.411 0.030 . 1 . . . . 18 CYS HA . 11317 1 145 . 1 1 18 18 CYS HB2 H 1 3.518 0.030 . 2 . . . . 18 CYS HB2 . 11317 1 146 . 1 1 18 18 CYS HB3 H 1 2.463 0.030 . 2 . . . . 18 CYS HB3 . 11317 1 147 . 1 1 18 18 CYS C C 13 176.013 0.300 . 1 . . . . 18 CYS C . 11317 1 148 . 1 1 18 18 CYS CA C 13 56.651 0.300 . 1 . . . . 18 CYS CA . 11317 1 149 . 1 1 18 18 CYS CB C 13 31.474 0.300 . 1 . . . . 18 CYS CB . 11317 1 150 . 1 1 18 18 CYS N N 15 125.737 0.300 . 1 . . . . 18 CYS N . 11317 1 151 . 1 1 19 19 PRO HA H 1 4.591 0.030 . 1 . . . . 19 PRO HA . 11317 1 152 . 1 1 19 19 PRO HB2 H 1 2.145 0.030 . 2 . . . . 19 PRO HB2 . 11317 1 153 . 1 1 19 19 PRO HB3 H 1 1.863 0.030 . 2 . . . . 19 PRO HB3 . 11317 1 154 . 1 1 19 19 PRO HD2 H 1 4.086 0.030 . 2 . . . . 19 PRO HD2 . 11317 1 155 . 1 1 19 19 PRO HD3 H 1 4.641 0.030 . 2 . . . . 19 PRO HD3 . 11317 1 156 . 1 1 19 19 PRO HG2 H 1 1.957 0.030 . 2 . . . . 19 PRO HG2 . 11317 1 157 . 1 1 19 19 PRO HG3 H 1 2.137 0.030 . 2 . . . . 19 PRO HG3 . 11317 1 158 . 1 1 19 19 PRO C C 13 176.546 0.300 . 1 . . . . 19 PRO C . 11317 1 159 . 1 1 19 19 PRO CA C 13 63.996 0.300 . 1 . . . . 19 PRO CA . 11317 1 160 . 1 1 19 19 PRO CB C 13 31.812 0.300 . 1 . . . . 19 PRO CB . 11317 1 161 . 1 1 19 19 PRO CD C 13 51.521 0.300 . 1 . . . . 19 PRO CD . 11317 1 162 . 1 1 19 19 PRO CG C 13 28.082 0.300 . 1 . . . . 19 PRO CG . 11317 1 163 . 1 1 20 20 ILE H H 1 8.878 0.030 . 1 . . . . 20 ILE H . 11317 1 164 . 1 1 20 20 ILE HA H 1 4.258 0.030 . 1 . . . . 20 ILE HA . 11317 1 165 . 1 1 20 20 ILE HB H 1 2.763 0.030 . 1 . . . . 20 ILE HB . 11317 1 166 . 1 1 20 20 ILE HD11 H 1 0.885 0.030 . 1 . . . . 20 ILE HD1 . 11317 1 167 . 1 1 20 20 ILE HD12 H 1 0.885 0.030 . 1 . . . . 20 ILE HD1 . 11317 1 168 . 1 1 20 20 ILE HD13 H 1 0.885 0.030 . 1 . . . . 20 ILE HD1 . 11317 1 169 . 1 1 20 20 ILE HG12 H 1 1.241 0.030 . 2 . . . . 20 ILE HG12 . 11317 1 170 . 1 1 20 20 ILE HG13 H 1 1.643 0.030 . 2 . . . . 20 ILE HG13 . 11317 1 171 . 1 1 20 20 ILE HG21 H 1 0.941 0.030 . 1 . . . . 20 ILE HG2 . 11317 1 172 . 1 1 20 20 ILE HG22 H 1 0.941 0.030 . 1 . . . . 20 ILE HG2 . 11317 1 173 . 1 1 20 20 ILE HG23 H 1 0.941 0.030 . 1 . . . . 20 ILE HG2 . 11317 1 174 . 1 1 20 20 ILE C C 13 176.583 0.300 . 1 . . . . 20 ILE C . 11317 1 175 . 1 1 20 20 ILE CA C 13 63.688 0.300 . 1 . . . . 20 ILE CA . 11317 1 176 . 1 1 20 20 ILE CB C 13 36.987 0.300 . 1 . . . . 20 ILE CB . 11317 1 177 . 1 1 20 20 ILE CD1 C 13 13.592 0.300 . 1 . . . . 20 ILE CD1 . 11317 1 178 . 1 1 20 20 ILE CG1 C 13 28.009 0.300 . 1 . . . . 20 ILE CG1 . 11317 1 179 . 1 1 20 20 ILE CG2 C 13 17.938 0.300 . 1 . . . . 20 ILE CG2 . 11317 1 180 . 1 1 20 20 ILE N N 15 121.729 0.300 . 1 . . . . 20 ILE N . 11317 1 181 . 1 1 21 21 CYS H H 1 7.858 0.030 . 1 . . . . 21 CYS H . 11317 1 182 . 1 1 21 21 CYS HA H 1 4.590 0.030 . 1 . . . . 21 CYS HA . 11317 1 183 . 1 1 21 21 CYS HB2 H 1 3.140 0.030 . 2 . . . . 21 CYS HB2 . 11317 1 184 . 1 1 21 21 CYS HB3 H 1 2.625 0.030 . 2 . . . . 21 CYS HB3 . 11317 1 185 . 1 1 21 21 CYS C C 13 176.171 0.300 . 1 . . . . 21 CYS C . 11317 1 186 . 1 1 21 21 CYS CA C 13 59.354 0.300 . 1 . . . . 21 CYS CA . 11317 1 187 . 1 1 21 21 CYS CB C 13 31.605 0.300 . 1 . . . . 21 CYS CB . 11317 1 188 . 1 1 21 21 CYS N N 15 118.036 0.300 . 1 . . . . 21 CYS N . 11317 1 189 . 1 1 22 22 MET H H 1 7.944 0.030 . 1 . . . . 22 MET H . 11317 1 190 . 1 1 22 22 MET HA H 1 4.245 0.030 . 1 . . . . 22 MET HA . 11317 1 191 . 1 1 22 22 MET HB2 H 1 2.280 0.030 . 2 . . . . 22 MET HB2 . 11317 1 192 . 1 1 22 22 MET HB3 H 1 2.221 0.030 . 2 . . . . 22 MET HB3 . 11317 1 193 . 1 1 22 22 MET HE1 H 1 2.029 0.030 . 1 . . . . 22 MET HE . 11317 1 194 . 1 1 22 22 MET HE2 H 1 2.029 0.030 . 1 . . . . 22 MET HE . 11317 1 195 . 1 1 22 22 MET HE3 H 1 2.029 0.030 . 1 . . . . 22 MET HE . 11317 1 196 . 1 1 22 22 MET HG2 H 1 2.440 0.030 . 2 . . . . 22 MET HG2 . 11317 1 197 . 1 1 22 22 MET HG3 H 1 2.334 0.030 . 2 . . . . 22 MET HG3 . 11317 1 198 . 1 1 22 22 MET C C 13 175.008 0.300 . 1 . . . . 22 MET C . 11317 1 199 . 1 1 22 22 MET CA C 13 57.020 0.300 . 1 . . . . 22 MET CA . 11317 1 200 . 1 1 22 22 MET CB C 13 28.660 0.300 . 1 . . . . 22 MET CB . 11317 1 201 . 1 1 22 22 MET CE C 13 17.068 0.300 . 1 . . . . 22 MET CE . 11317 1 202 . 1 1 22 22 MET CG C 13 32.860 0.300 . 1 . . . . 22 MET CG . 11317 1 203 . 1 1 22 22 MET N N 15 117.168 0.300 . 1 . . . . 22 MET N . 11317 1 204 . 1 1 23 23 GLU H H 1 7.956 0.030 . 1 . . . . 23 GLU H . 11317 1 205 . 1 1 23 23 GLU HA H 1 4.477 0.030 . 1 . . . . 23 GLU HA . 11317 1 206 . 1 1 23 23 GLU HB2 H 1 1.936 0.030 . 2 . . . . 23 GLU HB2 . 11317 1 207 . 1 1 23 23 GLU HB3 H 1 2.116 0.030 . 2 . . . . 23 GLU HB3 . 11317 1 208 . 1 1 23 23 GLU HG2 H 1 2.203 0.030 . 2 . . . . 23 GLU HG2 . 11317 1 209 . 1 1 23 23 GLU HG3 H 1 2.323 0.030 . 2 . . . . 23 GLU HG3 . 11317 1 210 . 1 1 23 23 GLU C C 13 176.498 0.300 . 1 . . . . 23 GLU C . 11317 1 211 . 1 1 23 23 GLU CA C 13 55.484 0.300 . 1 . . . . 23 GLU CA . 11317 1 212 . 1 1 23 23 GLU CB C 13 31.192 0.300 . 1 . . . . 23 GLU CB . 11317 1 213 . 1 1 23 23 GLU CG C 13 36.159 0.300 . 1 . . . . 23 GLU CG . 11317 1 214 . 1 1 23 23 GLU N N 15 119.154 0.300 . 1 . . . . 23 GLU N . 11317 1 215 . 1 1 24 24 SER H H 1 8.522 0.030 . 1 . . . . 24 SER H . 11317 1 216 . 1 1 24 24 SER HA H 1 4.429 0.030 . 1 . . . . 24 SER HA . 11317 1 217 . 1 1 24 24 SER HB2 H 1 3.759 0.030 . 2 . . . . 24 SER HB2 . 11317 1 218 . 1 1 24 24 SER HB3 H 1 3.905 0.030 . 2 . . . . 24 SER HB3 . 11317 1 219 . 1 1 24 24 SER C C 13 174.390 0.300 . 1 . . . . 24 SER C . 11317 1 220 . 1 1 24 24 SER CA C 13 59.134 0.300 . 1 . . . . 24 SER CA . 11317 1 221 . 1 1 24 24 SER CB C 13 63.688 0.300 . 1 . . . . 24 SER CB . 11317 1 222 . 1 1 24 24 SER N N 15 116.499 0.300 . 1 . . . . 24 SER N . 11317 1 223 . 1 1 25 25 PHE H H 1 7.848 0.030 . 1 . . . . 25 PHE H . 11317 1 224 . 1 1 25 25 PHE HA H 1 4.915 0.030 . 1 . . . . 25 PHE HA . 11317 1 225 . 1 1 25 25 PHE HB2 H 1 3.207 0.030 . 2 . . . . 25 PHE HB2 . 11317 1 226 . 1 1 25 25 PHE HB3 H 1 2.763 0.030 . 2 . . . . 25 PHE HB3 . 11317 1 227 . 1 1 25 25 PHE HD1 H 1 7.319 0.030 . 1 . . . . 25 PHE HD1 . 11317 1 228 . 1 1 25 25 PHE HD2 H 1 7.319 0.030 . 1 . . . . 25 PHE HD2 . 11317 1 229 . 1 1 25 25 PHE HE1 H 1 7.107 0.030 . 1 . . . . 25 PHE HE1 . 11317 1 230 . 1 1 25 25 PHE HE2 H 1 7.107 0.030 . 1 . . . . 25 PHE HE2 . 11317 1 231 . 1 1 25 25 PHE HZ H 1 7.048 0.030 . 1 . . . . 25 PHE HZ . 11317 1 232 . 1 1 25 25 PHE C C 13 176.207 0.300 . 1 . . . . 25 PHE C . 11317 1 233 . 1 1 25 25 PHE CA C 13 58.282 0.300 . 1 . . . . 25 PHE CA . 11317 1 234 . 1 1 25 25 PHE CB C 13 39.823 0.300 . 1 . . . . 25 PHE CB . 11317 1 235 . 1 1 25 25 PHE CD1 C 13 131.992 0.300 . 1 . . . . 25 PHE CD1 . 11317 1 236 . 1 1 25 25 PHE CD2 C 13 131.992 0.300 . 1 . . . . 25 PHE CD2 . 11317 1 237 . 1 1 25 25 PHE CE1 C 13 130.725 0.300 . 1 . . . . 25 PHE CE1 . 11317 1 238 . 1 1 25 25 PHE CE2 C 13 130.725 0.300 . 1 . . . . 25 PHE CE2 . 11317 1 239 . 1 1 25 25 PHE CZ C 13 129.184 0.300 . 1 . . . . 25 PHE CZ . 11317 1 240 . 1 1 25 25 PHE N N 15 120.977 0.300 . 1 . . . . 25 PHE N . 11317 1 241 . 1 1 26 26 THR H H 1 7.821 0.030 . 1 . . . . 26 THR H . 11317 1 242 . 1 1 26 26 THR HA H 1 4.699 0.030 . 1 . . . . 26 THR HA . 11317 1 243 . 1 1 26 26 THR HB H 1 4.586 0.030 . 1 . . . . 26 THR HB . 11317 1 244 . 1 1 26 26 THR HG21 H 1 1.296 0.030 . 1 . . . . 26 THR HG2 . 11317 1 245 . 1 1 26 26 THR HG22 H 1 1.296 0.030 . 1 . . . . 26 THR HG2 . 11317 1 246 . 1 1 26 26 THR HG23 H 1 1.296 0.030 . 1 . . . . 26 THR HG2 . 11317 1 247 . 1 1 26 26 THR C C 13 173.808 0.300 . 1 . . . . 26 THR C . 11317 1 248 . 1 1 26 26 THR CA C 13 59.980 0.300 . 1 . . . . 26 THR CA . 11317 1 249 . 1 1 26 26 THR CB C 13 72.085 0.300 . 1 . . . . 26 THR CB . 11317 1 250 . 1 1 26 26 THR CG2 C 13 22.123 0.300 . 1 . . . . 26 THR CG2 . 11317 1 251 . 1 1 26 26 THR N N 15 111.045 0.300 . 1 . . . . 26 THR N . 11317 1 252 . 1 1 27 27 GLU H H 1 8.557 0.030 . 