data_11487 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11487 _Entry.Title ; Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-07 _Entry.Accession_date 2012-03-08 _Entry.Last_release_date 2013-03-12 _Entry.Original_release_date 2013-03-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _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 Naoya Tochio . . . 11487 2 Takashi Umehara . . . 11487 3 Takanori Kigawa . . . 11487 4 Shigeyuki Yokoyama . . . 11487 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 1 'not applicable' 'not applicable' . 11487 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ZFAT . 11487 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11487 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 11487 '15N chemical shifts' 83 11487 '1H chemical shifts' 599 11487 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 . . 2013-03-12 2012-03-07 original author . 11487 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RSI 'BMRB Entry Tracking System' 11487 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11487 _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 structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Naoya Tochio . . . 11487 1 2 Takashi Umehara . . . 11487 1 3 Takanori Kigawa . . . 11487 1 4 Shigeyuki Yokoyama . . . 11487 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11487 _Assembly.ID 1 _Assembly.Name protein _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 11487 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 11487 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 11487 1 4 'ZINC ION_3' 2 $entity_ZN D . no native no no . . . 11487 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 entity_1 1 CYS 12 12 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 12 CYS SG . . 181 . ZN 11487 1 2 coordination single . 1 entity_1 1 CYS 15 15 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 15 CYS SG . . 181 . ZN 11487 1 3 coordination single . 1 entity_1 1 HIS 28 28 NE2 . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 28 HIS NE2 . . 181 . ZN 11487 1 4 coordination single . 1 entity_1 1 HIS 32 32 NE2 . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 32 HIS NE2 . . 181 . ZN 11487 1 5 coordination single . 1 entity_1 1 CYS 39 39 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 39 CYS SG . . 281 . ZN 11487 1 6 coordination single . 1 entity_1 1 CYS 42 42 SG . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 42 CYS SG . . 281 . ZN 11487 1 7 coordination single . 1 entity_1 1 HIS 55 55 NE2 . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 55 HIS NE2 . . 281 . ZN 11487 1 8 coordination single . 1 entity_1 1 HIS 60 60 NE2 . 3 'ZINC ION_2' 2 ZN 1 1 ZN . . 60 HIS NE2 . . 281 . ZN 11487 1 9 coordination single . 1 entity_1 1 CYS 67 67 SG . 4 'ZINC ION_3' 2 ZN 1 1 ZN . . 67 CYS SG . . 381 . ZN 11487 1 10 coordination single . 1 entity_1 1 CYS 70 70 SG . 4 'ZINC ION_3' 2 ZN 1 1 ZN . . 70 CYS SG . . 381 . ZN 11487 1 11 coordination single . 1 entity_1 1 HIS 83 83 NE2 . 4 'ZINC ION_3' 2 ZN 1 1 ZN . . 83 HIS NE2 . . 381 . ZN 11487 1 12 coordination single . 1 entity_1 1 HIS 88 88 NE2 . 4 'ZINC ION_3' 2 ZN 1 1 ZN . . 88 HIS NE2 . . 381 . ZN 11487 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11487 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSSGSSGKPYKCPQCSYASA IKANLNVHLRKHTGEKFACD YCSFTCLSKGHLKVHIERVH KKIKQHCRFCKKKYSDVKNL IKHIRDAHDPQD ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10512.312 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RSI . "Solution Structures Of The Dna-binding Domains Of Immune-related Zinc- Finger Protein Zfat" . . . . . 100.00 92 100.00 100.00 6.79e-59 . . . . 11487 1 2 no PDB 2RV7 . "Solution Structures Of The Dna-binding Domains (zf3-zf4-zf5) Of Immune-related Zinc-finger Protein Zfat" . . . . . 100.00 92 100.00 100.00 6.79e-59 . . . . 11487 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 . 11487 1 2 . SER . 11487 1 3 . SER . 11487 1 4 . GLY . 11487 1 5 . SER . 11487 1 6 . SER . 11487 1 7 . GLY . 11487 1 8 . LYS . 11487 1 9 . PRO . 11487 1 10 . TYR . 11487 1 11 . LYS . 11487 1 12 . CYS . 11487 1 13 . PRO . 11487 1 14 . GLN . 11487 1 15 . CYS . 11487 1 16 . SER . 11487 1 17 . TYR . 11487 1 18 . ALA . 11487 1 19 . SER . 11487 1 20 . ALA . 11487 1 21 . ILE . 11487 1 22 . LYS . 11487 1 23 . ALA . 11487 1 24 . ASN . 11487 1 25 . LEU . 11487 1 26 . ASN . 11487 1 27 . VAL . 11487 1 28 . HIS . 11487 1 29 . LEU . 11487 1 30 . ARG . 11487 1 31 . LYS . 11487 1 32 . HIS . 11487 1 33 . THR . 11487 1 34 . GLY . 11487 1 35 . GLU . 11487 1 36 . LYS . 11487 1 37 . PHE . 11487 1 38 . ALA . 11487 1 39 . CYS . 11487 1 40 . ASP . 11487 1 41 . TYR . 11487 1 42 . CYS . 11487 1 43 . SER . 11487 1 44 . PHE . 11487 1 45 . THR . 11487 1 46 . CYS . 11487 1 47 . LEU . 11487 1 48 . SER . 11487 1 49 . LYS . 11487 1 50 . GLY . 11487 1 51 . HIS . 11487 1 52 . LEU . 11487 1 53 . LYS . 11487 1 54 . VAL . 11487 1 55 . HIS . 11487 1 56 . ILE . 11487 1 57 . GLU . 11487 1 58 . ARG . 11487 1 59 . VAL . 11487 1 60 . HIS . 11487 1 61 . LYS . 11487 1 62 . LYS . 11487 1 63 . ILE . 11487 1 64 . LYS . 11487 1 65 . GLN . 11487 1 66 . HIS . 11487 1 67 . CYS . 11487 1 68 . ARG . 11487 1 69 . PHE . 11487 1 70 . CYS . 11487 1 71 . LYS . 11487 1 72 . LYS . 11487 1 73 . LYS . 11487 1 74 . TYR . 11487 1 75 . SER . 11487 1 76 . ASP . 11487 1 77 . VAL . 11487 1 78 . LYS . 11487 1 79 . ASN . 11487 1 80 . LEU . 11487 1 81 . ILE . 11487 1 82 . LYS . 11487 1 83 . HIS . 11487 1 84 . ILE . 11487 1 85 . ARG . 11487 1 86 . ASP . 11487 1 87 . ALA . 11487 1 88 . HIS . 11487 1 89 . ASP . 11487 1 90 . PRO . 11487 1 91 . GLN . 11487 1 92 . ASP . 11487 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 11487 1 . SER 2 2 11487 1 . SER 3 3 11487 1 . GLY 4 4 11487 1 . SER 5 5 11487 1 . SER 6 6 11487 1 . GLY 7 7 11487 1 . LYS 8 8 11487 1 . PRO 9 9 11487 1 . TYR 10 10 11487 1 . LYS 11 11 11487 1 . CYS 12 12 11487 1 . PRO 13 13 11487 1 . GLN 14 14 11487 1 . CYS 15 15 11487 1 . SER 16 16 11487 1 . TYR 17 17 11487 1 . ALA 18 18 11487 1 . SER 19 19 11487 1 . ALA 20 20 11487 1 . ILE 21 21 11487 1 . LYS 22 22 11487 1 . ALA 23 23 11487 1 . ASN 24 24 11487 1 . LEU 25 25 11487 1 . ASN 26 26 11487 1 . VAL 27 27 11487 1 . HIS 28 28 11487 1 . LEU 29 29 11487 1 . ARG 30 30 11487 1 . LYS 31 31 11487 1 . HIS 32 32 11487 1 . THR 33 33 11487 1 . GLY 34 34 11487 1 . GLU 35 35 11487 1 . LYS 36 36 11487 1 . PHE 37 37 11487 1 . ALA 38 38 11487 1 . CYS 39 39 11487 1 . ASP 40 40 11487 1 . TYR 41 41 11487 1 . CYS 42 42 11487 1 . SER 43 43 11487 1 . PHE 44 44 11487 1 . THR 45 45 11487 1 . CYS 46 46 11487 1 . LEU 47 47 11487 1 . SER 48 48 11487 1 . LYS 49 49 11487 1 . GLY 50 50 11487 1 . HIS 51 51 11487 1 . LEU 52 52 11487 1 . LYS 53 53 11487 1 . VAL 54 54 11487 1 . HIS 55 55 11487 1 . ILE 56 56 11487 1 . GLU 57 57 11487 1 . ARG 58 58 11487 1 . VAL 59 59 11487 1 . HIS 60 60 11487 1 . LYS 61 61 11487 1 . LYS 62 62 11487 1 . ILE 63 63 11487 1 . LYS 64 64 11487 1 . GLN 65 65 11487 1 . HIS 66 66 11487 1 . CYS 67 67 11487 1 . ARG 68 68 11487 1 . PHE 69 69 11487 1 . CYS 70 70 11487 1 . LYS 71 71 11487 1 . LYS 72 72 11487 1 . LYS 73 73 11487 1 . TYR 74 74 11487 1 . SER 75 75 11487 1 . ASP 76 76 11487 1 . VAL 77 77 11487 1 . LYS 78 78 11487 1 . ASN 79 79 11487 1 . LEU 80 80 11487 1 . ILE 81 81 11487 1 . LYS 82 82 11487 1 . HIS 83 83 11487 1 . ILE 84 84 11487 1 . ARG 85 85 11487 1 . ASP 86 86 11487 1 . ALA 87 87 11487 1 . HIS 88 88 11487 1 . ASP 89 89 11487 1 . PRO 90 90 11487 1 . GLN 91 91 11487 1 . ASP 92 92 11487 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 11487 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 11487 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 11487 2 ZN 'Three letter code' 11487 2 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 1 ZN $chem_comp_ZN 11487 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 11487 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 11487 _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 . . . . . . . . . . . . . . . . . . . . . 11487 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 11487 _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 . 'recombinant technology' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P061010-08 . . . . . . 11487 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 11487 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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=1S/Zn/q+2 InChI InChI 1.03 11487 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 11487 ZN [Zn++] SMILES CACTVS 3.341 11487 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11487 ZN [Zn+2] SMILES ACDLabs 10.04 11487 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11487 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11487 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 11487 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11487 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11487 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11487 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 protein '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.86 . . mM . . . . 11487 1 2 TRIS [U-2H] . . . . . . 20 . . mM . . . . 11487 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11487 1 4 DTT [U-2H] . . . . . . 1 . . mM . . . . 11487 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11487 1 6 'zinc chloride' 'natural abundance' . . . . . . 50 . . uM . . . . 11487 1 7 H2O . . . . . . solvent 90 . . % . . . . 11487 1 8 D2O . . . . . . solvent 10 . . % . . . . 11487 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11487 _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 . mM 11487 1 pH 7.0 . pH 11487 1 pressure 1 . atm 11487 1 temperature 296 . K 11487 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11487 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11487 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11487 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11487 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11487 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11487 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11487 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11487 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11487 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11487 _Software.ID 4 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayashi' . . 11487 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11487 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11487 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11487 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11487 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 11487 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11487 _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 . 900 . . . 11487 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 11487 _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 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11487 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11487 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11487 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water 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 water protons . . . . ppm 4.792 internal indirect 0.251449530 . . . . . . . . . 