data_11401 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11401 _Entry.Title ; Solution structure of the phorbol esters/diacylglycerol binding domain of protein kinase C gamma ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-09-08 _Entry.Original_release_date 2011-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 W. Tanabe . . . 11401 2 S. Suzuki . . . 11401 3 Y. Muto . . . 11401 4 M. Inoue . . . 11401 5 T. Kigawa . . . 11401 6 T. Terada . . . 11401 7 M. Shirouzu . . . 11401 8 S. Yokoyama . . . 11401 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11401 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11401 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 319 11401 '15N chemical shifts' 68 11401 '1H chemical shifts' 472 11401 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-08 2010-09-09 original author . 11401 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11401 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the phorbol esters/diacylglycerol binding domain of protein kinase C gamma ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W. Tanabe . . . 11401 1 2 S. Suzuki . . . 11401 1 3 Y. Muto . . . 11401 1 4 M. Inoue . . . 11401 1 5 T. Kigawa . . . 11401 1 6 T. Terada . . . 11401 1 7 M. Shirouzu . . . 11401 1 8 S. Yokoyama . . . 11401 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11401 _Assembly.ID 1 _Assembly.Name 'Protein kinase C gamma type' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.2.7.11.13 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C1 domain, residues 36-105' 1 $entity_1 A . yes native no no . . . 11401 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11401 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11401 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 'C1 domain, residues 36-105' 1 HIS 8 8 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 8 HIS ND1 . . . . ZN 11401 1 2 coordination single . 1 'C1 domain, residues 36-105' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11401 1 3 coordination single . 1 'C1 domain, residues 36-105' 1 CYS 24 24 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 24 CYS SG . . . . ZN 11401 1 4 coordination single . 1 'C1 domain, residues 36-105' 1 CYS 38 38 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11401 1 5 coordination single . 1 'C1 domain, residues 36-105' 1 CYS 41 41 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11401 1 6 coordination single . 1 'C1 domain, residues 36-105' 1 HIS 46 46 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 46 HIS ND1 . . . . ZN 11401 1 7 coordination single . 1 'C1 domain, residues 36-105' 1 CYS 49 49 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 49 CYS SG . . . . ZN 11401 1 8 coordination single . 1 'C1 domain, residues 36-105' 1 CYS 57 57 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 57 CYS SG . . . . ZN 11401 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 49 49 HG . 49 CYS HG 11401 1 . . 1 1 CYS 57 57 HG . 57 CYS HG 11401 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11401 1 . . 1 1 HIS 46 46 HD1 . 46 HIS HD1 11401 1 . . 1 1 CYS 24 24 HG . 24 CYS HG 11401 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11401 1 . . 1 1 HIS 8 8 HD1 . 8 HIS HD1 11401 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11401 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2e73 . . . . . . 11401 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11401 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C1 domain, residues 36-105' _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 ; GSSGSSGHKFTARFFKQPTF CSHCTDFIWGIGKQGLQCQV CSFVVHRRCHEFVTFECPGA GKGPQTDDPRNKHKFRL ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2E73 . "Solution Structure Of The Phorbol EstersDIACYLGLYCEROL Binding Domain Of Protein Kinase C Gamma" . . . . . 100.00 77 100.00 100.00 5.16e-48 . . . . 11401 1 2 no REF XP_003766545 . "PREDICTED: protein kinase C gamma type [Sarcophilus harrisii]" . . . . . 90.91 681 100.00 100.00 2.94e-41 . . . . 11401 1 3 no REF XP_010615362 . "PREDICTED: protein kinase C gamma type [Fukomys damarensis]" . . . . . 77.92 753 100.00 100.00 1.15e-33 . . . . 11401 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C1 domain, residues 36-105' . 11401 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 . 11401 1 2 . SER . 11401 1 3 . SER . 11401 1 4 . GLY . 11401 1 5 . SER . 11401 1 6 . SER . 11401 1 7 . GLY . 11401 1 8 . HIS . 11401 1 9 . LYS . 11401 1 10 . PHE . 11401 1 11 . THR . 11401 1 12 . ALA . 11401 1 13 . ARG . 11401 1 14 . PHE . 11401 1 15 . PHE . 11401 1 16 . LYS . 11401 1 17 . GLN . 11401 1 18 . PRO . 11401 1 19 . THR . 11401 1 20 . PHE . 11401 1 21 . CYS . 11401 1 22 . SER . 11401 1 23 . HIS . 11401 1 24 . CYS . 11401 1 25 . THR . 11401 1 26 . ASP . 11401 1 27 . PHE . 11401 1 28 . ILE . 11401 1 29 . TRP . 11401 1 30 . GLY . 11401 1 31 . ILE . 11401 1 32 . GLY . 11401 1 33 . LYS . 11401 1 34 . GLN . 11401 1 35 . GLY . 11401 1 36 . LEU . 11401 1 37 . GLN . 11401 1 38 . CYS . 11401 1 39 . GLN . 11401 1 40 . VAL . 11401 1 41 . CYS . 11401 1 42 . SER . 11401 1 43 . PHE . 11401 1 44 . VAL . 11401 1 45 . VAL . 11401 1 46 . HIS . 11401 1 47 . ARG . 11401 1 48 . ARG . 11401 1 49 . CYS . 11401 1 50 . HIS . 11401 1 51 . GLU . 11401 1 52 . PHE . 11401 1 53 . VAL . 11401 1 54 . THR . 11401 1 55 . PHE . 11401 1 56 . GLU . 11401 1 57 . CYS . 11401 1 58 . PRO . 11401 1 59 . GLY . 11401 1 60 . ALA . 11401 1 61 . GLY . 11401 1 62 . LYS . 11401 1 63 . GLY . 11401 1 64 . PRO . 11401 1 65 . GLN . 11401 1 66 . THR . 11401 1 67 . ASP . 11401 1 68 . ASP . 11401 1 69 . PRO . 11401 1 70 . ARG . 11401 1 71 . ASN . 11401 1 72 . LYS . 11401 1 73 . HIS . 11401 1 74 . LYS . 11401 1 75 . PHE . 11401 1 76 . ARG . 11401 1 77 . LEU . 