1 . . . . 27 GLU H . 11317 1 253 . 1 1 27 27 GLU HA H 1 4.127 0.030 . 1 . . . . 27 GLU HA . 11317 1 254 . 1 1 27 27 GLU HB2 H 1 2.042 0.030 . 2 . . . . 27 GLU HB2 . 11317 1 255 . 1 1 27 27 GLU HB3 H 1 2.151 0.030 . 2 . . . . 27 GLU HB3 . 11317 1 256 . 1 1 27 27 GLU HG2 H 1 2.337 0.030 . 2 . . . . 27 GLU HG2 . 11317 1 257 . 1 1 27 27 GLU HG3 H 1 2.288 0.030 . 2 . . . . 27 GLU HG3 . 11317 1 258 . 1 1 27 27 GLU CA C 13 58.099 0.300 . 1 . . . . 27 GLU CA . 11317 1 259 . 1 1 27 27 GLU CB C 13 30.437 0.300 . 1 . . . . 27 GLU CB . 11317 1 260 . 1 1 27 27 GLU CG C 13 36.886 0.300 . 1 . . . . 27 GLU CG . 11317 1 261 . 1 1 27 27 GLU N N 15 116.533 0.300 . 1 . . . . 27 GLU N . 11317 1 262 . 1 1 28 28 GLU H H 1 8.072 0.030 . 1 . . . . 28 GLU H . 11317 1 263 . 1 1 28 28 GLU HA H 1 4.483 0.030 . 1 . . . . 28 GLU HA . 11317 1 264 . 1 1 28 28 GLU HB2 H 1 1.993 0.030 . 2 . . . . 28 GLU HB2 . 11317 1 265 . 1 1 28 28 GLU HB3 H 1 2.121 0.030 . 2 . . . . 28 GLU HB3 . 11317 1 266 . 1 1 28 28 GLU HG2 H 1 2.200 0.030 . 2 . . . . 28 GLU HG2 . 11317 1 267 . 1 1 28 28 GLU HG3 H 1 2.252 0.030 . 2 . . . . 28 GLU HG3 . 11317 1 268 . 1 1 28 28 GLU C C 13 176.716 0.300 . 1 . . . . 28 GLU C . 11317 1 269 . 1 1 28 28 GLU CA C 13 57.168 0.300 . 1 . . . . 28 GLU CA . 11317 1 270 . 1 1 28 28 GLU CB C 13 30.287 0.300 . 1 . . . . 28 GLU CB . 11317 1 271 . 1 1 28 28 GLU CG C 13 36.366 0.300 . 1 . . . . 28 GLU CG . 11317 1 272 . 1 1 28 28 GLU N N 15 118.107 0.300 . 1 . . . . 28 GLU N . 11317 1 273 . 1 1 29 29 GLN H H 1 8.238 0.030 . 1 . . . . 29 GLN H . 11317 1 274 . 1 1 29 29 GLN HA H 1 4.205 0.030 . 1 . . . . 29 GLN HA . 11317 1 275 . 1 1 29 29 GLN HB2 H 1 2.128 0.030 . 2 . . . . 29 GLN HB2 . 11317 1 276 . 1 1 29 29 GLN HB3 H 1 2.298 0.030 . 2 . . . . 29 GLN HB3 . 11317 1 277 . 1 1 29 29 GLN HE21 H 1 7.647 0.030 . 2 . . . . 29 GLN HE21 . 11317 1 278 . 1 1 29 29 GLN HE22 H 1 6.940 0.030 . 2 . . . . 29 GLN HE22 . 11317 1 279 . 1 1 29 29 GLN HG2 H 1 2.470 0.030 . 1 . . . . 29 GLN HG2 . 11317 1 280 . 1 1 29 29 GLN HG3 H 1 2.470 0.030 . 1 . . . . 29 GLN HG3 . 11317 1 281 . 1 1 29 29 GLN C C 13 175.965 0.300 . 1 . . . . 29 GLN C . 11317 1 282 . 1 1 29 29 GLN CA C 13 58.306 0.300 . 1 . . . . 29 GLN CA . 11317 1 283 . 1 1 29 29 GLN CB C 13 29.030 0.300 . 1 . . . . 29 GLN CB . 11317 1 284 . 1 1 29 29 GLN CG C 13 34.089 0.300 . 1 . . . . 29 GLN CG . 11317 1 285 . 1 1 29 29 GLN N N 15 119.267 0.300 . 1 . . . . 29 GLN N . 11317 1 286 . 1 1 29 29 GLN NE2 N 15 112.431 0.300 . 1 . . . . 29 GLN NE2 . 11317 1 287 . 1 1 30 30 LEU H H 1 7.512 0.030 . 1 . . . . 30 LEU H . 11317 1 288 . 1 1 30 30 LEU HA H 1 4.734 0.030 . 1 . . . . 30 LEU HA . 11317 1 289 . 1 1 30 30 LEU HB2 H 1 1.874 0.030 . 2 . . . . 30 LEU HB2 . 11317 1 290 . 1 1 30 30 LEU HB3 H 1 1.945 0.030 . 2 . . . . 30 LEU HB3 . 11317 1 291 . 1 1 30 30 LEU HD11 H 1 0.950 0.030 . 1 . . . . 30 LEU HD1 . 11317 1 292 . 1 1 30 30 LEU HD12 H 1 0.950 0.030 . 1 . . . . 30 LEU HD1 . 11317 1 293 . 1 1 30 30 LEU HD13 H 1 0.950 0.030 . 1 . . . . 30 LEU HD1 . 11317 1 294 . 1 1 30 30 LEU HD21 H 1 0.953 0.030 . 1 . . . . 30 LEU HD2 . 11317 1 295 . 1 1 30 30 LEU HD22 H 1 0.953 0.030 . 1 . . . . 30 LEU HD2 . 11317 1 296 . 1 1 30 30 LEU HD23 H 1 0.953 0.030 . 1 . . . . 30 LEU HD2 . 11317 1 297 . 1 1 30 30 LEU HG H 1 1.715 0.030 . 1 . . . . 30 LEU HG . 11317 1 298 . 1 1 30 30 LEU C C 13 176.292 0.300 . 1 . . . . 30 LEU C . 11317 1 299 . 1 1 30 30 LEU CA C 13 54.414 0.300 . 1 . . . . 30 LEU CA . 11317 1 300 . 1 1 30 30 LEU CB C 13 40.375 0.300 . 1 . . . . 30 LEU CB . 11317 1 301 . 1 1 30 30 LEU CD1 C 13 25.810 0.300 . 2 . . . . 30 LEU CD1 . 11317 1 302 . 1 1 30 30 LEU CD2 C 13 25.804 0.300 . 2 . . . . 30 LEU CD2 . 11317 1 303 . 1 1 30 30 LEU CG C 13 28.501 0.300 . 1 . . . . 30 LEU CG . 11317 1 304 . 1 1 30 30 LEU N N 15 119.428 0.300 . 1 . . . . 30 LEU N . 11317 1 305 . 1 1 31 31 ARG H H 1 7.089 0.030 . 1 . . . . 31 ARG H . 11317 1 306 . 1 1 31 31 ARG HA H 1 4.794 0.030 . 1 . . . . 31 ARG HA . 11317 1 307 . 1 1 31 31 ARG HB2 H 1 1.630 0.030 . 2 . . . . 31 ARG HB2 . 11317 1 308 . 1 1 31 31 ARG HB3 H 1 1.748 0.030 . 2 . . . . 31 ARG HB3 . 11317 1 309 . 1 1 31 31 ARG HD2 H 1 3.250 0.030 . 2 . . . . 31 ARG HD2 . 11317 1 310 . 1 1 31 31 ARG HD3 H 1 3.144 0.030 . 2 . . . . 31 ARG HD3 . 11317 1 311 . 1 1 31 31 ARG HG2 H 1 1.613 0.030 . 1 . . . . 31 ARG HG2 . 11317 1 312 . 1 1 31 31 ARG HG3 H 1 1.613 0.030 . 1 . . . . 31 ARG HG3 . 11317 1 313 . 1 1 31 31 ARG C C 13 175.044 0.300 . 1 . . . . 31 ARG C . 11317 1 314 . 1 1 31 31 ARG CA C 13 54.740 0.300 . 1 . . . . 31 ARG CA . 11317 1 315 . 1 1 31 31 ARG CB C 13 30.981 0.300 . 1 . . . . 31 ARG CB . 11317 1 316 . 1 1 31 31 ARG CD C 13 43.412 0.300 . 1 . . . . 31 ARG CD . 11317 1 317 . 1 1 31 31 ARG CG C 13 27.673 0.300 . 1 . . . . 31 ARG CG . 11317 1 318 . 1 1 31 31 ARG N N 15 121.423 0.300 . 1 . . . . 31 ARG N . 11317 1 319 . 1 1 32 32 PRO HA H 1 4.113 0.030 . 1 . . . . 32 PRO HA . 11317 1 320 . 1 1 32 32 PRO HB2 H 1 1.333 0.030 . 1 . . . . 32 PRO HB2 . 11317 1 321 . 1 1 32 32 PRO HB3 H 1 1.333 0.030 . 1 . . . . 32 PRO HB3 . 11317 1 322 . 1 1 32 32 PRO HD2 H 1 3.728 0.030 . 2 . . . . 32 PRO HD2 . 11317 1 323 . 1 1 32 32 PRO HD3 H 1 3.461 0.030 . 2 . . . . 32 PRO HD3 . 11317 1 324 . 1 1 32 32 PRO HG2 H 1 1.849 0.030 . 2 . . . . 32 PRO HG2 . 11317 1 325 . 1 1 32 32 PRO HG3 H 1 1.295 0.030 . 2 . . . . 32 PRO HG3 . 11317 1 326 . 1 1 32 32 PRO C C 13 175.577 0.300 . 1 . . . . 32 PRO C . 11317 1 327 . 1 1 32 32 PRO CA C 13 62.446 0.300 . 1 . . . . 32 PRO CA . 11317 1 328 . 1 1 32 32 PRO CB C 13 31.599 0.300 . 1 . . . . 32 PRO CB . 11317 1 329 . 1 1 32 32 PRO CD C 13 50.387 0.300 . 1 . . . . 32 PRO CD . 11317 1 330 . 1 1 32 32 PRO CG C 13 27.466 0.300 . 1 . . . . 32 PRO CG . 11317 1 331 . 1 1 33 33 LYS H H 1 8.483 0.030 . 1 . . . . 33 LYS H . 11317 1 332 . 1 1 33 33 LYS HA H 1 4.763 0.030 . 1 . . . . 33 LYS HA . 11317 1 333 . 1 1 33 33 LYS HB2 H 1 1.884 0.030 . 2 . . . . 33 LYS HB2 . 11317 1 334 . 1 1 33 33 LYS HB3 H 1 1.459 0.030 . 2 . . . . 33 LYS HB3 . 11317 1 335 . 1 1 33 33 LYS HD2 H 1 1.487 0.030 . 2 . . . . 33 LYS HD2 . 11317 1 336 . 1 1 33 33 LYS HD3 H 1 1.707 0.030 . 2 . . . . 33 LYS HD3 . 11317 1 337 . 1 1 33 33 LYS HE2 H 1 2.659 0.030 . 2 . . . . 33 LYS HE2 . 11317 1 338 . 1 1 33 33 LYS HE3 H 1 2.890 0.030 . 2 . . . . 33 LYS HE3 . 11317 1 339 . 1 1 33 33 LYS HG2 H 1 1.169 0.030 . 2 . . . . 33 LYS HG2 . 11317 1 340 . 1 1 33 33 LYS HG3 H 1 1.692 0.030 . 2 . . . . 33 LYS HG3 . 11317 1 341 . 1 1 33 33 LYS C C 13 174.378 0.300 . 1 . . . . 33 LYS C . 11317 1 342 . 1 1 33 33 LYS CA C 13 52.704 0.300 . 1 . . . . 33 LYS CA . 11317 1 343 . 1 1 33 33 LYS CB C 13 33.726 0.300 . 1 . . . . 33 LYS CB . 11317 1 344 . 1 1 33 33 LYS CD C 13 27.434 0.300 . 1 . . . . 33 LYS CD . 11317 1 345 . 1 1 33 33 LYS CE C 13 42.369 0.300 . 1 . . . . 33 LYS CE . 11317 1 346 . 1 1 33 33 LYS CG C 13 23.653 0.300 . 1 . . . . 33 LYS CG . 11317 1 347 . 1 1 33 33 LYS N N 15 122.139 0.300 . 1 . . . . 33 LYS N . 11317 1 348 . 1 1 34 34 LEU H H 1 8.151 0.030 . 1 . . . . 34 LEU H . 11317 1 349 . 1 1 34 34 LEU HA H 1 4.587 0.030 . 1 . . . . 34 LEU HA . 11317 1 350 . 1 1 34 34 LEU HB2 H 1 1.623 0.030 . 2 . . . . 34 LEU HB2 . 11317 1 351 . 1 1 34 34 LEU HB3 H 1 1.256 0.030 . 2 . . . . 34 LEU HB3 . 11317 1 352 . 1 1 34 34 LEU HD11 H 1 0.751 0.030 . 1 . . . . 34 LEU HD1 . 11317 1 353 . 1 1 34 34 LEU HD12 H 1 0.751 0.030 . 1 . . . . 34 LEU HD1 . 11317 1 354 . 1 1 34 34 LEU HD13 H 1 0.751 0.030 . 1 . . . . 34 LEU HD1 . 11317 1 355 . 1 1 34 34 LEU HD21 H 1 0.778 0.030 . 1 . . . . 34 LEU HD2 . 11317 1 356 . 1 1 34 34 LEU HD22 H 1 0.778 0.030 . 1 . . . . 34 LEU HD2 . 11317 1 357 . 1 1 34 34 LEU HD23 H 1 0.778 0.030 . 1 . . . . 34 LEU HD2 . 11317 1 358 . 1 1 34 34 LEU HG H 1 1.496 0.030 . 1 . . . . 34 LEU HG . 11317 1 359 . 1 1 34 34 LEU C C 13 177.188 0.300 . 1 . . . . 34 LEU C . 11317 1 360 . 1 1 34 34 LEU CA C 13 54.167 0.300 . 