11487 1 H 1 water protons . . . . ppm 4.792 internal direct 1 . . . . . . . . . 11487 1 N 15 water protons . . . . ppm 4.792 internal indirect 0.101329118 . . . . . . . . . 11487 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11487 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 1H-15N NOESY' . . . 11487 1 2 '3D 1H-13C NOESY' . . . 11487 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 LYS H H 1 8.651 0.030 . 1 . . . A 8 LYS H . 11487 1 2 . 1 1 8 8 LYS HA H 1 4.421 0.030 . 1 . . . A 8 LYS HA . 11487 1 3 . 1 1 8 8 LYS HB2 H 1 1.512 0.030 . 2 . . . A 8 LYS HB2 . 11487 1 4 . 1 1 8 8 LYS HB3 H 1 1.281 0.030 . 2 . . . A 8 LYS HB3 . 11487 1 5 . 1 1 8 8 LYS HG2 H 1 1.184 0.030 . 2 . . . A 8 LYS HG2 . 11487 1 6 . 1 1 8 8 LYS HG3 H 1 1.309 0.030 . 2 . . . A 8 LYS HG3 . 11487 1 7 . 1 1 8 8 LYS HD2 H 1 1.470 0.030 . 2 . . . A 8 LYS HD2 . 11487 1 8 . 1 1 8 8 LYS HD3 H 1 1.521 0.030 . 2 . . . A 8 LYS HD3 . 11487 1 9 . 1 1 8 8 LYS HE2 H 1 2.932 0.030 . 2 . . . A 8 LYS HE2 . 11487 1 10 . 1 1 8 8 LYS CA C 13 53.582 0.300 . 1 . . . A 8 LYS CA . 11487 1 11 . 1 1 8 8 LYS CB C 13 33.153 0.300 . 1 . . . A 8 LYS CB . 11487 1 12 . 1 1 8 8 LYS CG C 13 24.800 0.300 . 1 . . . A 8 LYS CG . 11487 1 13 . 1 1 8 8 LYS CD C 13 29.538 0.300 . 1 . . . A 8 LYS CD . 11487 1 14 . 1 1 8 8 LYS N N 15 111.538 0.300 . 1 . . . A 8 LYS N . 11487 1 15 . 1 1 9 9 PRO HA H 1 4.125 0.030 . 1 . . . A 9 PRO HA . 11487 1 16 . 1 1 9 9 PRO HB2 H 1 1.983 0.030 . 2 . . . A 9 PRO HB2 . 11487 1 17 . 1 1 9 9 PRO HB3 H 1 1.190 0.030 . 2 . . . A 9 PRO HB3 . 11487 1 18 . 1 1 9 9 PRO HG2 H 1 1.447 0.030 . 2 . . . A 9 PRO HG2 . 11487 1 19 . 1 1 9 9 PRO HG3 H 1 1.787 0.030 . 2 . . . A 9 PRO HG3 . 11487 1 20 . 1 1 9 9 PRO HD2 H 1 3.553 0.030 . 2 . . . A 9 PRO HD2 . 11487 1 21 . 1 1 9 9 PRO HD3 H 1 3.474 0.030 . 2 . . . A 9 PRO HD3 . 11487 1 22 . 1 1 9 9 PRO C C 13 176.410 0.300 . 1 . . . A 9 PRO C . 11487 1 23 . 1 1 9 9 PRO CA C 13 63.529 0.300 . 1 . . . A 9 PRO CA . 11487 1 24 . 1 1 9 9 PRO CB C 13 32.238 0.300 . 1 . . . A 9 PRO CB . 11487 1 25 . 1 1 9 9 PRO CG C 13 26.674 0.300 . 1 . . . A 9 PRO CG . 11487 1 26 . 1 1 9 9 PRO CD C 13 50.458 0.300 . 1 . . . A 9 PRO CD . 11487 1 27 . 1 1 10 10 TYR H H 1 7.801 0.030 . 1 . . . A 10 TYR H . 11487 1 28 . 1 1 10 10 TYR HA H 1 4.614 0.030 . 1 . . . A 10 TYR HA . 11487 1 29 . 1 1 10 10 TYR HB2 H 1 2.943 0.030 . 1 . . . A 10 TYR HB2 . 11487 1 30 . 1 1 10 10 TYR HB3 H 1 2.943 0.030 . 1 . . . A 10 TYR HB3 . 11487 1 31 . 1 1 10 10 TYR HD1 H 1 7.045 0.030 . 1 . . . A 10 TYR HD1 . 11487 1 32 . 1 1 10 10 TYR HD2 H 1 7.045 0.030 . 1 . . . A 10 TYR HD2 . 11487 1 33 . 1 1 10 10 TYR HE1 H 1 6.874 0.030 . 1 . . . A 10 TYR HE1 . 11487 1 34 . 1 1 10 10 TYR HE2 H 1 6.874 0.030 . 1 . . . A 10 TYR HE2 . 11487 1 35 . 1 1 10 10 TYR C C 13 173.965 0.300 . 1 . . . A 10 TYR C . 11487 1 36 . 1 1 10 10 TYR CA C 13 57.623 0.300 . 1 . . . A 10 TYR CA . 11487 1 37 . 1 1 10 10 TYR CB C 13 36.863 0.300 . 1 . . . A 10 TYR CB . 11487 1 38 . 1 1 10 10 TYR CD1 C 13 133.134 0.300 . 1 . . . A 10 TYR CD1 . 11487 1 39 . 1 1 10 10 TYR CD2 C 13 133.134 0.300 . 1 . . . A 10 TYR CD2 . 11487 1 40 . 1 1 10 10 TYR CE1 C 13 118.424 0.300 . 1 . . . A 10 TYR CE1 . 11487 1 41 . 1 1 10 10 TYR CE2 C 13 118.424 0.300 . 1 . . . A 10 TYR CE2 . 11487 1 42 . 1 1 10 10 TYR N N 15 119.396 0.300 . 1 . . . A 10 TYR N . 11487 1 43 . 1 1 11 11 LYS H H 1 8.210 0.030 . 1 . . . A 11 LYS H . 11487 1 44 . 1 1 11 11 LYS HA H 1 4.688 0.030 . 1 . . . A 11 LYS HA . 11487 1 45 . 1 1 11 11 LYS HB2 H 1 1.649 0.030 . 2 . . . A 11 LYS HB2 . 11487 1 46 . 1 1 11 11 LYS HB3 H 1 1.928 0.030 . 2 . . . A 11 LYS HB3 . 11487 1 47 . 1 1 11 11 LYS HG2 H 1 1.367 0.030 . 2 . . . A 11 LYS HG2 . 11487 1 48 . 1 1 11 11 LYS HG3 H 1 1.423 0.030 . 2 . . . A 11 LYS HG3 . 11487 1 49 . 1 1 11 11 LYS HD2 H 1 1.584 0.030 . 2 . . . A 11 LYS HD2 . 11487 1 50 . 1 1 11 11 LYS HD3 H 1 1.721 0.030 . 2 . . . A 11 LYS HD3 . 11487 1 51 . 1 1 11 11 LYS HE2 H 1 2.957 0.030 . 2 . . . A 11 LYS HE2 . 11487 1 52 . 1 1 11 11 LYS C C 13 175.736 0.300 . 1 . . . A 11 LYS C . 11487 1 53 . 1 1 11 11 LYS CA C 13 54.876 0.300 . 1 . . . A 11 LYS CA . 11487 1 54 . 1 1 11 11 LYS CB C 13 34.563 0.300 . 1 . . . A 11 LYS CB . 11487 1 55 . 1 1 11 11 LYS CG C 13 24.686 0.300 . 1 . . . A 11 LYS CG . 11487 1 56 . 1 1 11 11 LYS CD C 13 28.933 0.300 . 1 . . . A 11 LYS CD . 11487 1 57 . 1 1 11 11 LYS CE C 13 42.343 0.300 . 1 . . . A 11 LYS CE . 11487 1 58 . 1 1 11 11 LYS N N 15 124.463 0.300 . 1 . . . A 11 LYS N . 11487 1 59 . 1 1 12 12 CYS H H 1 8.918 0.030 . 1 . . . A 12 CYS H . 11487 1 60 . 1 1 12 12 CYS HA H 1 4.671 0.030 . 1 . . . A 12 CYS HA . 11487 1 61 . 1 1 12 12 CYS HB2 H 1 3.498 0.030 . 2 . . . A 12 CYS HB2 . 11487 1 62 . 1 1 12 12 CYS HB3 H 1 2.777 0.030 . 2 . . . A 12 CYS HB3 . 11487 1 63 . 1 1 12 12 CYS C C 13 174.839 0.300 . 1 . . . A 12 CYS C . 11487 1 64 . 1 1 12 12 CYS CA C 13 57.663 0.300 . 1 . . . A 12 CYS CA . 11487 1 65 . 1 1 12 12 CYS CB C 13 30.733 0.300 . 1 . . . A 12 CYS CB . 11487 1 66 . 1 1 12 12 CYS N N 15 129.222 0.300 . 1 . . . A 12 CYS N . 11487 1 67 . 1 1 13 13 PRO HA H 1 4.657 0.030 . 1 . . . A 13 PRO HA . 11487 1 68 . 1 1 13 13 PRO HB2 H 1 2.422 0.030 . 2 . . . A 13 PRO HB2 . 11487 1 69 . 1 1 13 13 PRO HB3 H 1 2.049 0.030 . 2 . . . A 13 PRO HB3 . 11487 1 70 . 1 1 13 13 PRO HG2 H 1 2.059 0.030 . 2 . . . A 13 PRO HG2 . 11487 1 71 . 1 1 13 13 PRO HG3 H 1 2.183 0.030 . 2 . . . A 13 PRO HG3 . 11487 1 72 . 1 1 13 13 PRO HD2 H 1 4.428 0.030 . 2 . . . A 13 PRO HD2 . 11487 1 73 . 1 1 13 13 PRO HD3 H 1 4.077 0.030 . 2 . . . A 13 PRO HD3 . 11487 1 74 . 1 1 13 13 PRO C C 13 177.639 0.300 . 1 . . . A 13 PRO C . 11487 1 75 . 1 1 13 13 PRO CA C 13 63.934 0.300 . 1 . . . A 13 PRO CA . 11487 1 76 . 1 1 13 13 PRO CB C 13 32.561 0.300 . 1 . . . A 13 PRO CB . 11487 1 77 . 1 1 13 13 PRO CG C 13 27.262 0.300 . 1 . . . A 13 PRO CG . 11487 1 78 . 1 1 13 13 PRO CD C 13 51.491 0.300 . 1 . . . A 13 PRO CD . 11487 1 79 . 1 1 14 14 GLN H H 1 9.645 0.030 . 1 . . . A 14 GLN H . 11487 1 80 . 1 1 14 14 GLN HA H 1 4.441 0.030 . 1 . . . A 14 GLN HA . 11487 1 81 . 1 1 14 14 GLN HB2 H 1 0.916 0.030 . 2 . . . A 14 GLN HB2 . 11487 1 82 . 1 1 14 14 GLN HB3 H 1 1.649 0.030 . 2 . . . A 14 GLN HB3 . 11487 1 83 . 1 1 14 14 GLN HG2 H 1 1.892 0.030 . 2 . . . A 14 GLN HG2 . 11487 1 84 . 1 1 14 14 GLN HG3 H 1 2.018 0.030 . 2 . . . A 14 GLN HG3 . 11487 1 85 . 1 1 14 14 GLN HE21 H 1 6.801 0.030 . 2 . . . A 14 GLN HE21 . 11487 1 86 . 1 1 14 14 GLN HE22 H 1 7.296 0.030 . 2 . . . A 14 GLN HE22 . 11487 1 87 . 1 1 14 14 GLN C C 13 174.843 0.300 . 1 . . . A 14 GLN C . 11487 1 88 . 1 1 14 14 GLN CA C 13 56.136 0.300 . 1 . . . A 14 GLN CA . 11487 1 89 . 1 1 14 14 GLN CB C 13 30.786 0.300 . 1 . . . A 14 GLN CB . 11487 1 90 . 1 1 14 14 GLN CG C 13 34.653 0.300 . 1 . . . A 14 GLN CG . 11487 1 91 . 1 1 14 14 GLN N N 15 119.859 0.300 . 1 . . . A 14 GLN N . 11487 1 92 . 1 1 14 14 GLN NE2 N 15 110.813 0.300 . 1 . . . A 14 GLN NE2 . 11487 1 93 . 1 1 15 15 CYS H H 1 7.967 0.030 . 1 . . . A 15 CYS H . 11487 1 94 . 1 1 15 15 CYS HA H 1 5.014 0.030 . 1 . . . A 15 CYS HA . 11487 1 95 . 1 1 15 15 CYS HB2 H 1 3.214 0.030 . 2 . . . A 15 CYS HB2 . 11487 1 96 . 1 1 15 15 CYS HB3 H 1 3.446 0.030 . 2 . . . A 15 CYS HB3 . 11487 1 97 . 1 1 15 15 CYS C C 13 173.173 0.300 . 1 . . . A 15 CYS C . 11487 1 98 . 1 1 15 15 CYS CA C 13 58.756 0.300 . 1 . . . A 15 CYS CA . 11487 1 99 . 1 1 15 15 CYS CB C 13 29.891 0.300 . 1 . . . A 15 CYS CB . 11487 1 100 . 1 1 15 15 CYS N N 15 120.946 0.300 . 1 . . . A 15 CYS N . 11487 1 101 . 1 1 16 16 SER H H 1 8.030 0.030 . 1 . . . A 16 SER H . 11487 1 102 . 1 1 16 16 SER HA H 1 4.406 0.030 . 1 . . . A 16 SER HA . 11487 1 103 . 1 1 16 16 SER HB2 H 1 3.938 0.030 . 2 . . . A 16 SER HB2 . 11487 1 104 . 1 1 16 16 SER HB3 H 1 4.100 0.030 . 2 . . . A 16 SER HB3 . 11487 1 105 . 1 1 16 16 SER C C 13 174.245 0.300 . 1 . . . A 16 SER C . 11487 1 106 . 1 1 16 16 SER CA C 13 59.595 0.300 . 1 . . . A 16 SER CA . 11487 1 107 . 1 1 16 16 SER CB C 13 63.836 0.300 . 1 . . . A 16 SER CB . 11487 1 108 . 1 1 16 16 SER N N 15 110.938 0.300 . 1 . . . A 16 SER N . 11487 1 109 . 1 1 17 17 TYR H H 1 9.023 0.030 . 1 . . . A 17 TYR H . 11487 1 110 . 1 1 17 17 TYR HA H 1 3.957 0.030 . 1 . . . A 17 TYR HA . 11487 1 111 . 1 1 17 17 TYR HB2 H 1 2.031 0.030 . 2 . . . A 17 TYR HB2 . 11487 1 112 . 1 1 17 17 TYR HB3 H 1 2.638 0.030 . 2 . . . A 17 TYR HB3 . 11487 1 113 . 1 1 17 17 TYR HD1 H 1 6.541 0.030 . 1 . . . A 17 TYR HD1 . 11487 1 114 . 1 1 17 17 TYR HD2 H 1 6.541 0.030 . 1 . . . A 17 TYR HD2 . 11487 1 115 . 1 1 17 17 TYR HE1 H 1 6.451 0.030 . 1 . . . A 17 TYR HE1 . 11487 1 116 . 1 1 17 17 TYR HE2 H 1 6.451 0.030 . 1 . . . A 17 TYR HE2 . 11487 1 117 . 1 1 17 17 TYR C C 13 173.194 0.300 . 1 . . . A 17 TYR C . 11487 1 118 . 1 1 17 17 TYR CA C 13 60.884 0.300 . 1 . . . A 17 TYR CA . 11487 1 119 . 1 1 17 17 TYR CB C 13 39.590 0.300 . 1 . . . A 17 TYR CB . 11487 1 120 . 1 1 17 17 TYR CD1 C 13 132.530 0.300 . 1 . . . A 17 TYR CD1 . 11487 1 121 . 1 1 17 17 TYR CD2 C 13 132.530 0.300 . 1 . . . A 17 TYR CD2 . 11487 1 122 . 1 1 17 17 TYR CE1 C 13 117.069 0.300 . 1 . . . A 17 TYR CE1 . 11487 1 123 . 1 1 17 17 TYR CE2 C 13 117.069 0.300 . 1 . . . A 17 TYR CE2 . 11487 1 124 . 1 1 17 17 TYR N N 15 128.105 0.300 . 1 . . . A 17 TYR N . 11487 1 125 . 1 1 18 18 ALA H H 1 6.905 0.030 . 1 . . . A 18 ALA H . 11487 1 126 . 1 1 18 18 ALA HA H 1 4.895 0.030 . 1 . . . A 18 ALA HA . 11487 1 127 . 1 1 18 18 ALA HB1 H 1 1.142 0.030 . 1 . . . A 18 ALA HB1 . 11487 1 128 . 1 1 18 18 ALA HB2 H 1 1.142 0.030 . 1 . . . A 18 ALA HB2 . 11487 1 129 . 1 1 18 18 ALA HB3 H 1 1.142 0.030 . 1 . . . A 18 ALA HB3 . 11487 1 130 . 1 1 18 18 ALA C C 13 175.038 0.300 . 1 . . . A 18 ALA C . 11487 1 131 . 1 1 18 18 ALA CA C 13 50.576 0.300 . 1 . . . A 18 ALA CA . 11487 1 132 . 1 1 18 18 ALA CB C 13 23.045 0.300 . 1 . . . A 18 ALA CB . 11487 1 133 . 1 1 18 18 ALA N N 15 127.935 0.300 . 1 . . . A 18 ALA N . 11487 1 134 . 1 1 19 19 SER H H 1 8.635 0.030 . 1 . . . A 19 SER H . 11487 1 135 . 1 1 19 19 SER HA H 1 4.507 0.030 . 1 . . . A 19 SER HA . 11487 1 136 . 1 1 19 19 SER HB2 H 1 3.417 0.030 . 2 . . . A 19 SER HB2 . 11487 1 137 . 1 1 19 19 SER HB3 H 1 3.993 0.030 . 2 . . . A 19 SER HB3 . 11487 1 138 . 1 1 19 19 SER C C 13 173.444 0.300 . 1 . . . A 19 SER C . 11487 1 139 . 1 1 19 19 SER CA C 13 56.476 0.300 . 1 . . . A 19 SER CA . 11487 1 140 . 1 1 19 19 SER CB C 13 65.328 0.300 . 1 . . . A 19 SER CB . 11487 1 141 . 1 1 19 19 SER N N 15 111.525 0.300 . 1 . . . A 19 SER N . 11487 1 142 . 1 1 20 20 ALA H H 1 8.909 0.030 . 1 . . . A 20 ALA H . 11487 1 143 . 1 1 20 20 ALA HA H 1 4.601 0.030 . 1 . . . A 20 ALA HA . 11487 1 144 . 1 1 20 20 ALA HB1 H 1 1.585 0.030 . 1 . . . A 20 ALA HB1 . 11487 1 145 . 1 1 20 20 ALA HB2 H 1 1.585 0.030 . 1 . . . A 20 ALA HB2 . 11487 1 146 . 1 1 20 20 ALA HB3 H 1 1.585 0.030 . 1 . . . A 20 ALA HB3 . 11487 1 147 . 1 1 20 20 ALA C C 13 176.856 0.300 . 1 . . . A 20 ALA C . 11487 1 148 . 1 1 20 20 ALA CA C 13 53.299 0.300 . 1 . . . A 20 ALA CA . 11487 1 149 . 1 1 20 20 ALA CB C 13 19.641 0.300 . 1 . . . A 20 ALA CB . 11487 1 150 . 1 1 21 21 ILE H H 1 8.526 0.030 . 1 . . . A 21 ILE H . 11487 1 151 . 1 1 21 21 ILE HA H 1 4.463 0.030 . 1 . . . A 21 ILE HA . 11487 1 152 . 1 1 21 21 ILE HB H 1 1.919 0.030 . 1 . . . A 21 ILE HB . 11487 1 153 . 