11401 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 11401 1 . SER 2 2 11401 1 . SER 3 3 11401 1 . GLY 4 4 11401 1 . SER 5 5 11401 1 . SER 6 6 11401 1 . GLY 7 7 11401 1 . HIS 8 8 11401 1 . LYS 9 9 11401 1 . PHE 10 10 11401 1 . THR 11 11 11401 1 . ALA 12 12 11401 1 . ARG 13 13 11401 1 . PHE 14 14 11401 1 . PHE 15 15 11401 1 . LYS 16 16 11401 1 . GLN 17 17 11401 1 . PRO 18 18 11401 1 . THR 19 19 11401 1 . PHE 20 20 11401 1 . CYS 21 21 11401 1 . SER 22 22 11401 1 . HIS 23 23 11401 1 . CYS 24 24 11401 1 . THR 25 25 11401 1 . ASP 26 26 11401 1 . PHE 27 27 11401 1 . ILE 28 28 11401 1 . TRP 29 29 11401 1 . GLY 30 30 11401 1 . ILE 31 31 11401 1 . GLY 32 32 11401 1 . LYS 33 33 11401 1 . GLN 34 34 11401 1 . GLY 35 35 11401 1 . LEU 36 36 11401 1 . GLN 37 37 11401 1 . CYS 38 38 11401 1 . GLN 39 39 11401 1 . VAL 40 40 11401 1 . CYS 41 41 11401 1 . SER 42 42 11401 1 . PHE 43 43 11401 1 . VAL 44 44 11401 1 . VAL 45 45 11401 1 . HIS 46 46 11401 1 . ARG 47 47 11401 1 . ARG 48 48 11401 1 . CYS 49 49 11401 1 . HIS 50 50 11401 1 . GLU 51 51 11401 1 . PHE 52 52 11401 1 . VAL 53 53 11401 1 . THR 54 54 11401 1 . PHE 55 55 11401 1 . GLU 56 56 11401 1 . CYS 57 57 11401 1 . PRO 58 58 11401 1 . GLY 59 59 11401 1 . ALA 60 60 11401 1 . GLY 61 61 11401 1 . LYS 62 62 11401 1 . GLY 63 63 11401 1 . PRO 64 64 11401 1 . GLN 65 65 11401 1 . THR 66 66 11401 1 . ASP 67 67 11401 1 . ASP 68 68 11401 1 . PRO 69 69 11401 1 . ARG 70 70 11401 1 . ASN 71 71 11401 1 . LYS 72 72 11401 1 . HIS 73 73 11401 1 . LYS 74 74 11401 1 . PHE 75 75 11401 1 . ARG 76 76 11401 1 . LEU 77 77 11401 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11401 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11401 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 11401 _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 . . . . . . . . . . . . . . . . . . . . . 11401 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 11401 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060626-05 . . . . . . 11401 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 11401 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11401 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11401 ZN [Zn++] SMILES CACTVS 3.341 11401 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11401 ZN [Zn+2] SMILES ACDLabs 10.04 11401 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11401 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11401 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 11401 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11401 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11401 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11401 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% {D2O;} 50uM Zncl2+1mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C1 domain, residues 36-105' . . . 1 $entity_1 . protein . . . mM . . . . 11401 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11401 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11401 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11401 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11401 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11401 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11401 1 8 H2O . . . . . . solvent 90 . . % . . . . 11401 1 9 D2O . . . . . . solvent 10 . . % . . . . 11401 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11401 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11401 1 pH 7.0 0.05 pH 11401 1 pressure 1 0.001 atm 11401 1 temperature 298 0.1 K 11401 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11401 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11401 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11401 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11401 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11401 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11401 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11401 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11401 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11401 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11401 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11401 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11401 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11401 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11401 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11401 5 'structure solution' 11401 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 11401 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11401 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11401 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 11401 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11401 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11401 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11401 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11401 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11401 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11401 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11401 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11401 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11401 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11401 1 2 $NMRPipe . . 11401 1 3 $NMRView . . 11401 1 4 $Kujira . . 11401 1 5 $CYANA . . 11401 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.242 0.030 . 1 . . . . 6 SER HA . 11401 1 2 . 1 1 6 6 SER HB2 H 1 3.858 0.030 . 2 . . . . 6 SER HB2 . 11401 1 3 . 1 1 6 6 SER C C 13 174.241 0.300 . 1 . . . . 6 SER C . 11401 1 4 . 1 1 6 6 SER CA C 13 59.222 0.300 . 1 . . . . 6 SER CA . 11401 1 5 . 1 1 6 6 SER CB C 13 63.452 0.300 . 1 . . . . 6 SER CB . 11401 1 6 . 1 1 7 7 GLY H H 1 8.123 0.030 . 1 . . . . 7 GLY H . 11401 1 7 . 1 1 7 7 GLY HA2 H 1 3.882 0.030 . 2 . . . . 7 GLY HA2 . 11401 1 8 . 1 1 7 7 GLY HA3 H 1 3.757 0.030 . 2 . . . . 7 GLY HA3 . 11401 1 9 . 1 1 7 7 GLY C C 13 174.599 0.300 . 1 . . . . 7 GLY C . 11401 1 10 . 1 1 7 7 GLY CA C 13 45.122 0.300 . 1 . . . . 7 GLY CA . 11401 1 11 . 1 1 7 7 GLY N N 15 107.979 0.300 . 1 . . . . 7 GLY N . 11401 1 12 . 1 1 8 8 HIS H H 1 7.675 0.030 . 1 . . . . 8 HIS H . 11401 1 13 . 1 1 8 8 HIS HA H 1 4.576 0.030 . 1 . . . . 8 HIS HA . 11401 1 14 . 1 1 8 8 HIS HB2 H 1 2.343 0.030 . 2 . . . . 8 HIS HB2 . 11401 1 15 . 1 1 8 8 HIS HB3 H 1 2.131 0.030 . 2 . . . . 8 HIS HB3 . 11401 1 16 . 1 1 8 8 HIS HD2 H 1 7.365 0.030 . 1 . . . . 8 HIS HD2 . 11401 1 17 . 1 1 8 8 HIS HE1 H 1 7.562 0.030 . 1 . . . . 8 HIS HE1 . 11401 1 18 . 1 1 8 8 HIS C C 13 174.449 0.300 . 1 . . . . 8 HIS C . 11401 1 19 . 1 1 8 8 HIS CA C 13 56.370 0.300 . 1 . . . . 8 HIS CA . 11401 1 20 . 1 1 8 8 HIS CB C 13 30.731 0.300 . 1 . . . . 8 HIS CB . 11401 1 21 . 1 1 8 8 HIS CD2 C 13 121.561 0.300 . 1 . . . . 8 HIS CD2 . 11401 1 22 . 1 1 8 8 HIS CE1 C 13 139.349 0.300 . 1 . . . . 8 HIS CE1 . 11401 1 23 . 1 1 8 8 HIS N N 15 118.327 0.300 . 1 . . . . 8 HIS N . 11401 1 24 . 1 1 9 9 LYS H H 1 8.755 0.030 . 1 . . . . 9 LYS H . 11401 1 25 . 1 1 9 9 LYS HA H 1 4.697 0.030 . 1 . . . . 9 LYS HA . 11401 1 26 . 1 1 9 9 LYS HB2 H 1 1.867 0.030 . 2 . . . . 9 LYS HB2 . 11401 1 27 . 1 1 9 9 LYS HB3 H 1 1.673 0.030 . 2 . . . . 9 LYS HB3 . 11401 1 28 . 1 1 9 9 LYS HD2 H 1 1.598 0.030 . 1 . . . . 9 LYS HD2 . 11401 1 29 . 1 1 9 9 LYS HD3 H 1 1.598 0.030 . 1 . . . . 9 LYS HD3 . 11401 1 30 . 1 1 9 9 LYS HE2 H 1 2.947 0.030 . 1 . . . . 9 LYS HE2 . 11401 1 31 . 