1 . . . . 34 LEU CA . 11317 1 361 . 1 1 34 34 LEU CB C 13 44.116 0.300 . 1 . . . . 34 LEU CB . 11317 1 362 . 1 1 34 34 LEU CD1 C 13 24.941 0.300 . 2 . . . . 34 LEU CD1 . 11317 1 363 . 1 1 34 34 LEU CD2 C 13 25.714 0.300 . 2 . . . . 34 LEU CD2 . 11317 1 364 . 1 1 34 34 LEU CG C 13 27.052 0.300 . 1 . . . . 34 LEU CG . 11317 1 365 . 1 1 34 34 LEU N N 15 122.382 0.300 . 1 . . . . 34 LEU N . 11317 1 366 . 1 1 35 35 LEU H H 1 8.681 0.030 . 1 . . . . 35 LEU H . 11317 1 367 . 1 1 35 35 LEU HA H 1 4.388 0.030 . 1 . . . . 35 LEU HA . 11317 1 368 . 1 1 35 35 LEU HB2 H 1 1.926 0.030 . 2 . . . . 35 LEU HB2 . 11317 1 369 . 1 1 35 35 LEU HB3 H 1 2.438 0.030 . 2 . . . . 35 LEU HB3 . 11317 1 370 . 1 1 35 35 LEU HD11 H 1 1.024 0.030 . 1 . . . . 35 LEU HD1 . 11317 1 371 . 1 1 35 35 LEU HD12 H 1 1.024 0.030 . 1 . . . . 35 LEU HD1 . 11317 1 372 . 1 1 35 35 LEU HD13 H 1 1.024 0.030 . 1 . . . . 35 LEU HD1 . 11317 1 373 . 1 1 35 35 LEU HD21 H 1 0.812 0.030 . 1 . . . . 35 LEU HD2 . 11317 1 374 . 1 1 35 35 LEU HD22 H 1 0.812 0.030 . 1 . . . . 35 LEU HD2 . 11317 1 375 . 1 1 35 35 LEU HD23 H 1 0.812 0.030 . 1 . . . . 35 LEU HD2 . 11317 1 376 . 1 1 35 35 LEU HG H 1 1.811 0.030 . 1 . . . . 35 LEU HG . 11317 1 377 . 1 1 35 35 LEU C C 13 179.780 0.300 . 1 . . . . 35 LEU C . 11317 1 378 . 1 1 35 35 LEU CA C 13 54.900 0.300 . 1 . . . . 35 LEU CA . 11317 1 379 . 1 1 35 35 LEU CB C 13 43.746 0.300 . 1 . . . . 35 LEU CB . 11317 1 380 . 1 1 35 35 LEU CD1 C 13 25.390 0.300 . 2 . . . . 35 LEU CD1 . 11317 1 381 . 1 1 35 35 LEU CD2 C 13 22.492 0.300 . 2 . . . . 35 LEU CD2 . 11317 1 382 . 1 1 35 35 LEU CG C 13 27.874 0.300 . 1 . . . . 35 LEU CG . 11317 1 383 . 1 1 35 35 LEU N N 15 122.438 0.300 . 1 . . . . 35 LEU N . 11317 1 384 . 1 1 36 36 HIS H H 1 8.574 0.030 . 1 . . . . 36 HIS H . 11317 1 385 . 1 1 36 36 HIS HA H 1 4.568 0.030 . 1 . . . . 36 HIS HA . 11317 1 386 . 1 1 36 36 HIS HB2 H 1 3.245 0.030 . 2 . . . . 36 HIS HB2 . 11317 1 387 . 1 1 36 36 HIS HB3 H 1 3.315 0.030 . 2 . . . . 36 HIS HB3 . 11317 1 388 . 1 1 36 36 HIS HD2 H 1 6.926 0.030 . 1 . . . . 36 HIS HD2 . 11317 1 389 . 1 1 36 36 HIS HE1 H 1 7.767 0.030 . 1 . . . . 36 HIS HE1 . 11317 1 390 . 1 1 36 36 HIS C C 13 175.710 0.300 . 1 . . . . 36 HIS C . 11317 1 391 . 1 1 36 36 HIS CA C 13 57.724 0.300 . 1 . . . . 36 HIS CA . 11317 1 392 . 1 1 36 36 HIS CB C 13 30.985 0.300 . 1 . . . . 36 HIS CB . 11317 1 393 . 1 1 36 36 HIS CD2 C 13 116.252 0.300 . 1 . . . . 36 HIS CD2 . 11317 1 394 . 1 1 36 36 HIS CE1 C 13 138.764 0.300 . 1 . . . . 36 HIS CE1 . 11317 1 395 . 1 1 36 36 HIS N N 15 120.198 0.300 . 1 . . . . 36 HIS N . 11317 1 396 . 1 1 37 37 CYS H H 1 7.388 0.030 . 1 . . . . 37 CYS H . 11317 1 397 . 1 1 37 37 CYS HA H 1 4.579 0.030 . 1 . . . . 37 CYS HA . 11317 1 398 . 1 1 37 37 CYS HB2 H 1 3.314 0.030 . 2 . . . . 37 CYS HB2 . 11317 1 399 . 1 1 37 37 CYS HB3 H 1 2.654 0.030 . 2 . . . . 37 CYS HB3 . 11317 1 400 . 1 1 37 37 CYS C C 13 175.783 0.300 . 1 . . . . 37 CYS C . 11317 1 401 . 1 1 37 37 CYS CA C 13 56.969 0.300 . 1 . . . . 37 CYS CA . 11317 1 402 . 1 1 37 37 CYS CB C 13 32.640 0.300 . 1 . . . . 37 CYS CB . 11317 1 403 . 1 1 37 37 CYS N N 15 112.912 0.300 . 1 . . . . 37 CYS N . 11317 1 404 . 1 1 38 38 GLY H H 1 7.755 0.030 . 1 . . . . 38 GLY H . 11317 1 405 . 1 1 38 38 GLY HA2 H 1 3.549 0.030 . 2 . . . . 38 GLY HA2 . 11317 1 406 . 1 1 38 38 GLY HA3 H 1 4.220 0.030 . 2 . . . . 38 GLY HA3 . 11317 1 407 . 1 1 38 38 GLY C C 13 173.724 0.300 . 1 . . . . 38 GLY C . 11317 1 408 . 1 1 38 38 GLY CA C 13 45.198 0.300 . 1 . . . . 38 GLY CA . 11317 1 409 . 1 1 38 38 GLY N N 15 109.828 0.300 . 1 . . . . 38 GLY N . 11317 1 410 . 1 1 39 39 HIS H H 1 7.846 0.030 . 1 . . . . 39 HIS H . 11317 1 411 . 1 1 39 39 HIS HA H 1 4.724 0.030 . 1 . . . . 39 HIS HA . 11317 1 412 . 1 1 39 39 HIS HB2 H 1 3.482 0.030 . 2 . . . . 39 HIS HB2 . 11317 1 413 . 1 1 39 39 HIS HB3 H 1 3.154 0.030 . 2 . . . . 39 HIS HB3 . 11317 1 414 . 1 1 39 39 HIS HD2 H 1 7.200 0.030 . 1 . . . . 39 HIS HD2 . 11317 1 415 . 1 1 39 39 HIS HE1 H 1 7.823 0.030 . 1 . . . . 39 HIS HE1 . 11317 1 416 . 1 1 39 39 HIS C C 13 173.263 0.300 . 1 . . . . 39 HIS C . 11317 1 417 . 1 1 39 39 HIS CA C 13 60.038 0.300 . 1 . . . . 39 HIS CA . 11317 1 418 . 1 1 39 39 HIS CB C 13 31.605 0.300 . 1 . . . . 39 HIS CB . 11317 1 419 . 1 1 39 39 HIS CD2 C 13 119.264 0.300 . 1 . . . . 39 HIS CD2 . 11317 1 420 . 1 1 39 39 HIS CE1 C 13 138.113 0.300 . 1 . . . . 39 HIS CE1 . 11317 1 421 . 1 1 39 39 HIS N N 15 120.914 0.300 . 1 . . . . 39 HIS N . 11317 1 422 . 1 1 40 40 THR H H 1 8.379 0.030 . 1 . . . . 40 THR H . 11317 1 423 . 1 1 40 40 THR HA H 1 5.337 0.030 . 1 . . . . 40 THR HA . 11317 1 424 . 1 1 40 40 THR HB H 1 3.970 0.030 . 1 . . . . 40 THR HB . 11317 1 425 . 1 1 40 40 THR HG21 H 1 0.900 0.030 . 1 . . . . 40 THR HG2 . 11317 1 426 . 1 1 40 40 THR HG22 H 1 0.900 0.030 . 1 . . . . 40 THR HG2 . 11317 1 427 . 1 1 40 40 THR HG23 H 1 0.900 0.030 . 1 . . . . 40 THR HG2 . 11317 1 428 . 1 1 40 40 THR C C 13 173.909 0.300 . 1 . . . . 40 THR C . 11317 1 429 . 1 1 40 40 THR CA C 13 62.478 0.300 . 1 . . . . 40 THR CA . 11317 1 430 . 1 1 40 40 THR CB C 13 70.302 0.300 . 1 . . . . 40 THR CB . 11317 1 431 . 1 1 40 40 THR CG2 C 13 22.666 0.300 . 1 . . . . 40 THR CG2 . 11317 1 432 . 1 1 40 40 THR N N 15 118.292 0.300 . 1 . . . . 40 THR N . 11317 1 433 . 1 1 41 41 ILE H H 1 8.506 0.030 . 1 . . . . 41 ILE H . 11317 1 434 . 1 1 41 41 ILE HA H 1 4.994 0.030 . 1 . . . . 41 ILE HA . 11317 1 435 . 1 1 41 41 ILE HB H 1 1.789 0.030 . 1 . . . . 41 ILE HB . 11317 1 436 . 1 1 41 41 ILE HD11 H 1 0.873 0.030 . 1 . . . . 41 ILE HD1 . 11317 1 437 . 1 1 41 41 ILE HD12 H 1 0.873 0.030 . 1 . . . . 41 ILE HD1 . 11317 1 438 . 1 1 41 41 ILE HD13 H 1 0.873 0.030 . 1 . . . . 41 ILE HD1 . 11317 1 439 . 1 1 41 41 ILE HG12 H 1 1.274 0.030 . 2 . . . . 41 ILE HG12 . 11317 1 440 . 1 1 41 41 ILE HG13 H 1 1.659 0.030 . 2 . . . . 41 ILE HG13 . 11317 1 441 . 1 1 41 41 ILE HG21 H 1 1.217 0.030 . 1 . . . . 41 ILE HG2 . 11317 1 442 . 1 1 41 41 ILE HG22 H 1 1.217 0.030 . 1 . . . . 41 ILE HG2 . 11317 1 443 . 1 1 41 41 ILE HG23 H 1 1.217 0.030 . 1 . . . . 41 ILE HG2 . 11317 1 444 . 1 1 41 41 ILE C C 13 174.015 0.300 . 1 . . . . 41 ILE C . 11317 1 445 . 1 1 41 41 ILE CA C 13 59.529 0.300 . 1 . . . . 41 ILE CA . 11317 1 446 . 1 1 41 41 ILE CB C 13 42.841 0.300 . 1 . . . . 41 ILE CB . 11317 1 447 . 1 1 41 41 ILE CD1 C 13 14.281 0.300 . 1 . . . . 41 ILE CD1 . 11317 1 448 . 1 1 41 41 ILE CG1 C 13 27.259 0.300 . 1 . . . . 41 ILE CG1 . 11317 1 449 . 1 1 41 41 ILE CG2 C 13 18.565 0.300 . 1 . . . . 41 ILE CG2 . 11317 1 450 . 1 1 41 41 ILE N N 15 121.044 0.300 . 1 . . . . 41 ILE N . 11317 1 451 . 1 1 42 42 CYS H H 1 9.558 0.030 . 1 . . . . 42 CYS H . 11317 1 452 . 1 1 42 42 CYS HA H 1 5.034 0.030 . 1 . . . . 42 CYS HA . 11317 1 453 . 1 1 42 42 CYS HB2 H 1 3.359 0.030 . 2 . . . . 42 CYS HB2 . 11317 1 454 . 1 1 42 42 CYS HB3 H 1 3.026 0.030 . 2 . . . . 42 CYS HB3 . 11317 1 455 . 1 1 42 42 CYS C C 13 176.389 0.300 . 1 . . . . 42 CYS C . 11317 1 456 . 1 1 42 42 CYS CA C 13 59.107 0.300 . 1 . . . . 42 CYS CA . 11317 1 457 . 1 1 42 42 CYS CB C 13 31.620 0.300 . 1 . . . . 42 CYS CB . 11317 1 458 . 1 1 42 42 CYS N N 15 127.471 0.300 . 1 . . . . 42 CYS N . 11317 1 459 . 1 1 43 43 ARG H H 1 8.631 0.030 . 1 . . . . 43 ARG H . 11317 1 460 . 1 1 43 43 ARG HA H 1 3.826 0.030 . 1 . . . . 43 ARG HA . 11317 1 461 . 1 1 43 43 ARG HB2 H 1 1.965 0.030 . 1 . . . . 43 ARG HB2 . 11317 1 462 . 1 1 43 43 ARG HB3 H 1 1.965 0.030 . 1 . . . . 43 ARG HB3 . 11317 1 463 . 1 1 43 43 ARG HD2 H 1 3.210 0.030 . 1 . . . . 43 ARG HD2 . 11317 1 464 . 1 1 43 43 ARG HD3 H 1 3.210 0.030 . 1 . . . . 43 ARG HD3 . 11317 1 465 . 1 1 43 43 ARG HG2 H 1 1.702 0.030 . 2 . . . . 43 ARG HG2 . 11317 1 466 . 1 1 43 43 ARG HG3 H 1 1.745 0.030 . 2 . . . . 43 ARG HG3 . 11317 1 467 . 1 1 43 43 ARG C C 13 177.019 0.300 . 1 . . . . 43 ARG C . 11317 1 468 . 1 1 43 43 ARG CA C 13 60.135 0.300 . 