1 1 21 21 ILE HG12 H 1 1.473 0.030 . 2 . . . A 21 ILE HG12 . 11487 1 154 . 1 1 21 21 ILE HG13 H 1 1.205 0.030 . 2 . . . A 21 ILE HG13 . 11487 1 155 . 1 1 21 21 ILE HG21 H 1 0.979 0.030 . 1 . . . A 21 ILE HG21 . 11487 1 156 . 1 1 21 21 ILE HG22 H 1 0.979 0.030 . 1 . . . A 21 ILE HG22 . 11487 1 157 . 1 1 21 21 ILE HG23 H 1 0.979 0.030 . 1 . . . A 21 ILE HG23 . 11487 1 158 . 1 1 21 21 ILE HD11 H 1 0.894 0.030 . 1 . . . A 21 ILE HD11 . 11487 1 159 . 1 1 21 21 ILE HD12 H 1 0.894 0.030 . 1 . . . A 21 ILE HD12 . 11487 1 160 . 1 1 21 21 ILE HD13 H 1 0.894 0.030 . 1 . . . A 21 ILE HD13 . 11487 1 161 . 1 1 21 21 ILE C C 13 176.619 0.300 . 1 . . . A 21 ILE C . 11487 1 162 . 1 1 21 21 ILE CA C 13 59.504 0.300 . 1 . . . A 21 ILE CA . 11487 1 163 . 1 1 21 21 ILE CB C 13 39.690 0.300 . 1 . . . A 21 ILE CB . 11487 1 164 . 1 1 21 21 ILE CG1 C 13 27.024 0.300 . 1 . . . A 21 ILE CG1 . 11487 1 165 . 1 1 21 21 ILE CG2 C 13 18.119 0.300 . 1 . . . A 21 ILE CG2 . 11487 1 166 . 1 1 21 21 ILE CD1 C 13 12.575 0.300 . 1 . . . A 21 ILE CD1 . 11487 1 167 . 1 1 21 21 ILE N N 15 118.175 0.300 . 1 . . . A 21 ILE N . 11487 1 168 . 1 1 22 22 LYS HA H 1 3.018 0.030 . 1 . . . A 22 LYS HA . 11487 1 169 . 1 1 22 22 LYS HB2 H 1 0.834 0.030 . 2 . . . A 22 LYS HB2 . 11487 1 170 . 1 1 22 22 LYS HB3 H 1 1.449 0.030 . 2 . . . A 22 LYS HB3 . 11487 1 171 . 1 1 22 22 LYS HG2 H 1 0.883 0.030 . 2 . . . A 22 LYS HG2 . 11487 1 172 . 1 1 22 22 LYS HG3 H 1 1.118 0.030 . 2 . . . A 22 LYS HG3 . 11487 1 173 . 1 1 22 22 LYS HD2 H 1 1.491 0.030 . 2 . . . A 22 LYS HD2 . 11487 1 174 . 1 1 22 22 LYS HD3 H 1 1.418 0.030 . 2 . . . A 22 LYS HD3 . 11487 1 175 . 1 1 22 22 LYS HE2 H 1 2.893 0.030 . 1 . . . A 22 LYS HE2 . 11487 1 176 . 1 1 22 22 LYS HE3 H 1 2.893 0.030 . 1 . . . A 22 LYS HE3 . 11487 1 177 . 1 1 22 22 LYS C C 13 178.553 0.300 . 1 . . . A 22 LYS C . 11487 1 178 . 1 1 22 22 LYS CA C 13 60.410 0.300 . 1 . . . A 22 LYS CA . 11487 1 179 . 1 1 22 22 LYS CB C 13 31.432 0.300 . 1 . . . A 22 LYS CB . 11487 1 180 . 1 1 22 22 LYS CG C 13 24.766 0.300 . 1 . . . A 22 LYS CG . 11487 1 181 . 1 1 22 22 LYS CD C 13 28.986 0.300 . 1 . . . A 22 LYS CD . 11487 1 182 . 1 1 22 22 LYS CE C 13 42.072 0.300 . 1 . . . A 22 LYS CE . 11487 1 183 . 1 1 23 23 ALA H H 1 8.675 0.030 . 1 . . . A 23 ALA H . 11487 1 184 . 1 1 23 23 ALA HA H 1 4.077 0.030 . 1 . . . A 23 ALA HA . 11487 1 185 . 1 1 23 23 ALA HB1 H 1 1.388 0.030 . 1 . . . A 23 ALA HB1 . 11487 1 186 . 1 1 23 23 ALA HB2 H 1 1.388 0.030 . 1 . . . A 23 ALA HB2 . 11487 1 187 . 1 1 23 23 ALA HB3 H 1 1.388 0.030 . 1 . . . A 23 ALA HB3 . 11487 1 188 . 1 1 23 23 ALA C C 13 179.712 0.300 . 1 . . . A 23 ALA C . 11487 1 189 . 1 1 23 23 ALA CA C 13 55.172 0.300 . 1 . . . A 23 ALA CA . 11487 1 190 . 1 1 23 23 ALA CB C 13 18.407 0.300 . 1 . . . A 23 ALA CB . 11487 1 191 . 1 1 23 23 ALA N N 15 119.162 0.300 . 1 . . . A 23 ALA N . 11487 1 192 . 1 1 24 24 ASN H H 1 7.081 0.030 . 1 . . . A 24 ASN H . 11487 1 193 . 1 1 24 24 ASN HA H 1 4.522 0.030 . 1 . . . A 24 ASN HA . 11487 1 194 . 1 1 24 24 ASN HB2 H 1 3.306 0.030 . 2 . . . A 24 ASN HB2 . 11487 1 195 . 1 1 24 24 ASN HB3 H 1 3.173 0.030 . 2 . . . A 24 ASN HB3 . 11487 1 196 . 1 1 24 24 ASN HD21 H 1 7.228 0.030 . 2 . . . A 24 ASN HD21 . 11487 1 197 . 1 1 24 24 ASN HD22 H 1 7.348 0.030 . 2 . . . A 24 ASN HD22 . 11487 1 198 . 1 1 24 24 ASN C C 13 178.899 0.300 . 1 . . . A 24 ASN C . 11487 1 199 . 1 1 24 24 ASN CA C 13 55.221 0.300 . 1 . . . A 24 ASN CA . 11487 1 200 . 1 1 24 24 ASN CB C 13 36.916 0.300 . 1 . . . A 24 ASN CB . 11487 1 201 . 1 1 24 24 ASN N N 15 114.730 0.300 . 1 . . . A 24 ASN N . 11487 1 202 . 1 1 24 24 ASN ND2 N 15 110.924 0.300 . 1 . . . A 24 ASN ND2 . 11487 1 203 . 1 1 25 25 LEU H H 1 7.503 0.030 . 1 . . . A 25 LEU H . 11487 1 204 . 1 1 25 25 LEU HA H 1 4.399 0.030 . 1 . . . A 25 LEU HA . 11487 1 205 . 1 1 25 25 LEU HB2 H 1 1.549 0.030 . 2 . . . A 25 LEU HB2 . 11487 1 206 . 1 1 25 25 LEU HB3 H 1 2.215 0.030 . 2 . . . A 25 LEU HB3 . 11487 1 207 . 1 1 25 25 LEU HG H 1 1.786 0.030 . 1 . . . A 25 LEU HG . 11487 1 208 . 1 1 25 25 LEU HD11 H 1 1.020 0.030 . 1 . . . A 25 LEU HD11 . 11487 1 209 . 1 1 25 25 LEU HD12 H 1 1.020 0.030 . 1 . . . A 25 LEU HD12 . 11487 1 210 . 1 1 25 25 LEU HD13 H 1 1.020 0.030 . 1 . . . A 25 LEU HD13 . 11487 1 211 . 1 1 25 25 LEU HD21 H 1 1.079 0.030 . 1 . . . A 25 LEU HD21 . 11487 1 212 . 1 1 25 25 LEU HD22 H 1 1.079 0.030 . 1 . . . A 25 LEU HD22 . 11487 1 213 . 1 1 25 25 LEU HD23 H 1 1.079 0.030 . 1 . . . A 25 LEU HD23 . 11487 1 214 . 1 1 25 25 LEU C C 13 177.632 0.300 . 1 . . . A 25 LEU C . 11487 1 215 . 1 1 25 25 LEU CA C 13 57.952 0.300 . 1 . . . A 25 LEU CA . 11487 1 216 . 1 1 25 25 LEU CB C 13 40.235 0.300 . 1 . . . A 25 LEU CB . 11487 1 217 . 1 1 25 25 LEU CG C 13 27.419 0.300 . 1 . . . A 25 LEU CG . 11487 1 218 . 1 1 25 25 LEU CD1 C 13 25.854 0.300 . 2 . . . A 25 LEU CD1 . 11487 1 219 . 1 1 25 25 LEU CD2 C 13 22.938 0.300 . 2 . . . A 25 LEU CD2 . 11487 1 220 . 1 1 25 25 LEU N N 15 122.841 0.300 . 1 . . . A 25 LEU N . 11487 1 221 . 1 1 26 26 ASN H H 1 8.089 0.030 . 1 . . . A 26 ASN H . 11487 1 222 . 1 1 26 26 ASN HA H 1 4.400 0.030 . 1 . . . A 26 ASN HA . 11487 1 223 . 1 1 26 26 ASN HB2 H 1 2.905 0.030 . 2 . . . A 26 ASN HB2 . 11487 1 224 . 1 1 26 26 ASN HB3 H 1 2.813 0.030 . 2 . . . A 26 ASN HB3 . 11487 1 225 . 1 1 26 26 ASN HD21 H 1 7.584 0.030 . 2 . . . A 26 ASN HD21 . 11487 1 226 . 1 1 26 26 ASN HD22 H 1 6.758 0.030 . 2 . . . A 26 ASN HD22 . 11487 1 227 . 1 1 26 26 ASN C C 13 178.028 0.300 . 1 . . . A 26 ASN C . 11487 1 228 . 1 1 26 26 ASN CA C 13 56.652 0.300 . 1 . . . A 26 ASN CA . 11487 1 229 . 1 1 26 26 ASN CB C 13 37.587 0.300 . 1 . . . A 26 ASN CB . 11487 1 230 . 1 1 26 26 ASN N N 15 117.499 0.300 . 1 . . . A 26 ASN N . 11487 1 231 . 1 1 26 26 ASN ND2 N 15 110.748 0.300 . 1 . . . A 26 ASN ND2 . 11487 1 232 . 1 1 27 27 VAL H H 1 7.473 0.030 . 1 . . . A 27 VAL H . 11487 1 233 . 1 1 27 27 VAL HA H 1 3.612 0.030 . 1 . . . A 27 VAL HA . 11487 1 234 . 1 1 27 27 VAL HB H 1 2.088 0.030 . 1 . . . A 27 VAL HB . 11487 1 235 . 1 1 27 27 VAL HG11 H 1 0.933 0.030 . 1 . . . A 27 VAL HG11 . 11487 1 236 . 1 1 27 27 VAL HG12 H 1 0.933 0.030 . 1 . . . A 27 VAL HG12 . 11487 1 237 . 1 1 27 27 VAL HG13 H 1 0.933 0.030 . 1 . . . A 27 VAL HG13 . 11487 1 238 . 1 1 27 27 VAL HG21 H 1 1.101 0.030 . 1 . . . A 27 VAL HG21 . 11487 1 239 . 1 1 27 27 VAL HG22 H 1 1.101 0.030 . 1 . . . A 27 VAL HG22 . 11487 1 240 . 1 1 27 27 VAL HG23 H 1 1.101 0.030 . 1 . . . A 27 VAL HG23 . 11487 1 241 . 1 1 27 27 VAL C C 13 178.400 0.300 . 1 . . . A 27 VAL C . 11487 1 242 . 1 1 27 27 VAL CA C 13 66.420 0.300 . 1 . . . A 27 VAL CA . 11487 1 243 . 1 1 27 27 VAL CB C 13 32.224 0.300 . 1 . . . A 27 VAL CB . 11487 1 244 . 1 1 27 27 VAL CG1 C 13 21.284 0.300 . 2 . . . A 27 VAL CG1 . 11487 1 245 . 1 1 27 27 VAL CG2 C 13 22.602 0.300 . 2 . . . A 27 VAL CG2 . 11487 1 246 . 1 1 27 27 VAL N N 15 118.723 0.300 . 1 . . . A 27 VAL N . 11487 1 247 . 1 1 28 28 HIS H H 1 7.803 0.030 . 1 . . . A 28 HIS H . 11487 1 248 . 1 1 28 28 HIS HA H 1 3.823 0.030 . 1 . . . A 28 HIS HA . 11487 1 249 . 1 1 28 28 HIS HB2 H 1 3.233 0.030 . 2 . . . A 28 HIS HB2 . 11487 1 250 . 1 1 28 28 HIS HB3 H 1 2.472 0.030 . 2 . . . A 28 HIS HB3 . 11487 1 251 . 1 1 28 28 HIS HD2 H 1 6.844 0.030 . 1 . . . A 28 HIS HD2 . 11487 1 252 . 1 1 28 28 HIS HE1 H 1 7.558 0.030 . 1 . . . A 28 HIS HE1 . 11487 1 253 . 1 1 28 28 HIS C C 13 176.633 0.300 . 1 . . . A 28 HIS C . 11487 1 254 . 1 1 28 28 HIS CA C 13 60.129 0.300 . 1 . . . A 28 HIS CA . 11487 1 255 . 1 1 28 28 HIS CB C 13 27.816 0.300 . 1 . . . A 28 HIS CB . 11487 1 256 . 1 1 28 28 HIS CD2 C 13 126.432 0.300 . 1 . . . A 28 HIS CD2 . 11487 1 257 . 1 1 28 28 HIS CE1 C 13 138.383 0.300 . 1 . . . A 28 HIS CE1 . 11487 1 258 . 1 1 28 28 HIS N N 15 121.292 0.300 . 1 . . . A 28 HIS N . 11487 1 259 . 1 1 29 29 LEU H H 1 8.564 0.030 . 1 . . . A 29 LEU H . 11487 1 260 . 1 1 29 29 LEU HA H 1 3.832 0.030 . 1 . . . A 29 LEU HA . 11487 1 261 . 1 1 29 29 LEU HB2 H 1 1.632 0.030 . 2 . . . A 29 LEU HB2 . 11487 1 262 . 1 1 29 29 LEU HB3 H 1 1.924 0.030 . 2 . . . A 29 LEU HB3 . 11487 1 263 . 1 1 29 29 LEU HG H 1 2.066 0.030 . 1 . . . A 29 LEU HG . 11487 1 264 . 1 1 29 29 LEU HD11 H 1 1.070 0.030 . 1 . . . A 29 LEU HD11 . 11487 1 265 . 1 1 29 29 LEU HD12 H 1 1.070 0.030 . 1 . . . A 29 LEU HD12 . 11487 1 266 . 1 1 29 29 LEU HD13 H 1 1.070 0.030 . 1 . . . A 29 LEU HD13 . 11487 1 267 . 1 1 29 29 LEU HD21 H 1 1.231 0.030 . 1 . . . A 29 LEU HD21 . 11487 1 268 . 1 1 29 29 LEU HD22 H 1 1.231 0.030 . 1 . . . A 29 LEU HD22 . 11487 1 269 . 1 1 29 29 LEU HD23 H 1 1.231 0.030 . 1 . . . A 29 LEU HD23 . 11487 1 270 . 1 1 29 29 LEU C C 13 179.367 0.300 . 1 . . . A 29 LEU C . 11487 1 271 . 1 1 29 29 LEU CA C 13 58.183 0.300 . 1 . . . A 29 LEU CA . 11487 1 272 . 1 1 29 29 LEU CB C 13 42.332 0.300 . 1 . . . A 29 LEU CB . 11487 1 273 . 1 1 29 29 LEU CG C 13 27.292 0.300 . 1 . . . A 29 LEU CG . 11487 1 274 . 1 1 29 29 LEU CD1 C 13 25.573 0.300 . 2 . . . A 29 LEU CD1 . 11487 1 275 . 1 1 29 29 LEU CD2 C 13 24.755 0.300 . 2 . . . A 29 LEU CD2 . 11487 1 276 . 1 1 29 29 LEU N N 15 116.704 0.300 . 1 . . . A 29 LEU N . 11487 1 277 . 1 1 30 30 ARG H H 1 7.239 0.030 . 1 . . . A 30 ARG H . 11487 1 278 . 1 1 30 30 ARG HA H 1 4.083 0.030 . 1 . . . A 30 ARG HA . 11487 1 279 . 1 1 30 30 ARG HB2 H 1 1.916 0.030 . 2 . . . A 30 ARG HB2 . 11487 1 280 . 1 1 30 30 ARG HB3 H 1 1.799 0.030 . 2 . . . A 30 ARG HB3 . 11487 1 281 . 1 1 30 30 ARG HG2 H 1 1.683 0.030 . 2 . . . A 30 ARG HG2 . 11487 1 282 . 1 1 30 30 ARG HG3 H 1 1.859 0.030 . 2 . . . A 30 ARG HG3 . 11487 1 283 . 1 1 30 30 ARG HD2 H 1 3.196 0.030 . 1 . . . A 30 ARG HD2 . 11487 1 284 . 1 1 30 30 ARG HD3 H 1 3.196 0.030 . 1 . . . A 30 ARG HD3 . 11487 1 285 . 1 1 30 30 ARG C C 13 178.363 0.300 . 1 . . . A 30 ARG C . 11487 1 286 . 1 1 30 30 ARG CA C 13 58.258 0.300 . 1 . . . A 30 ARG CA . 11487 1 287 . 1 1 30 30 ARG CB C 13 29.900 0.300 . 1 . . . A 30 ARG CB . 11487 1 288 . 1 1 30 30 ARG CG C 13 27.602 0.300 . 1 . . . A 30 ARG CG . 11487 1 289 . 1 1 30 30 ARG CD C 13 43.695 0.300 . 1 . . . A 30 ARG CD . 11487 1 290 . 1 1 30 30 ARG N N 15 117.034 0.300 . 1 . . . A 30 ARG N . 11487 1 291 . 1 1 31 31 LYS H H 1 7.880 0.030 . 1 . . . A 31 LYS H . 11487 1 292 . 1 1 31 31 LYS HA H 1 3.953 0.030 . 1 . . . A 31 LYS HA . 11487 1 293 . 1 1 31 31 LYS HB2 H 1 1.357 0.030 . 1 . . . A 31 LYS HB2 . 11487 1 294 . 1 1 31 31 LYS HB3 H 1 1.357 0.030 . 1 . . . A 31 LYS HB3 . 11487 1 295 . 1 1 31 31 LYS HG2 H 1 1.143 0.030 . 2 . . . A 31 LYS HG2 . 11487 1 296 . 1 1 31 31 LYS HD2 H 1 1.380 0.030 . 2 . . . A 31 LYS HD2 . 11487 1 297 . 1 1 31 31 LYS HE2 H 1 2.839 0.030 . 1 . . . A 31 LYS HE2 . 11487 1 298 . 1 1 31 31 LYS HE3 H 1 2.839 0.030 . 1 . . . A 31 LYS HE3 . 11487 1 299 . 1 1 31 31 LYS C C 13 177.821 0.300 . 1 . . . A 31 LYS C . 11487 1 300 . 1 1 31 31 LYS CA C 13 57.763 0.300 . 1 . . . A 31 LYS CA . 11487 1 301 . 1 1 31 31 LYS CB C 13 31.579 0.300 . 1 . . . A 31 LYS CB . 11487 1 302 . 1 1 31 31 LYS CG C 13 24.725 0.300 . 1 . . . A 31 LYS CG . 11487 1 303 . 1 1 31 31 LYS CD C 13 29.142 0.300 . 1 . . . A 31 LYS CD . 11487 1 304 . 1 1 31 31 LYS CE C 13 41.919 0.300 . 1 . . . A 31 LYS CE . 11487 1 305 . 1 1 31 31 LYS N N 15 117.799 0.300 . 1 . . . A 31 LYS N . 11487 1 306 . 1 1 32 32 HIS H H 1 7.261 0.030 . 1 . . . A 32 HIS H . 11487 1 307 . 1 1 32 32 HIS HA H 1 4.735 0.030 . 1 . . . A 32 HIS HA . 