1 1 9 9 LYS HE3 H 1 2.947 0.030 . 1 . . . . 9 LYS HE3 . 11401 1 32 . 1 1 9 9 LYS HG2 H 1 1.352 0.030 . 2 . . . . 9 LYS HG2 . 11401 1 33 . 1 1 9 9 LYS HG3 H 1 1.431 0.030 . 2 . . . . 9 LYS HG3 . 11401 1 34 . 1 1 9 9 LYS C C 13 175.923 0.300 . 1 . . . . 9 LYS C . 11401 1 35 . 1 1 9 9 LYS CA C 13 53.885 0.300 . 1 . . . . 9 LYS CA . 11401 1 36 . 1 1 9 9 LYS CB C 13 32.830 0.300 . 1 . . . . 9 LYS CB . 11401 1 37 . 1 1 9 9 LYS CD C 13 29.152 0.300 . 1 . . . . 9 LYS CD . 11401 1 38 . 1 1 9 9 LYS CE C 13 42.248 0.300 . 1 . . . . 9 LYS CE . 11401 1 39 . 1 1 9 9 LYS CG C 13 24.473 0.300 . 1 . . . . 9 LYS CG . 11401 1 40 . 1 1 9 9 LYS N N 15 126.307 0.300 . 1 . . . . 9 LYS N . 11401 1 41 . 1 1 10 10 PHE H H 1 8.741 0.030 . 1 . . . . 10 PHE H . 11401 1 42 . 1 1 10 10 PHE HA H 1 4.734 0.030 . 1 . . . . 10 PHE HA . 11401 1 43 . 1 1 10 10 PHE HB2 H 1 2.934 0.030 . 2 . . . . 10 PHE HB2 . 11401 1 44 . 1 1 10 10 PHE HB3 H 1 2.746 0.030 . 2 . . . . 10 PHE HB3 . 11401 1 45 . 1 1 10 10 PHE HD1 H 1 7.164 0.030 . 1 . . . . 10 PHE HD1 . 11401 1 46 . 1 1 10 10 PHE HD2 H 1 7.164 0.030 . 1 . . . . 10 PHE HD2 . 11401 1 47 . 1 1 10 10 PHE HE1 H 1 7.320 0.030 . 1 . . . . 10 PHE HE1 . 11401 1 48 . 1 1 10 10 PHE HE2 H 1 7.320 0.030 . 1 . . . . 10 PHE HE2 . 11401 1 49 . 1 1 10 10 PHE HZ H 1 6.769 0.030 . 1 . . . . 10 PHE HZ . 11401 1 50 . 1 1 10 10 PHE C C 13 176.782 0.300 . 1 . . . . 10 PHE C . 11401 1 51 . 1 1 10 10 PHE CA C 13 60.099 0.300 . 1 . . . . 10 PHE CA . 11401 1 52 . 1 1 10 10 PHE CB C 13 40.518 0.300 . 1 . . . . 10 PHE CB . 11401 1 53 . 1 1 10 10 PHE CD1 C 13 131.720 0.300 . 1 . . . . 10 PHE CD1 . 11401 1 54 . 1 1 10 10 PHE CD2 C 13 131.720 0.300 . 1 . . . . 10 PHE CD2 . 11401 1 55 . 1 1 10 10 PHE CE1 C 13 131.733 0.300 . 1 . . . . 10 PHE CE1 . 11401 1 56 . 1 1 10 10 PHE CE2 C 13 131.733 0.300 . 1 . . . . 10 PHE CE2 . 11401 1 57 . 1 1 10 10 PHE CZ C 13 128.867 0.300 . 1 . . . . 10 PHE CZ . 11401 1 58 . 1 1 10 10 PHE N N 15 121.888 0.300 . 1 . . . . 10 PHE N . 11401 1 59 . 1 1 11 11 THR H H 1 8.621 0.030 . 1 . . . . 11 THR H . 11401 1 60 . 1 1 11 11 THR HA H 1 4.666 0.030 . 1 . . . . 11 THR HA . 11401 1 61 . 1 1 11 11 THR HB H 1 4.115 0.030 . 1 . . . . 11 THR HB . 11401 1 62 . 1 1 11 11 THR HG21 H 1 1.262 0.030 . 1 . . . . 11 THR HG2 . 11401 1 63 . 1 1 11 11 THR HG22 H 1 1.262 0.030 . 1 . . . . 11 THR HG2 . 11401 1 64 . 1 1 11 11 THR HG23 H 1 1.262 0.030 . 1 . . . . 11 THR HG2 . 11401 1 65 . 1 1 11 11 THR C C 13 172.674 0.300 . 1 . . . . 11 THR C . 11401 1 66 . 1 1 11 11 THR CA C 13 60.491 0.300 . 1 . . . . 11 THR CA . 11401 1 67 . 1 1 11 11 THR CB C 13 71.663 0.300 . 1 . . . . 11 THR CB . 11401 1 68 . 1 1 11 11 THR CG2 C 13 20.985 0.300 . 1 . . . . 11 THR CG2 . 11401 1 69 . 1 1 11 11 THR N N 15 116.006 0.300 . 1 . . . . 11 THR N . 11401 1 70 . 1 1 12 12 ALA H H 1 8.589 0.030 . 1 . . . . 12 ALA H . 11401 1 71 . 1 1 12 12 ALA HA H 1 4.730 0.030 . 1 . . . . 12 ALA HA . 11401 1 72 . 1 1 12 12 ALA HB1 H 1 1.259 0.030 . 1 . . . . 12 ALA HB . 11401 1 73 . 1 1 12 12 ALA HB2 H 1 1.259 0.030 . 1 . . . . 12 ALA HB . 11401 1 74 . 1 1 12 12 ALA HB3 H 1 1.259 0.030 . 1 . . . . 12 ALA HB . 11401 1 75 . 1 1 12 12 ALA C C 13 177.074 0.300 . 1 . . . . 12 ALA C . 11401 1 76 . 1 1 12 12 ALA CA C 13 52.500 0.300 . 1 . . . . 12 ALA CA . 11401 1 77 . 1 1 12 12 ALA CB C 13 19.171 0.300 . 1 . . . . 12 ALA CB . 11401 1 78 . 1 1 12 12 ALA N N 15 128.447 0.300 . 1 . . . . 12 ALA N . 11401 1 79 . 1 1 13 13 ARG H H 1 8.234 0.030 . 1 . . . . 13 ARG H . 11401 1 80 . 1 1 13 13 ARG HA H 1 4.451 0.030 . 1 . . . . 13 ARG HA . 11401 1 81 . 1 1 13 13 ARG HB2 H 1 1.363 0.030 . 2 . . . . 13 ARG HB2 . 11401 1 82 . 1 1 13 13 ARG HB3 H 1 1.288 0.030 . 2 . . . . 13 ARG HB3 . 11401 1 83 . 1 1 13 13 ARG HD2 H 1 2.963 0.030 . 1 . . . . 13 ARG HD2 . 11401 1 84 . 1 1 13 13 ARG HD3 H 1 2.963 0.030 . 1 . . . . 13 ARG HD3 . 11401 1 85 . 1 1 13 13 ARG HG2 H 1 1.216 0.030 . 2 . . . . 13 ARG HG2 . 11401 1 86 . 1 1 13 13 ARG HG3 H 1 0.991 0.030 . 2 . . . . 13 ARG HG3 . 11401 1 87 . 1 1 13 13 ARG C C 13 173.253 0.300 . 1 . . . . 13 ARG C . 11401 1 88 . 1 1 13 13 ARG CA C 13 54.381 0.300 . 1 . . . . 13 ARG CA . 11401 1 89 . 1 1 13 13 ARG CB C 13 33.556 0.300 . 1 . . . . 13 ARG CB . 11401 1 90 . 1 1 13 13 ARG CD C 13 43.026 0.300 . 1 . . . . 13 ARG CD . 11401 1 91 . 1 1 13 13 ARG CG C 13 25.796 0.300 . 1 . . . . 13 ARG CG . 11401 1 92 . 1 1 13 13 ARG N N 15 119.998 0.300 . 1 . . . . 13 ARG N . 11401 1 93 . 1 1 14 14 PHE H H 1 8.225 0.030 . 1 . . . . 14 PHE H . 11401 1 94 . 1 1 14 14 PHE HA H 1 4.743 0.030 . 1 . . . . 14 PHE HA . 11401 1 95 . 1 1 14 14 PHE HB2 H 1 2.845 0.030 . 2 . . . . 14 PHE HB2 . 11401 1 96 . 1 1 14 14 PHE HB3 H 1 2.989 0.030 . 2 . . . . 14 PHE HB3 . 11401 1 97 . 1 1 14 14 PHE HD1 H 1 7.242 0.030 . 1 . . . . 14 PHE HD1 . 11401 1 98 . 1 1 14 14 PHE HD2 H 1 7.242 0.030 . 1 . . . . 14 PHE HD2 . 11401 1 99 . 1 1 14 14 PHE C C 13 175.318 0.300 . 1 . . . . 14 PHE C . 11401 1 100 . 1 1 14 14 PHE CA C 13 56.558 0.300 . 1 . . . . 14 PHE CA . 11401 1 101 . 1 1 14 14 PHE CB C 13 40.080 0.300 . 1 . . . . 14 PHE CB . 11401 1 102 . 1 1 14 14 PHE CD1 C 13 131.983 0.300 . 1 . . . . 14 PHE CD1 . 11401 1 103 . 1 1 14 14 PHE CD2 C 13 131.983 0.300 . 1 . . . . 14 PHE CD2 . 11401 1 104 . 1 1 14 14 PHE N N 15 120.276 0.300 . 1 . . . . 14 PHE N . 11401 1 105 . 1 1 15 15 PHE H H 1 8.827 0.030 . 1 . . . . 15 PHE H . 11401 1 106 . 1 1 15 15 PHE HA H 1 4.665 0.030 . 1 . . . . 15 PHE HA . 11401 1 107 . 1 1 15 15 PHE HB2 H 1 3.275 0.030 . 2 . . . . 15 PHE HB2 . 11401 1 108 . 1 1 15 15 PHE HB3 H 1 2.804 0.030 . 2 . . . . 15 PHE HB3 . 11401 1 109 . 1 1 15 15 PHE HD1 H 1 7.260 0.030 . 1 . . . . 15 PHE HD1 . 11401 1 110 . 1 1 15 15 PHE HD2 H 1 7.260 0.030 . 1 . . . . 15 PHE HD2 . 11401 1 111 . 1 1 15 15 PHE HE1 H 1 6.995 0.030 . 1 . . . . 15 PHE HE1 . 11401 1 112 . 1 1 15 15 PHE HE2 H 1 6.995 0.030 . 1 . . . . 15 PHE HE2 . 11401 1 113 . 1 1 15 15 PHE HZ H 1 6.865 0.030 . 1 . . . . 15 PHE HZ . 11401 1 114 . 1 1 15 15 PHE C C 13 175.296 0.300 . 1 . . . . 15 PHE C . 11401 1 115 . 1 1 15 15 PHE CA C 13 57.733 0.300 . 1 . . . . 15 PHE CA . 11401 1 116 . 1 1 15 15 PHE CB C 13 40.452 0.300 . 1 . . . . 15 PHE CB . 11401 1 117 . 1 1 15 15 PHE CD1 C 13 132.233 0.300 . 1 . . . . 15 PHE CD1 . 11401 1 118 . 1 1 15 15 PHE CD2 C 13 132.233 0.300 . 1 . . . . 15 PHE CD2 . 11401 1 119 . 1 1 15 15 PHE CE1 C 13 130.349 0.300 . 1 . . . . 15 PHE CE1 . 11401 1 120 . 1 1 15 15 PHE CE2 C 13 130.349 0.300 . 1 . . . . 15 PHE CE2 . 11401 1 121 . 1 1 15 15 PHE CZ C 13 128.730 0.300 . 1 . . . . 15 PHE CZ . 11401 1 122 . 1 1 15 15 PHE N N 15 124.012 0.300 . 1 . . . . 15 PHE N . 