1 . . . . 43 ARG CA . 11317 1 469 . 1 1 43 43 ARG CB C 13 30.757 0.300 . 1 . . . . 43 ARG CB . 11317 1 470 . 1 1 43 43 ARG CD C 13 43.645 0.300 . 1 . . . . 43 ARG CD . 11317 1 471 . 1 1 43 43 ARG CG C 13 27.407 0.300 . 1 . . . . 43 ARG CG . 11317 1 472 . 1 1 43 43 ARG N N 15 117.913 0.300 . 1 . . . . 43 ARG N . 11317 1 473 . 1 1 44 44 GLN H H 1 8.017 0.030 . 1 . . . . 44 GLN H . 11317 1 474 . 1 1 44 44 GLN HA H 1 4.182 0.030 . 1 . . . . 44 GLN HA . 11317 1 475 . 1 1 44 44 GLN HB2 H 1 2.307 0.030 . 1 . . . . 44 GLN HB2 . 11317 1 476 . 1 1 44 44 GLN HB3 H 1 2.307 0.030 . 1 . . . . 44 GLN HB3 . 11317 1 477 . 1 1 44 44 GLN HE21 H 1 7.547 0.030 . 2 . . . . 44 GLN HE21 . 11317 1 478 . 1 1 44 44 GLN HE22 H 1 6.946 0.030 . 2 . . . . 44 GLN HE22 . 11317 1 479 . 1 1 44 44 GLN HG2 H 1 2.502 0.030 . 1 . . . . 44 GLN HG2 . 11317 1 480 . 1 1 44 44 GLN HG3 H 1 2.502 0.030 . 1 . . . . 44 GLN HG3 . 11317 1 481 . 1 1 44 44 GLN C C 13 179.575 0.300 . 1 . . . . 44 GLN C . 11317 1 482 . 1 1 44 44 GLN CA C 13 60.006 0.300 . 1 . . . . 44 GLN CA . 11317 1 483 . 1 1 44 44 GLN CB C 13 29.318 0.300 . 1 . . . . 44 GLN CB . 11317 1 484 . 1 1 44 44 GLN CG C 13 35.079 0.300 . 1 . . . . 44 GLN CG . 11317 1 485 . 1 1 44 44 GLN N N 15 119.917 0.300 . 1 . . . . 44 GLN N . 11317 1 486 . 1 1 44 44 GLN NE2 N 15 112.055 0.300 . 1 . . . . 44 GLN NE2 . 11317 1 487 . 1 1 45 45 CYS H H 1 9.401 0.030 . 1 . . . . 45 CYS H . 11317 1 488 . 1 1 45 45 CYS HA H 1 3.931 0.030 . 1 . . . . 45 CYS HA . 11317 1 489 . 1 1 45 45 CYS HB2 H 1 3.118 0.030 . 2 . . . . 45 CYS HB2 . 11317 1 490 . 1 1 45 45 CYS HB3 H 1 2.747 0.030 . 2 . . . . 45 CYS HB3 . 11317 1 491 . 1 1 45 45 CYS C C 13 179.030 0.300 . 1 . . . . 45 CYS C . 11317 1 492 . 1 1 45 45 CYS CA C 13 65.717 0.300 . 1 . . . . 45 CYS CA . 11317 1 493 . 1 1 45 45 CYS CB C 13 28.414 0.300 . 1 . . . . 45 CYS CB . 11317 1 494 . 1 1 45 45 CYS N N 15 125.392 0.300 . 1 . . . . 45 CYS N . 11317 1 495 . 1 1 46 46 LEU H H 1 8.565 0.030 . 1 . . . . 46 LEU H . 11317 1 496 . 1 1 46 46 LEU HA H 1 4.014 0.030 . 1 . . . . 46 LEU HA . 11317 1 497 . 1 1 46 46 LEU HB2 H 1 1.700 0.030 . 1 . . . . 46 LEU HB2 . 11317 1 498 . 1 1 46 46 LEU HB3 H 1 1.700 0.030 . 1 . . . . 46 LEU HB3 . 11317 1 499 . 1 1 46 46 LEU HD11 H 1 0.844 0.030 . 1 . . . . 46 LEU HD1 . 11317 1 500 . 1 1 46 46 LEU HD12 H 1 0.844 0.030 . 1 . . . . 46 LEU HD1 . 11317 1 501 . 1 1 46 46 LEU HD13 H 1 0.844 0.030 . 1 . . . . 46 LEU HD1 . 11317 1 502 . 1 1 46 46 LEU HD21 H 1 0.843 0.030 . 1 . . . . 46 LEU HD2 . 11317 1 503 . 1 1 46 46 LEU HD22 H 1 0.843 0.030 . 1 . . . . 46 LEU HD2 . 11317 1 504 . 1 1 46 46 LEU HD23 H 1 0.843 0.030 . 1 . . . . 46 LEU HD2 . 11317 1 505 . 1 1 46 46 LEU HG H 1 1.625 0.030 . 1 . . . . 46 LEU HG . 11317 1 506 . 1 1 46 46 LEU C C 13 178.339 0.300 . 1 . . . . 46 LEU C . 11317 1 507 . 1 1 46 46 LEU CA C 13 58.164 0.300 . 1 . . . . 46 LEU CA . 11317 1 508 . 1 1 46 46 LEU CB C 13 41.896 0.300 . 1 . . . . 46 LEU CB . 11317 1 509 . 1 1 46 46 LEU CD1 C 13 25.810 0.300 . 2 . . . . 46 LEU CD1 . 11317 1 510 . 1 1 46 46 LEU CD2 C 13 26.018 0.300 . 2 . . . . 46 LEU CD2 . 11317 1 511 . 1 1 46 46 LEU CG C 13 27.259 0.300 . 1 . . . . 46 LEU CG . 11317 1 512 . 1 1 46 46 LEU N N 15 120.329 0.300 . 1 . . . . 46 LEU N . 11317 1 513 . 1 1 47 47 GLU H H 1 8.586 0.030 . 1 . . . . 47 GLU H . 11317 1 514 . 1 1 47 47 GLU HA H 1 3.915 0.030 . 1 . . . . 47 GLU HA . 11317 1 515 . 1 1 47 47 GLU HB2 H 1 2.125 0.030 . 2 . . . . 47 GLU HB2 . 11317 1 516 . 1 1 47 47 GLU HB3 H 1 2.248 0.030 . 2 . . . . 47 GLU HB3 . 11317 1 517 . 1 1 47 47 GLU HG2 H 1 2.515 0.030 . 2 . . . . 47 GLU HG2 . 11317 1 518 . 1 1 47 47 GLU HG3 H 1 2.291 0.030 . 2 . . . . 47 GLU HG3 . 11317 1 519 . 1 1 47 47 GLU C C 13 179.623 0.300 . 1 . . . . 47 GLU C . 11317 1 520 . 1 1 47 47 GLU CA C 13 60.298 0.300 . 1 . . . . 47 GLU CA . 11317 1 521 . 1 1 47 47 GLU CB C 13 29.483 0.300 . 1 . . . . 47 GLU CB . 11317 1 522 . 1 1 47 47 GLU CG C 13 37.052 0.300 . 1 . . . . 47 GLU CG . 11317 1 523 . 1 1 47 47 GLU N N 15 119.478 0.300 . 1 . . . . 47 GLU N . 11317 1 524 . 1 1 48 48 LYS H H 1 7.350 0.030 . 1 . . . . 48 LYS H . 11317 1 525 . 1 1 48 48 LYS HA H 1 4.120 0.030 . 1 . . . . 48 LYS HA . 11317 1 526 . 1 1 48 48 LYS HB2 H 1 1.973 0.030 . 1 . . . . 48 LYS HB2 . 11317 1 527 . 1 1 48 48 LYS HB3 H 1 1.973 0.030 . 1 . . . . 48 LYS HB3 . 11317 1 528 . 1 1 48 48 LYS HD2 H 1 1.693 0.030 . 2 . . . . 48 LYS HD2 . 11317 1 529 . 1 1 48 48 LYS HD3 H 1 1.727 0.030 . 2 . . . . 48 LYS HD3 . 11317 1 530 . 1 1 48 48 LYS HE2 H 1 2.965 0.030 . 1 . . . . 48 LYS HE2 . 11317 1 531 . 1 1 48 48 LYS HE3 H 1 2.965 0.030 . 1 . . . . 48 LYS HE3 . 11317 1 532 . 1 1 48 48 LYS HG2 H 1 1.452 0.030 . 2 . . . . 48 LYS HG2 . 11317 1 533 . 1 1 48 48 LYS HG3 H 1 1.664 0.030 . 2 . . . . 48 LYS HG3 . 11317 1 534 . 1 1 48 48 LYS C C 13 179.635 0.300 . 1 . . . . 48 LYS C . 11317 1 535 . 1 1 48 48 LYS CA C 13 59.469 0.300 . 1 . . . . 48 LYS CA . 11317 1 536 . 1 1 48 48 LYS CB C 13 32.401 0.300 . 1 . . . . 48 LYS CB . 11317 1 537 . 1 1 48 48 LYS CD C 13 29.536 0.300 . 1 . . . . 48 LYS CD . 11317 1 538 . 1 1 48 48 LYS CE C 13 42.162 0.300 . 1 . . . . 48 LYS CE . 11317 1 539 . 1 1 48 48 LYS CG C 13 25.543 0.300 . 1 . . . . 48 LYS CG . 11317 1 540 . 1 1 48 48 LYS N N 15 118.768 0.300 . 1 . . . . 48 LYS N . 11317 1 541 . 1 1 49 49 LEU H H 1 7.990 0.030 . 1 . . . . 49 LEU H . 11317 1 542 . 1 1 49 49 LEU HA H 1 4.154 0.030 . 1 . . . . 49 LEU HA . 11317 1 543 . 1 1 49 49 LEU HB2 H 1 1.536 0.030 . 2 . . . . 49 LEU HB2 . 11317 1 544 . 1 1 49 49 LEU HB3 H 1 1.928 0.030 . 2 . . . . 49 LEU HB3 . 11317 1 545 . 1 1 49 49 LEU HD11 H 1 0.816 0.030 . 1 . . . . 49 LEU HD1 . 11317 1 546 . 1 1 49 49 LEU HD12 H 1 0.816 0.030 . 1 . . . . 49 LEU HD1 . 11317 1 547 . 1 1 49 49 LEU HD13 H 1 0.816 0.030 . 1 . . . . 49 LEU HD1 . 11317 1 548 . 1 1 49 49 LEU HD21 H 1 0.892 0.030 . 1 . . . . 49 LEU HD2 . 11317 1 549 . 1 1 49 49 LEU HD22 H 1 0.892 0.030 . 1 . . . . 49 LEU HD2 . 11317 1 550 . 1 1 49 49 LEU HD23 H 1 0.892 0.030 . 1 . . . . 49 LEU HD2 . 11317 1 551 . 1 1 49 49 LEU HG H 1 1.838 0.030 . 1 . . . . 49 LEU HG . 11317 1 552 . 1 1 49 49 LEU C C 13 180.326 0.300 . 1 . . . . 49 LEU C . 11317 1 553 . 1 1 49 49 LEU CA C 13 57.630 0.300 . 1 . . . . 49 LEU CA . 11317 1 554 . 1 1 49 49 LEU CB C 13 42.266 0.300 . 1 . . . . 49 LEU CB . 11317 1 555 . 1 1 49 49 LEU CD1 C 13 24.982 0.300 . 2 . . . . 49 LEU CD1 . 11317 1 556 . 1 1 49 49 LEU CD2 C 13 22.912 0.300 . 2 . . . . 49 LEU CD2 . 11317 1 557 . 1 1 49 49 LEU CG C 13 27.023 0.300 . 1 . . . . 49 LEU CG . 11317 1 558 . 1 1 49 49 LEU N N 15 120.423 0.300 . 1 . . . . 49 LEU N . 11317 1 559 . 1 1 50 50 LEU H H 1 8.731 0.030 . 1 . . . . 50 LEU H . 11317 1 560 . 1 1 50 50 LEU HA H 1 3.973 0.030 . 1 . . . . 50 LEU HA . 11317 1 561 . 1 1 50 50 LEU HB2 H 1 1.729 0.030 . 2 . . . . 50 LEU HB2 . 11317 1 562 . 1 1 50 50 LEU HB3 H 1 1.526 0.030 . 2 . . . . 50 LEU HB3 . 11317 1 563 . 1 1 50 50 LEU HD11 H 1 0.716 0.030 . 1 . . . . 50 LEU HD1 . 11317 1 564 . 1 1 50 50 LEU HD12 H 1 0.716 0.030 . 1 . . . . 50 LEU HD1 . 11317 1 565 . 1 1 50 50 LEU HD13 H 1 0.716 0.030 . 1 . . . . 50 LEU HD1 . 11317 1 566 . 1 1 50 50 LEU HD21 H 1 0.718 0.030 . 1 . . . . 50 LEU HD2 . 11317 1 567 . 1 1 50 50 LEU HD22 H 1 0.718 0.030 . 1 . . . . 50 LEU HD2 . 11317 1 568 . 1 1 50 50 LEU HD23 H 1 0.718 0.030 . 1 . . . . 50 LEU HD2 . 11317 1 569 . 1 1 50 50 LEU HG H 1 1.584 0.030 . 1 . . . . 50 LEU HG . 11317 1 570 . 1 1 50 50 LEU C C 13 178.533 0.300 . 1 . . . . 50 LEU C . 11317 1 571 . 1 1 50 50 LEU CA C 13 57.552 0.300 . 1 . . . . 50 LEU CA . 11317 1 572 . 1 1 50 50 LEU CB C 13 42.102 0.300 . 1 . . . . 50 LEU CB . 11317 1 573 . 1 1 50 50 LEU CD1 C 13 24.808 0.300 . 2 . . . . 50 LEU CD1 . 11317 1 574 . 1 1 50 50 LEU CD2 C 13 24.572 0.300 . 2 . . . . 50 LEU CD2 . 11317 1 575 . 1 1 50 50 LEU CG C 13 27.046 0.300 . 1 . . . . 50 LEU CG . 11317 1 576 . 