11487 1 308 . 1 1 32 32 HIS HB2 H 1 3.096 0.030 . 2 . . . A 32 HIS HB2 . 11487 1 309 . 1 1 32 32 HIS HB3 H 1 3.268 0.030 . 2 . . . A 32 HIS HB3 . 11487 1 310 . 1 1 32 32 HIS HD2 H 1 6.616 0.030 . 1 . . . A 32 HIS HD2 . 11487 1 311 . 1 1 32 32 HIS HE1 H 1 7.939 0.030 . 1 . . . A 32 HIS HE1 . 11487 1 312 . 1 1 32 32 HIS C C 13 175.591 0.300 . 1 . . . A 32 HIS C . 11487 1 313 . 1 1 32 32 HIS CA C 13 55.492 0.300 . 1 . . . A 32 HIS CA . 11487 1 314 . 1 1 32 32 HIS CB C 13 28.730 0.300 . 1 . . . A 32 HIS CB . 11487 1 315 . 1 1 32 32 HIS CD2 C 13 127.287 0.300 . 1 . . . A 32 HIS CD2 . 11487 1 316 . 1 1 32 32 HIS CE1 C 13 139.611 0.300 . 1 . . . A 32 HIS CE1 . 11487 1 317 . 1 1 32 32 HIS N N 15 115.375 0.300 . 1 . . . A 32 HIS N . 11487 1 318 . 1 1 33 33 THR H H 1 7.788 0.030 . 1 . . . A 33 THR H . 11487 1 319 . 1 1 33 33 THR HA H 1 4.313 0.030 . 1 . . . A 33 THR HA . 11487 1 320 . 1 1 33 33 THR HB H 1 4.267 0.030 . 1 . . . A 33 THR HB . 11487 1 321 . 1 1 33 33 THR HG21 H 1 1.224 0.030 . 1 . . . A 33 THR HG21 . 11487 1 322 . 1 1 33 33 THR HG22 H 1 1.224 0.030 . 1 . . . A 33 THR HG22 . 11487 1 323 . 1 1 33 33 THR HG23 H 1 1.224 0.030 . 1 . . . A 33 THR HG23 . 11487 1 324 . 1 1 33 33 THR C C 13 175.172 0.300 . 1 . . . A 33 THR C . 11487 1 325 . 1 1 33 33 THR CA C 13 62.695 0.300 . 1 . . . A 33 THR CA . 11487 1 326 . 1 1 33 33 THR CB C 13 69.720 0.300 . 1 . . . A 33 THR CB . 11487 1 327 . 1 1 33 33 THR CG2 C 13 21.581 0.300 . 1 . . . A 33 THR CG2 . 11487 1 328 . 1 1 33 33 THR N N 15 113.439 0.300 . 1 . . . A 33 THR N . 11487 1 329 . 1 1 34 34 GLY H H 1 8.367 0.030 . 1 . . . A 34 GLY H . 11487 1 330 . 1 1 34 34 GLY HA2 H 1 3.972 0.030 . 2 . . . A 34 GLY HA2 . 11487 1 331 . 1 1 34 34 GLY HA3 H 1 3.930 0.030 . 2 . . . A 34 GLY HA3 . 11487 1 332 . 1 1 34 34 GLY C C 13 173.763 0.300 . 1 . . . A 34 GLY C . 11487 1 333 . 1 1 34 34 GLY CA C 13 45.313 0.300 . 1 . . . A 34 GLY CA . 11487 1 334 . 1 1 34 34 GLY N N 15 111.367 0.300 . 1 . . . A 34 GLY N . 11487 1 335 . 1 1 35 35 GLU H H 1 8.035 0.030 . 1 . . . A 35 GLU H . 11487 1 336 . 1 1 35 35 GLU HA H 1 4.097 0.030 . 1 . . . A 35 GLU HA . 11487 1 337 . 1 1 35 35 GLU HB2 H 1 1.832 0.030 . 1 . . . A 35 GLU HB2 . 11487 1 338 . 1 1 35 35 GLU HB3 H 1 1.832 0.030 . 1 . . . A 35 GLU HB3 . 11487 1 339 . 1 1 35 35 GLU HG2 H 1 1.961 0.030 . 2 . . . A 35 GLU HG2 . 11487 1 340 . 1 1 35 35 GLU HG3 H 1 2.109 0.030 . 2 . . . A 35 GLU HG3 . 11487 1 341 . 1 1 35 35 GLU C C 13 175.135 0.300 . 1 . . . A 35 GLU C . 11487 1 342 . 1 1 35 35 GLU CA C 13 56.487 0.300 . 1 . . . A 35 GLU CA . 11487 1 343 . 1 1 35 35 GLU CB C 13 30.464 0.300 . 1 . . . A 35 GLU CB . 11487 1 344 . 1 1 35 35 GLU CG C 13 36.248 0.300 . 1 . . . A 35 GLU CG . 11487 1 345 . 1 1 35 35 GLU N N 15 121.131 0.300 . 1 . . . A 35 GLU N . 11487 1 346 . 1 1 36 36 LYS H H 1 7.857 0.030 . 1 . . . A 36 LYS H . 11487 1 347 . 1 1 36 36 LYS HA H 1 4.380 0.030 . 1 . . . A 36 LYS HA . 11487 1 348 . 1 1 36 36 LYS HB2 H 1 1.573 0.030 . 1 . . . A 36 LYS HB2 . 11487 1 349 . 1 1 36 36 LYS HB3 H 1 1.573 0.030 . 1 . . . A 36 LYS HB3 . 11487 1 350 . 1 1 36 36 LYS HG2 H 1 1.182 0.030 . 2 . . . A 36 LYS HG2 . 11487 1 351 . 1 1 36 36 LYS HG3 H 1 1.298 0.030 . 2 . . . A 36 LYS HG3 . 11487 1 352 . 1 1 36 36 LYS HD2 H 1 1.521 0.030 . 2 . . . A 36 LYS HD2 . 11487 1 353 . 1 1 36 36 LYS HE2 H 1 2.856 0.030 . 1 . . . A 36 LYS HE2 . 11487 1 354 . 1 1 36 36 LYS HE3 H 1 2.856 0.030 . 1 . . . A 36 LYS HE3 . 11487 1 355 . 1 1 36 36 LYS C C 13 175.347 0.300 . 1 . . . A 36 LYS C . 11487 1 356 . 1 1 36 36 LYS CA C 13 55.514 0.300 . 1 . . . A 36 LYS CA . 11487 1 357 . 1 1 36 36 LYS CB C 13 34.295 0.300 . 1 . . . A 36 LYS CB . 11487 1 358 . 1 1 36 36 LYS CG C 13 24.746 0.300 . 1 . . . A 36 LYS CG . 11487 1 359 . 1 1 36 36 LYS CD C 13 29.254 0.300 . 1 . . . A 36 LYS CD . 11487 1 360 . 1 1 36 36 LYS CE C 13 42.009 0.300 . 1 . . . A 36 LYS CE . 11487 1 361 . 1 1 36 36 LYS N N 15 120.467 0.300 . 1 . . . A 36 LYS N . 11487 1 362 . 1 1 37 37 PHE H H 1 8.559 0.030 . 1 . . . A 37 PHE H . 11487 1 363 . 1 1 37 37 PHE HA H 1 4.522 0.030 . 1 . . . A 37 PHE HA . 11487 1 364 . 1 1 37 37 PHE HB2 H 1 2.859 0.030 . 1 . . . A 37 PHE HB2 . 11487 1 365 . 1 1 37 37 PHE HB3 H 1 2.859 0.030 . 1 . . . A 37 PHE HB3 . 11487 1 366 . 1 1 37 37 PHE HD1 H 1 7.054 0.030 . 1 . . . A 37 PHE HD1 . 11487 1 367 . 1 1 37 37 PHE HD2 H 1 7.054 0.030 . 1 . . . A 37 PHE HD2 . 11487 1 368 . 1 1 37 37 PHE HE1 H 1 7.287 0.030 . 1 . . . A 37 PHE HE1 . 11487 1 369 . 1 1 37 37 PHE HE2 H 1 7.287 0.030 . 1 . . . A 37 PHE HE2 . 11487 1 370 . 1 1 37 37 PHE HZ H 1 7.294 0.030 . 1 . . . A 37 PHE HZ . 11487 1 371 . 1 1 37 37 PHE C C 13 173.803 0.300 . 1 . . . A 37 PHE C . 11487 1 372 . 1 1 37 37 PHE CA C 13 57.667 0.300 . 1 . . . A 37 PHE CA . 11487 1 373 . 1 1 37 37 PHE CB C 13 40.544 0.300 . 1 . . . A 37 PHE CB . 11487 1 374 . 1 1 37 37 PHE CD1 C 13 131.455 0.300 . 1 . . . A 37 PHE CD1 . 11487 1 375 . 1 1 37 37 PHE CD2 C 13 131.455 0.300 . 1 . . . A 37 PHE CD2 . 11487 1 376 . 1 1 37 37 PHE CE1 C 13 131.376 0.300 . 1 . . . A 37 PHE CE1 . 11487 1 377 . 1 1 37 37 PHE CE2 C 13 131.376 0.300 . 1 . . . A 37 PHE CE2 . 11487 1 378 . 1 1 37 37 PHE CZ C 13 129.787 0.300 . 1 . . . A 37 PHE CZ . 11487 1 379 . 1 1 37 37 PHE N N 15 121.383 0.300 . 1 . . . A 37 PHE N . 11487 1 380 . 1 1 38 38 ALA H H 1 8.574 0.030 . 1 . . . A 38 ALA H . 11487 1 381 . 1 1 38 38 ALA HA H 1 4.898 0.030 . 1 . . . A 38 ALA HA . 11487 1 382 . 1 1 38 38 ALA HB1 H 1 1.360 0.030 . 1 . . . A 38 ALA HB1 . 11487 1 383 . 1 1 38 38 ALA HB2 H 1 1.360 0.030 . 1 . . . A 38 ALA HB2 . 11487 1 384 . 1 1 38 38 ALA HB3 H 1 1.360 0.030 . 1 . . . A 38 ALA HB3 . 11487 1 385 . 1 1 38 38 ALA C C 13 175.891 0.300 . 1 . . . A 38 ALA C . 11487 1 386 . 1 1 38 38 ALA CA C 13 50.673 0.300 . 1 . . . A 38 ALA CA . 11487 1 387 . 1 1 38 38 ALA CB C 13 21.459 0.300 . 1 . . . A 38 ALA CB . 11487 1 388 . 1 1 38 38 ALA N N 15 125.410 0.300 . 1 . . . A 38 ALA N . 11487 1 389 . 1 1 39 39 CYS H H 1 8.412 0.030 . 1 . . . A 39 CYS H . 11487 1 390 . 1 1 39 39 CYS HA H 1 4.265 0.030 . 1 . . . A 39 CYS HA . 11487 1 391 . 1 1 39 39 CYS HB2 H 1 2.807 0.030 . 2 . . . A 39 CYS HB2 . 11487 1 392 . 1 1 39 39 CYS HB3 H 1 3.455 0.030 . 2 . . . A 39 CYS HB3 . 11487 1 393 . 1 1 39 39 CYS C C 13 175.285 0.300 . 1 . . . A 39 CYS C . 11487 1 394 . 1 1 39 39 CYS CA C 13 60.601 0.300 . 1 . . . A 39 CYS CA . 11487 1 395 . 1 1 39 39 CYS CB C 13 30.491 0.300 . 1 . . . A 39 CYS CB . 11487 1 396 . 1 1 39 39 CYS N N 15 125.225 0.300 . 1 . . . A 39 CYS N . 11487 1 397 . 1 1 40 40 ASP H H 1 8.187 0.030 . 1 . . . A 40 ASP H . 11487 1 398 . 1 1 40 40 ASP HA H 1 4.424 0.030 . 1 . . . A 40 ASP HA . 11487 1 399 . 1 1 40 40 ASP HB2 H 1 1.570 0.030 . 2 . . . A 40 ASP HB2 . 11487 1 400 . 1 1 40 40 ASP HB3 H 1 2.174 0.030 . 2 . . . A 40 ASP HB3 . 11487 1 401 . 1 1 40 40 ASP C C 13 176.611 0.300 . 1 . . . A 40 ASP C . 11487 1 402 . 1 1 40 40 ASP CA C 13 56.027 0.300 . 1 . . . A 40 ASP CA . 11487 1 403 . 1 1 40 40 ASP CB C 13 41.283 0.300 . 1 . . . A 40 ASP CB . 11487 1 404 . 1 1 40 40 ASP N N 15 125.702 0.300 . 1 . . . A 40 ASP N . 11487 1 405 . 1 1 41 41 TYR H H 1 9.811 0.030 . 1 . . . A 41 TYR H . 11487 1 406 . 1 1 41 41 TYR HA H 1 4.523 0.030 . 1 . . . A 41 TYR HA . 11487 1 407 . 1 1 41 41 TYR HB2 H 1 1.321 0.030 . 2 . . . A 41 TYR HB2 . 11487 1 408 . 1 1 41 41 TYR HB3 H 1 2.650 0.030 . 2 . . . A 41 TYR HB3 . 11487 1 409 . 1 1 41 41 TYR HD1 H 1 6.896 0.030 . 1 . . . A 41 TYR HD1 . 11487 1 410 . 1 1 41 41 TYR HD2 H 1 6.896 0.030 . 1 . . . A 41 TYR HD2 . 11487 1 411 . 1 1 41 41 TYR HE1 H 1 6.796 0.030 . 1 . . . A 41 TYR HE1 . 11487 1 412 . 1 1 41 41 TYR HE2 H 1 6.796 0.030 . 1 . . . A 41 TYR HE2 . 11487 1 413 . 1 1 41 41 TYR C C 13 174.908 0.300 . 1 . . . A 41 TYR C . 11487 1 414 . 1 1 41 41 TYR CA C 13 57.752 0.300 . 1 . . . A 41 TYR CA . 11487 1 415 . 1 1 41 41 TYR CB C 13 38.300 0.300 . 1 . . . A 41 TYR CB . 11487 1 416 . 1 1 41 41 TYR CD1 C 13 132.864 0.300 . 1 . . . A 41 TYR CD1 . 11487 1 417 . 1 1 41 41 TYR CD2 C 13 132.864 0.300 . 1 . . . A 41 TYR CD2 . 11487 1 418 . 1 1 41 41 TYR CE1 C 13 118.185 0.300 . 1 . . . A 41 TYR CE1 . 11487 1 419 . 1 1 41 41 TYR CE2 C 13 118.185 0.300 . 1 . . . A 41 TYR CE2 . 11487 1 420 . 1 1 41 41 TYR N N 15 120.579 0.300 . 1 . . . A 41 TYR N . 11487 1 421 . 1 1 42 42 CYS H H 1 8.000 0.030 . 1 . . . A 42 CYS H . 11487 1 422 . 1 1 42 42 CYS HA H 1 5.011 0.030 . 1 . . . A 42 CYS HA . 11487 1 423 . 1 1 42 42 CYS HB2 H 1 3.362 0.030 . 2 . . . A 42 CYS HB2 . 11487 1 424 . 1 1 42 42 CYS HB3 H 1 3.489 0.030 . 2 . . . A 42 CYS HB3 . 11487 1 425 . 1 1 42 42 CYS C C 13 173.447 0.300 . 1 . . . A 42 CYS C . 11487 1 426 . 1 1 42 42 CYS CA C 13 58.695 0.300 . 1 . . . A 42 CYS CA . 11487 1 427 . 1 1 42 42 CYS CB C 13 30.154 0.300 . 1 . . . A 42 CYS CB . 11487 1 428 . 1 1 42 42 CYS N N 15 119.670 0.300 . 1 . . . A 42 CYS N . 11487 1 429 . 1 1 43 43 SER H H 1 8.146 0.030 . 1 . . . A 43 SER H . 11487 1 430 . 1 1 43 43 SER HA H 1 4.556 0.030 . 1 . . . A 43 SER HA . 11487 1 431 . 1 1 43 43 SER HB2 H 1 3.964 0.030 . 2 . . . A 43 SER HB2 . 11487 1 432 . 1 1 43 43 SER HB3 H 1 4.154 0.030 . 2 . . . A 43 SER HB3 . 11487 1 433 . 1 1 43 43 SER C C 13 174.033 0.300 . 1 . . . A 43 SER C . 11487 1 434 . 1 1 43 43 SER CA C 13 59.683 0.300 . 1 . . . A 43 SER CA . 11487 1 435 . 1 1 43 43 SER CB C 13 63.715 0.300 . 1 . . . A 43 SER CB . 11487 1 436 . 1 1 43 43 SER N N 15 111.589 0.300 . 1 . . . A 43 SER N . 11487 1 437 . 1 1 44 44 PHE H H 1 9.218 0.030 . 1 . . . A 44 PHE H . 11487 1 438 . 1 1 44 44 PHE HA H 1 4.313 0.030 . 1 . . . A 44 PHE HA . 11487 1 439 . 1 1 44 44 PHE HB2 H 1 2.286 0.030 . 2 . . . A 44 PHE HB2 . 11487 1 440 . 1 1 44 44 PHE HB3 H 1 3.029 0.030 . 2 . . . A 44 PHE HB3 . 11487 1 441 . 1 1 44 44 PHE HD1 H 1 6.675 0.030 . 1 . . . A 44 PHE HD1 . 11487 1 442 . 1 1 44 44 PHE HD2 H 1 6.675 0.030 . 1 . . . A 44 PHE HD2 . 11487 1 443 . 1 1 44 44 PHE HE1 H 1 7.202 0.030 . 1 . . . A 44 PHE HE1 . 11487 1 444 . 1 1 44 44 PHE HE2 H 1 7.202 0.030 . 1 . . . A 44 PHE HE2 . 11487 1 445 . 1 1 44 44 PHE HZ H 1 6.990 0.030 . 1 . . . A 44 PHE HZ . 11487 1 446 . 1 1 44 44 PHE C C 13 174.534 0.300 . 1 . . . A 44 PHE C . 11487 1 447 . 1 1 44 44 PHE CA C 13 60.569 0.300 . 1 . . . A 44 PHE CA . 11487 1 448 . 1 1 44 44 PHE CB C 13 41.351 0.300 . 1 . . . A 44 PHE CB . 11487 1 449 . 1 1 44 44 PHE CD1 C 13 131.281 0.300 . 1 . . . A 44 PHE CD1 . 11487 1 450 . 1 1 44 44 PHE CD2 C 13 131.281 0.300 . 1 . . . A 44 PHE CD2 . 11487 1 451 . 1 1 44 44 PHE CE1 C 13 130.429 0.300 . 1 . . . A 44 PHE CE1 . 11487 1 452 . 1 1 44 44 PHE CE2 C 13 130.429 0.300 . 1 . . . A 44 PHE CE2 . 11487 1 453 . 1 1 44 44 PHE CZ C 13 129.468 0.300 . 1 . . . A 44 PHE CZ . 11487 1 454 . 1 1 44 44 PHE N N 15 127.935 0.300 . 1 . . . A 44 PHE N . 11487 1 455 . 1 1 45 45 THR H H 1 7.154 0.030 . 1 . . . A 45 THR H . 11487 1 456 . 1 1 45 45 THR HA H 1 4.985 0.030 . 1 . . . A 45 THR HA . 11487 1 457 . 1 1 45 45 THR HB H 1 3.928 0.030 . 1 . . . A 45 THR HB . 11487 1 458 . 1 1 45 45 THR HG21 H 1 1.133 0.030 . 1 . . . A 45 THR HG21 . 11487 1 459 . 1 1 45 45 THR HG22 H 1 1.133 0.030 . 1 . . . A 45 THR HG22 . 11487 1 460 . 1 1 45 45 THR HG23 H 1 1.133 0.030 . 1 . . . A 45 THR HG23 . 11487 1 461 . 1 1 45 45 THR C C 13 171.870 0.300 . 1 . . . A 45 THR C . 11487 1 462 . 1 1 45 45 THR CA C 13 59.227 0.300 . 1 . . . A 45 THR CA . 11487 1 463 . 