11401 1 123 . 1 1 16 16 LYS HA H 1 4.275 0.030 . 1 . . . . 16 LYS HA . 11401 1 124 . 1 1 16 16 LYS HB2 H 1 1.977 0.030 . 2 . . . . 16 LYS HB2 . 11401 1 125 . 1 1 16 16 LYS HB3 H 1 1.856 0.030 . 2 . . . . 16 LYS HB3 . 11401 1 126 . 1 1 16 16 LYS HD2 H 1 1.743 0.030 . 1 . . . . 16 LYS HD2 . 11401 1 127 . 1 1 16 16 LYS HD3 H 1 1.743 0.030 . 1 . . . . 16 LYS HD3 . 11401 1 128 . 1 1 16 16 LYS HE2 H 1 3.021 0.030 . 1 . . . . 16 LYS HE2 . 11401 1 129 . 1 1 16 16 LYS HE3 H 1 3.021 0.030 . 1 . . . . 16 LYS HE3 . 11401 1 130 . 1 1 16 16 LYS HG2 H 1 1.500 0.030 . 2 . . . . 16 LYS HG2 . 11401 1 131 . 1 1 16 16 LYS HG3 H 1 1.541 0.030 . 2 . . . . 16 LYS HG3 . 11401 1 132 . 1 1 16 16 LYS C C 13 176.179 0.300 . 1 . . . . 16 LYS C . 11401 1 133 . 1 1 16 16 LYS CA C 13 57.452 0.300 . 1 . . . . 16 LYS CA . 11401 1 134 . 1 1 16 16 LYS CB C 13 33.257 0.300 . 1 . . . . 16 LYS CB . 11401 1 135 . 1 1 16 16 LYS CD C 13 29.133 0.300 . 1 . . . . 16 LYS CD . 11401 1 136 . 1 1 16 16 LYS CE C 13 42.177 0.300 . 1 . . . . 16 LYS CE . 11401 1 137 . 1 1 16 16 LYS CG C 13 25.324 0.300 . 1 . . . . 16 LYS CG . 11401 1 138 . 1 1 17 17 GLN H H 1 7.821 0.030 . 1 . . . . 17 GLN H . 11401 1 139 . 1 1 17 17 GLN HA H 1 4.673 0.030 . 1 . . . . 17 GLN HA . 11401 1 140 . 1 1 17 17 GLN HB2 H 1 1.846 0.030 . 2 . . . . 17 GLN HB2 . 11401 1 141 . 1 1 17 17 GLN HB3 H 1 2.019 0.030 . 2 . . . . 17 GLN HB3 . 11401 1 142 . 1 1 17 17 GLN HG2 H 1 2.265 0.030 . 1 . . . . 17 GLN HG2 . 11401 1 143 . 1 1 17 17 GLN HG3 H 1 2.265 0.030 . 1 . . . . 17 GLN HG3 . 11401 1 144 . 1 1 17 17 GLN C C 13 172.724 0.300 . 1 . . . . 17 GLN C . 11401 1 145 . 1 1 17 17 GLN CA C 13 52.837 0.300 . 1 . . . . 17 GLN CA . 11401 1 146 . 1 1 17 17 GLN CB C 13 29.189 0.300 . 1 . . . . 17 GLN CB . 11401 1 147 . 1 1 17 17 GLN CG C 13 33.020 0.300 . 1 . . . . 17 GLN CG . 11401 1 148 . 1 1 17 17 GLN N N 15 116.628 0.300 . 1 . . . . 17 GLN N . 11401 1 149 . 1 1 18 18 PRO HA H 1 4.214 0.030 . 1 . . . . 18 PRO HA . 11401 1 150 . 1 1 18 18 PRO HB2 H 1 1.521 0.030 . 2 . . . . 18 PRO HB2 . 11401 1 151 . 1 1 18 18 PRO HB3 H 1 1.350 0.030 . 2 . . . . 18 PRO HB3 . 11401 1 152 . 1 1 18 18 PRO HD2 H 1 3.169 0.030 . 2 . . . . 18 PRO HD2 . 11401 1 153 . 1 1 18 18 PRO HD3 H 1 3.317 0.030 . 2 . . . . 18 PRO HD3 . 11401 1 154 . 1 1 18 18 PRO HG2 H 1 1.643 0.030 . 2 . . . . 18 PRO HG2 . 11401 1 155 . 1 1 18 18 PRO HG3 H 1 1.103 0.030 . 2 . . . . 18 PRO HG3 . 11401 1 156 . 1 1 18 18 PRO C C 13 176.417 0.300 . 1 . . . . 18 PRO C . 11401 1 157 . 1 1 18 18 PRO CA C 13 63.771 0.300 . 1 . . . . 18 PRO CA . 11401 1 158 . 1 1 18 18 PRO CB C 13 31.225 0.300 . 1 . . . . 18 PRO CB . 11401 1 159 . 1 1 18 18 PRO CD C 13 50.241 0.300 . 1 . . . . 18 PRO CD . 11401 1 160 . 1 1 18 18 PRO CG C 13 27.256 0.300 . 1 . . . . 18 PRO CG . 11401 1 161 . 1 1 19 19 THR H H 1 8.126 0.030 . 1 . . . . 19 THR H . 11401 1 162 . 1 1 19 19 THR HA H 1 4.381 0.030 . 1 . . . . 19 THR HA . 11401 1 163 . 1 1 19 19 THR HB H 1 3.323 0.030 . 1 . . . . 19 THR HB . 11401 1 164 . 1 1 19 19 THR HG21 H 1 0.601 0.030 . 1 . . . . 19 THR HG2 . 11401 1 165 . 1 1 19 19 THR HG22 H 1 0.601 0.030 . 1 . . . . 19 THR HG2 . 11401 1 166 . 1 1 19 19 THR HG23 H 1 0.601 0.030 . 1 . . . . 19 THR HG2 . 11401 1 167 . 1 1 19 19 THR C C 13 171.983 0.300 . 1 . . . . 19 THR C . 11401 1 168 . 1 1 19 19 THR CA C 13 61.735 0.300 . 1 . . . . 19 THR CA . 11401 1 169 . 1 1 19 19 THR CB C 13 72.217 0.300 . 1 . . . . 19 THR CB . 11401 1 170 . 1 1 19 19 THR CG2 C 13 19.741 0.300 . 1 . . . . 19 THR CG2 . 11401 1 171 . 1 1 19 19 THR N N 15 122.097 0.300 . 1 . . . . 19 THR N . 11401 1 172 . 1 1 20 20 PHE H H 1 8.562 0.030 . 1 . . . . 20 PHE H . 11401 1 173 . 1 1 20 20 PHE HA H 1 4.022 0.030 . 1 . . . . 20 PHE HA . 11401 1 174 . 1 1 20 20 PHE HB2 H 1 2.539 0.030 . 1 . . . . 20 PHE HB2 . 11401 1 175 . 1 1 20 20 PHE HB3 H 1 2.539 0.030 . 1 . . . . 20 PHE HB3 . 11401 1 176 . 1 1 20 20 PHE HD1 H 1 6.830 0.030 . 1 . . . . 20 PHE HD1 . 11401 1 177 . 1 1 20 20 PHE HD2 H 1 6.830 0.030 . 1 . . . . 20 PHE HD2 . 11401 1 178 . 1 1 20 20 PHE HE1 H 1 7.014 0.030 . 1 . . . . 20 PHE HE1 . 11401 1 179 . 1 1 20 20 PHE HE2 H 1 7.014 0.030 . 1 . . . . 20 PHE HE2 . 11401 1 180 . 1 1 20 20 PHE C C 13 173.946 0.300 . 1 . . . . 20 PHE C . 11401 1 181 . 1 1 20 20 PHE CA C 13 58.165 0.300 . 1 . . . . 20 PHE CA . 11401 1 182 . 1 1 20 20 PHE CB C 13 39.975 0.300 . 1 . . . . 20 PHE CB . 11401 1 183 . 1 1 20 20 PHE CD1 C 13 131.483 0.300 . 1 . . . . 20 PHE CD1 . 11401 1 184 . 1 1 20 20 PHE CD2 C 13 131.483 0.300 . 1 . . . . 20 PHE CD2 . 11401 1 185 . 1 1 20 20 PHE CE1 C 13 131.483 0.300 . 1 . . . . 20 PHE CE1 . 11401 1 186 . 1 1 20 20 PHE CE2 C 13 131.483 0.300 . 1 . . . . 20 PHE CE2 . 11401 1 187 . 1 1 20 20 PHE N N 15 126.331 0.300 . 1 . . . . 20 PHE N . 11401 1 188 . 1 1 21 21 CYS H H 1 8.175 0.030 . 1 . . . . 21 CYS H . 11401 1 189 . 1 1 21 21 CYS HA H 1 4.047 0.030 . 1 . . . . 21 CYS HA . 11401 1 190 . 1 1 21 21 CYS HB2 H 1 2.015 0.030 . 2 . . . . 21 CYS HB2 . 11401 1 191 . 1 1 21 21 CYS HB3 H 1 3.350 0.030 . 2 . . . . 21 CYS HB3 . 11401 1 192 . 1 1 21 21 CYS C C 13 176.940 0.300 . 1 . . . . 21 CYS C . 11401 1 193 . 1 1 21 21 CYS CA C 13 58.379 0.300 . 1 . . . . 21 CYS CA . 11401 1 194 . 1 1 21 21 CYS CB C 13 31.464 0.300 . 1 . . . . 21 CYS CB . 11401 1 195 . 1 1 21 21 CYS N N 15 123.578 0.300 . 1 . . . . 21 CYS N . 11401 1 196 . 1 1 22 22 SER H H 1 9.195 0.030 . 1 . . . . 22 SER H . 11401 1 197 . 1 1 22 22 SER HA H 1 4.062 0.030 . 1 . . . . 22 SER HA . 11401 1 198 . 1 1 22 22 SER HB2 H 1 3.468 0.030 . 2 . . . . 22 SER HB2 . 11401 1 199 . 1 1 22 22 SER HB3 H 1 2.733 0.030 . 2 . . . . 22 SER HB3 . 11401 1 200 . 1 1 22 22 SER C C 13 173.605 0.300 . 1 . . . . 22 SER C . 11401 1 201 . 1 1 22 22 SER CA C 13 61.321 0.300 . 1 . . . . 22 SER CA . 11401 1 202 . 1 1 22 22 SER CB C 13 63.102 0.300 . 1 . . . . 22 SER CB . 11401 1 203 . 1 1 22 22 SER N N 15 126.131 0.300 . 1 . . . . 22 SER N . 11401 1 204 . 1 1 23 23 HIS H H 1 8.908 0.030 . 1 . . . . 23 HIS H . 11401 1 205 . 1 1 23 23 HIS HA H 1 4.816 0.030 . 1 . . . . 23 HIS HA . 11401 1 206 . 1 1 23 23 HIS HB2 H 1 3.246 0.030 . 2 . . . . 23 HIS HB2 . 11401 1 207 . 1 1 23 23 HIS HB3 H 1 3.048 0.030 . 2 . . . . 23 HIS HB3 . 11401 1 208 . 1 1 23 23 HIS HD2 H 1 7.615 0.030 . 1 . . . . 23 HIS HD2 . 11401 1 209 . 1 1 23 23 HIS HE1 H 1 7.782 0.030 . 1 . . . . 23 HIS HE1 . 11401 1 210 . 1 1 23 23 HIS C C 13 175.635 0.300 . 1 . . . . 23 HIS C . 11401 1 211 . 1 1 23 23 HIS CA C 13 59.431 0.300 . 1 . . . . 23 HIS CA . 11401 1 212 . 1 1 23 23 HIS CB C 13 33.587 0.300 . 1 . . . . 23 HIS CB . 11401 1 213 . 1 1 23 23 HIS CD2 C 13 116.967 0.300 . 