1 1 50 50 LEU N N 15 121.682 0.300 . 1 . . . . 50 LEU N . 11317 1 577 . 1 1 51 51 ALA H H 1 7.686 0.030 . 1 . . . . 51 ALA H . 11317 1 578 . 1 1 51 51 ALA HA H 1 4.271 0.030 . 1 . . . . 51 ALA HA . 11317 1 579 . 1 1 51 51 ALA HB1 H 1 1.544 0.030 . 1 . . . . 51 ALA HB . 11317 1 580 . 1 1 51 51 ALA HB2 H 1 1.544 0.030 . 1 . . . . 51 ALA HB . 11317 1 581 . 1 1 51 51 ALA HB3 H 1 1.544 0.030 . 1 . . . . 51 ALA HB . 11317 1 582 . 1 1 51 51 ALA C C 13 178.727 0.300 . 1 . . . . 51 ALA C . 11317 1 583 . 1 1 51 51 ALA CA C 13 54.125 0.300 . 1 . . . . 51 ALA CA . 11317 1 584 . 1 1 51 51 ALA CB C 13 18.508 0.300 . 1 . . . . 51 ALA CB . 11317 1 585 . 1 1 51 51 ALA N N 15 120.010 0.300 . 1 . . . . 51 ALA N . 11317 1 586 . 1 1 52 52 SER H H 1 7.534 0.030 . 1 . . . . 52 SER H . 11317 1 587 . 1 1 52 52 SER HA H 1 4.628 0.030 . 1 . . . . 52 SER HA . 11317 1 588 . 1 1 52 52 SER HB2 H 1 3.972 0.030 . 2 . . . . 52 SER HB2 . 11317 1 589 . 1 1 52 52 SER HB3 H 1 4.035 0.030 . 2 . . . . 52 SER HB3 . 11317 1 590 . 1 1 52 52 SER C C 13 174.390 0.300 . 1 . . . . 52 SER C . 11317 1 591 . 1 1 52 52 SER CA C 13 58.306 0.300 . 1 . . . . 52 SER CA . 11317 1 592 . 1 1 52 52 SER CB C 13 64.216 0.300 . 1 . . . . 52 SER CB . 11317 1 593 . 1 1 52 52 SER N N 15 110.638 0.300 . 1 . . . . 52 SER N . 11317 1 594 . 1 1 53 53 SER H H 1 7.646 0.030 . 1 . . . . 53 SER H . 11317 1 595 . 1 1 53 53 SER HA H 1 4.676 0.030 . 1 . . . . 53 SER HA . 11317 1 596 . 1 1 53 53 SER HB2 H 1 3.920 0.030 . 2 . . . . 53 SER HB2 . 11317 1 597 . 1 1 53 53 SER HB3 H 1 3.992 0.030 . 2 . . . . 53 SER HB3 . 11317 1 598 . 1 1 53 53 SER C C 13 174.232 0.300 . 1 . . . . 53 SER C . 11317 1 599 . 1 1 53 53 SER CA C 13 58.449 0.300 . 1 . . . . 53 SER CA . 11317 1 600 . 1 1 53 53 SER CB C 13 64.421 0.300 . 1 . . . . 53 SER CB . 11317 1 601 . 1 1 53 53 SER N N 15 117.111 0.300 . 1 . . . . 53 SER N . 11317 1 602 . 1 1 54 54 ILE H H 1 8.358 0.030 . 1 . . . . 54 ILE H . 11317 1 603 . 1 1 54 54 ILE HA H 1 4.313 0.030 . 1 . . . . 54 ILE HA . 11317 1 604 . 1 1 54 54 ILE HB H 1 1.964 0.030 . 1 . . . . 54 ILE HB . 11317 1 605 . 1 1 54 54 ILE HD11 H 1 0.875 0.030 . 1 . . . . 54 ILE HD1 . 11317 1 606 . 1 1 54 54 ILE HD12 H 1 0.875 0.030 . 1 . . . . 54 ILE HD1 . 11317 1 607 . 1 1 54 54 ILE HD13 H 1 0.875 0.030 . 1 . . . . 54 ILE HD1 . 11317 1 608 . 1 1 54 54 ILE HG12 H 1 1.183 0.030 . 2 . . . . 54 ILE HG12 . 11317 1 609 . 1 1 54 54 ILE HG13 H 1 1.420 0.030 . 2 . . . . 54 ILE HG13 . 11317 1 610 . 1 1 54 54 ILE HG21 H 1 0.917 0.030 . 1 . . . . 54 ILE HG2 . 11317 1 611 . 1 1 54 54 ILE HG22 H 1 0.917 0.030 . 1 . . . . 54 ILE HG2 . 11317 1 612 . 1 1 54 54 ILE HG23 H 1 0.917 0.030 . 1 . . . . 54 ILE HG2 . 11317 1 613 . 1 1 54 54 ILE C C 13 176.150 0.300 . 1 . . . . 54 ILE C . 11317 1 614 . 1 1 54 54 ILE CA C 13 61.995 0.300 . 1 . . . . 54 ILE CA . 11317 1 615 . 1 1 54 54 ILE CB C 13 38.814 0.300 . 1 . . . . 54 ILE CB . 11317 1 616 . 1 1 54 54 ILE CD1 C 13 13.235 0.300 . 1 . . . . 54 ILE CD1 . 11317 1 617 . 1 1 54 54 ILE CG1 C 13 27.173 0.300 . 1 . . . . 54 ILE CG1 . 11317 1 618 . 1 1 54 54 ILE CG2 C 13 17.574 0.300 . 1 . . . . 54 ILE CG2 . 11317 1 619 . 1 1 54 54 ILE N N 15 120.645 0.300 . 1 . . . . 54 ILE N . 11317 1 620 . 1 1 55 55 ASN H H 1 8.586 0.030 . 1 . . . . 55 ASN H . 11317 1 621 . 1 1 55 55 ASN HA H 1 4.723 0.030 . 1 . . . . 55 ASN HA . 11317 1 622 . 1 1 55 55 ASN HB2 H 1 2.770 0.030 . 2 . . . . 55 ASN HB2 . 11317 1 623 . 1 1 55 55 ASN HB3 H 1 2.906 0.030 . 2 . . . . 55 ASN HB3 . 11317 1 624 . 1 1 55 55 ASN HD21 H 1 7.574 0.030 . 2 . . . . 55 ASN HD21 . 11317 1 625 . 1 1 55 55 ASN HD22 H 1 6.893 0.030 . 2 . . . . 55 ASN HD22 . 11317 1 626 . 1 1 55 55 ASN C C 13 176.159 0.300 . 1 . . . . 55 ASN C . 11317 1 627 . 1 1 55 55 ASN CA C 13 53.312 0.300 . 1 . . . . 55 ASN CA . 11317 1 628 . 1 1 55 55 ASN CB C 13 38.460 0.300 . 1 . . . . 55 ASN CB . 11317 1 629 . 1 1 55 55 ASN N N 15 119.712 0.300 . 1 . . . . 55 ASN N . 11317 1 630 . 1 1 55 55 ASN ND2 N 15 112.443 0.300 . 1 . . . . 55 ASN ND2 . 11317 1 631 . 1 1 56 56 GLY H H 1 7.945 0.030 . 1 . . . . 56 GLY H . 11317 1 632 . 1 1 56 56 GLY HA2 H 1 3.893 0.030 . 2 . . . . 56 GLY HA2 . 11317 1 633 . 1 1 56 56 GLY HA3 H 1 4.309 0.030 . 2 . . . . 56 GLY HA3 . 11317 1 634 . 1 1 56 56 GLY C C 13 172.234 0.300 . 1 . . . . 56 GLY C . 11317 1 635 . 1 1 56 56 GLY CA C 13 44.808 0.300 . 1 . . . . 56 GLY CA . 11317 1 636 . 1 1 56 56 GLY N N 15 107.509 0.300 . 1 . . . . 56 GLY N . 11317 1 637 . 1 1 57 57 VAL H H 1 8.370 0.030 . 1 . . . . 57 VAL H . 11317 1 638 . 1 1 57 57 VAL HA H 1 4.164 0.030 . 1 . . . . 57 VAL HA . 11317 1 639 . 1 1 57 57 VAL HB H 1 1.869 0.030 . 1 . . . . 57 VAL HB . 11317 1 640 . 1 1 57 57 VAL HG11 H 1 0.767 0.030 . 1 . . . . 57 VAL HG1 . 11317 1 641 . 1 1 57 57 VAL HG12 H 1 0.767 0.030 . 1 . . . . 57 VAL HG1 . 11317 1 642 . 1 1 57 57 VAL HG13 H 1 0.767 0.030 . 1 . . . . 57 VAL HG1 . 11317 1 643 . 1 1 57 57 VAL HG21 H 1 0.810 0.030 . 1 . . . . 57 VAL HG2 . 11317 1 644 . 1 1 57 57 VAL HG22 H 1 0.810 0.030 . 1 . . . . 57 VAL HG2 . 11317 1 645 . 1 1 57 57 VAL HG23 H 1 0.810 0.030 . 1 . . . . 57 VAL HG2 . 11317 1 646 . 1 1 57 57 VAL C C 13 173.949 0.300 . 1 . . . . 57 VAL C . 11317 1 647 . 1 1 57 57 VAL CA C 13 60.927 0.300 . 1 . . . . 57 VAL CA . 11317 1 648 . 1 1 57 57 VAL CB C 13 34.296 0.300 . 1 . . . . 57 VAL CB . 11317 1 649 . 1 1 57 57 VAL CG1 C 13 21.473 0.300 . 2 . . . . 57 VAL CG1 . 11317 1 650 . 1 1 57 57 VAL CG2 C 13 21.248 0.300 . 2 . . . . 57 VAL CG2 . 11317 1 651 . 1 1 57 57 VAL N N 15 118.213 0.300 . 1 . . . . 57 VAL N . 11317 1 652 . 1 1 58 58 ARG H H 1 8.787 0.030 . 1 . . . . 58 ARG H . 11317 1 653 . 1 1 58 58 ARG HA H 1 4.236 0.030 . 1 . . . . 58 ARG HA . 11317 1 654 . 1 1 58 58 ARG HB2 H 1 1.681 0.030 . 2 . . . . 58 ARG HB2 . 11317 1 655 . 1 1 58 58 ARG HB3 H 1 1.517 0.030 . 2 . . . . 58 ARG HB3 . 11317 1 656 . 1 1 58 58 ARG HD2 H 1 3.137 0.030 . 1 . . . . 58 ARG HD2 . 11317 1 657 . 1 1 58 58 ARG HD3 H 1 3.137 0.030 . 1 . . . . 58 ARG HD3 . 11317 1 658 . 1 1 58 58 ARG HG2 H 1 1.356 0.030 . 2 . . . . 58 ARG HG2 . 11317 1 659 . 1 1 58 58 ARG HG3 H 1 1.219 0.030 . 2 . . . . 58 ARG HG3 . 11317 1 660 . 1 1 58 58 ARG C C 13 174.669 0.300 . 1 . . . . 58 ARG C . 11317 1 661 . 1 1 58 58 ARG CA C 13 54.943 0.300 . 1 . . . . 58 ARG CA . 11317 1 662 . 1 1 58 58 ARG CB C 13 30.633 0.300 . 1 . . . . 58 ARG CB . 11317 1 663 . 1 1 58 58 ARG CD C 13 43.490 0.300 . 1 . . . . 58 ARG CD . 11317 1 664 . 1 1 58 58 ARG CG C 13 27.407 0.300 . 1 . . . . 58 ARG CG . 11317 1 665 . 1 1 58 58 ARG N N 15 128.625 0.300 . 1 . . . . 58 ARG N . 11317 1 666 . 1 1 59 59 CYS H H 1 8.350 0.030 . 1 . . . . 59 CYS H . 11317 1 667 . 1 1 59 59 CYS HA H 1 4.245 0.030 . 1 . . . . 59 CYS HA . 11317 1 668 . 1 1 59 59 CYS HB2 H 1 3.149 0.030 . 2 . . . . 59 CYS HB2 . 11317 1 669 . 1 1 59 59 CYS HB3 H 1 3.223 0.030 . 2 . . . . 59 CYS HB3 . 11317 1 670 . 1 1 59 59 CYS C C 13 176.304 0.300 . 1 . . . . 59 CYS C . 11317 1 671 . 1 1 59 59 CYS CA C 13 57.166 0.300 . 1 . . . . 59 CYS CA . 11317 1 672 . 1 1 59 59 CYS CB C 13 31.803 0.300 . 1 . . . . 59 CYS CB . 11317 1 673 . 1 1 59 59 CYS N N 15 130.205 0.300 . 1 . . . . 59 CYS N . 11317 1 674 . 1 1 60 60 PRO HA H 1 4.263 0.030 . 1 . . . . 60 PRO HA . 11317 1 675 . 1 1 60 60 PRO HB2 H 1 2.086 0.030 . 2 . . . . 60 PRO HB2 . 11317 1 676 . 1 1 60 60 PRO HB3 H 1 1.198 0.030 . 2 . . . . 60 PRO HB3 . 11317 1 677 . 1 1 60 60 PRO HD2 H 1 3.733 0.030 . 2 . . . . 60 PRO HD2 . 11317 1 678 . 1 1 60 60 PRO HD3 H 1 3.819 0.030 . 2 . . . . 60 PRO HD3 . 11317 1 679 . 1 1 60 60 PRO HG2 H 1 1.293 0.030 . 2 . . . . 60 PRO HG2 . 11317 1 680 . 1 1 60 60 PRO HG3 H 1 1.740 0.030 . 2 . . . . 60 PRO HG3 . 11317 1 681 . 1 1 60 60 PRO C C 13 176.352 0.300 . 1 . . . . 60 PRO C . 11317 1 682 . 1 1 60 60 PRO CA C 13 63.787 0.300 . 1 . . . . 60 PRO CA . 11317 1 683 . 1 1 60 60 PRO CB C 13 31.879 0.300 . 1 . . . . 60 PRO CB . 11317 1 684 . 1 1 60 60 PRO CD C 13 50.515 0.300 . 