1 1 45 45 THR CB C 13 72.665 0.300 . 1 . . . A 45 THR CB . 11487 1 464 . 1 1 45 45 THR CG2 C 13 21.449 0.300 . 1 . . . A 45 THR CG2 . 11487 1 465 . 1 1 45 45 THR N N 15 117.999 0.300 . 1 . . . A 45 THR N . 11487 1 466 . 1 1 46 46 CYS H H 1 8.660 0.030 . 1 . . . A 46 CYS H . 11487 1 467 . 1 1 46 46 CYS HA H 1 4.794 0.030 . 1 . . . A 46 CYS HA . 11487 1 468 . 1 1 46 46 CYS HB2 H 1 3.221 0.030 . 2 . . . A 46 CYS HB2 . 11487 1 469 . 1 1 46 46 CYS HB3 H 1 2.835 0.030 . 2 . . . A 46 CYS HB3 . 11487 1 470 . 1 1 46 46 CYS C C 13 173.590 0.300 . 1 . . . A 46 CYS C . 11487 1 471 . 1 1 46 46 CYS CA C 13 56.731 0.300 . 1 . . . A 46 CYS CA . 11487 1 472 . 1 1 46 46 CYS CB C 13 30.585 0.300 . 1 . . . A 46 CYS CB . 11487 1 473 . 1 1 46 46 CYS N N 15 113.716 0.300 . 1 . . . A 46 CYS N . 11487 1 474 . 1 1 47 47 LEU H H 1 8.720 0.030 . 1 . . . A 47 LEU H . 11487 1 475 . 1 1 47 47 LEU HA H 1 4.819 0.030 . 1 . . . A 47 LEU HA . 11487 1 476 . 1 1 47 47 LEU HB2 H 1 1.840 0.030 . 2 . . . A 47 LEU HB2 . 11487 1 477 . 1 1 47 47 LEU HB3 H 1 1.715 0.030 . 2 . . . A 47 LEU HB3 . 11487 1 478 . 1 1 47 47 LEU HG H 1 1.647 0.030 . 1 . . . A 47 LEU HG . 11487 1 479 . 1 1 47 47 LEU HD11 H 1 0.918 0.030 . 1 . . . A 47 LEU HD11 . 11487 1 480 . 1 1 47 47 LEU HD12 H 1 0.918 0.030 . 1 . . . A 47 LEU HD12 . 11487 1 481 . 1 1 47 47 LEU HD13 H 1 0.918 0.030 . 1 . . . A 47 LEU HD13 . 11487 1 482 . 1 1 47 47 LEU HD21 H 1 0.851 0.030 . 1 . . . A 47 LEU HD21 . 11487 1 483 . 1 1 47 47 LEU HD22 H 1 0.851 0.030 . 1 . . . A 47 LEU HD22 . 11487 1 484 . 1 1 47 47 LEU HD23 H 1 0.851 0.030 . 1 . . . A 47 LEU HD23 . 11487 1 485 . 1 1 47 47 LEU C C 13 176.941 0.300 . 1 . . . A 47 LEU C . 11487 1 486 . 1 1 47 47 LEU CA C 13 55.512 0.300 . 1 . . . A 47 LEU CA . 11487 1 487 . 1 1 47 47 LEU CB C 13 43.004 0.300 . 1 . . . A 47 LEU CB . 11487 1 488 . 1 1 47 47 LEU CG C 13 27.185 0.300 . 1 . . . A 47 LEU CG . 11487 1 489 . 1 1 47 47 LEU CD1 C 13 25.250 0.300 . 2 . . . A 47 LEU CD1 . 11487 1 490 . 1 1 47 47 LEU CD2 C 13 23.207 0.300 . 2 . . . A 47 LEU CD2 . 11487 1 491 . 1 1 47 47 LEU N N 15 117.165 0.300 . 1 . . . A 47 LEU N . 11487 1 492 . 1 1 48 48 SER H H 1 7.585 0.030 . 1 . . . A 48 SER H . 11487 1 493 . 1 1 48 48 SER HA H 1 4.651 0.030 . 1 . . . A 48 SER HA . 11487 1 494 . 1 1 48 48 SER HB2 H 1 3.693 0.030 . 2 . . . A 48 SER HB2 . 11487 1 495 . 1 1 48 48 SER HB3 H 1 3.904 0.030 . 2 . . . A 48 SER HB3 . 11487 1 496 . 1 1 48 48 SER C C 13 173.797 0.300 . 1 . . . A 48 SER C . 11487 1 497 . 1 1 48 48 SER CA C 13 56.579 0.300 . 1 . . . A 48 SER CA . 11487 1 498 . 1 1 48 48 SER CB C 13 65.932 0.300 . 1 . . . A 48 SER CB . 11487 1 499 . 1 1 48 48 SER N N 15 112.100 0.300 . 1 . . . A 48 SER N . 11487 1 500 . 1 1 49 49 LYS H H 1 8.573 0.030 . 1 . . . A 49 LYS H . 11487 1 501 . 1 1 49 49 LYS HA H 1 3.237 0.030 . 1 . . . A 49 LYS HA . 11487 1 502 . 1 1 49 49 LYS HB2 H 1 1.527 0.030 . 2 . . . A 49 LYS HB2 . 11487 1 503 . 1 1 49 49 LYS HB3 H 1 1.432 0.030 . 2 . . . A 49 LYS HB3 . 11487 1 504 . 1 1 49 49 LYS HG2 H 1 1.087 0.030 . 1 . . . A 49 LYS HG2 . 11487 1 505 . 1 1 49 49 LYS HG3 H 1 1.087 0.030 . 1 . . . A 49 LYS HG3 . 11487 1 506 . 1 1 49 49 LYS HD2 H 1 1.598 0.030 . 1 . . . A 49 LYS HD2 . 11487 1 507 . 1 1 49 49 LYS HD3 H 1 1.598 0.030 . 1 . . . A 49 LYS HD3 . 11487 1 508 . 1 1 49 49 LYS HE2 H 1 2.953 0.030 . 1 . . . A 49 LYS HE2 . 11487 1 509 . 1 1 49 49 LYS HE3 H 1 2.953 0.030 . 1 . . . A 49 LYS HE3 . 11487 1 510 . 1 1 49 49 LYS C C 13 179.252 0.300 . 1 . . . A 49 LYS C . 11487 1 511 . 1 1 49 49 LYS CA C 13 59.157 0.300 . 1 . . . A 49 LYS CA . 11487 1 512 . 1 1 49 49 LYS CB C 13 31.999 0.300 . 1 . . . A 49 LYS CB . 11487 1 513 . 1 1 49 49 LYS CG C 13 25.167 0.300 . 1 . . . A 49 LYS CG . 11487 1 514 . 1 1 49 49 LYS CD C 13 29.235 0.300 . 1 . . . A 49 LYS CD . 11487 1 515 . 1 1 49 49 LYS CE C 13 42.037 0.300 . 1 . . . A 49 LYS CE . 11487 1 516 . 1 1 49 49 LYS N N 15 125.663 0.300 . 1 . . . A 49 LYS N . 11487 1 517 . 1 1 50 50 GLY HA2 H 1 3.863 0.030 . 2 . . . A 50 GLY HA2 . 11487 1 518 . 1 1 50 50 GLY HA3 H 1 3.795 0.030 . 2 . . . A 50 GLY HA3 . 11487 1 519 . 1 1 50 50 GLY C C 13 176.715 0.300 . 1 . . . A 50 GLY C . 11487 1 520 . 1 1 50 50 GLY CA C 13 47.009 0.300 . 1 . . . A 50 GLY CA . 11487 1 521 . 1 1 51 51 HIS H H 1 7.674 0.030 . 1 . . . A 51 HIS H . 11487 1 522 . 1 1 51 51 HIS HA H 1 4.546 0.030 . 1 . . . A 51 HIS HA . 11487 1 523 . 1 1 51 51 HIS HB2 H 1 3.316 0.030 . 1 . . . A 51 HIS HB2 . 11487 1 524 . 1 1 51 51 HIS HB3 H 1 3.316 0.030 . 1 . . . A 51 HIS HB3 . 11487 1 525 . 1 1 51 51 HIS HD2 H 1 7.102 0.030 . 1 . . . A 51 HIS HD2 . 11487 1 526 . 1 1 51 51 HIS C C 13 178.437 0.300 . 1 . . . A 51 HIS C . 11487 1 527 . 1 1 51 51 HIS CA C 13 58.364 0.300 . 1 . . . A 51 HIS CA . 11487 1 528 . 1 1 51 51 HIS CB C 13 31.701 0.300 . 1 . . . A 51 HIS CB . 11487 1 529 . 1 1 51 51 HIS CD2 C 13 117.305 0.300 . 1 . . . A 51 HIS CD2 . 11487 1 530 . 1 1 51 51 HIS N N 15 121.214 0.300 . 1 . . . A 51 HIS N . 11487 1 531 . 1 1 52 52 LEU H H 1 7.719 0.030 . 1 . . . A 52 LEU H . 11487 1 532 . 1 1 52 52 LEU HA H 1 4.368 0.030 . 1 . . . A 52 LEU HA . 11487 1 533 . 1 1 52 52 LEU HB2 H 1 1.393 0.030 . 2 . . . A 52 LEU HB2 . 11487 1 534 . 1 1 52 52 LEU HB3 H 1 2.094 0.030 . 2 . . . A 52 LEU HB3 . 11487 1 535 . 1 1 52 52 LEU HG H 1 1.844 0.030 . 1 . . . A 52 LEU HG . 11487 1 536 . 1 1 52 52 LEU HD11 H 1 1.092 0.030 . 1 . . . A 52 LEU HD11 . 11487 1 537 . 1 1 52 52 LEU HD12 H 1 1.092 0.030 . 1 . . . A 52 LEU HD12 . 11487 1 538 . 1 1 52 52 LEU HD13 H 1 1.092 0.030 . 1 . . . A 52 LEU HD13 . 11487 1 539 . 1 1 52 52 LEU HD21 H 1 1.027 0.030 . 1 . . . A 52 LEU HD21 . 11487 1 540 . 1 1 52 52 LEU HD22 H 1 1.027 0.030 . 1 . . . A 52 LEU HD22 . 11487 1 541 . 1 1 52 52 LEU HD23 H 1 1.027 0.030 . 1 . . . A 52 LEU HD23 . 11487 1 542 . 1 1 52 52 LEU C C 13 177.552 0.300 . 1 . . . A 52 LEU C . 11487 1 543 . 1 1 52 52 LEU CA C 13 58.094 0.300 . 1 . . . A 52 LEU CA . 11487 1 544 . 1 1 52 52 LEU CB C 13 41.378 0.300 . 1 . . . A 52 LEU CB . 11487 1 545 . 1 1 52 52 LEU CG C 13 26.836 0.300 . 1 . . . A 52 LEU CG . 11487 1 546 . 1 1 52 52 LEU CD1 C 13 22.549 0.300 . 2 . . . A 52 LEU CD1 . 11487 1 547 . 1 1 52 52 LEU CD2 C 13 26.325 0.300 . 2 . . . A 52 LEU CD2 . 11487 1 548 . 1 1 52 52 LEU N N 15 123.614 0.300 . 1 . . . A 52 LEU N . 11487 1 549 . 1 1 53 53 LYS H H 1 7.963 0.030 . 1 . . . A 53 LYS H . 11487 1 550 . 1 1 53 53 LYS HA H 1 4.010 0.030 . 1 . . . A 53 LYS HA . 11487 1 551 . 1 1 53 53 LYS HB2 H 1 1.986 0.030 . 1 . . . A 53 LYS HB2 . 11487 1 552 . 1 1 53 53 LYS HB3 H 1 1.986 0.030 . 1 . . . A 53 LYS HB3 . 11487 1 553 . 1 1 53 53 LYS HG2 H 1 1.411 0.030 . 2 . . . A 53 LYS HG2 . 11487 1 554 . 1 1 53 53 LYS HG3 H 1 1.572 0.030 . 2 . . . A 53 LYS HG3 . 11487 1 555 . 1 1 53 53 LYS HD2 H 1 1.700 0.030 . 1 . . . A 53 LYS HD2 . 11487 1 556 . 1 1 53 53 LYS HD3 H 1 1.700 0.030 . 1 . . . A 53 LYS HD3 . 11487 1 557 . 1 1 53 53 LYS HE2 H 1 2.976 0.030 . 1 . . . A 53 LYS HE2 . 11487 1 558 . 1 1 53 53 LYS HE3 H 1 2.976 0.030 . 1 . . . A 53 LYS HE3 . 11487 1 559 . 1 1 53 53 LYS C C 13 178.987 0.300 . 1 . . . A 53 LYS C . 11487 1 560 . 1 1 53 53 LYS CA C 13 60.172 0.300 . 1 . . . A 53 LYS CA . 11487 1 561 . 1 1 53 53 LYS CB C 13 32.534 0.300 . 1 . . . A 53 LYS CB . 11487 1 562 . 1 1 53 53 LYS CG C 13 24.954 0.300 . 1 . . . A 53 LYS CG . 11487 1 563 . 1 1 53 53 LYS CD C 13 29.524 0.300 . 1 . . . A 53 LYS CD . 11487 1 564 . 1 1 53 53 LYS CE C 13 42.146 0.300 . 1 . . . A 53 LYS CE . 11487 1 565 . 1 1 53 53 LYS N N 15 119.241 0.300 . 1 . . . A 53 LYS N . 11487 1 566 . 1 1 54 54 VAL H H 1 7.445 0.030 . 1 . . . A 54 VAL H . 11487 1 567 . 1 1 54 54 VAL HA H 1 3.775 0.030 . 1 . . . A 54 VAL HA . 11487 1 568 . 1 1 54 54 VAL HB H 1 2.133 0.030 . 1 . . . A 54 VAL HB . 11487 1 569 . 1 1 54 54 VAL HG11 H 1 0.973 0.030 . 1 . . . A 54 VAL HG11 . 11487 1 570 . 1 1 54 54 VAL HG12 H 1 0.973 0.030 . 1 . . . A 54 VAL HG12 . 11487 1 571 . 1 1 54 54 VAL HG13 H 1 0.973 0.030 . 1 . . . A 54 VAL HG13 . 11487 1 572 . 1 1 54 54 VAL HG21 H 1 1.100 0.030 . 1 . . . A 54 VAL HG21 . 11487 1 573 . 1 1 54 54 VAL HG22 H 1 1.100 0.030 . 1 . . . A 54 VAL HG22 . 11487 1 574 . 1 1 54 54 VAL HG23 H 1 1.100 0.030 . 1 . . . A 54 VAL HG23 . 11487 1 575 . 1 1 54 54 VAL C C 13 177.548 0.300 . 1 . . . A 54 VAL C . 11487 1 576 . 1 1 54 54 VAL CA C 13 66.094 0.300 . 1 . . . A 54 VAL CA . 11487 1 577 . 1 1 54 54 VAL CB C 13 31.996 0.300 . 1 . . . A 54 VAL CB . 11487 1 578 . 1 1 54 54 VAL CG1 C 13 21.069 0.300 . 2 . . . A 54 VAL CG1 . 11487 1 579 . 1 1 54 54 VAL CG2 C 13 22.614 0.300 . 2 . . . A 54 VAL CG2 . 11487 1 580 . 1 1 54 54 VAL N N 15 117.831 0.300 . 1 . . . A 54 VAL N . 11487 1 581 . 1 1 55 55 HIS H H 1 7.813 0.030 . 1 . . . A 55 HIS H . 11487 1 582 . 1 1 55 55 HIS HA H 1 4.054 0.030 . 1 . . . A 55 HIS HA . 11487 1 583 . 1 1 55 55 HIS HB2 H 1 2.599 0.030 . 2 . . . A 55 HIS HB2 . 11487 1 584 . 1 1 55 55 HIS HB3 H 1 3.459 0.030 . 2 . . . A 55 HIS HB3 . 11487 1 585 . 1 1 55 55 HIS HD2 H 1 7.134 0.030 . 1 . . . A 55 HIS HD2 . 11487 1 586 . 1 1 55 55 HIS HE1 H 1 7.490 0.030 . 1 . . . A 55 HIS HE1 . 11487 1 587 . 1 1 55 55 HIS C C 13 176.478 0.300 . 1 . . . A 55 HIS C . 11487 1 588 . 1 1 55 55 HIS CA C 13 59.979 0.300 . 1 . . . A 55 HIS CA . 11487 1 589 . 1 1 55 55 HIS CB C 13 28.099 0.300 . 1 . . . A 55 HIS CB . 11487 1 590 . 1 1 55 55 HIS CD2 C 13 127.243 0.300 . 1 . . . A 55 HIS CD2 . 11487 1 591 . 1 1 55 55 HIS CE1 C 13 138.602 0.300 . 1 . . . A 55 HIS CE1 . 11487 1 592 . 1 1 55 55 HIS N N 15 119.170 0.300 . 1 . . . A 55 HIS N . 11487 1 593 . 1 1 56 56 ILE H H 1 8.687 0.030 . 1 . . . A 56 ILE H . 11487 1 594 . 1 1 56 56 ILE HA H 1 3.465 0.030 . 1 . . . A 56 ILE HA . 11487 1 595 . 1 1 56 56 ILE HB H 1 2.049 0.030 . 1 . . . A 56 ILE HB . 11487 1 596 . 1 1 56 56 ILE HG12 H 1 2.330 0.030 . 2 . . . A 56 ILE HG12 . 11487 1 597 . 1 1 56 56 ILE HG13 H 1 1.575 0.030 . 2 . . . A 56 ILE HG13 . 11487 1 598 . 1 1 56 56 ILE HG21 H 1 1.082 0.030 . 1 . . . A 56 ILE HG21 . 11487 1 599 . 1 1 56 56 ILE HG22 H 1 1.082 0.030 . 1 . . . A 56 ILE HG22 . 11487 1 600 . 1 1 56 56 ILE HG23 H 1 1.082 0.030 . 1 . . . A 56 ILE HG23 . 11487 1 601 . 1 1 56 56 ILE HD11 H 1 1.232 0.030 . 1 . . . A 56 ILE HD11 . 11487 1 602 . 1 1 56 56 ILE HD12 H 1 1.232 0.030 . 1 . . . A 56 ILE HD12 . 11487 1 603 . 1 1 56 56 ILE HD13 H 1 1.232 0.030 . 1 . . . A 56 ILE HD13 . 11487 1 604 . 1 1 56 56 ILE C C 13 178.426 0.300 . 1 . . . A 56 ILE C . 11487 1 605 . 1 1 56 56 ILE CA C 13 66.699 0.300 . 1 . . . A 56 ILE CA . 11487 1 606 . 1 1 56 56 ILE CB C 13 38.409 0.300 . 1 . . . A 56 ILE CB . 11487 1 607 . 1 1 56 56 ILE CG1 C 13 31.172 0.300 . 1 . . . A 56 ILE CG1 . 11487 1 608 . 1 1 56 56 ILE CG2 C 13 17.963 0.300 . 1 . . . A 56 ILE CG2 . 11487 1 609 . 1 1 56 56 ILE CD1 C 13 14.430 0.300 . 1 . . . A 56 ILE CD1 . 11487 1 610 . 1 1 56 56 ILE N N 15 118.844 0.300 . 1 . . . A 56 ILE N . 11487 1 611 . 1 1 57 57 GLU H H 1 7.896 0.030 . 1 . . . A 57 GLU H . 11487 1 612 . 1 1 57 57 GLU HA H 1 3.893 0.030 . 1 . . . A 57 GLU HA . 11487 1 613 . 1 1 57 57 GLU HB2 H 1 2.128 0.030 . 2 . . . A 57 GLU HB2 . 11487 1 614 . 1 1 57 57 GLU HB3 H 1 2.019 0.030 . 2 . . . A 57 GLU HB3 . 11487 1 615 . 1 1 57 57 GLU HG2 H 1 2.431 0.030 . 2 . . . A 57 GLU HG2 . 11487 1 616 . 1 1 57 57 GLU HG3 H 1 2.260 0.030 . 2 . . . A 57 GLU HG3 . 11487 1 617 . 1 1 57 57 GLU C C 13 177.802 0.300 . 1 . . . A 57 GLU C . 11487 1 618 . 