1 . . . . 23 HIS CD2 . 11401 1 214 . 1 1 23 23 HIS CE1 C 13 140.233 0.300 . 1 . . . . 23 HIS CE1 . 11401 1 215 . 1 1 23 23 HIS N N 15 120.198 0.300 . 1 . . . . 23 HIS N . 11401 1 216 . 1 1 24 24 CYS H H 1 8.599 0.030 . 1 . . . . 24 CYS H . 11401 1 217 . 1 1 24 24 CYS HA H 1 4.743 0.030 . 1 . . . . 24 CYS HA . 11401 1 218 . 1 1 24 24 CYS HB2 H 1 3.353 0.030 . 2 . . . . 24 CYS HB2 . 11401 1 219 . 1 1 24 24 CYS HB3 H 1 3.104 0.030 . 2 . . . . 24 CYS HB3 . 11401 1 220 . 1 1 24 24 CYS C C 13 177.589 0.300 . 1 . . . . 24 CYS C . 11401 1 221 . 1 1 24 24 CYS CA C 13 58.481 0.300 . 1 . . . . 24 CYS CA . 11401 1 222 . 1 1 24 24 CYS CB C 13 31.620 0.300 . 1 . . . . 24 CYS CB . 11401 1 223 . 1 1 24 24 CYS N N 15 117.676 0.300 . 1 . . . . 24 CYS N . 11401 1 224 . 1 1 25 25 THR H H 1 7.793 0.030 . 1 . . . . 25 THR H . 11401 1 225 . 1 1 25 25 THR HA H 1 3.970 0.030 . 1 . . . . 25 THR HA . 11401 1 226 . 1 1 25 25 THR HB H 1 4.361 0.030 . 1 . . . . 25 THR HB . 11401 1 227 . 1 1 25 25 THR HG21 H 1 0.999 0.030 . 1 . . . . 25 THR HG2 . 11401 1 228 . 1 1 25 25 THR HG22 H 1 0.999 0.030 . 1 . . . . 25 THR HG2 . 11401 1 229 . 1 1 25 25 THR HG23 H 1 0.999 0.030 . 1 . . . . 25 THR HG2 . 11401 1 230 . 1 1 25 25 THR C C 13 171.962 0.300 . 1 . . . . 25 THR C . 11401 1 231 . 1 1 25 25 THR CA C 13 64.922 0.300 . 1 . . . . 25 THR CA . 11401 1 232 . 1 1 25 25 THR CB C 13 69.491 0.300 . 1 . . . . 25 THR CB . 11401 1 233 . 1 1 25 25 THR CG2 C 13 21.852 0.300 . 1 . . . . 25 THR CG2 . 11401 1 234 . 1 1 25 25 THR N N 15 116.117 0.300 . 1 . . . . 25 THR N . 11401 1 235 . 1 1 26 26 ASP H H 1 8.475 0.030 . 1 . . . . 26 ASP H . 11401 1 236 . 1 1 26 26 ASP HA H 1 5.036 0.030 . 1 . . . . 26 ASP HA . 11401 1 237 . 1 1 26 26 ASP HB2 H 1 2.942 0.030 . 2 . . . . 26 ASP HB2 . 11401 1 238 . 1 1 26 26 ASP HB3 H 1 2.868 0.030 . 2 . . . . 26 ASP HB3 . 11401 1 239 . 1 1 26 26 ASP C C 13 176.287 0.300 . 1 . . . . 26 ASP C . 11401 1 240 . 1 1 26 26 ASP CA C 13 53.201 0.300 . 1 . . . . 26 ASP CA . 11401 1 241 . 1 1 26 26 ASP CB C 13 42.980 0.300 . 1 . . . . 26 ASP CB . 11401 1 242 . 1 1 26 26 ASP N N 15 122.541 0.300 . 1 . . . . 26 ASP N . 11401 1 243 . 1 1 27 27 PHE H H 1 8.790 0.030 . 1 . . . . 27 PHE H . 11401 1 244 . 1 1 27 27 PHE HA H 1 4.281 0.030 . 1 . . . . 27 PHE HA . 11401 1 245 . 1 1 27 27 PHE HB2 H 1 2.463 0.030 . 2 . . . . 27 PHE HB2 . 11401 1 246 . 1 1 27 27 PHE HB3 H 1 2.676 0.030 . 2 . . . . 27 PHE HB3 . 11401 1 247 . 1 1 27 27 PHE HD1 H 1 6.791 0.030 . 1 . . . . 27 PHE HD1 . 11401 1 248 . 1 1 27 27 PHE HD2 H 1 6.791 0.030 . 1 . . . . 27 PHE HD2 . 11401 1 249 . 1 1 27 27 PHE C C 13 177.089 0.300 . 1 . . . . 27 PHE C . 11401 1 250 . 1 1 27 27 PHE CA C 13 58.991 0.300 . 1 . . . . 27 PHE CA . 11401 1 251 . 1 1 27 27 PHE CB C 13 40.384 0.300 . 1 . . . . 27 PHE CB . 11401 1 252 . 1 1 27 27 PHE CD1 C 13 131.000 0.300 . 1 . . . . 27 PHE CD1 . 11401 1 253 . 1 1 27 27 PHE CD2 C 13 131.000 0.300 . 1 . . . . 27 PHE CD2 . 11401 1 254 . 1 1 27 27 PHE N N 15 118.743 0.300 . 1 . . . . 27 PHE N . 11401 1 255 . 1 1 28 28 ILE H H 1 8.949 0.030 . 1 . . . . 28 ILE H . 11401 1 256 . 1 1 28 28 ILE HA H 1 4.099 0.030 . 1 . . . . 28 ILE HA . 11401 1 257 . 1 1 28 28 ILE HB H 1 1.335 0.030 . 1 . . . . 28 ILE HB . 11401 1 258 . 1 1 28 28 ILE HD11 H 1 0.101 0.030 . 1 . . . . 28 ILE HD1 . 11401 1 259 . 1 1 28 28 ILE HD12 H 1 0.101 0.030 . 1 . . . . 28 ILE HD1 . 11401 1 260 . 1 1 28 28 ILE HD13 H 1 0.101 0.030 . 1 . . . . 28 ILE HD1 . 11401 1 261 . 1 1 28 28 ILE HG12 H 1 0.943 0.030 . 2 . . . . 28 ILE HG12 . 11401 1 262 . 1 1 28 28 ILE HG13 H 1 -0.161 0.030 . 2 . . . . 28 ILE HG13 . 11401 1 263 . 1 1 28 28 ILE HG21 H 1 0.618 0.030 . 1 . . . . 28 ILE HG2 . 11401 1 264 . 1 1 28 28 ILE HG22 H 1 0.618 0.030 . 1 . . . . 28 ILE HG2 . 11401 1 265 . 1 1 28 28 ILE HG23 H 1 0.618 0.030 . 1 . . . . 28 ILE HG2 . 11401 1 266 . 1 1 28 28 ILE C C 13 174.784 0.300 . 1 . . . . 28 ILE C . 11401 1 267 . 1 1 28 28 ILE CA C 13 61.257 0.300 . 1 . . . . 28 ILE CA . 11401 1 268 . 1 1 28 28 ILE CB C 13 37.908 0.300 . 1 . . . . 28 ILE CB . 11401 1 269 . 1 1 28 28 ILE CD1 C 13 14.065 0.300 . 1 . . . . 28 ILE CD1 . 11401 1 270 . 1 1 28 28 ILE CG1 C 13 26.336 0.300 . 1 . . . . 28 ILE CG1 . 11401 1 271 . 1 1 28 28 ILE CG2 C 13 17.741 0.300 . 1 . . . . 28 ILE CG2 . 11401 1 272 . 1 1 28 28 ILE N N 15 124.653 0.300 . 1 . . . . 28 ILE N . 11401 1 273 . 1 1 29 29 TRP H H 1 8.334 0.030 . 1 . . . . 29 TRP H . 11401 1 274 . 1 1 29 29 TRP HA H 1 4.883 0.030 . 1 . . . . 29 TRP HA . 11401 1 275 . 1 1 29 29 TRP HB2 H 1 3.258 0.030 . 2 . . . . 29 TRP HB2 . 11401 1 276 . 1 1 29 29 TRP HB3 H 1 3.214 0.030 . 2 . . . . 29 TRP HB3 . 11401 1 277 . 1 1 29 29 TRP HD1 H 1 7.202 0.030 . 1 . . . . 29 TRP HD1 . 11401 1 278 . 1 1 29 29 TRP HE1 H 1 10.133 0.030 . 1 . . . . 29 TRP HE1 . 11401 1 279 . 1 1 29 29 TRP HE3 H 1 7.590 0.030 . 1 . . . . 29 TRP HE3 . 11401 1 280 . 1 1 29 29 TRP HH2 H 1 7.147 0.030 . 1 . . . . 29 TRP HH2 . 11401 1 281 . 1 1 29 29 TRP HZ2 H 1 7.471 0.030 . 1 . . . . 29 TRP HZ2 . 11401 1 282 . 1 1 29 29 TRP HZ3 H 1 6.998 0.030 . 1 . . . . 29 TRP HZ3 . 11401 1 283 . 1 1 29 29 TRP C C 13 175.101 0.300 . 1 . . . . 29 TRP C . 11401 1 284 . 1 1 29 29 TRP CA C 13 56.854 0.300 . 1 . . . . 29 TRP CA . 11401 1 285 . 1 1 29 29 TRP CB C 13 30.994 0.300 . 1 . . . . 29 TRP CB . 11401 1 286 . 1 1 29 29 TRP CD1 C 13 126.983 0.300 . 1 . . . . 29 TRP CD1 . 11401 1 287 . 1 1 29 29 TRP CE3 C 13 120.983 0.300 . 1 . . . . 29 TRP CE3 . 11401 1 288 . 1 1 29 29 TRP CH2 C 13 124.641 0.300 . 1 . . . . 29 TRP CH2 . 11401 1 289 . 1 1 29 29 TRP CZ2 C 13 114.719 0.300 . 1 . . . . 29 TRP CZ2 . 11401 1 290 . 1 1 29 29 TRP CZ3 C 13 122.011 0.300 . 1 . . . . 29 TRP CZ3 . 11401 1 291 . 1 1 29 29 TRP N N 15 125.710 0.300 . 1 . . . . 29 TRP N . 11401 1 292 . 1 1 29 29 TRP NE1 N 15 129.495 0.300 . 1 . . . . 29 TRP NE1 . 11401 1 293 . 1 1 30 30 GLY H H 1 8.026 0.030 . 1 . . . . 30 GLY H . 11401 1 294 . 1 1 30 30 GLY HA2 H 1 4.102 0.030 . 2 . . . . 30 GLY HA2 . 11401 1 295 . 1 1 30 30 GLY HA3 H 1 3.690 0.030 . 2 . . . . 30 GLY HA3 . 11401 1 296 . 1 1 30 30 GLY C C 13 173.748 0.300 . 1 . . . . 30 GLY C . 11401 1 297 . 1 1 30 30 GLY CA C 13 44.970 0.300 . 1 . . . . 30 GLY CA . 11401 1 298 . 1 1 30 30 GLY N N 15 110.349 0.300 . 1 . . . . 30 GLY N . 11401 1 299 . 1 1 31 31 ILE H H 1 8.129 0.030 . 1 . . . . 31 ILE H . 11401 1 300 . 1 1 31 31 ILE HA H 1 4.079 0.030 . 1 . . . . 31 ILE HA . 11401 1 301 . 1 1 31 31 ILE HB H 1 1.815 0.030 . 1 . . . . 31 ILE HB . 11401 1 302 . 1 1 31 31 ILE HD11 H 1 0.843 0.030 . 1 . . . . 31 ILE HD1 . 11401 1 303 . 1 1 31 31 ILE HD12 H 1 0.843 0.030 . 1 . . . . 31 ILE HD1 . 