1 . . . . 60 PRO CD . 11317 1 685 . 1 1 60 60 PRO CG C 13 27.052 0.300 . 1 . . . . 60 PRO CG . 11317 1 686 . 1 1 61 61 PHE H H 1 9.121 0.030 . 1 . . . . 61 PHE H . 11317 1 687 . 1 1 61 61 PHE HA H 1 4.498 0.030 . 1 . . . . 61 PHE HA . 11317 1 688 . 1 1 61 61 PHE HB2 H 1 1.918 0.030 . 2 . . . . 61 PHE HB2 . 11317 1 689 . 1 1 61 61 PHE HB3 H 1 2.767 0.030 . 2 . . . . 61 PHE HB3 . 11317 1 690 . 1 1 61 61 PHE HD1 H 1 6.994 0.030 . 1 . . . . 61 PHE HD1 . 11317 1 691 . 1 1 61 61 PHE HD2 H 1 6.994 0.030 . 1 . . . . 61 PHE HD2 . 11317 1 692 . 1 1 61 61 PHE HE1 H 1 7.302 0.030 . 1 . . . . 61 PHE HE1 . 11317 1 693 . 1 1 61 61 PHE HE2 H 1 7.302 0.030 . 1 . . . . 61 PHE HE2 . 11317 1 694 . 1 1 61 61 PHE HZ H 1 7.157 0.030 . 1 . . . . 61 PHE HZ . 11317 1 695 . 1 1 61 61 PHE C C 13 176.910 0.300 . 1 . . . . 61 PHE C . 11317 1 696 . 1 1 61 61 PHE CA C 13 59.424 0.300 . 1 . . . . 61 PHE CA . 11317 1 697 . 1 1 61 61 PHE CB C 13 38.850 0.300 . 1 . . . . 61 PHE CB . 11317 1 698 . 1 1 61 61 PHE CD1 C 13 131.512 0.300 . 1 . . . . 61 PHE CD1 . 11317 1 699 . 1 1 61 61 PHE CD2 C 13 131.512 0.300 . 1 . . . . 61 PHE CD2 . 11317 1 700 . 1 1 61 61 PHE CE1 C 13 131.002 0.300 . 1 . . . . 61 PHE CE1 . 11317 1 701 . 1 1 61 61 PHE CE2 C 13 131.002 0.300 . 1 . . . . 61 PHE CE2 . 11317 1 702 . 1 1 61 61 PHE CZ C 13 130.537 0.300 . 1 . . . . 61 PHE CZ . 11317 1 703 . 1 1 61 61 PHE N N 15 120.124 0.300 . 1 . . . . 61 PHE N . 11317 1 704 . 1 1 62 62 CYS H H 1 8.450 0.030 . 1 . . . . 62 CYS H . 11317 1 705 . 1 1 62 62 CYS HA H 1 5.159 0.030 . 1 . . . . 62 CYS HA . 11317 1 706 . 1 1 62 62 CYS HB2 H 1 3.478 0.030 . 2 . . . . 62 CYS HB2 . 11317 1 707 . 1 1 62 62 CYS HB3 H 1 2.866 0.030 . 2 . . . . 62 CYS HB3 . 11317 1 708 . 1 1 62 62 CYS C C 13 176.013 0.300 . 1 . . . . 62 CYS C . 11317 1 709 . 1 1 62 62 CYS CA C 13 58.549 0.300 . 1 . . . . 62 CYS CA . 11317 1 710 . 1 1 62 62 CYS CB C 13 32.689 0.300 . 1 . . . . 62 CYS CB . 11317 1 711 . 1 1 62 62 CYS N N 15 118.013 0.300 . 1 . . . . 62 CYS N . 11317 1 712 . 1 1 63 63 SER H H 1 7.955 0.030 . 1 . . . . 63 SER H . 11317 1 713 . 1 1 63 63 SER HA H 1 4.216 0.030 . 1 . . . . 63 SER HA . 11317 1 714 . 1 1 63 63 SER HB2 H 1 4.035 0.030 . 2 . . . . 63 SER HB2 . 11317 1 715 . 1 1 63 63 SER HB3 H 1 4.230 0.030 . 2 . . . . 63 SER HB3 . 11317 1 716 . 1 1 63 63 SER C C 13 172.754 0.300 . 1 . . . . 63 SER C . 11317 1 717 . 1 1 63 63 SER CA C 13 61.594 0.300 . 1 . . . . 63 SER CA . 11317 1 718 . 1 1 63 63 SER CB C 13 62.695 0.300 . 1 . . . . 63 SER CB . 11317 1 719 . 1 1 63 63 SER N N 15 115.435 0.300 . 1 . . . . 63 SER N . 11317 1 720 . 1 1 64 64 LYS H H 1 8.106 0.030 . 1 . . . . 64 LYS H . 11317 1 721 . 1 1 64 64 LYS HA H 1 4.424 0.030 . 1 . . . . 64 LYS HA . 11317 1 722 . 1 1 64 64 LYS HB2 H 1 1.860 0.030 . 1 . . . . 64 LYS HB2 . 11317 1 723 . 1 1 64 64 LYS HB3 H 1 1.860 0.030 . 1 . . . . 64 LYS HB3 . 11317 1 724 . 1 1 64 64 LYS HD2 H 1 1.738 0.030 . 2 . . . . 64 LYS HD2 . 11317 1 725 . 1 1 64 64 LYS HD3 H 1 1.779 0.030 . 2 . . . . 64 LYS HD3 . 11317 1 726 . 1 1 64 64 LYS HE2 H 1 3.071 0.030 . 1 . . . . 64 LYS HE2 . 11317 1 727 . 1 1 64 64 LYS HE3 H 1 3.071 0.030 . 1 . . . . 64 LYS HE3 . 11317 1 728 . 1 1 64 64 LYS HG2 H 1 1.498 0.030 . 2 . . . . 64 LYS HG2 . 11317 1 729 . 1 1 64 64 LYS HG3 H 1 1.735 0.030 . 2 . . . . 64 LYS HG3 . 11317 1 730 . 1 1 64 64 LYS C C 13 178.533 0.300 . 1 . . . . 64 LYS C . 11317 1 731 . 1 1 64 64 LYS CA C 13 57.526 0.300 . 1 . . . . 64 LYS CA . 11317 1 732 . 1 1 64 64 LYS CB C 13 33.192 0.300 . 1 . . . . 64 LYS CB . 11317 1 733 . 1 1 64 64 LYS CD C 13 29.329 0.300 . 1 . . . . 64 LYS CD . 11317 1 734 . 1 1 64 64 LYS CE C 13 42.560 0.300 . 1 . . . . 64 LYS CE . 11317 1 735 . 1 1 64 64 LYS CG C 13 26.431 0.300 . 1 . . . . 64 LYS CG . 11317 1 736 . 1 1 64 64 LYS N N 15 122.139 0.300 . 1 . . . . 64 LYS N . 11317 1 737 . 1 1 65 65 ILE H H 1 9.050 0.030 . 1 . . . . 65 ILE H . 11317 1 738 . 1 1 65 65 ILE HA H 1 4.695 0.030 . 1 . . . . 65 ILE HA . 11317 1 739 . 1 1 65 65 ILE HB H 1 1.836 0.030 . 1 . . . . 65 ILE HB . 11317 1 740 . 1 1 65 65 ILE HD11 H 1 0.787 0.030 . 1 . . . . 65 ILE HD1 . 11317 1 741 . 1 1 65 65 ILE HD12 H 1 0.787 0.030 . 1 . . . . 65 ILE HD1 . 11317 1 742 . 1 1 65 65 ILE HD13 H 1 0.787 0.030 . 1 . . . . 65 ILE HD1 . 11317 1 743 . 1 1 65 65 ILE HG12 H 1 1.067 0.030 . 2 . . . . 65 ILE HG12 . 11317 1 744 . 1 1 65 65 ILE HG13 H 1 1.576 0.030 . 2 . . . . 65 ILE HG13 . 11317 1 745 . 1 1 65 65 ILE HG21 H 1 0.691 0.030 . 1 . . . . 65 ILE HG2 . 11317 1 746 . 1 1 65 65 ILE HG22 H 1 0.691 0.030 . 1 . . . . 65 ILE HG2 . 11317 1 747 . 1 1 65 65 ILE HG23 H 1 0.691 0.030 . 1 . . . . 65 ILE HG2 . 11317 1 748 . 1 1 65 65 ILE C C 13 177.237 0.300 . 1 . . . . 65 ILE C . 11317 1 749 . 1 1 65 65 ILE CA C 13 60.418 0.300 . 1 . . . . 65 ILE CA . 11317 1 750 . 1 1 65 65 ILE CB C 13 38.854 0.300 . 1 . . . . 65 ILE CB . 11317 1 751 . 1 1 65 65 ILE CD1 C 13 11.979 0.300 . 1 . . . . 65 ILE CD1 . 11317 1 752 . 1 1 65 65 ILE CG1 C 13 28.065 0.300 . 1 . . . . 65 ILE CG1 . 11317 1 753 . 1 1 65 65 ILE CG2 C 13 17.569 0.300 . 1 . . . . 65 ILE CG2 . 11317 1 754 . 1 1 65 65 ILE N N 15 126.631 0.300 . 1 . . . . 65 ILE N . 11317 1 755 . 1 1 66 66 THR H H 1 9.327 0.030 . 1 . . . . 66 THR H . 11317 1 756 . 1 1 66 66 THR HA H 1 4.378 0.030 . 1 . . . . 66 THR HA . 11317 1 757 . 1 1 66 66 THR HB H 1 3.965 0.030 . 1 . . . . 66 THR HB . 11317 1 758 . 1 1 66 66 THR HG21 H 1 0.553 0.030 . 1 . . . . 66 THR HG2 . 11317 1 759 . 1 1 66 66 THR HG22 H 1 0.553 0.030 . 1 . . . . 66 THR HG2 . 11317 1 760 . 1 1 66 66 THR HG23 H 1 0.553 0.030 . 1 . . . . 66 THR HG2 . 11317 1 761 . 1 1 66 66 THR C C 13 173.905 0.300 . 1 . . . . 66 THR C . 11317 1 762 . 1 1 66 66 THR CA C 13 63.067 0.300 . 1 . . . . 66 THR CA . 11317 1 763 . 1 1 66 66 THR CB C 13 70.311 0.300 . 1 . . . . 66 THR CB . 11317 1 764 . 1 1 66 66 THR CG2 C 13 20.836 0.300 . 1 . . . . 66 THR CG2 . 11317 1 765 . 1 1 66 66 THR N N 15 127.023 0.300 . 1 . . . . 66 THR N . 11317 1 766 . 1 1 67 67 ARG H H 1 9.198 0.030 . 1 . . . . 67 ARG H . 11317 1 767 . 1 1 67 67 ARG HA H 1 4.379 0.030 . 1 . . . . 67 ARG HA . 11317 1 768 . 1 1 67 67 ARG HB2 H 1 1.843 0.030 . 1 . . . . 67 ARG HB2 . 11317 1 769 . 1 1 67 67 ARG HB3 H 1 1.843 0.030 . 1 . . . . 67 ARG HB3 . 11317 1 770 . 1 1 67 67 ARG HD2 H 1 3.204 0.030 . 1 . . . . 67 ARG HD2 . 11317 1 771 . 1 1 67 67 ARG HD3 H 1 3.204 0.030 . 1 . . . . 67 ARG HD3 . 11317 1 772 . 1 1 67 67 ARG HG2 H 1 1.511 0.030 . 2 . . . . 67 ARG HG2 . 11317 1 773 . 1 1 67 67 ARG HG3 H 1 1.648 0.030 . 2 . . . . 67 ARG HG3 . 11317 1 774 . 1 1 67 67 ARG CA C 13 56.237 0.300 . 1 . . . . 67 ARG CA . 11317 1 775 . 1 1 67 67 ARG CB C 13 28.650 0.300 . 1 . . . . 67 ARG CB . 11317 1 776 . 1 1 67 67 ARG CD C 13 43.403 0.300 . 1 . . . . 67 ARG CD . 11317 1 777 . 1 1 67 67 ARG CG C 13 27.673 0.300 . 1 . . . . 67 ARG CG . 11317 1 778 . 1 1 67 67 ARG N N 15 131.581 0.300 . 1 . . . . 67 ARG N . 11317 1 779 . 1 1 68 68 ILE H H 1 7.299 0.030 . 1 . . . . 68 ILE H . 11317 1 780 . 1 1 68 68 ILE HA H 1 4.702 0.030 . 1 . . . . 68 ILE HA . 11317 1 781 . 1 1 68 68 ILE HB H 1 2.106 0.030 . 1 . . . . 68 ILE HB . 11317 1 782 . 1 1 68 68 ILE HD11 H 1 0.668 0.030 . 1 . . . . 68 ILE HD1 . 11317 1 783 . 1 1 68 68 ILE HD12 H 1 0.668 0.030 . 1 . . . . 68 ILE HD1 . 11317 1 784 . 1 1 68 68 ILE HD13 H 1 0.668 0.030 . 1 . . . . 68 ILE HD1 . 11317 1 785 . 1 1 68 68 ILE HG12 H 1 1.252 0.030 . 2 . . . . 68 ILE HG12 . 11317 1 786 . 1 1 68 68 ILE HG13 H 1 0.868 0.030 . 2 . . . . 68 ILE HG13 . 11317 1 787 . 1 1 68 68 ILE HG21 H 1 0.786 0.030 . 1 . . . . 68 ILE HG2 . 11317 1 788 . 1 1 68 68 ILE HG22 H 1 0.786 0.030 . 1 . . . . 68 ILE HG2 . 11317 1 789 . 1 1 68 68 ILE HG23 H 1 0.786 0.030 . 1 . . . . 68 ILE HG2 . 11317 1 790 . 1 1 68 68 ILE CA C 13 59.418 0.300 . 1 . . . . 68 ILE CA . 11317 1 791 . 1 1 68 68 ILE CB C 13 42.169 0.300 . 1 . . . . 68 ILE CB . 11317 1 792 . 1 1 68 68 ILE CD1 C 13 14.082 0.300 . 