1 1 57 57 GLU CA C 13 59.001 0.300 . 1 . . . A 57 GLU CA . 11487 1 619 . 1 1 57 57 GLU CB C 13 29.725 0.300 . 1 . . . A 57 GLU CB . 11487 1 620 . 1 1 57 57 GLU CG C 13 36.457 0.300 . 1 . . . A 57 GLU CG . 11487 1 621 . 1 1 57 57 GLU N N 15 117.705 0.300 . 1 . . . A 57 GLU N . 11487 1 622 . 1 1 58 58 ARG H H 1 8.092 0.030 . 1 . . . A 58 ARG H . 11487 1 623 . 1 1 58 58 ARG HA H 1 4.087 0.030 . 1 . . . A 58 ARG HA . 11487 1 624 . 1 1 58 58 ARG HB2 H 1 1.820 0.030 . 2 . . . A 58 ARG HB2 . 11487 1 625 . 1 1 58 58 ARG HB3 H 1 1.734 0.030 . 2 . . . A 58 ARG HB3 . 11487 1 626 . 1 1 58 58 ARG HG2 H 1 1.551 0.030 . 2 . . . A 58 ARG HG2 . 11487 1 627 . 1 1 58 58 ARG HG3 H 1 1.777 0.030 . 2 . . . A 58 ARG HG3 . 11487 1 628 . 1 1 58 58 ARG HD2 H 1 3.087 0.030 . 1 . . . A 58 ARG HD2 . 11487 1 629 . 1 1 58 58 ARG HD3 H 1 3.087 0.030 . 1 . . . A 58 ARG HD3 . 11487 1 630 . 1 1 58 58 ARG C C 13 178.149 0.300 . 1 . . . A 58 ARG C . 11487 1 631 . 1 1 58 58 ARG CA C 13 58.500 0.300 . 1 . . . A 58 ARG CA . 11487 1 632 . 1 1 58 58 ARG CB C 13 31.271 0.300 . 1 . . . A 58 ARG CB . 11487 1 633 . 1 1 58 58 ARG CG C 13 27.709 0.300 . 1 . . . A 58 ARG CG . 11487 1 634 . 1 1 58 58 ARG CD C 13 43.451 0.300 . 1 . . . A 58 ARG CD . 11487 1 635 . 1 1 58 58 ARG N N 15 115.708 0.300 . 1 . . . A 58 ARG N . 11487 1 636 . 1 1 59 59 VAL H H 1 8.151 0.030 . 1 . . . A 59 VAL H . 11487 1 637 . 1 1 59 59 VAL HA H 1 3.710 0.030 . 1 . . . A 59 VAL HA . 11487 1 638 . 1 1 59 59 VAL HB H 1 0.736 0.030 . 1 . . . A 59 VAL HB . 11487 1 639 . 1 1 59 59 VAL HG11 H 1 0.471 0.030 . 1 . . . A 59 VAL HG11 . 11487 1 640 . 1 1 59 59 VAL HG12 H 1 0.471 0.030 . 1 . . . A 59 VAL HG12 . 11487 1 641 . 1 1 59 59 VAL HG13 H 1 0.471 0.030 . 1 . . . A 59 VAL HG13 . 11487 1 642 . 1 1 59 59 VAL HG21 H 1 0.250 0.030 . 1 . . . A 59 VAL HG21 . 11487 1 643 . 1 1 59 59 VAL HG22 H 1 0.250 0.030 . 1 . . . A 59 VAL HG22 . 11487 1 644 . 1 1 59 59 VAL HG23 H 1 0.250 0.030 . 1 . . . A 59 VAL HG23 . 11487 1 645 . 1 1 59 59 VAL C C 13 176.387 0.300 . 1 . . . A 59 VAL C . 11487 1 646 . 1 1 59 59 VAL CA C 13 64.095 0.300 . 1 . . . A 59 VAL CA . 11487 1 647 . 1 1 59 59 VAL CB C 13 32.601 0.300 . 1 . . . A 59 VAL CB . 11487 1 648 . 1 1 59 59 VAL CG1 C 13 22.266 0.300 . 2 . . . A 59 VAL CG1 . 11487 1 649 . 1 1 59 59 VAL CG2 C 13 21.144 0.300 . 2 . . . A 59 VAL CG2 . 11487 1 650 . 1 1 59 59 VAL N N 15 115.787 0.300 . 1 . . . A 59 VAL N . 11487 1 651 . 1 1 60 60 HIS H H 1 7.343 0.030 . 1 . . . A 60 HIS H . 11487 1 652 . 1 1 60 60 HIS HA H 1 4.943 0.030 . 1 . . . A 60 HIS HA . 11487 1 653 . 1 1 60 60 HIS HB2 H 1 2.810 0.030 . 2 . . . A 60 HIS HB2 . 11487 1 654 . 1 1 60 60 HIS HB3 H 1 3.033 0.030 . 2 . . . A 60 HIS HB3 . 11487 1 655 . 1 1 60 60 HIS HD2 H 1 6.645 0.030 . 1 . . . A 60 HIS HD2 . 11487 1 656 . 1 1 60 60 HIS HE1 H 1 7.925 0.030 . 1 . . . A 60 HIS HE1 . 11487 1 657 . 1 1 60 60 HIS C C 13 174.629 0.300 . 1 . . . A 60 HIS C . 11487 1 658 . 1 1 60 60 HIS CA C 13 54.100 0.300 . 1 . . . A 60 HIS CA . 11487 1 659 . 1 1 60 60 HIS CB C 13 28.274 0.300 . 1 . . . A 60 HIS CB . 11487 1 660 . 1 1 60 60 HIS CD2 C 13 127.799 0.300 . 1 . . . A 60 HIS CD2 . 11487 1 661 . 1 1 60 60 HIS CE1 C 13 139.941 0.300 . 1 . . . A 60 HIS CE1 . 11487 1 662 . 1 1 60 60 HIS N N 15 116.322 0.300 . 1 . . . A 60 HIS N . 11487 1 663 . 1 1 61 61 LYS H H 1 7.417 0.030 . 1 . . . A 61 LYS H . 11487 1 664 . 1 1 61 61 LYS HA H 1 4.166 0.030 . 1 . . . A 61 LYS HA . 11487 1 665 . 1 1 61 61 LYS HB2 H 1 1.871 0.030 . 2 . . . A 61 LYS HB2 . 11487 1 666 . 1 1 61 61 LYS HB3 H 1 1.837 0.030 . 2 . . . A 61 LYS HB3 . 11487 1 667 . 1 1 61 61 LYS HG2 H 1 1.374 0.030 . 2 . . . A 61 LYS HG2 . 11487 1 668 . 1 1 61 61 LYS HG3 H 1 1.326 0.030 . 2 . . . A 61 LYS HG3 . 11487 1 669 . 1 1 61 61 LYS HD2 H 1 1.654 0.030 . 2 . . . A 61 LYS HD2 . 11487 1 670 . 1 1 61 61 LYS HE2 H 1 2.961 0.030 . 1 . . . A 61 LYS HE2 . 11487 1 671 . 1 1 61 61 LYS HE3 H 1 2.961 0.030 . 1 . . . A 61 LYS HE3 . 11487 1 672 . 1 1 61 61 LYS C C 13 176.750 0.300 . 1 . . . A 61 LYS C . 11487 1 673 . 1 1 61 61 LYS CA C 13 57.424 0.300 . 1 . . . A 61 LYS CA . 11487 1 674 . 1 1 61 61 LYS CB C 13 32.373 0.300 . 1 . . . A 61 LYS CB . 11487 1 675 . 1 1 61 61 LYS CG C 13 24.981 0.300 . 1 . . . A 61 LYS CG . 11487 1 676 . 1 1 61 61 LYS CD C 13 29.102 0.300 . 1 . . . A 61 LYS CD . 11487 1 677 . 1 1 61 61 LYS CE C 13 42.331 0.300 . 1 . . . A 61 LYS CE . 11487 1 678 . 1 1 61 61 LYS N N 15 118.912 0.300 . 1 . . . A 61 LYS N . 11487 1 679 . 1 1 62 62 LYS H H 1 8.024 0.030 . 1 . . . A 62 LYS H . 11487 1 680 . 1 1 62 62 LYS HA H 1 4.333 0.030 . 1 . . . A 62 LYS HA . 11487 1 681 . 1 1 62 62 LYS HB2 H 1 1.809 0.030 . 2 . . . A 62 LYS HB2 . 11487 1 682 . 1 1 62 62 LYS HB3 H 1 1.713 0.030 . 2 . . . A 62 LYS HB3 . 11487 1 683 . 1 1 62 62 LYS HG2 H 1 1.346 0.030 . 2 . . . A 62 LYS HG2 . 11487 1 684 . 1 1 62 62 LYS HE2 H 1 2.927 0.030 . 2 . . . A 62 LYS HE2 . 11487 1 685 . 1 1 62 62 LYS C C 13 176.316 0.300 . 1 . . . A 62 LYS C . 11487 1 686 . 1 1 62 62 LYS CA C 13 56.041 0.300 . 1 . . . A 62 LYS CA . 11487 1 687 . 1 1 62 62 LYS CB C 13 32.383 0.300 . 1 . . . A 62 LYS CB . 11487 1 688 . 1 1 62 62 LYS CG C 13 25.036 0.300 . 1 . . . A 62 LYS CG . 11487 1 689 . 1 1 62 62 LYS CD C 13 28.949 0.300 . 1 . . . A 62 LYS CD . 11487 1 690 . 1 1 62 62 LYS CE C 13 42.240 0.300 . 1 . . . A 62 LYS CE . 11487 1 691 . 1 1 62 62 LYS N N 15 119.187 0.300 . 1 . . . A 62 LYS N . 11487 1 692 . 1 1 63 63 ILE H H 1 7.910 0.030 . 1 . . . A 63 ILE H . 11487 1 693 . 1 1 63 63 ILE HA H 1 4.116 0.030 . 1 . . . A 63 ILE HA . 11487 1 694 . 1 1 63 63 ILE HB H 1 1.780 0.030 . 1 . . . A 63 ILE HB . 11487 1 695 . 1 1 63 63 ILE HG12 H 1 1.304 0.030 . 2 . . . A 63 ILE HG12 . 11487 1 696 . 1 1 63 63 ILE HG13 H 1 1.029 0.030 . 2 . . . A 63 ILE HG13 . 11487 1 697 . 1 1 63 63 ILE HG21 H 1 0.751 0.030 . 1 . . . A 63 ILE HG21 . 11487 1 698 . 1 1 63 63 ILE HG22 H 1 0.751 0.030 . 1 . . . A 63 ILE HG22 . 11487 1 699 . 1 1 63 63 ILE HG23 H 1 0.751 0.030 . 1 . . . A 63 ILE HG23 . 11487 1 700 . 1 1 63 63 ILE HD11 H 1 0.676 0.030 . 1 . . . A 63 ILE HD11 . 11487 1 701 . 1 1 63 63 ILE HD12 H 1 0.676 0.030 . 1 . . . A 63 ILE HD12 . 11487 1 702 . 1 1 63 63 ILE HD13 H 1 0.676 0.030 . 1 . . . A 63 ILE HD13 . 11487 1 703 . 1 1 63 63 ILE C C 13 176.088 0.300 . 1 . . . A 63 ILE C . 11487 1 704 . 1 1 63 63 ILE CA C 13 60.932 0.300 . 1 . . . A 63 ILE CA . 11487 1 705 . 1 1 63 63 ILE CB C 13 38.850 0.300 . 1 . . . A 63 ILE CB . 11487 1 706 . 1 1 63 63 ILE CG1 C 13 27.110 0.300 . 1 . . . A 63 ILE CG1 . 11487 1 707 . 1 1 63 63 ILE CG2 C 13 17.602 0.300 . 1 . . . A 63 ILE CG2 . 11487 1 708 . 1 1 63 63 ILE CD1 C 13 12.886 0.300 . 1 . . . A 63 ILE CD1 . 11487 1 709 . 1 1 63 63 ILE N N 15 121.003 0.300 . 1 . . . A 63 ILE N . 11487 1 710 . 1 1 64 64 LYS H H 1 8.291 0.030 . 1 . . . A 64 LYS H . 11487 1 711 . 1 1 64 64 LYS HA H 1 4.389 0.030 . 1 . . . A 64 LYS HA . 11487 1 712 . 1 1 64 64 LYS HB2 H 1 1.689 0.030 . 1 . . . A 64 LYS HB2 . 11487 1 713 . 1 1 64 64 LYS HB3 H 1 1.689 0.030 . 1 . . . A 64 LYS HB3 . 11487 1 714 . 1 1 64 64 LYS HG2 H 1 1.346 0.030 . 2 . . . A 64 LYS HG2 . 11487 1 715 . 1 1 64 64 LYS HG3 H 1 1.442 0.030 . 2 . . . A 64 LYS HG3 . 11487 1 716 . 1 1 64 64 LYS HE2 H 1 2.932 0.030 . 2 . . . A 64 LYS HE2 . 11487 1 717 . 1 1 64 64 LYS C C 13 175.965 0.300 . 1 . . . A 64 LYS C . 11487 1 718 . 1 1 64 64 LYS CA C 13 56.107 0.300 . 1 . . . A 64 LYS CA . 11487 1 719 . 1 1 64 64 LYS CB C 13 33.336 0.300 . 1 . . . A 64 LYS CB . 11487 1 720 . 1 1 64 64 LYS CG C 13 25.128 0.300 . 1 . . . A 64 LYS CG . 11487 1 721 . 1 1 64 64 LYS N N 15 124.402 0.300 . 1 . . . A 64 LYS N . 11487 1 722 . 1 1 65 65 GLN HA H 1 4.482 0.030 . 1 . . . A 65 GLN HA . 11487 1 723 . 1 1 65 65 GLN HB2 H 1 1.840 0.030 . 2 . . . A 65 GLN HB2 . 11487 1 724 . 1 1 65 65 GLN HB3 H 1 2.202 0.030 . 2 . . . A 65 GLN HB3 . 11487 1 725 . 1 1 65 65 GLN HG2 H 1 2.122 0.030 . 2 . . . A 65 GLN HG2 . 11487 1 726 . 1 1 65 65 GLN HG3 H 1 2.308 0.030 . 2 . . . A 65 GLN HG3 . 11487 1 727 . 1 1 65 65 GLN HE21 H 1 7.441 0.030 . 2 . . . A 65 GLN HE21 . 11487 1 728 . 1 1 65 65 GLN HE22 H 1 6.719 0.030 . 2 . . . A 65 GLN HE22 . 11487 1 729 . 1 1 65 65 GLN C C 13 174.697 0.300 . 1 . . . A 65 GLN C . 11487 1 730 . 1 1 65 65 GLN CA C 13 54.916 0.300 . 1 . . . A 65 GLN CA . 11487 1 731 . 1 1 65 65 GLN CB C 13 30.142 0.300 . 1 . . . A 65 GLN CB . 11487 1 732 . 1 1 65 65 GLN CG C 13 33.610 0.300 . 1 . . . A 65 GLN CG . 11487 1 733 . 1 1 65 65 GLN NE2 N 15 111.606 0.300 . 1 . . . A 65 GLN NE2 . 11487 1 734 . 1 1 66 66 HIS H H 1 8.269 0.030 . 1 . . . A 66 HIS H . 11487 1 735 . 1 1 66 66 HIS HA H 1 5.128 0.030 . 1 . . . A 66 HIS HA . 11487 1 736 . 1 1 66 66 HIS HB2 H 1 2.851 0.030 . 1 . . . A 66 HIS HB2 . 11487 1 737 . 1 1 66 66 HIS HB3 H 1 2.851 0.030 . 1 . . . A 66 HIS HB3 . 11487 1 738 . 1 1 66 66 HIS HD2 H 1 6.769 0.030 . 1 . . . A 66 HIS HD2 . 11487 1 739 . 1 1 66 66 HIS HE1 H 1 7.699 0.030 . 1 . . . A 66 HIS HE1 . 11487 1 740 . 1 1 66 66 HIS C C 13 174.465 0.300 . 1 . . . A 66 HIS C . 11487 1 741 . 1 1 66 66 HIS CA C 13 54.966 0.300 . 1 . . . A 66 HIS CA . 11487 1 742 . 1 1 66 66 HIS CB C 13 32.426 0.300 . 1 . . . A 66 HIS CB . 11487 1 743 . 1 1 66 66 HIS CD2 C 13 121.878 0.300 . 1 . . . A 66 HIS CD2 . 11487 1 744 . 1 1 66 66 HIS CE1 C 13 138.254 0.300 . 1 . . . A 66 HIS CE1 . 11487 1 745 . 1 1 66 66 HIS N N 15 119.250 0.300 . 1 . . . A 66 HIS N . 11487 1 746 . 1 1 67 67 CYS H H 1 8.984 0.030 . 1 . . . A 67 CYS H . 11487 1 747 . 1 1 67 67 CYS HA H 1 4.443 0.030 . 1 . . . A 67 CYS HA . 11487 1 748 . 1 1 67 67 CYS HB2 H 1 2.886 0.030 . 2 . . . A 67 CYS HB2 . 11487 1 749 . 1 1 67 67 CYS HB3 H 1 3.397 0.030 . 2 . . . A 67 CYS HB3 . 11487 1 750 . 1 1 67 67 CYS C C 13 177.552 0.300 . 1 . . . A 67 CYS C . 11487 1 751 . 1 1 67 67 CYS CA C 13 60.073 0.300 . 1 . . . A 67 CYS CA . 11487 1 752 . 1 1 67 67 CYS CB C 13 29.872 0.300 . 1 . . . A 67 CYS CB . 11487 1 753 . 1 1 67 67 CYS N N 15 124.439 0.300 . 1 . . . A 67 CYS N . 11487 1 754 . 1 1 68 68 ARG H H 1 8.901 0.030 . 1 . . . A 68 ARG H . 11487 1 755 . 1 1 68 68 ARG HA H 1 4.159 0.030 . 1 . . . A 68 ARG HA . 11487 1 756 . 1 1 68 68 ARG HB2 H 1 1.589 0.030 . 2 . . . A 68 ARG HB2 . 11487 1 757 . 1 1 68 68 ARG HB3 H 1 1.541 0.030 . 2 . . . A 68 ARG HB3 . 11487 1 758 . 1 1 68 68 ARG HG2 H 1 0.594 0.030 . 2 . . . A 68 ARG HG2 . 11487 1 759 . 1 1 68 68 ARG HG3 H 1 1.231 0.030 . 2 . . . A 68 ARG HG3 . 11487 1 760 . 1 1 68 68 ARG HD2 H 1 2.930 0.030 . 2 . . . A 68 ARG HD2 . 11487 1 761 . 1 1 68 68 ARG HD3 H 1 2.863 0.030 . 2 . . . A 68 ARG HD3 . 11487 1 762 . 1 1 68 68 ARG C C 13 176.120 0.300 . 1 . . . A 68 ARG C . 11487 1 763 . 1 1 68 68 ARG CA C 13 57.852 0.300 . 1 . . . A 68 ARG CA . 11487 1 764 . 1 1 68 68 ARG CB C 13 29.362 0.300 . 1 . . . A 68 ARG CB . 11487 1 765 . 1 1 68 68 ARG CG C 13 26.069 0.300 . 1 . . . A 68 ARG CG . 11487 1 766 . 1 1 68 68 ARG CD C 13 43.339 0.300 . 1 . . . A 68 ARG CD . 11487 1 767 . 1 1 68 68 ARG N N 15 129.547 0.300 . 1 . . . A 68 ARG N . 11487 1 768 . 1 1 69 69 PHE H H 1 9.133 0.030 . 1 . . . A 69 PHE H . 11487 1 769 . 1 1 69 69 PHE HA H 1 4.440 0.030 . 1 . . . A 69 PHE HA . 11487 1 770 . 1 1 69 69 PHE HB2 H 1 1.649 0.030 . 2 . . . A 69 PHE HB2 . 11487 1 771 . 1 1 69 69 PHE HB3 H 1 2.524 0.030 . 2 . . . A 69 PHE HB3 . 11487 1 772 . 1 1 69 69 PHE HD1 H 1 7.093 0.030 . 1 . . . A 69 PHE HD1 . 11487 1 773 . 