11401 1 304 . 1 1 31 31 ILE HD13 H 1 0.843 0.030 . 1 . . . . 31 ILE HD1 . 11401 1 305 . 1 1 31 31 ILE HG12 H 1 1.440 0.030 . 2 . . . . 31 ILE HG12 . 11401 1 306 . 1 1 31 31 ILE HG13 H 1 1.175 0.030 . 2 . . . . 31 ILE HG13 . 11401 1 307 . 1 1 31 31 ILE HG21 H 1 0.879 0.030 . 1 . . . . 31 ILE HG2 . 11401 1 308 . 1 1 31 31 ILE HG22 H 1 0.879 0.030 . 1 . . . . 31 ILE HG2 . 11401 1 309 . 1 1 31 31 ILE HG23 H 1 0.879 0.030 . 1 . . . . 31 ILE HG2 . 11401 1 310 . 1 1 31 31 ILE C C 13 177.301 0.300 . 1 . . . . 31 ILE C . 11401 1 311 . 1 1 31 31 ILE CA C 13 61.865 0.300 . 1 . . . . 31 ILE CA . 11401 1 312 . 1 1 31 31 ILE CB C 13 38.408 0.300 . 1 . . . . 31 ILE CB . 11401 1 313 . 1 1 31 31 ILE CD1 C 13 13.087 0.300 . 1 . . . . 31 ILE CD1 . 11401 1 314 . 1 1 31 31 ILE CG1 C 13 27.480 0.300 . 1 . . . . 31 ILE CG1 . 11401 1 315 . 1 1 31 31 ILE CG2 C 13 17.491 0.300 . 1 . . . . 31 ILE CG2 . 11401 1 316 . 1 1 31 31 ILE N N 15 119.342 0.300 . 1 . . . . 31 ILE N . 11401 1 317 . 1 1 32 32 GLY H H 1 8.538 0.030 . 1 . . . . 32 GLY H . 11401 1 318 . 1 1 32 32 GLY HA2 H 1 4.032 0.030 . 2 . . . . 32 GLY HA2 . 11401 1 319 . 1 1 32 32 GLY HA3 H 1 3.737 0.030 . 2 . . . . 32 GLY HA3 . 11401 1 320 . 1 1 32 32 GLY CA C 13 44.226 0.300 . 1 . . . . 32 GLY CA . 11401 1 321 . 1 1 32 32 GLY N N 15 112.183 0.300 . 1 . . . . 32 GLY N . 11401 1 322 . 1 1 33 33 LYS H H 1 7.257 0.030 . 1 . . . . 33 LYS H . 11401 1 323 . 1 1 33 33 LYS HA H 1 4.386 0.030 . 1 . . . . 33 LYS HA . 11401 1 324 . 1 1 33 33 LYS HB2 H 1 1.772 0.030 . 1 . . . . 33 LYS HB2 . 11401 1 325 . 1 1 33 33 LYS HB3 H 1 1.772 0.030 . 1 . . . . 33 LYS HB3 . 11401 1 326 . 1 1 33 33 LYS HD2 H 1 1.535 0.030 . 1 . . . . 33 LYS HD2 . 11401 1 327 . 1 1 33 33 LYS HD3 H 1 1.535 0.030 . 1 . . . . 33 LYS HD3 . 11401 1 328 . 1 1 33 33 LYS HE2 H 1 2.818 0.030 . 1 . . . . 33 LYS HE2 . 11401 1 329 . 1 1 33 33 LYS HE3 H 1 2.818 0.030 . 1 . . . . 33 LYS HE3 . 11401 1 330 . 1 1 33 33 LYS HG2 H 1 1.303 0.030 . 2 . . . . 33 LYS HG2 . 11401 1 331 . 1 1 33 33 LYS HG3 H 1 1.019 0.030 . 2 . . . . 33 LYS HG3 . 11401 1 332 . 1 1 33 33 LYS C C 13 175.857 0.300 . 1 . . . . 33 LYS C . 11401 1 333 . 1 1 33 33 LYS CA C 13 55.817 0.300 . 1 . . . . 33 LYS CA . 11401 1 334 . 1 1 33 33 LYS CB C 13 32.173 0.300 . 1 . . . . 33 LYS CB . 11401 1 335 . 1 1 33 33 LYS CD C 13 29.290 0.300 . 1 . . . . 33 LYS CD . 11401 1 336 . 1 1 33 33 LYS CE C 13 42.298 0.300 . 1 . . . . 33 LYS CE . 11401 1 337 . 1 1 33 33 LYS CG C 13 24.952 0.300 . 1 . . . . 33 LYS CG . 11401 1 338 . 1 1 34 34 GLN H H 1 8.347 0.030 . 1 . . . . 34 GLN H . 11401 1 339 . 1 1 34 34 GLN HA H 1 4.472 0.030 . 1 . . . . 34 GLN HA . 11401 1 340 . 1 1 34 34 GLN HB2 H 1 1.840 0.030 . 2 . . . . 34 GLN HB2 . 11401 1 341 . 1 1 34 34 GLN HB3 H 1 2.109 0.030 . 2 . . . . 34 GLN HB3 . 11401 1 342 . 1 1 34 34 GLN HE21 H 1 7.212 0.030 . 2 . . . . 34 GLN HE21 . 11401 1 343 . 1 1 34 34 GLN HE22 H 1 6.870 0.030 . 2 . . . . 34 GLN HE22 . 11401 1 344 . 1 1 34 34 GLN HG2 H 1 2.065 0.030 . 2 . . . . 34 GLN HG2 . 11401 1 345 . 1 1 34 34 GLN HG3 H 1 1.962 0.030 . 2 . . . . 34 GLN HG3 . 11401 1 346 . 1 1 34 34 GLN C C 13 176.635 0.300 . 1 . . . . 34 GLN C . 11401 1 347 . 1 1 34 34 GLN CA C 13 56.215 0.300 . 1 . . . . 34 GLN CA . 11401 1 348 . 1 1 34 34 GLN CB C 13 30.715 0.300 . 1 . . . . 34 GLN CB . 11401 1 349 . 1 1 34 34 GLN CG C 13 33.852 0.300 . 1 . . . . 34 GLN CG . 11401 1 350 . 1 1 34 34 GLN N N 15 120.003 0.300 . 1 . . . . 34 GLN N . 11401 1 351 . 1 1 34 34 GLN NE2 N 15 112.261 0.300 . 1 . . . . 34 GLN NE2 . 11401 1 352 . 1 1 35 35 GLY H H 1 8.612 0.030 . 1 . . . . 35 GLY H . 11401 1 353 . 1 1 35 35 GLY HA2 H 1 4.644 0.030 . 2 . . . . 35 GLY HA2 . 11401 1 354 . 1 1 35 35 GLY HA3 H 1 3.667 0.030 . 2 . . . . 35 GLY HA3 . 11401 1 355 . 1 1 35 35 GLY C C 13 170.826 0.300 . 1 . . . . 35 GLY C . 11401 1 356 . 1 1 35 35 GLY CA C 13 44.741 0.300 . 1 . . . . 35 GLY CA . 11401 1 357 . 1 1 35 35 GLY N N 15 108.607 0.300 . 1 . . . . 35 GLY N . 11401 1 358 . 1 1 36 36 LEU H H 1 8.931 0.030 . 1 . . . . 36 LEU H . 11401 1 359 . 1 1 36 36 LEU HA H 1 5.137 0.030 . 1 . . . . 36 LEU HA . 11401 1 360 . 1 1 36 36 LEU HB2 H 1 0.945 0.030 . 2 . . . . 36 LEU HB2 . 11401 1 361 . 1 1 36 36 LEU HB3 H 1 1.326 0.030 . 2 . . . . 36 LEU HB3 . 11401 1 362 . 1 1 36 36 LEU HD11 H 1 0.539 0.030 . 1 . . . . 36 LEU HD1 . 11401 1 363 . 1 1 36 36 LEU HD12 H 1 0.539 0.030 . 1 . . . . 36 LEU HD1 . 11401 1 364 . 1 1 36 36 LEU HD13 H 1 0.539 0.030 . 1 . . . . 36 LEU HD1 . 11401 1 365 . 1 1 36 36 LEU HD21 H 1 0.268 0.030 . 1 . . . . 36 LEU HD2 . 11401 1 366 . 1 1 36 36 LEU HD22 H 1 0.268 0.030 . 1 . . . . 36 LEU HD2 . 11401 1 367 . 1 1 36 36 LEU HD23 H 1 0.268 0.030 . 1 . . . . 36 LEU HD2 . 11401 1 368 . 1 1 36 36 LEU HG H 1 1.212 0.030 . 1 . . . . 36 LEU HG . 11401 1 369 . 1 1 36 36 LEU C C 13 175.082 0.300 . 1 . . . . 36 LEU C . 11401 1 370 . 1 1 36 36 LEU CA C 13 53.287 0.300 . 1 . . . . 36 LEU CA . 11401 1 371 . 1 1 36 36 LEU CB C 13 45.007 0.300 . 1 . . . . 36 LEU CB . 11401 1 372 . 1 1 36 36 LEU CD1 C 13 22.801 0.300 . 2 . . . . 36 LEU CD1 . 11401 1 373 . 1 1 36 36 LEU CD2 C 13 25.454 0.300 . 2 . . . . 36 LEU CD2 . 11401 1 374 . 1 1 36 36 LEU CG C 13 27.044 0.300 . 1 . . . . 36 LEU CG . 11401 1 375 . 1 1 36 36 LEU N N 15 119.363 0.300 . 1 . . . . 36 LEU N . 11401 1 376 . 1 1 37 37 GLN H H 1 9.061 0.030 . 1 . . . . 37 GLN H . 11401 1 377 . 1 1 37 37 GLN HA H 1 5.735 0.030 . 1 . . . . 37 GLN HA . 11401 1 378 . 1 1 37 37 GLN HB2 H 1 2.178 0.030 . 2 . . . . 37 GLN HB2 . 11401 1 379 . 1 1 37 37 GLN HB3 H 1 2.009 0.030 . 2 . . . . 37 GLN HB3 . 11401 1 380 . 1 1 37 37 GLN HE21 H 1 7.498 0.030 . 2 . . . . 37 GLN HE21 . 11401 1 381 . 1 1 37 37 GLN HE22 H 1 7.012 0.030 . 2 . . . . 37 GLN HE22 . 11401 1 382 . 1 1 37 37 GLN HG2 H 1 2.175 0.030 . 2 . . . . 37 GLN HG2 . 11401 1 383 . 1 1 37 37 GLN C C 13 175.927 0.300 . 1 . . . . 37 GLN C . 11401 1 384 . 1 1 37 37 GLN CA C 13 53.658 0.300 . 1 . . . . 37 GLN CA . 11401 1 385 . 1 1 37 37 GLN CB C 13 33.642 0.300 . 1 . . . . 37 GLN CB . 11401 1 386 . 1 1 37 37 GLN CG C 13 33.715 0.300 . 1 . . . . 37 GLN CG . 11401 1 387 . 1 1 37 37 GLN N N 15 119.221 0.300 . 1 . . . . 37 GLN N . 11401 1 388 . 1 1 37 37 GLN NE2 N 15 111.976 0.300 . 1 . . . . 37 GLN NE2 . 11401 1 389 . 1 1 38 38 CYS H H 1 9.782 0.030 . 1 . . . . 38 CYS H . 11401 1 390 . 1 1 38 38 CYS HA H 1 4.361 0.030 . 1 . . . . 38 CYS HA . 11401 1 391 . 1 1 38 38 CYS HB2 H 1 3.373 0.030 . 2 . . . . 38 CYS HB2 . 11401 1 392 . 1 1 38 38 CYS HB3 H 1 2.302 0.030 . 2 . . . . 38 CYS HB3 . 11401 1 393 . 1 1 38 38 CYS C C 13 177.200 0.300 . 1 . . . . 38 CYS C . 11401 1 394 . 