1 . . . . 68 ILE CD1 . 11317 1 793 . 1 1 68 68 ILE CG1 C 13 24.842 0.300 . 1 . . . . 68 ILE CG1 . 11317 1 794 . 1 1 68 68 ILE CG2 C 13 19.549 0.300 . 1 . . . . 68 ILE CG2 . 11317 1 795 . 1 1 68 68 ILE N N 15 117.848 0.300 . 1 . . . . 68 ILE N . 11317 1 796 . 1 1 69 69 THR H H 1 9.064 0.030 . 1 . . . . 69 THR H . 11317 1 797 . 1 1 69 69 THR HA H 1 4.460 0.030 . 1 . . . . 69 THR HA . 11317 1 798 . 1 1 69 69 THR HB H 1 4.371 0.030 . 1 . . . . 69 THR HB . 11317 1 799 . 1 1 69 69 THR HG21 H 1 1.199 0.030 . 1 . . . . 69 THR HG2 . 11317 1 800 . 1 1 69 69 THR HG22 H 1 1.199 0.030 . 1 . . . . 69 THR HG2 . 11317 1 801 . 1 1 69 69 THR HG23 H 1 1.199 0.030 . 1 . . . . 69 THR HG2 . 11317 1 802 . 1 1 69 69 THR CA C 13 61.797 0.300 . 1 . . . . 69 THR CA . 11317 1 803 . 1 1 69 69 THR CB C 13 70.154 0.300 . 1 . . . . 69 THR CB . 11317 1 804 . 1 1 69 69 THR CG2 C 13 21.844 0.300 . 1 . . . . 69 THR CG2 . 11317 1 805 . 1 1 69 69 THR N N 15 109.989 0.300 . 1 . . . . 69 THR N . 11317 1 806 . 1 1 70 70 SER H H 1 7.785 0.030 . 1 . . . . 70 SER H . 11317 1 807 . 1 1 70 70 SER HA H 1 4.715 0.030 . 1 . . . . 70 SER HA . 11317 1 808 . 1 1 70 70 SER HB2 H 1 3.563 0.030 . 2 . . . . 70 SER HB2 . 11317 1 809 . 1 1 70 70 SER HB3 H 1 3.934 0.030 . 2 . . . . 70 SER HB3 . 11317 1 810 . 1 1 70 70 SER CA C 13 56.543 0.300 . 1 . . . . 70 SER CA . 11317 1 811 . 1 1 70 70 SER CB C 13 64.692 0.300 . 1 . . . . 70 SER CB . 11317 1 812 . 1 1 70 70 SER N N 15 115.122 0.300 . 1 . . . . 70 SER N . 11317 1 813 . 1 1 71 71 LEU H H 1 9.174 0.030 . 1 . . . . 71 LEU H . 11317 1 814 . 1 1 71 71 LEU HA H 1 3.951 0.030 . 1 . . . . 71 LEU HA . 11317 1 815 . 1 1 71 71 LEU HB2 H 1 1.817 0.030 . 2 . . . . 71 LEU HB2 . 11317 1 816 . 1 1 71 71 LEU HB3 H 1 1.556 0.030 . 2 . . . . 71 LEU HB3 . 11317 1 817 . 1 1 71 71 LEU HD11 H 1 0.929 0.030 . 1 . . . . 71 LEU HD1 . 11317 1 818 . 1 1 71 71 LEU HD12 H 1 0.929 0.030 . 1 . . . . 71 LEU HD1 . 11317 1 819 . 1 1 71 71 LEU HD13 H 1 0.929 0.030 . 1 . . . . 71 LEU HD1 . 11317 1 820 . 1 1 71 71 LEU HD21 H 1 0.862 0.030 . 1 . . . . 71 LEU HD2 . 11317 1 821 . 1 1 71 71 LEU HD22 H 1 0.862 0.030 . 1 . . . . 71 LEU HD2 . 11317 1 822 . 1 1 71 71 LEU HD23 H 1 0.862 0.030 . 1 . . . . 71 LEU HD2 . 11317 1 823 . 1 1 71 71 LEU HG H 1 1.786 0.030 . 1 . . . . 71 LEU HG . 11317 1 824 . 1 1 71 71 LEU C C 13 178.242 0.300 . 1 . . . . 71 LEU C . 11317 1 825 . 1 1 71 71 LEU CA C 13 57.867 0.300 . 1 . . . . 71 LEU CA . 11317 1 826 . 1 1 71 71 LEU CB C 13 41.748 0.300 . 1 . . . . 71 LEU CB . 11317 1 827 . 1 1 71 71 LEU CD1 C 13 26.017 0.300 . 2 . . . . 71 LEU CD1 . 11317 1 828 . 1 1 71 71 LEU CD2 C 13 24.976 0.300 . 2 . . . . 71 LEU CD2 . 11317 1 829 . 1 1 71 71 LEU CG C 13 27.673 0.300 . 1 . . . . 71 LEU CG . 11317 1 830 . 1 1 71 71 LEU N N 15 126.579 0.300 . 1 . . . . 71 LEU N . 11317 1 831 . 1 1 72 72 THR H H 1 7.850 0.030 . 1 . . . . 72 THR H . 11317 1 832 . 1 1 72 72 THR HA H 1 4.177 0.030 . 1 . . . . 72 THR HA . 11317 1 833 . 1 1 72 72 THR HB H 1 4.325 0.030 . 1 . . . . 72 THR HB . 11317 1 834 . 1 1 72 72 THR HG21 H 1 1.284 0.030 . 1 . . . . 72 THR HG2 . 11317 1 835 . 1 1 72 72 THR HG22 H 1 1.284 0.030 . 1 . . . . 72 THR HG2 . 11317 1 836 . 1 1 72 72 THR HG23 H 1 1.284 0.030 . 1 . . . . 72 THR HG2 . 11317 1 837 . 1 1 72 72 THR C C 13 175.516 0.300 . 1 . . . . 72 THR C . 11317 1 838 . 1 1 72 72 THR CA C 13 63.601 0.300 . 1 . . . . 72 THR CA . 11317 1 839 . 1 1 72 72 THR CB C 13 68.863 0.300 . 1 . . . . 72 THR CB . 11317 1 840 . 1 1 72 72 THR CG2 C 13 21.877 0.300 . 1 . . . . 72 THR CG2 . 11317 1 841 . 1 1 72 72 THR N N 15 109.163 0.300 . 1 . . . . 72 THR N . 11317 1 842 . 1 1 73 73 GLN H H 1 7.563 0.030 . 1 . . . . 73 GLN H . 11317 1 843 . 1 1 73 73 GLN HA H 1 4.277 0.030 . 1 . . . . 73 GLN HA . 11317 1 844 . 1 1 73 73 GLN HB2 H 1 2.333 0.030 . 2 . . . . 73 GLN HB2 . 11317 1 845 . 1 1 73 73 GLN HB3 H 1 2.285 0.030 . 2 . . . . 73 GLN HB3 . 11317 1 846 . 1 1 73 73 GLN HE21 H 1 7.646 0.030 . 2 . . . . 73 GLN HE21 . 11317 1 847 . 1 1 73 73 GLN HE22 H 1 6.968 0.030 . 2 . . . . 73 GLN HE22 . 11317 1 848 . 1 1 73 73 GLN HG2 H 1 2.328 0.030 . 2 . . . . 73 GLN HG2 . 11317 1 849 . 1 1 73 73 GLN HG3 H 1 2.524 0.030 . 2 . . . . 73 GLN HG3 . 11317 1 850 . 1 1 73 73 GLN C C 13 176.316 0.300 . 1 . . . . 73 GLN C . 11317 1 851 . 1 1 73 73 GLN CA C 13 56.722 0.300 . 1 . . . . 73 GLN CA . 11317 1 852 . 1 1 73 73 GLN CB C 13 29.950 0.300 . 1 . . . . 73 GLN CB . 11317 1 853 . 1 1 73 73 GLN CG C 13 35.124 0.300 . 1 . . . . 73 GLN CG . 11317 1 854 . 1 1 73 73 GLN N N 15 118.185 0.300 . 1 . . . . 73 GLN N . 11317 1 855 . 1 1 73 73 GLN NE2 N 15 111.812 0.300 . 1 . . . . 73 GLN NE2 . 11317 1 856 . 1 1 74 74 LEU H H 1 7.532 0.030 . 1 . . . . 74 LEU H . 11317 1 857 . 1 1 74 74 LEU HA H 1 4.763 0.030 . 1 . . . . 74 LEU HA . 11317 1 858 . 1 1 74 74 LEU HB2 H 1 1.711 0.030 . 2 . . . . 74 LEU HB2 . 11317 1 859 . 1 1 74 74 LEU HB3 H 1 1.763 0.030 . 2 . . . . 74 LEU HB3 . 11317 1 860 . 1 1 74 74 LEU HD11 H 1 0.828 0.030 . 1 . . . . 74 LEU HD1 . 11317 1 861 . 1 1 74 74 LEU HD12 H 1 0.828 0.030 . 1 . . . . 74 LEU HD1 . 11317 1 862 . 1 1 74 74 LEU HD13 H 1 0.828 0.030 . 1 . . . . 74 LEU HD1 . 11317 1 863 . 1 1 74 74 LEU HD21 H 1 0.894 0.030 . 1 . . . . 74 LEU HD2 . 11317 1 864 . 1 1 74 74 LEU HD22 H 1 0.894 0.030 . 1 . . . . 74 LEU HD2 . 11317 1 865 . 1 1 74 74 LEU HD23 H 1 0.894 0.030 . 1 . . . . 74 LEU HD2 . 11317 1 866 . 1 1 74 74 LEU HG H 1 1.618 0.030 . 1 . . . . 74 LEU HG . 11317 1 867 . 1 1 74 74 LEU C C 13 176.982 0.300 . 1 . . . . 74 LEU C . 11317 1 868 . 1 1 74 74 LEU CA C 13 53.615 0.300 . 1 . . . . 74 LEU CA . 11317 1 869 . 1 1 74 74 LEU CB C 13 43.147 0.300 . 1 . . . . 74 LEU CB . 11317 1 870 . 1 1 74 74 LEU CD1 C 13 26.638 0.300 . 2 . . . . 74 LEU CD1 . 11317 1 871 . 1 1 74 74 LEU CD2 C 13 22.912 0.300 . 2 . . . . 74 LEU CD2 . 11317 1 872 . 1 1 74 74 LEU CG C 13 26.845 0.300 . 1 . . . . 74 LEU CG . 11317 1 873 . 1 1 74 74 LEU N N 15 118.833 0.300 . 1 . . . . 74 LEU N . 11317 1 874 . 1 1 75 75 THR H H 1 8.865 0.030 . 1 . . . . 75 THR H . 11317 1 875 . 1 1 75 75 THR HA H 1 4.342 0.030 . 1 . . . . 75 THR HA . 11317 1 876 . 1 1 75 75 THR HB H 1 4.276 0.030 . 1 . . . . 75 THR HB . 11317 1 877 . 1 1 75 75 THR HG21 H 1 1.323 0.030 . 1 . . . . 75 THR HG2 . 11317 1 878 . 1 1 75 75 THR HG22 H 1 1.323 0.030 . 1 . . . . 75 THR HG2 . 11317 1 879 . 1 1 75 75 THR HG23 H 1 1.323 0.030 . 1 . . . . 75 THR HG2 . 11317 1 880 . 1 1 75 75 THR C C 13 173.663 0.300 . 1 . . . . 75 THR C . 11317 1 881 . 1 1 75 75 THR CA C 13 61.739 0.300 . 1 . . . . 75 THR CA . 11317 1 882 . 1 1 75 75 THR CB C 13 70.240 0.300 . 1 . . . . 75 THR CB . 11317 1 883 . 1 1 75 75 THR CG2 C 13 21.877 0.300 . 1 . . . . 75 THR CG2 . 11317 1 884 . 1 1 75 75 THR N N 15 117.747 0.300 . 1 . . . . 75 THR N . 11317 1 885 . 1 1 76 76 ASP H H 1 8.417 0.030 . 1 . . . . 76 ASP H . 11317 1 886 . 1 1 76 76 ASP HA H 1 4.985 0.030 . 1 . . . . 76 ASP HA . 11317 1 887 . 1 1 76 76 ASP HB2 H 1 2.429 0.030 . 2 . . . . 76 ASP HB2 . 11317 1 888 . 1 1 76 76 ASP HB3 H 1 2.544 0.030 . 2 . . . . 76 ASP HB3 . 11317 1 889 . 1 1 76 76 ASP C C 13 176.086 0.300 . 1 . . . . 76 ASP C . 11317 1 890 . 1 1 76 76 ASP CA C 13 54.062 0.300 . 1 . . . . 76 ASP CA . 11317 1 891 . 1 1 76 76 ASP CB C 13 42.101 0.300 . 1 . . . . 76 ASP CB . 11317 1 892 . 1 1 76 76 ASP N N 15 122.014 0.300 . 1 . . . . 76 ASP N . 11317 1 893 . 1 1 77 77 ASN H H 1 8.185 0.030 . 1 . . . . 77 ASN H . 11317 1 894 . 1 1 77 77 ASN HA H 1 4.772 0.030 . 1 . . . . 77 ASN HA . 11317 1 895 . 1 1 77 77 ASN HB2 H 1 2.706 0.030 . 2 . . . . 77 ASN HB2 . 11317 1 896 . 1 1 77 77 ASN HB3 H 1 2.306 0.030 . 2 . . . . 77 ASN HB3 . 11317 1 897 . 1 1 77 77 ASN HD21 H 1 7.797 0.030 . 2 . . . . 77 ASN HD21 . 11317 1 898 . 1 1 77 77 ASN HD22 H 1 7.093 0.030 . 2 . . . . 77 ASN HD22 . 11317 1 899 . 1 1 77 77 ASN C C 13 174.717 0.300 . 1 . . . . 77 ASN C . 11317 1 900 . 1 1 77 77 ASN CA C 13 51.625 0.300 . 