1 1 69 69 PHE HD2 H 1 7.093 0.030 . 1 . . . A 69 PHE HD2 . 11487 1 774 . 1 1 69 69 PHE HE1 H 1 7.300 0.030 . 1 . . . A 69 PHE HE1 . 11487 1 775 . 1 1 69 69 PHE HE2 H 1 7.300 0.030 . 1 . . . A 69 PHE HE2 . 11487 1 776 . 1 1 69 69 PHE HZ H 1 7.296 0.030 . 1 . . . A 69 PHE HZ . 11487 1 777 . 1 1 69 69 PHE C C 13 176.473 0.300 . 1 . . . A 69 PHE C . 11487 1 778 . 1 1 69 69 PHE CA C 13 59.683 0.300 . 1 . . . A 69 PHE CA . 11487 1 779 . 1 1 69 69 PHE CB C 13 37.964 0.300 . 1 . . . A 69 PHE CB . 11487 1 780 . 1 1 69 69 PHE CD1 C 13 131.680 0.300 . 1 . . . A 69 PHE CD1 . 11487 1 781 . 1 1 69 69 PHE CD2 C 13 131.680 0.300 . 1 . . . A 69 PHE CD2 . 11487 1 782 . 1 1 69 69 PHE CE1 C 13 131.271 0.300 . 1 . . . A 69 PHE CE1 . 11487 1 783 . 1 1 69 69 PHE CE2 C 13 131.271 0.300 . 1 . . . A 69 PHE CE2 . 11487 1 784 . 1 1 69 69 PHE CZ C 13 129.824 0.300 . 1 . . . A 69 PHE CZ . 11487 1 785 . 1 1 69 69 PHE N N 15 121.051 0.300 . 1 . . . A 69 PHE N . 11487 1 786 . 1 1 70 70 CYS H H 1 8.328 0.030 . 1 . . . A 70 CYS H . 11487 1 787 . 1 1 70 70 CYS HA H 1 5.171 0.030 . 1 . . . A 70 CYS HA . 11487 1 788 . 1 1 70 70 CYS HB2 H 1 3.071 0.030 . 2 . . . A 70 CYS HB2 . 11487 1 789 . 1 1 70 70 CYS HB3 H 1 3.496 0.030 . 2 . . . A 70 CYS HB3 . 11487 1 790 . 1 1 70 70 CYS C C 13 175.139 0.300 . 1 . . . A 70 CYS C . 11487 1 791 . 1 1 70 70 CYS CA C 13 58.875 0.300 . 1 . . . A 70 CYS CA . 11487 1 792 . 1 1 70 70 CYS CB C 13 31.647 0.300 . 1 . . . A 70 CYS CB . 11487 1 793 . 1 1 70 70 CYS N N 15 117.857 0.300 . 1 . . . A 70 CYS N . 11487 1 794 . 1 1 71 71 LYS H H 1 8.267 0.030 . 1 . . . A 71 LYS H . 11487 1 795 . 1 1 71 71 LYS HA H 1 4.219 0.030 . 1 . . . A 71 LYS HA . 11487 1 796 . 1 1 71 71 LYS HB2 H 1 2.018 0.030 . 2 . . . A 71 LYS HB2 . 11487 1 797 . 1 1 71 71 LYS HB3 H 1 2.165 0.030 . 2 . . . A 71 LYS HB3 . 11487 1 798 . 1 1 71 71 LYS HG2 H 1 1.377 0.030 . 2 . . . A 71 LYS HG2 . 11487 1 799 . 1 1 71 71 LYS HG3 H 1 1.286 0.030 . 2 . . . A 71 LYS HG3 . 11487 1 800 . 1 1 71 71 LYS HD2 H 1 1.634 0.030 . 2 . . . A 71 LYS HD2 . 11487 1 801 . 1 1 71 71 LYS HD3 H 1 1.565 0.030 . 2 . . . A 71 LYS HD3 . 11487 1 802 . 1 1 71 71 LYS HE2 H 1 2.911 0.030 . 2 . . . A 71 LYS HE2 . 11487 1 803 . 1 1 71 71 LYS C C 13 175.896 0.300 . 1 . . . A 71 LYS C . 11487 1 804 . 1 1 71 71 LYS CA C 13 58.198 0.300 . 1 . . . A 71 LYS CA . 11487 1 805 . 1 1 71 71 LYS CB C 13 29.820 0.300 . 1 . . . A 71 LYS CB . 11487 1 806 . 1 1 71 71 LYS CG C 13 25.370 0.300 . 1 . . . A 71 LYS CG . 11487 1 807 . 1 1 71 71 LYS CD C 13 28.840 0.300 . 1 . . . A 71 LYS CD . 11487 1 808 . 1 1 71 71 LYS CE C 13 42.334 0.300 . 1 . . . A 71 LYS CE . 11487 1 809 . 1 1 71 71 LYS N N 15 116.784 0.300 . 1 . . . A 71 LYS N . 11487 1 810 . 1 1 72 72 LYS H H 1 8.143 0.030 . 1 . . . A 72 LYS H . 11487 1 811 . 1 1 72 72 LYS HA H 1 4.089 0.030 . 1 . . . A 72 LYS HA . 11487 1 812 . 1 1 72 72 LYS HB2 H 1 1.400 0.030 . 2 . . . A 72 LYS HB2 . 11487 1 813 . 1 1 72 72 LYS HB3 H 1 1.643 0.030 . 2 . . . A 72 LYS HB3 . 11487 1 814 . 1 1 72 72 LYS HG2 H 1 1.219 0.030 . 2 . . . A 72 LYS HG2 . 11487 1 815 . 1 1 72 72 LYS HG3 H 1 1.530 0.030 . 2 . . . A 72 LYS HG3 . 11487 1 816 . 1 1 72 72 LYS HD2 H 1 1.528 0.030 . 2 . . . A 72 LYS HD2 . 11487 1 817 . 1 1 72 72 LYS HD3 H 1 1.502 0.030 . 2 . . . A 72 LYS HD3 . 11487 1 818 . 1 1 72 72 LYS HE2 H 1 2.900 0.030 . 1 . . . A 72 LYS HE2 . 11487 1 819 . 1 1 72 72 LYS HE3 H 1 2.900 0.030 . 1 . . . A 72 LYS HE3 . 11487 1 820 . 1 1 72 72 LYS C C 13 175.308 0.300 . 1 . . . A 72 LYS C . 11487 1 821 . 1 1 72 72 LYS CA C 13 58.474 0.300 . 1 . . . A 72 LYS CA . 11487 1 822 . 1 1 72 72 LYS CB C 13 34.093 0.300 . 1 . . . A 72 LYS CB . 11487 1 823 . 1 1 72 72 LYS CG C 13 26.365 0.300 . 1 . . . A 72 LYS CG . 11487 1 824 . 1 1 72 72 LYS CD C 13 29.255 0.300 . 1 . . . A 72 LYS CD . 11487 1 825 . 1 1 72 72 LYS CE C 13 42.238 0.300 . 1 . . . A 72 LYS CE . 11487 1 826 . 1 1 72 72 LYS N N 15 123.003 0.300 . 1 . . . A 72 LYS N . 11487 1 827 . 1 1 73 73 LYS H H 1 8.033 0.030 . 1 . . . A 73 LYS H . 11487 1 828 . 1 1 73 73 LYS HA H 1 4.634 0.030 . 1 . . . A 73 LYS HA . 11487 1 829 . 1 1 73 73 LYS HB2 H 1 1.463 0.030 . 2 . . . A 73 LYS HB2 . 11487 1 830 . 1 1 73 73 LYS HB3 H 1 1.421 0.030 . 2 . . . A 73 LYS HB3 . 11487 1 831 . 1 1 73 73 LYS HG2 H 1 1.193 0.030 . 2 . . . A 73 LYS HG2 . 11487 1 832 . 1 1 73 73 LYS HG3 H 1 1.048 0.030 . 2 . . . A 73 LYS HG3 . 11487 1 833 . 1 1 73 73 LYS HD2 H 1 1.499 0.030 . 1 . . . A 73 LYS HD2 . 11487 1 834 . 1 1 73 73 LYS HD3 H 1 1.499 0.030 . 1 . . . A 73 LYS HD3 . 11487 1 835 . 1 1 73 73 LYS HE2 H 1 2.855 0.030 . 1 . . . A 73 LYS HE2 . 11487 1 836 . 1 1 73 73 LYS HE3 H 1 2.855 0.030 . 1 . . . A 73 LYS HE3 . 11487 1 837 . 1 1 73 73 LYS C C 13 175.480 0.300 . 1 . . . A 73 LYS C . 11487 1 838 . 1 1 73 73 LYS CA C 13 55.759 0.300 . 1 . . . A 73 LYS CA . 11487 1 839 . 1 1 73 73 LYS CB C 13 34.805 0.300 . 1 . . . A 73 LYS CB . 11487 1 840 . 1 1 73 73 LYS CG C 13 24.940 0.300 . 1 . . . A 73 LYS CG . 11487 1 841 . 1 1 73 73 LYS CD C 13 29.443 0.300 . 1 . . . A 73 LYS CD . 11487 1 842 . 1 1 73 73 LYS CE C 13 41.983 0.300 . 1 . . . A 73 LYS CE . 11487 1 843 . 1 1 73 73 LYS N N 15 121.443 0.300 . 1 . . . A 73 LYS N . 11487 1 844 . 1 1 74 74 TYR H H 1 8.498 0.030 . 1 . . . A 74 TYR H . 11487 1 845 . 1 1 74 74 TYR HA H 1 4.513 0.030 . 1 . . . A 74 TYR HA . 11487 1 846 . 1 1 74 74 TYR HB2 H 1 3.075 0.030 . 2 . . . A 74 TYR HB2 . 11487 1 847 . 1 1 74 74 TYR HB3 H 1 2.450 0.030 . 2 . . . A 74 TYR HB3 . 11487 1 848 . 1 1 74 74 TYR HD1 H 1 6.990 0.030 . 1 . . . A 74 TYR HD1 . 11487 1 849 . 1 1 74 74 TYR HD2 H 1 6.990 0.030 . 1 . . . A 74 TYR HD2 . 11487 1 850 . 1 1 74 74 TYR HE1 H 1 6.239 0.030 . 1 . . . A 74 TYR HE1 . 11487 1 851 . 1 1 74 74 TYR HE2 H 1 6.239 0.030 . 1 . . . A 74 TYR HE2 . 11487 1 852 . 1 1 74 74 TYR C C 13 175.007 0.300 . 1 . . . A 74 TYR C . 11487 1 853 . 1 1 74 74 TYR CA C 13 58.266 0.300 . 1 . . . A 74 TYR CA . 11487 1 854 . 1 1 74 74 TYR CB C 13 43.493 0.300 . 1 . . . A 74 TYR CB . 11487 1 855 . 1 1 74 74 TYR CD1 C 13 132.812 0.300 . 1 . . . A 74 TYR CD1 . 11487 1 856 . 1 1 74 74 TYR CD2 C 13 132.812 0.300 . 1 . . . A 74 TYR CD2 . 11487 1 857 . 1 1 74 74 TYR CE1 C 13 117.586 0.300 . 1 . . . A 74 TYR CE1 . 11487 1 858 . 1 1 74 74 TYR CE2 C 13 117.586 0.300 . 1 . . . A 74 TYR CE2 . 11487 1 859 . 1 1 74 74 TYR N N 15 120.120 0.300 . 1 . . . A 74 TYR N . 11487 1 860 . 1 1 75 75 SER HA H 1 4.443 0.030 . 1 . . . A 75 SER HA . 11487 1 861 . 1 1 75 75 SER HB2 H 1 3.967 0.030 . 2 . . . A 75 SER HB2 . 11487 1 862 . 1 1 75 75 SER HB3 H 1 3.881 0.030 . 2 . . . A 75 SER HB3 . 11487 1 863 . 1 1 75 75 SER C C 13 173.399 0.300 . 1 . . . A 75 SER C . 11487 1 864 . 1 1 75 75 SER CA C 13 59.902 0.300 . 1 . . . A 75 SER CA . 11487 1 865 . 1 1 75 75 SER CB C 13 63.769 0.300 . 1 . . . A 75 SER CB . 11487 1 866 . 1 1 76 76 ASP H H 1 7.781 0.030 . 1 . . . A 76 ASP H . 11487 1 867 . 1 1 76 76 ASP HA H 1 4.951 0.030 . 1 . . . A 76 ASP HA . 11487 1 868 . 1 1 76 76 ASP HB2 H 1 2.739 0.030 . 2 . . . A 76 ASP HB2 . 11487 1 869 . 1 1 76 76 ASP HB3 H 1 2.945 0.030 . 2 . . . A 76 ASP HB3 . 11487 1 870 . 1 1 76 76 ASP C C 13 176.507 0.300 . 1 . . . A 76 ASP C . 11487 1 871 . 1 1 76 76 ASP CA C 13 52.826 0.300 . 1 . . . A 76 ASP CA . 11487 1 872 . 1 1 76 76 ASP CB C 13 43.456 0.300 . 1 . . . A 76 ASP CB . 11487 1 873 . 1 1 76 76 ASP N N 15 119.568 0.300 . 1 . . . A 76 ASP N . 11487 1 874 . 1 1 77 77 VAL H H 1 8.860 0.030 . 1 . . . A 77 VAL H . 11487 1 875 . 1 1 77 77 VAL HA H 1 3.773 0.030 . 1 . . . A 77 VAL HA . 11487 1 876 . 1 1 77 77 VAL HB H 1 2.138 0.030 . 1 . . . A 77 VAL HB . 11487 1 877 . 1 1 77 77 VAL HG11 H 1 0.993 0.030 . 1 . . . A 77 VAL HG11 . 11487 1 878 . 1 1 77 77 VAL HG12 H 1 0.993 0.030 . 1 . . . A 77 VAL HG12 . 11487 1 879 . 1 1 77 77 VAL HG13 H 1 0.993 0.030 . 1 . . . A 77 VAL HG13 . 11487 1 880 . 1 1 77 77 VAL HG21 H 1 1.065 0.030 . 1 . . . A 77 VAL HG21 . 11487 1 881 . 1 1 77 77 VAL HG22 H 1 1.065 0.030 . 1 . . . A 77 VAL HG22 . 11487 1 882 . 1 1 77 77 VAL HG23 H 1 1.065 0.030 . 1 . . . A 77 VAL HG23 . 11487 1 883 . 1 1 77 77 VAL C C 13 176.567 0.300 . 1 . . . A 77 VAL C . 11487 1 884 . 1 1 77 77 VAL CA C 13 65.560 0.300 . 1 . . . A 77 VAL CA . 11487 1 885 . 1 1 77 77 VAL CB C 13 31.996 0.300 . 1 . . . A 77 VAL CB . 11487 1 886 . 1 1 77 77 VAL CG1 C 13 20.667 0.300 . 2 . . . A 77 VAL CG1 . 11487 1 887 . 1 1 77 77 VAL CG2 C 13 22.280 0.300 . 2 . . . A 77 VAL CG2 . 11487 1 888 . 1 1 77 77 VAL N N 15 125.505 0.300 . 1 . . . A 77 VAL N . 11487 1 889 . 1 1 78 78 LYS H H 1 8.423 0.030 . 1 . . . A 78 LYS H . 11487 1 890 . 1 1 78 78 LYS HA H 1 3.974 0.030 . 1 . . . A 78 LYS HA . 11487 1 891 . 1 1 78 78 LYS HB2 H 1 1.890 0.030 . 2 . . . A 78 LYS HB2 . 11487 1 892 . 1 1 78 78 LYS HB3 H 1 1.761 0.030 . 2 . . . A 78 LYS HB3 . 11487 1 893 . 1 1 78 78 LYS HG2 H 1 1.385 0.030 . 2 . . . A 78 LYS HG2 . 11487 1 894 . 1 1 78 78 LYS HG3 H 1 1.531 0.030 . 2 . . . A 78 LYS HG3 . 11487 1 895 . 1 1 78 78 LYS HE2 H 1 3.006 0.030 . 1 . . . A 78 LYS HE2 . 11487 1 896 . 1 1 78 78 LYS HE3 H 1 3.006 0.030 . 1 . . . A 78 LYS HE3 . 11487 1 897 . 1 1 78 78 LYS C C 13 180.020 0.300 . 1 . . . A 78 LYS C . 11487 1 898 . 1 1 78 78 LYS CA C 13 59.997 0.300 . 1 . . . A 78 LYS CA . 11487 1 899 . 1 1 78 78 LYS CB C 13 31.634 0.300 . 1 . . . A 78 LYS CB . 11487 1 900 . 1 1 78 78 LYS CG C 13 25.205 0.300 . 1 . . . A 78 LYS CG . 11487 1 901 . 1 1 78 78 LYS CD C 13 29.107 0.300 . 1 . . . A 78 LYS CD . 11487 1 902 . 1 1 78 78 LYS CE C 13 41.970 0.300 . 1 . . . A 78 LYS CE . 11487 1 903 . 1 1 78 78 LYS N N 15 120.827 0.300 . 1 . . . A 78 LYS N . 11487 1 904 . 1 1 79 79 ASN H H 1 8.003 0.030 . 1 . . . A 79 ASN H . 11487 1 905 . 1 1 79 79 ASN HA H 1 4.510 0.030 . 1 . . . A 79 ASN HA . 11487 1 906 . 1 1 79 79 ASN HB2 H 1 2.780 0.030 . 2 . . . A 79 ASN HB2 . 11487 1 907 . 1 1 79 79 ASN HB3 H 1 3.054 0.030 . 2 . . . A 79 ASN HB3 . 11487 1 908 . 1 1 79 79 ASN HD21 H 1 8.332 0.030 . 2 . . . A 79 ASN HD21 . 11487 1 909 . 1 1 79 79 ASN HD22 H 1 7.180 0.030 . 2 . . . A 79 ASN HD22 . 11487 1 910 . 1 1 79 79 ASN C C 13 177.505 0.300 . 1 . . . A 79 ASN C . 11487 1 911 . 1 1 79 79 ASN CA C 13 55.330 0.300 . 1 . . . A 79 ASN CA . 11487 1 912 . 1 1 79 79 ASN CB C 13 38.313 0.300 . 1 . . . A 79 ASN CB . 11487 1 913 . 1 1 79 79 ASN N N 15 117.382 0.300 . 1 . . . A 79 ASN N . 11487 1 914 . 1 1 79 79 ASN ND2 N 15 114.894 0.300 . 1 . . . A 79 ASN ND2 . 11487 1 915 . 1 1 80 80 LEU H H 1 7.455 0.030 . 1 . . . A 80 LEU H . 11487 1 916 . 1 1 80 80 LEU HA H 1 3.430 0.030 . 1 . . . A 80 LEU HA . 11487 1 917 . 1 1 80 80 LEU HB2 H 1 1.272 0.030 . 2 . . . A 80 LEU HB2 . 11487 1 918 . 1 1 80 80 LEU HB3 H 1 2.150 0.030 . 2 . . . A 80 LEU HB3 . 11487 1 919 . 1 1 80 80 LEU HG H 1 1.592 0.030 . 1 . . . A 80 LEU HG . 11487 1 920 . 1 1 80 80 LEU HD11 H 1 0.944 0.030 . 1 . . . A 80 LEU HD11 . 11487 1 921 . 1 1 80 80 LEU HD12 H 1 0.944 0.030 . 1 . . . A 80 LEU HD12 . 11487 1 922 . 1 1 80 80 LEU HD13 H 1 0.944 0.030 . 1 . . . A 80 LEU HD13 . 11487 1 923 . 1 1 80 80 LEU HD21 H 1 0.986 0.030 . 1 . . . A 80 LEU HD21 . 11487 1 924 . 1 1 80 80 LEU HD22 H 1 0.986 0.030 . 1 . . . A 80 LEU HD22 . 11487 1 925 . 1 1 80 80 LEU HD23 H 1 0.986 0.030 . 1 . . . A 80 LEU HD23 . 11487 1 926 . 1 1 80 80 LEU C C 13 177.324 0.300 . 1 . . . A 80 LEU C . 11487 1 927 . 1 1 80 80 LEU CA C 13 58.194 0.300 . 1 . . . A 80 LEU CA . 11487 1 928 . 