1 1 38 38 CYS CA C 13 59.215 0.300 . 1 . . . . 38 CYS CA . 11401 1 395 . 1 1 38 38 CYS CB C 13 30.422 0.300 . 1 . . . . 38 CYS CB . 11401 1 396 . 1 1 38 38 CYS N N 15 131.611 0.300 . 1 . . . . 38 CYS N . 11401 1 397 . 1 1 39 39 GLN H H 1 9.113 0.030 . 1 . . . . 39 GLN H . 11401 1 398 . 1 1 39 39 GLN HA H 1 4.196 0.030 . 1 . . . . 39 GLN HA . 11401 1 399 . 1 1 39 39 GLN HB2 H 1 2.320 0.030 . 2 . . . . 39 GLN HB2 . 11401 1 400 . 1 1 39 39 GLN HB3 H 1 2.088 0.030 . 2 . . . . 39 GLN HB3 . 11401 1 401 . 1 1 39 39 GLN HE21 H 1 7.250 0.030 . 2 . . . . 39 GLN HE21 . 11401 1 402 . 1 1 39 39 GLN HE22 H 1 7.029 0.030 . 2 . . . . 39 GLN HE22 . 11401 1 403 . 1 1 39 39 GLN HG2 H 1 2.610 0.030 . 2 . . . . 39 GLN HG2 . 11401 1 404 . 1 1 39 39 GLN HG3 H 1 2.552 0.030 . 2 . . . . 39 GLN HG3 . 11401 1 405 . 1 1 39 39 GLN C C 13 175.237 0.300 . 1 . . . . 39 GLN C . 11401 1 406 . 1 1 39 39 GLN CA C 13 58.055 0.300 . 1 . . . . 39 GLN CA . 11401 1 407 . 1 1 39 39 GLN CB C 13 30.523 0.300 . 1 . . . . 39 GLN CB . 11401 1 408 . 1 1 39 39 GLN CG C 13 34.975 0.300 . 1 . . . . 39 GLN CG . 11401 1 409 . 1 1 39 39 GLN N N 15 130.545 0.300 . 1 . . . . 39 GLN N . 11401 1 410 . 1 1 39 39 GLN NE2 N 15 112.409 0.300 . 1 . . . . 39 GLN NE2 . 11401 1 411 . 1 1 40 40 VAL H H 1 9.052 0.030 . 1 . . . . 40 VAL H . 11401 1 412 . 1 1 40 40 VAL HA H 1 4.045 0.030 . 1 . . . . 40 VAL HA . 11401 1 413 . 1 1 40 40 VAL HB H 1 1.951 0.030 . 1 . . . . 40 VAL HB . 11401 1 414 . 1 1 40 40 VAL HG11 H 1 0.937 0.030 . 1 . . . . 40 VAL HG1 . 11401 1 415 . 1 1 40 40 VAL HG12 H 1 0.937 0.030 . 1 . . . . 40 VAL HG1 . 11401 1 416 . 1 1 40 40 VAL HG13 H 1 0.937 0.030 . 1 . . . . 40 VAL HG1 . 11401 1 417 . 1 1 40 40 VAL HG21 H 1 0.779 0.030 . 1 . . . . 40 VAL HG2 . 11401 1 418 . 1 1 40 40 VAL HG22 H 1 0.779 0.030 . 1 . . . . 40 VAL HG2 . 11401 1 419 . 1 1 40 40 VAL HG23 H 1 0.779 0.030 . 1 . . . . 40 VAL HG2 . 11401 1 420 . 1 1 40 40 VAL C C 13 176.627 0.300 . 1 . . . . 40 VAL C . 11401 1 421 . 1 1 40 40 VAL CA C 13 64.571 0.300 . 1 . . . . 40 VAL CA . 11401 1 422 . 1 1 40 40 VAL CB C 13 33.429 0.300 . 1 . . . . 40 VAL CB . 11401 1 423 . 1 1 40 40 VAL CG1 C 13 21.478 0.300 . 2 . . . . 40 VAL CG1 . 11401 1 424 . 1 1 40 40 VAL CG2 C 13 21.496 0.300 . 2 . . . . 40 VAL CG2 . 11401 1 425 . 1 1 40 40 VAL N N 15 120.625 0.300 . 1 . . . . 40 VAL N . 11401 1 426 . 1 1 41 41 CYS H H 1 8.345 0.030 . 1 . . . . 41 CYS H . 11401 1 427 . 1 1 41 41 CYS HA H 1 5.088 0.030 . 1 . . . . 41 CYS HA . 11401 1 428 . 1 1 41 41 CYS HB2 H 1 3.539 0.030 . 2 . . . . 41 CYS HB2 . 11401 1 429 . 1 1 41 41 CYS HB3 H 1 2.670 0.030 . 2 . . . . 41 CYS HB3 . 11401 1 430 . 1 1 41 41 CYS C C 13 176.357 0.300 . 1 . . . . 41 CYS C . 11401 1 431 . 1 1 41 41 CYS CA C 13 59.017 0.300 . 1 . . . . 41 CYS CA . 11401 1 432 . 1 1 41 41 CYS CB C 13 33.290 0.300 . 1 . . . . 41 CYS CB . 11401 1 433 . 1 1 41 41 CYS N N 15 118.950 0.300 . 1 . . . . 41 CYS N . 11401 1 434 . 1 1 42 42 SER H H 1 7.686 0.030 . 1 . . . . 42 SER H . 11401 1 435 . 1 1 42 42 SER HA H 1 4.312 0.030 . 1 . . . . 42 SER HA . 11401 1 436 . 1 1 42 42 SER HB2 H 1 4.082 0.030 . 1 . . . . 42 SER HB2 . 11401 1 437 . 1 1 42 42 SER HB3 H 1 4.082 0.030 . 1 . . . . 42 SER HB3 . 11401 1 438 . 1 1 42 42 SER CA C 13 61.756 0.300 . 1 . . . . 42 SER CA . 11401 1 439 . 1 1 42 42 SER CB C 13 62.213 0.300 . 1 . . . . 42 SER CB . 11401 1 440 . 1 1 42 42 SER N N 15 113.260 0.300 . 1 . . . . 42 SER N . 11401 1 441 . 1 1 43 43 PHE H H 1 8.840 0.030 . 1 . . . . 43 PHE H . 11401 1 442 . 1 1 43 43 PHE HA H 1 4.432 0.030 . 1 . . . . 43 PHE HA . 11401 1 443 . 1 1 43 43 PHE HB2 H 1 3.831 0.030 . 2 . . . . 43 PHE HB2 . 11401 1 444 . 1 1 43 43 PHE HB3 H 1 2.590 0.030 . 2 . . . . 43 PHE HB3 . 11401 1 445 . 1 1 43 43 PHE HD1 H 1 7.067 0.030 . 1 . . . . 43 PHE HD1 . 11401 1 446 . 1 1 43 43 PHE HD2 H 1 7.067 0.030 . 1 . . . . 43 PHE HD2 . 11401 1 447 . 1 1 43 43 PHE HE1 H 1 7.218 0.030 . 1 . . . . 43 PHE HE1 . 11401 1 448 . 1 1 43 43 PHE HE2 H 1 7.218 0.030 . 1 . . . . 43 PHE HE2 . 11401 1 449 . 1 1 43 43 PHE HZ H 1 7.435 0.030 . 1 . . . . 43 PHE HZ . 11401 1 450 . 1 1 43 43 PHE CA C 13 60.651 0.300 . 1 . . . . 43 PHE CA . 11401 1 451 . 1 1 43 43 PHE CB C 13 41.402 0.300 . 1 . . . . 43 PHE CB . 11401 1 452 . 1 1 43 43 PHE CD1 C 13 131.983 0.300 . 1 . . . . 43 PHE CD1 . 11401 1 453 . 1 1 43 43 PHE CD2 C 13 131.983 0.300 . 1 . . . . 43 PHE CD2 . 11401 1 454 . 1 1 43 43 PHE CE1 C 13 131.983 0.300 . 1 . . . . 43 PHE CE1 . 11401 1 455 . 1 1 43 43 PHE CE2 C 13 131.983 0.300 . 1 . . . . 43 PHE CE2 . 11401 1 456 . 1 1 43 43 PHE CZ C 13 129.983 0.300 . 1 . . . . 43 PHE CZ . 11401 1 457 . 1 1 43 43 PHE N N 15 126.541 0.300 . 1 . . . . 43 PHE N . 11401 1 458 . 1 1 44 44 VAL H H 1 8.079 0.030 . 1 . . . . 44 VAL H . 11401 1 459 . 1 1 44 44 VAL HA H 1 5.311 0.030 . 1 . . . . 44 VAL HA . 11401 1 460 . 1 1 44 44 VAL HB H 1 1.886 0.030 . 1 . . . . 44 VAL HB . 11401 1 461 . 1 1 44 44 VAL HG11 H 1 0.969 0.030 . 1 . . . . 44 VAL HG1 . 11401 1 462 . 1 1 44 44 VAL HG12 H 1 0.969 0.030 . 1 . . . . 44 VAL HG1 . 11401 1 463 . 1 1 44 44 VAL HG13 H 1 0.969 0.030 . 1 . . . . 44 VAL HG1 . 11401 1 464 . 1 1 44 44 VAL HG21 H 1 0.732 0.030 . 1 . . . . 44 VAL HG2 . 11401 1 465 . 1 1 44 44 VAL HG22 H 1 0.732 0.030 . 1 . . . . 44 VAL HG2 . 11401 1 466 . 1 1 44 44 VAL HG23 H 1 0.732 0.030 . 1 . . . . 44 VAL HG2 . 11401 1 467 . 1 1 44 44 VAL C C 13 174.455 0.300 . 1 . . . . 44 VAL C . 11401 1 468 . 1 1 44 44 VAL CA C 13 60.494 0.300 . 1 . . . . 44 VAL CA . 11401 1 469 . 1 1 44 44 VAL CB C 13 34.489 0.300 . 1 . . . . 44 VAL CB . 11401 1 470 . 1 1 44 44 VAL CG1 C 13 21.899 0.300 . 2 . . . . 44 VAL CG1 . 11401 1 471 . 1 1 44 44 VAL CG2 C 13 22.374 0.300 . 2 . . . . 44 VAL CG2 . 11401 1 472 . 1 1 44 44 VAL N N 15 126.760 0.300 . 1 . . . . 44 VAL N . 11401 1 473 . 1 1 45 45 VAL H H 1 8.733 0.030 . 1 . . . . 45 VAL H . 11401 1 474 . 1 1 45 45 VAL HA H 1 5.981 0.030 . 1 . . . . 45 VAL HA . 11401 1 475 . 1 1 45 45 VAL HB H 1 2.118 0.030 . 1 . . . . 45 VAL HB . 11401 1 476 . 1 1 45 45 VAL HG11 H 1 0.666 0.030 . 1 . . . . 45 VAL HG1 . 11401 1 477 . 1 1 45 45 VAL HG12 H 1 0.666 0.030 . 1 . . . . 45 VAL HG1 . 11401 1 478 . 1 1 45 45 VAL HG13 H 1 0.666 0.030 . 1 . . . . 45 VAL HG1 . 11401 1 479 . 1 1 45 45 VAL HG21 H 1 0.549 0.030 . 1 . . . . 45 VAL HG2 . 11401 1 480 . 1 1 45 45 VAL HG22 H 1 0.549 0.030 . 1 . . . . 45 VAL HG2 . 11401 1 481 . 1 1 45 45 VAL HG23 H 1 0.549 0.030 . 1 . . . . 45 VAL HG2 . 11401 1 482 . 1 1 45 45 VAL C C 13 175.833 0.300 . 1 . . . . 45 VAL C . 11401 1 483 . 1 1 45 45 VAL CA C 13 57.733 0.300 . 1 . . . . 45 VAL CA . 11401 1 484 . 1 1 45 45 VAL CB C 13 37.201 0.300 . 