1 . . . . 77 ASN CA . 11317 1 901 . 1 1 77 77 ASN CB C 13 37.950 0.300 . 1 . . . . 77 ASN CB . 11317 1 902 . 1 1 77 77 ASN N N 15 118.370 0.300 . 1 . . . . 77 ASN N . 11317 1 903 . 1 1 77 77 ASN ND2 N 15 113.061 0.300 . 1 . . . . 77 ASN ND2 . 11317 1 904 . 1 1 78 78 LEU H H 1 8.259 0.030 . 1 . . . . 78 LEU H . 11317 1 905 . 1 1 78 78 LEU HA H 1 4.135 0.030 . 1 . . . . 78 LEU HA . 11317 1 906 . 1 1 78 78 LEU HB2 H 1 1.634 0.030 . 2 . . . . 78 LEU HB2 . 11317 1 907 . 1 1 78 78 LEU HB3 H 1 1.719 0.030 . 2 . . . . 78 LEU HB3 . 11317 1 908 . 1 1 78 78 LEU HD11 H 1 0.822 0.030 . 1 . . . . 78 LEU HD1 . 11317 1 909 . 1 1 78 78 LEU HD12 H 1 0.822 0.030 . 1 . . . . 78 LEU HD1 . 11317 1 910 . 1 1 78 78 LEU HD13 H 1 0.822 0.030 . 1 . . . . 78 LEU HD1 . 11317 1 911 . 1 1 78 78 LEU HD21 H 1 0.948 0.030 . 1 . . . . 78 LEU HD2 . 11317 1 912 . 1 1 78 78 LEU HD22 H 1 0.948 0.030 . 1 . . . . 78 LEU HD2 . 11317 1 913 . 1 1 78 78 LEU HD23 H 1 0.948 0.030 . 1 . . . . 78 LEU HD2 . 11317 1 914 . 1 1 78 78 LEU HG H 1 1.646 0.030 . 1 . . . . 78 LEU HG . 11317 1 915 . 1 1 78 78 LEU C C 13 178.424 0.300 . 1 . . . . 78 LEU C . 11317 1 916 . 1 1 78 78 LEU CA C 13 55.973 0.300 . 1 . . . . 78 LEU CA . 11317 1 917 . 1 1 78 78 LEU CB C 13 41.238 0.300 . 1 . . . . 78 LEU CB . 11317 1 918 . 1 1 78 78 LEU CD1 C 13 22.705 0.300 . 2 . . . . 78 LEU CD1 . 11317 1 919 . 1 1 78 78 LEU CD2 C 13 25.189 0.300 . 2 . . . . 78 LEU CD2 . 11317 1 920 . 1 1 78 78 LEU CG C 13 27.052 0.300 . 1 . . . . 78 LEU CG . 11317 1 921 . 1 1 78 78 LEU N N 15 121.334 0.300 . 1 . . . . 78 LEU N . 11317 1 922 . 1 1 79 79 THR H H 1 8.009 0.030 . 1 . . . . 79 THR H . 11317 1 923 . 1 1 79 79 THR HA H 1 4.132 0.030 . 1 . . . . 79 THR HA . 11317 1 924 . 1 1 79 79 THR HB H 1 4.226 0.030 . 1 . . . . 79 THR HB . 11317 1 925 . 1 1 79 79 THR HG21 H 1 1.233 0.030 . 1 . . . . 79 THR HG2 . 11317 1 926 . 1 1 79 79 THR HG22 H 1 1.233 0.030 . 1 . . . . 79 THR HG2 . 11317 1 927 . 1 1 79 79 THR HG23 H 1 1.233 0.030 . 1 . . . . 79 THR HG2 . 11317 1 928 . 1 1 79 79 THR C C 13 175.432 0.300 . 1 . . . . 79 THR C . 11317 1 929 . 1 1 79 79 THR CA C 13 64.129 0.300 . 1 . . . . 79 THR CA . 11317 1 930 . 1 1 79 79 THR CB C 13 69.125 0.300 . 1 . . . . 79 THR CB . 11317 1 931 . 1 1 79 79 THR CG2 C 13 21.877 0.300 . 1 . . . . 79 THR CG2 . 11317 1 932 . 1 1 79 79 THR N N 15 113.216 0.300 . 1 . . . . 79 THR N . 11317 1 933 . 1 1 80 80 VAL H H 1 7.150 0.030 . 1 . . . . 80 VAL H . 11317 1 934 . 1 1 80 80 VAL HA H 1 4.106 0.030 . 1 . . . . 80 VAL HA . 11317 1 935 . 1 1 80 80 VAL HB H 1 2.213 0.030 . 1 . . . . 80 VAL HB . 11317 1 936 . 1 1 80 80 VAL HG11 H 1 0.835 0.030 . 1 . . . . 80 VAL HG1 . 11317 1 937 . 1 1 80 80 VAL HG12 H 1 0.835 0.030 . 1 . . . . 80 VAL HG1 . 11317 1 938 . 1 1 80 80 VAL HG13 H 1 0.835 0.030 . 1 . . . . 80 VAL HG1 . 11317 1 939 . 1 1 80 80 VAL HG21 H 1 0.704 0.030 . 1 . . . . 80 VAL HG2 . 11317 1 940 . 1 1 80 80 VAL HG22 H 1 0.704 0.030 . 1 . . . . 80 VAL HG2 . 11317 1 941 . 1 1 80 80 VAL HG23 H 1 0.704 0.030 . 1 . . . . 80 VAL HG2 . 11317 1 942 . 1 1 80 80 VAL C C 13 175.553 0.300 . 1 . . . . 80 VAL C . 11317 1 943 . 1 1 80 80 VAL CA C 13 62.514 0.300 . 1 . . . . 80 VAL CA . 11317 1 944 . 1 1 80 80 VAL CB C 13 31.812 0.300 . 1 . . . . 80 VAL CB . 11317 1 945 . 1 1 80 80 VAL CG1 C 13 21.424 0.300 . 2 . . . . 80 VAL CG1 . 11317 1 946 . 1 1 80 80 VAL CG2 C 13 20.263 0.300 . 2 . . . . 80 VAL CG2 . 11317 1 947 . 1 1 80 80 VAL N N 15 116.638 0.300 . 1 . . . . 80 VAL N . 11317 1 948 . 1 1 81 81 LEU H H 1 7.578 0.030 . 1 . . . . 81 LEU H . 11317 1 949 . 1 1 81 81 LEU HA H 1 4.358 0.030 . 1 . . . . 81 LEU HA . 11317 1 950 . 1 1 81 81 LEU HB2 H 1 1.622 0.030 . 1 . . . . 81 LEU HB2 . 11317 1 951 . 1 1 81 81 LEU HB3 H 1 1.622 0.030 . 1 . . . . 81 LEU HB3 . 11317 1 952 . 1 1 81 81 LEU HD11 H 1 0.851 0.030 . 1 . . . . 81 LEU HD1 . 11317 1 953 . 1 1 81 81 LEU HD12 H 1 0.851 0.030 . 1 . . . . 81 LEU HD1 . 11317 1 954 . 1 1 81 81 LEU HD13 H 1 0.851 0.030 . 1 . . . . 81 LEU HD1 . 11317 1 955 . 1 1 81 81 LEU HD21 H 1 0.770 0.030 . 1 . . . . 81 LEU HD2 . 11317 1 956 . 1 1 81 81 LEU HD22 H 1 0.770 0.030 . 1 . . . . 81 LEU HD2 . 11317 1 957 . 1 1 81 81 LEU HD23 H 1 0.770 0.030 . 1 . . . . 81 LEU HD2 . 11317 1 958 . 1 1 81 81 LEU HG H 1 1.530 0.030 . 1 . . . . 81 LEU HG . 11317 1 959 . 1 1 81 81 LEU C C 13 177.007 0.300 . 1 . . . . 81 LEU C . 11317 1 960 . 1 1 81 81 LEU CA C 13 54.937 0.300 . 1 . . . . 81 LEU CA . 11317 1 961 . 1 1 81 81 LEU CB C 13 42.369 0.300 . 1 . . . . 81 LEU CB . 11317 1 962 . 1 1 81 81 LEU CD1 C 13 25.396 0.300 . 2 . . . . 81 LEU CD1 . 11317 1 963 . 1 1 81 81 LEU CD2 C 13 23.486 0.300 . 2 . . . . 81 LEU CD2 . 11317 1 964 . 1 1 81 81 LEU CG C 13 26.858 0.300 . 1 . . . . 81 LEU CG . 11317 1 965 . 1 1 81 81 LEU N N 15 121.701 0.300 . 1 . . . . 81 LEU N . 11317 1 966 . 1 1 82 82 LYS H H 1 8.162 0.030 . 1 . . . . 82 LYS H . 11317 1 967 . 1 1 82 82 LYS HA H 1 4.376 0.030 . 1 . . . . 82 LYS HA . 11317 1 968 . 1 1 82 82 LYS HB2 H 1 1.801 0.030 . 2 . . . . 82 LYS HB2 . 11317 1 969 . 1 1 82 82 LYS HB3 H 1 1.891 0.030 . 2 . . . . 82 LYS HB3 . 11317 1 970 . 1 1 82 82 LYS HD2 H 1 1.695 0.030 . 1 . . . . 82 LYS HD2 . 11317 1 971 . 1 1 82 82 LYS HD3 H 1 1.695 0.030 . 1 . . . . 82 LYS HD3 . 11317 1 972 . 1 1 82 82 LYS HE2 H 1 2.992 0.030 . 1 . . . . 82 LYS HE2 . 11317 1 973 . 1 1 82 82 LYS HE3 H 1 2.992 0.030 . 1 . . . . 82 LYS HE3 . 11317 1 974 . 1 1 82 82 LYS HG2 H 1 1.429 0.030 . 2 . . . . 82 LYS HG2 . 11317 1 975 . 1 1 82 82 LYS HG3 H 1 1.483 0.030 . 2 . . . . 82 LYS HG3 . 11317 1 976 . 1 1 82 82 LYS C C 13 176.462 0.300 . 1 . . . . 82 LYS C . 11317 1 977 . 1 1 82 82 LYS CA C 13 56.241 0.300 . 1 . . . . 82 LYS CA . 11317 1 978 . 1 1 82 82 LYS CB C 13 32.894 0.300 . 1 . . . . 82 LYS CB . 11317 1 979 . 1 1 82 82 LYS CD C 13 29.091 0.300 . 1 . . . . 82 LYS CD . 11317 1 980 . 1 1 82 82 LYS CE C 13 42.149 0.300 . 1 . . . . 82 LYS CE . 11317 1 981 . 1 1 82 82 LYS CG C 13 24.740 0.300 . 1 . . . . 82 LYS CG . 11317 1 982 . 1 1 82 82 LYS N N 15 121.442 0.300 . 1 . . . . 82 LYS N . 11317 1 983 . 1 1 83 83 SER H H 1 8.242 0.030 . 1 . . . . 83 SER H . 11317 1 984 . 1 1 83 83 SER HA H 1 4.516 0.030 . 1 . . . . 83 SER HA . 11317 1 985 . 1 1 83 83 SER HB2 H 1 3.891 0.030 . 1 . . . . 83 SER HB2 . 11317 1 986 . 1 1 83 83 SER HB3 H 1 3.891 0.030 . 1 . . . . 83 SER HB3 . 11317 1 987 . 1 1 83 83 SER C C 13 174.584 0.300 . 1 . . . . 83 SER C . 11317 1 988 . 1 1 83 83 SER CA C 13 58.339 0.300 . 1 . . . . 83 SER CA . 11317 1 989 . 1 1 83 83 SER CB C 13 64.175 0.300 . 1 . . . . 83 SER CB . 11317 1 990 . 1 1 83 83 SER N N 15 116.756 0.300 . 1 . . . . 83 SER N . 11317 1 991 . 1 1 84 84 GLY H H 1 8.277 0.030 . 1 . . . . 84 GLY H . 11317 1 992 . 1 1 84 84 GLY HA2 H 1 4.106 0.030 . 2 . . . . 84 GLY HA2 . 11317 1 993 . 1 1 84 84 GLY HA3 H 1 4.194 0.030 . 2 . . . . 84 GLY HA3 . 11317 1 994 . 1 1 84 84 GLY C C 13 171.822 0.300 . 1 . . . . 84 GLY C . 11317 1 995 . 1 1 84 84 GLY CA C 13 44.645 0.300 . 1 . . . . 84 GLY CA . 11317 1 996 . 1 1 84 84 GLY N N 15 110.548 0.300 . 1 . . . . 84 GLY N . 11317 1 997 . 1 1 85 85 PRO HA H 1 4.501 0.030 . 1 . . . . 85 PRO HA . 11317 1 998 . 1 1 85 85 PRO HB2 H 1 1.996 0.030 . 2 . . . . 85 PRO HB2 . 11317 1 999 . 1 1 85 85 PRO HB3 H 1 2.311 0.030 . 2 . . . . 85 PRO HB3 . 11317 1 1000 . 1 1 85 85 PRO HD2 H 1 3.650 0.030 . 1 . . . . 85 PRO HD2 . 11317 1 1001 . 1 1 85 85 PRO HD3 H 1 3.650 0.030 . 1 . . . . 85 PRO HD3 . 11317 1 1002 . 1 1 85 85 PRO HG2 H 1 2.036 0.030 . 1 . . . . 85 PRO HG2 . 11317 1 1003 . 1 1 85 85 PRO HG3 H 1 2.036 0.030 . 1 . . . . 85 PRO HG3 . 11317 1 1004 . 1 1 85 85 PRO CA C 13 63.303 0.300 . 1 . . . . 85 PRO CA . 11317 1 1005 . 1 1 85 85 PRO CB C 13 32.224 0.300 . 1 . . . . 85 PRO CB . 11317 1 1006 . 1 1 85 85 PRO CD C 13 49.857 0.300 . 1 . . . . 85 PRO CD . 11317 1 1007 . 1 1 85 85 PRO CG C 13 27.251 0.300 . 1 . . . . 85 PRO CG . 11317 1 stop_ save_