1 1 80 80 LEU CB C 13 40.974 0.300 . 1 . . . A 80 LEU CB . 11487 1 929 . 1 1 80 80 LEU CG C 13 27.347 0.300 . 1 . . . A 80 LEU CG . 11487 1 930 . 1 1 80 80 LEU CD1 C 13 26.379 0.300 . 2 . . . A 80 LEU CD1 . 11487 1 931 . 1 1 80 80 LEU CD2 C 13 22.589 0.300 . 2 . . . A 80 LEU CD2 . 11487 1 932 . 1 1 80 80 LEU N N 15 123.980 0.300 . 1 . . . A 80 LEU N . 11487 1 933 . 1 1 81 81 ILE H H 1 8.434 0.030 . 1 . . . A 81 ILE H . 11487 1 934 . 1 1 81 81 ILE HA H 1 3.638 0.030 . 1 . . . A 81 ILE HA . 11487 1 935 . 1 1 81 81 ILE HB H 1 1.871 0.030 . 1 . . . A 81 ILE HB . 11487 1 936 . 1 1 81 81 ILE HG12 H 1 1.689 0.030 . 2 . . . A 81 ILE HG12 . 11487 1 937 . 1 1 81 81 ILE HG13 H 1 1.313 0.030 . 2 . . . A 81 ILE HG13 . 11487 1 938 . 1 1 81 81 ILE HG21 H 1 0.935 0.030 . 1 . . . A 81 ILE HG21 . 11487 1 939 . 1 1 81 81 ILE HG22 H 1 0.935 0.030 . 1 . . . A 81 ILE HG22 . 11487 1 940 . 1 1 81 81 ILE HG23 H 1 0.935 0.030 . 1 . . . A 81 ILE HG23 . 11487 1 941 . 1 1 81 81 ILE HD11 H 1 0.849 0.030 . 1 . . . A 81 ILE HD11 . 11487 1 942 . 1 1 81 81 ILE HD12 H 1 0.849 0.030 . 1 . . . A 81 ILE HD12 . 11487 1 943 . 1 1 81 81 ILE HD13 H 1 0.849 0.030 . 1 . . . A 81 ILE HD13 . 11487 1 944 . 1 1 81 81 ILE C C 13 178.595 0.300 . 1 . . . A 81 ILE C . 11487 1 945 . 1 1 81 81 ILE CA C 13 65.093 0.300 . 1 . . . A 81 ILE CA . 11487 1 946 . 1 1 81 81 ILE CB C 13 37.709 0.300 . 1 . . . A 81 ILE CB . 11487 1 947 . 1 1 81 81 ILE CG1 C 13 29.039 0.300 . 1 . . . A 81 ILE CG1 . 11487 1 948 . 1 1 81 81 ILE CG2 C 13 17.172 0.300 . 1 . . . A 81 ILE CG2 . 11487 1 949 . 1 1 81 81 ILE CD1 C 13 12.835 0.300 . 1 . . . A 81 ILE CD1 . 11487 1 950 . 1 1 81 81 ILE N N 15 119.087 0.300 . 1 . . . A 81 ILE N . 11487 1 951 . 1 1 82 82 LYS H H 1 7.372 0.030 . 1 . . . A 82 LYS H . 11487 1 952 . 1 1 82 82 LYS HA H 1 3.943 0.030 . 1 . . . A 82 LYS HA . 11487 1 953 . 1 1 82 82 LYS HB2 H 1 1.858 0.030 . 1 . . . A 82 LYS HB2 . 11487 1 954 . 1 1 82 82 LYS HB3 H 1 1.858 0.030 . 1 . . . A 82 LYS HB3 . 11487 1 955 . 1 1 82 82 LYS HG2 H 1 1.518 0.030 . 2 . . . A 82 LYS HG2 . 11487 1 956 . 1 1 82 82 LYS HG3 H 1 1.424 0.030 . 2 . . . A 82 LYS HG3 . 11487 1 957 . 1 1 82 82 LYS HD2 H 1 1.745 0.030 . 2 . . . A 82 LYS HD2 . 11487 1 958 . 1 1 82 82 LYS HD3 H 1 1.673 0.030 . 2 . . . A 82 LYS HD3 . 11487 1 959 . 1 1 82 82 LYS HE2 H 1 3.008 0.030 . 2 . . . A 82 LYS HE2 . 11487 1 960 . 1 1 82 82 LYS C C 13 177.283 0.300 . 1 . . . A 82 LYS C . 11487 1 961 . 1 1 82 82 LYS CA C 13 59.495 0.300 . 1 . . . A 82 LYS CA . 11487 1 962 . 1 1 82 82 LYS CB C 13 32.655 0.300 . 1 . . . A 82 LYS CB . 11487 1 963 . 1 1 82 82 LYS CG C 13 25.048 0.300 . 1 . . . A 82 LYS CG . 11487 1 964 . 1 1 82 82 LYS CD C 13 29.200 0.300 . 1 . . . A 82 LYS CD . 11487 1 965 . 1 1 82 82 LYS CE C 13 42.199 0.300 . 1 . . . A 82 LYS CE . 11487 1 966 . 1 1 82 82 LYS N N 15 119.684 0.300 . 1 . . . A 82 LYS N . 11487 1 967 . 1 1 83 83 HIS H H 1 7.621 0.030 . 1 . . . A 83 HIS H . 11487 1 968 . 1 1 83 83 HIS HA H 1 4.352 0.030 . 1 . . . A 83 HIS HA . 11487 1 969 . 1 1 83 83 HIS HB2 H 1 2.989 0.030 . 2 . . . A 83 HIS HB2 . 11487 1 970 . 1 1 83 83 HIS HB3 H 1 3.320 0.030 . 2 . . . A 83 HIS HB3 . 11487 1 971 . 1 1 83 83 HIS HD2 H 1 7.065 0.030 . 1 . . . A 83 HIS HD2 . 11487 1 972 . 1 1 83 83 HIS HE1 H 1 7.829 0.030 . 1 . . . A 83 HIS HE1 . 11487 1 973 . 1 1 83 83 HIS C C 13 176.398 0.300 . 1 . . . A 83 HIS C . 11487 1 974 . 1 1 83 83 HIS CA C 13 59.293 0.300 . 1 . . . A 83 HIS CA . 11487 1 975 . 1 1 83 83 HIS CB C 13 27.534 0.300 . 1 . . . A 83 HIS CB . 11487 1 976 . 1 1 83 83 HIS CD2 C 13 127.094 0.300 . 1 . . . A 83 HIS CD2 . 11487 1 977 . 1 1 83 83 HIS CE1 C 13 139.190 0.300 . 1 . . . A 83 HIS CE1 . 11487 1 978 . 1 1 83 83 HIS N N 15 117.811 0.300 . 1 . . . A 83 HIS N . 11487 1 979 . 1 1 84 84 ILE H H 1 8.592 0.030 . 1 . . . A 84 ILE H . 11487 1 980 . 1 1 84 84 ILE HA H 1 3.381 0.030 . 1 . . . A 84 ILE HA . 11487 1 981 . 1 1 84 84 ILE HB H 1 1.986 0.030 . 1 . . . A 84 ILE HB . 11487 1 982 . 1 1 84 84 ILE HG12 H 1 2.234 0.030 . 2 . . . A 84 ILE HG12 . 11487 1 983 . 1 1 84 84 ILE HG13 H 1 1.591 0.030 . 2 . . . A 84 ILE HG13 . 11487 1 984 . 1 1 84 84 ILE HG21 H 1 1.077 0.030 . 1 . . . A 84 ILE HG21 . 11487 1 985 . 1 1 84 84 ILE HG22 H 1 1.077 0.030 . 1 . . . A 84 ILE HG22 . 11487 1 986 . 1 1 84 84 ILE HG23 H 1 1.077 0.030 . 1 . . . A 84 ILE HG23 . 11487 1 987 . 1 1 84 84 ILE HD11 H 1 1.174 0.030 . 1 . . . A 84 ILE HD11 . 11487 1 988 . 1 1 84 84 ILE HD12 H 1 1.174 0.030 . 1 . . . A 84 ILE HD12 . 11487 1 989 . 1 1 84 84 ILE HD13 H 1 1.174 0.030 . 1 . . . A 84 ILE HD13 . 11487 1 990 . 1 1 84 84 ILE C C 13 178.404 0.300 . 1 . . . A 84 ILE C . 11487 1 991 . 1 1 84 84 ILE CA C 13 66.626 0.300 . 1 . . . A 84 ILE CA . 11487 1 992 . 1 1 84 84 ILE CB C 13 38.232 0.300 . 1 . . . A 84 ILE CB . 11487 1 993 . 1 1 84 84 ILE CG1 C 13 31.112 0.300 . 1 . . . A 84 ILE CG1 . 11487 1 994 . 1 1 84 84 ILE CG2 C 13 18.083 0.300 . 1 . . . A 84 ILE CG2 . 11487 1 995 . 1 1 84 84 ILE CD1 C 13 14.222 0.300 . 1 . . . A 84 ILE CD1 . 11487 1 996 . 1 1 84 84 ILE N N 15 119.714 0.300 . 1 . . . A 84 ILE N . 11487 1 997 . 1 1 85 85 ARG H H 1 7.700 0.030 . 1 . . . A 85 ARG H . 11487 1 998 . 1 1 85 85 ARG HA H 1 4.048 0.030 . 1 . . . A 85 ARG HA . 11487 1 999 . 1 1 85 85 ARG HB2 H 1 1.926 0.030 . 1 . . . A 85 ARG HB2 . 11487 1 1000 . 1 1 85 85 ARG HB3 H 1 1.926 0.030 . 1 . . . A 85 ARG HB3 . 11487 1 1001 . 1 1 85 85 ARG HG2 H 1 1.668 0.030 . 2 . . . A 85 ARG HG2 . 11487 1 1002 . 1 1 85 85 ARG HG3 H 1 1.777 0.030 . 2 . . . A 85 ARG HG3 . 11487 1 1003 . 1 1 85 85 ARG HD2 H 1 3.195 0.030 . 1 . . . A 85 ARG HD2 . 11487 1 1004 . 1 1 85 85 ARG HD3 H 1 3.195 0.030 . 1 . . . A 85 ARG HD3 . 11487 1 1005 . 1 1 85 85 ARG C C 13 177.765 0.300 . 1 . . . A 85 ARG C . 11487 1 1006 . 1 1 85 85 ARG CA C 13 58.628 0.300 . 1 . . . A 85 ARG CA . 11487 1 1007 . 1 1 85 85 ARG CB C 13 29.980 0.300 . 1 . . . A 85 ARG CB . 11487 1 1008 . 1 1 85 85 ARG CG C 13 27.145 0.300 . 1 . . . A 85 ARG CG . 11487 1 1009 . 1 1 85 85 ARG CD C 13 43.421 0.300 . 1 . . . A 85 ARG CD . 11487 1 1010 . 1 1 85 85 ARG N N 15 118.880 0.300 . 1 . . . A 85 ARG N . 11487 1 1011 . 1 1 86 86 ASP H H 1 8.183 0.030 . 1 . . . A 86 ASP H . 11487 1 1012 . 1 1 86 86 ASP HA H 1 4.347 0.030 . 1 . . . A 86 ASP HA . 11487 1 1013 . 1 1 86 86 ASP HB2 H 1 2.642 0.030 . 2 . . . A 86 ASP HB2 . 11487 1 1014 . 1 1 86 86 ASP HB3 H 1 2.553 0.030 . 2 . . . A 86 ASP HB3 . 11487 1 1015 . 1 1 86 86 ASP C C 13 178.014 0.300 . 1 . . . A 86 ASP C . 11487 1 1016 . 1 1 86 86 ASP CA C 13 56.459 0.300 . 1 . . . A 86 ASP CA . 11487 1 1017 . 1 1 86 86 ASP CB C 13 41.216 0.300 . 1 . . . A 86 ASP CB . 11487 1 1018 . 1 1 86 86 ASP N N 15 117.344 0.300 . 1 . . . A 86 ASP N . 11487 1 1019 . 1 1 87 87 ALA H H 1 8.501 0.030 . 1 . . . A 87 ALA H . 11487 1 1020 . 1 1 87 87 ALA HA H 1 4.186 0.030 . 1 . . . A 87 ALA HA . 11487 1 1021 . 1 1 87 87 ALA HB1 H 1 0.481 0.030 . 1 . . . A 87 ALA HB1 . 11487 1 1022 . 1 1 87 87 ALA HB2 H 1 0.481 0.030 . 1 . . . A 87 ALA HB2 . 11487 1 1023 . 1 1 87 87 ALA HB3 H 1 0.481 0.030 . 1 . . . A 87 ALA HB3 . 11487 1 1024 . 1 1 87 87 ALA C C 13 178.237 0.300 . 1 . . . A 87 ALA C . 11487 1 1025 . 1 1 87 87 ALA CA C 13 52.829 0.300 . 1 . . . A 87 ALA CA . 11487 1 1026 . 1 1 87 87 ALA CB C 13 19.737 0.300 . 1 . . . A 87 ALA CB . 11487 1 1027 . 1 1 87 87 ALA N N 15 118.595 0.300 . 1 . . . A 87 ALA N . 11487 1 1028 . 1 1 88 88 HIS H H 1 7.521 0.030 . 1 . . . A 88 HIS H . 11487 1 1029 . 1 1 88 88 HIS HA H 1 4.887 0.030 . 1 . . . A 88 HIS HA . 11487 1 1030 . 1 1 88 88 HIS HB2 H 1 2.256 0.030 . 2 . . . A 88 HIS HB2 . 11487 1 1031 . 1 1 88 88 HIS HB3 H 1 2.668 0.030 . 2 . . . A 88 HIS HB3 . 11487 1 1032 . 1 1 88 88 HIS HD2 H 1 6.572 0.030 . 1 . . . A 88 HIS HD2 . 11487 1 1033 . 1 1 88 88 HIS HE1 H 1 8.022 0.030 . 1 . . . A 88 HIS HE1 . 11487 1 1034 . 1 1 88 88 HIS C C 13 173.782 0.300 . 1 . . . A 88 HIS C . 11487 1 1035 . 1 1 88 88 HIS CA C 13 53.995 0.300 . 1 . . . A 88 HIS CA . 11487 1 1036 . 1 1 88 88 HIS CB C 13 29.927 0.300 . 1 . . . A 88 HIS CB . 11487 1 1037 . 1 1 88 88 HIS CD2 C 13 128.435 0.300 . 1 . . . A 88 HIS CD2 . 11487 1 1038 . 1 1 88 88 HIS CE1 C 13 139.610 0.300 . 1 . . . A 88 HIS CE1 . 11487 1 1039 . 1 1 88 88 HIS N N 15 113.502 0.300 . 1 . . . A 88 HIS N . 11487 1 1040 . 1 1 89 89 ASP H H 1 7.925 0.030 . 1 . . . A 89 ASP H . 11487 1 1041 . 1 1 89 89 ASP HA H 1 4.773 0.030 . 1 . . . A 89 ASP HA . 11487 1 1042 . 1 1 89 89 ASP HB2 H 1 2.708 0.030 . 2 . . . A 89 ASP HB2 . 11487 1 1043 . 1 1 89 89 ASP HB3 H 1 2.495 0.030 . 2 . . . A 89 ASP HB3 . 11487 1 1044 . 1 1 89 89 ASP C C 13 173.682 0.300 . 1 . . . A 89 ASP C . 11487 1 1045 . 1 1 89 89 ASP CA C 13 53.018 0.300 . 1 . . . A 89 ASP CA . 11487 1 1046 . 1 1 89 89 ASP CB C 13 41.056 0.300 . 1 . . . A 89 ASP CB . 11487 1 1047 . 1 1 89 89 ASP N N 15 120.206 0.300 . 1 . . . A 89 ASP N . 11487 1 1048 . 1 1 90 90 PRO HA H 1 4.407 0.030 . 1 . . . A 90 PRO HA . 11487 1 1049 . 1 1 90 90 PRO HB2 H 1 2.229 0.030 . 2 . . . A 90 PRO HB2 . 11487 1 1050 . 1 1 90 90 PRO HB3 H 1 1.993 0.030 . 2 . . . A 90 PRO HB3 . 11487 1 1051 . 1 1 90 90 PRO HG2 H 1 1.923 0.030 . 2 . . . A 90 PRO HG2 . 11487 1 1052 . 1 1 90 90 PRO HG3 H 1 2.013 0.030 . 2 . . . A 90 PRO HG3 . 11487 1 1053 . 1 1 90 90 PRO HD2 H 1 3.587 0.030 . 2 . . . A 90 PRO HD2 . 11487 1 1054 . 1 1 90 90 PRO HD3 H 1 3.650 0.030 . 2 . . . A 90 PRO HD3 . 11487 1 1055 . 1 1 90 90 PRO C C 13 177.229 0.300 . 1 . . . A 90 PRO C . 11487 1 1056 . 1 1 90 90 PRO CA C 13 63.501 0.300 . 1 . . . A 90 PRO CA . 11487 1 1057 . 1 1 90 90 PRO CB C 13 32.091 0.300 . 1 . . . A 90 PRO CB . 11487 1 1058 . 1 1 90 90 PRO CG C 13 27.427 0.300 . 1 . . . A 90 PRO CG . 11487 1 1059 . 1 1 90 90 PRO CD C 13 50.601 0.300 . 1 . . . A 90 PRO CD . 11487 1 1060 . 1 1 91 91 GLN H H 1 8.497 0.030 . 1 . . . A 91 GLN H . 11487 1 1061 . 1 1 91 91 GLN HA H 1 4.313 0.030 . 1 . . . A 91 GLN HA . 11487 1 1062 . 1 1 91 91 GLN HB2 H 1 1.945 0.030 . 2 . . . A 91 GLN HB2 . 11487 1 1063 . 1 1 91 91 GLN HB3 H 1 2.189 0.030 . 2 . . . A 91 GLN HB3 . 11487 1 1064 . 1 1 91 91 GLN HG2 H 1 2.359 0.030 . 1 . . . A 91 GLN HG2 . 11487 1 1065 . 1 1 91 91 GLN HG3 H 1 2.359 0.030 . 1 . . . A 91 GLN HG3 . 11487 1 1066 . 1 1 91 91 GLN HE21 H 1 6.778 0.030 . 2 . . . A 91 GLN HE21 . 11487 1 1067 . 1 1 91 91 GLN HE22 H 1 7.565 0.030 . 2 . . . A 91 GLN HE22 . 11487 1 1068 . 1 1 91 91 GLN C C 13 174.910 0.300 . 1 . . . A 91 GLN C . 11487 1 1069 . 1 1 91 91 GLN CA C 13 55.389 0.300 . 1 . . . A 91 GLN CA . 11487 1 1070 . 1 1 91 91 GLN CB C 13 29.792 0.300 . 1 . . . A 91 GLN CB . 11487 1 1071 . 1 1 91 91 GLN CG C 13 33.905 0.300 . 1 . . . A 91 GLN CG . 11487 1 1072 . 1 1 91 91 GLN N N 15 120.389 0.300 . 1 . . . A 91 GLN N . 11487 1 1073 . 1 1 91 91 GLN NE2 N 15 113.766 0.300 . 1 . . . A 91 GLN NE2 . 11487 1 1074 . 1 1 92 92 ASP H H 1 7.955 0.030 . 1 . . . A 92 ASP H . 11487 1 1075 . 1 1 92 92 ASP HA H 1 4.364 0.030 . 1 . . . A 92 ASP HA . 11487 1 1076 . 1 1 92 92 ASP HB2 H 1 2.646 0.030 . 2 . . . A 92 ASP HB2 . 11487 1 1077 . 1 1 92 92 ASP HB3 H 1 2.570 0.030 . 2 . . . A 92 ASP HB3 . 11487 1 1078 . 1 1 92 92 ASP C C 13 180.891 0.300 . 1 . . . A 92 ASP C . 11487 1 1079 . 1 1 92 92 ASP CA C 13 55.848 0.300 . 1 . . . A 92 ASP CA . 11487 1 1080 . 1 1 92 92 ASP CB C 13 42.295 0.300 . 1 . . . A 92 ASP CB . 11487 1 1081 . 1 1 92 92 ASP N N 15 126.893 0.300 . 1 . . . A 92 ASP N . 11487 1 stop_ save_