1 . . . . 45 VAL CB . 11401 1 485 . 1 1 45 45 VAL CG1 C 13 23.380 0.300 . 2 . . . . 45 VAL CG1 . 11401 1 486 . 1 1 45 45 VAL CG2 C 13 20.195 0.300 . 2 . . . . 45 VAL CG2 . 11401 1 487 . 1 1 45 45 VAL N N 15 117.043 0.300 . 1 . . . . 45 VAL N . 11401 1 488 . 1 1 46 46 HIS H H 1 8.502 0.030 . 1 . . . . 46 HIS H . 11401 1 489 . 1 1 46 46 HIS HA H 1 4.602 0.030 . 1 . . . . 46 HIS HA . 11401 1 490 . 1 1 46 46 HIS HB2 H 1 3.768 0.030 . 2 . . . . 46 HIS HB2 . 11401 1 491 . 1 1 46 46 HIS HB3 H 1 3.716 0.030 . 2 . . . . 46 HIS HB3 . 11401 1 492 . 1 1 46 46 HIS HD2 H 1 7.513 0.030 . 1 . . . . 46 HIS HD2 . 11401 1 493 . 1 1 46 46 HIS HE1 H 1 7.202 0.030 . 1 . . . . 46 HIS HE1 . 11401 1 494 . 1 1 46 46 HIS C C 13 178.308 0.300 . 1 . . . . 46 HIS C . 11401 1 495 . 1 1 46 46 HIS CA C 13 59.430 0.300 . 1 . . . . 46 HIS CA . 11401 1 496 . 1 1 46 46 HIS CB C 13 31.977 0.300 . 1 . . . . 46 HIS CB . 11401 1 497 . 1 1 46 46 HIS CD2 C 13 119.495 0.300 . 1 . . . . 46 HIS CD2 . 11401 1 498 . 1 1 46 46 HIS CE1 C 13 138.983 0.300 . 1 . . . . 46 HIS CE1 . 11401 1 499 . 1 1 46 46 HIS N N 15 120.406 0.300 . 1 . . . . 46 HIS N . 11401 1 500 . 1 1 47 47 ARG H H 1 9.236 0.030 . 1 . . . . 47 ARG H . 11401 1 501 . 1 1 47 47 ARG HA H 1 3.869 0.030 . 1 . . . . 47 ARG HA . 11401 1 502 . 1 1 47 47 ARG HB2 H 1 1.992 0.030 . 2 . . . . 47 ARG HB2 . 11401 1 503 . 1 1 47 47 ARG HB3 H 1 1.870 0.030 . 2 . . . . 47 ARG HB3 . 11401 1 504 . 1 1 47 47 ARG HD2 H 1 3.216 0.030 . 1 . . . . 47 ARG HD2 . 11401 1 505 . 1 1 47 47 ARG HD3 H 1 3.216 0.030 . 1 . . . . 47 ARG HD3 . 11401 1 506 . 1 1 47 47 ARG HG2 H 1 1.643 0.030 . 2 . . . . 47 ARG HG2 . 11401 1 507 . 1 1 47 47 ARG HG3 H 1 1.582 0.030 . 2 . . . . 47 ARG HG3 . 11401 1 508 . 1 1 47 47 ARG CA C 13 61.134 0.300 . 1 . . . . 47 ARG CA . 11401 1 509 . 1 1 47 47 ARG CB C 13 29.233 0.300 . 1 . . . . 47 ARG CB . 11401 1 510 . 1 1 47 47 ARG CD C 13 43.316 0.300 . 1 . . . . 47 ARG CD . 11401 1 511 . 1 1 47 47 ARG CG C 13 28.106 0.300 . 1 . . . . 47 ARG CG . 11401 1 512 . 1 1 47 47 ARG N N 15 124.428 0.300 . 1 . . . . 47 ARG N . 11401 1 513 . 1 1 48 48 ARG HA H 1 4.364 0.030 . 1 . . . . 48 ARG HA . 11401 1 514 . 1 1 48 48 ARG HB2 H 1 2.001 0.030 . 2 . . . . 48 ARG HB2 . 11401 1 515 . 1 1 48 48 ARG HB3 H 1 1.903 0.030 . 2 . . . . 48 ARG HB3 . 11401 1 516 . 1 1 48 48 ARG HD2 H 1 3.136 0.030 . 1 . . . . 48 ARG HD2 . 11401 1 517 . 1 1 48 48 ARG HD3 H 1 3.136 0.030 . 1 . . . . 48 ARG HD3 . 11401 1 518 . 1 1 48 48 ARG HG2 H 1 1.856 0.030 . 2 . . . . 48 ARG HG2 . 11401 1 519 . 1 1 48 48 ARG HG3 H 1 1.669 0.030 . 2 . . . . 48 ARG HG3 . 11401 1 520 . 1 1 48 48 ARG C C 13 176.661 0.300 . 1 . . . . 48 ARG C . 11401 1 521 . 1 1 48 48 ARG CA C 13 58.265 0.300 . 1 . . . . 48 ARG CA . 11401 1 522 . 1 1 48 48 ARG CB C 13 29.223 0.300 . 1 . . . . 48 ARG CB . 11401 1 523 . 1 1 48 48 ARG CD C 13 43.416 0.300 . 1 . . . . 48 ARG CD . 11401 1 524 . 1 1 48 48 ARG CG C 13 27.619 0.300 . 1 . . . . 48 ARG CG . 11401 1 525 . 1 1 49 49 CYS H H 1 7.210 0.030 . 1 . . . . 49 CYS H . 11401 1 526 . 1 1 49 49 CYS HA H 1 4.468 0.030 . 1 . . . . 49 CYS HA . 11401 1 527 . 1 1 49 49 CYS HB2 H 1 3.214 0.030 . 2 . . . . 49 CYS HB2 . 11401 1 528 . 1 1 49 49 CYS HB3 H 1 3.042 0.030 . 2 . . . . 49 CYS HB3 . 11401 1 529 . 1 1 49 49 CYS C C 13 175.961 0.300 . 1 . . . . 49 CYS C . 11401 1 530 . 1 1 49 49 CYS CA C 13 61.691 0.300 . 1 . . . . 49 CYS CA . 11401 1 531 . 1 1 49 49 CYS CB C 13 31.124 0.300 . 1 . . . . 49 CYS CB . 11401 1 532 . 1 1 49 49 CYS N N 15 118.320 0.300 . 1 . . . . 49 CYS N . 11401 1 533 . 1 1 50 50 HIS H H 1 7.238 0.030 . 1 . . . . 50 HIS H . 11401 1 534 . 1 1 50 50 HIS HA H 1 3.771 0.030 . 1 . . . . 50 HIS HA . 11401 1 535 . 1 1 50 50 HIS HB2 H 1 2.939 0.030 . 2 . . . . 50 HIS HB2 . 11401 1 536 . 1 1 50 50 HIS HB3 H 1 2.800 0.030 . 2 . . . . 50 HIS HB3 . 11401 1 537 . 1 1 50 50 HIS HD2 H 1 6.415 0.030 . 1 . . . . 50 HIS HD2 . 11401 1 538 . 1 1 50 50 HIS HE1 H 1 7.674 0.030 . 1 . . . . 50 HIS HE1 . 11401 1 539 . 1 1 50 50 HIS C C 13 176.184 0.300 . 1 . . . . 50 HIS C . 11401 1 540 . 1 1 50 50 HIS CA C 13 60.122 0.300 . 1 . . . . 50 HIS CA . 11401 1 541 . 1 1 50 50 HIS CB C 13 30.844 0.300 . 1 . . . . 50 HIS CB . 11401 1 542 . 1 1 50 50 HIS CD2 C 13 121.983 0.300 . 1 . . . . 50 HIS CD2 . 11401 1 543 . 1 1 50 50 HIS CE1 C 13 138.787 0.300 . 1 . . . . 50 HIS CE1 . 11401 1 544 . 1 1 50 50 HIS N N 15 119.146 0.300 . 1 . . . . 50 HIS N . 11401 1 545 . 1 1 51 51 GLU H H 1 8.195 0.030 . 1 . . . . 51 GLU H . 11401 1 546 . 1 1 51 51 GLU HA H 1 3.730 0.030 . 1 . . . . 51 GLU HA . 11401 1 547 . 1 1 51 51 GLU HB2 H 1 1.508 0.030 . 2 . . . . 51 GLU HB2 . 11401 1 548 . 1 1 51 51 GLU HB3 H 1 1.365 0.030 . 2 . . . . 51 GLU HB3 . 11401 1 549 . 1 1 51 51 GLU HG2 H 1 1.160 0.030 . 2 . . . . 51 GLU HG2 . 11401 1 550 . 1 1 51 51 GLU HG3 H 1 1.465 0.030 . 2 . . . . 51 GLU HG3 . 11401 1 551 . 1 1 51 51 GLU C C 13 175.899 0.300 . 1 . . . . 51 GLU C . 11401 1 552 . 1 1 51 51 GLU CA C 13 57.711 0.300 . 1 . . . . 51 GLU CA . 11401 1 553 . 1 1 51 51 GLU CB C 13 29.046 0.300 . 1 . . . . 51 GLU CB . 11401 1 554 . 1 1 51 51 GLU CG C 13 35.502 0.300 . 1 . . . . 51 GLU CG . 11401 1 555 . 1 1 51 51 GLU N N 15 115.566 0.300 . 1 . . . . 51 GLU N . 11401 1 556 . 1 1 52 52 PHE H H 1 7.314 0.030 . 1 . . . . 52 PHE H . 11401 1 557 . 1 1 52 52 PHE HA H 1 4.544 0.030 . 1 . . . . 52 PHE HA . 11401 1 558 . 1 1 52 52 PHE HB2 H 1 3.404 0.030 . 2 . . . . 52 PHE HB2 . 11401 1 559 . 1 1 52 52 PHE HB3 H 1 2.264 0.030 . 2 . . . . 52 PHE HB3 . 11401 1 560 . 1 1 52 52 PHE HD1 H 1 7.190 0.030 . 1 . . . . 52 PHE HD1 . 11401 1 561 . 1 1 52 52 PHE HD2 H 1 7.190 0.030 . 1 . . . . 52 PHE HD2 . 11401 1 562 . 1 1 52 52 PHE HE1 H 1 7.387 0.030 . 1 . . . . 52 PHE HE1 . 11401 1 563 . 1 1 52 52 PHE HE2 H 1 7.387 0.030 . 1 . . . . 52 PHE HE2 . 11401 1 564 . 1 1 52 52 PHE C C 13 174.929 0.300 . 1 . . . . 52 PHE C . 11401 1 565 . 1 1 52 52 PHE CA C 13 56.728 0.300 . 1 . . . . 52 PHE CA . 11401 1 566 . 1 1 52 52 PHE CB C 13 39.552 0.300 . 1 . . . . 52 PHE CB . 11401 1 567 . 1 1 52 52 PHE CD1 C 13 131.483 0.300 . 1 . . . . 52 PHE CD1 . 11401 1 568 . 1 1 52 52 PHE CD2 C 13 131.483 0.300 . 1 . . . . 52 PHE CD2 . 11401 1 569 . 1 1 52 52 PHE CE1 C 13 131.733 0.300 . 1 . . . . 52 PHE CE1 . 11401 1 570 . 1 1 52 52 PHE CE2 C 13 131.733 0.300 . 1 . . . . 52 PHE CE2 . 11401 1 571 . 1 1 52 52 PHE N N 15 116.422 0.300 . 1 . . . . 52 PHE N . 11401 1 572 . 1 1 53 53 VAL H H 1 6.863 0.030 . 1 . . . . 53 VAL H . 11401 1 573 . 1 1 53 53 VAL HA H 1 3.924 0.030 . 1 . . . . 53 VAL HA . 11401 1 574 . 1 1 53 53 VAL HB H 1 2.168 0.030 . 1 . . . . 53 VAL HB . 11401 1 575 . 1 1 53 53 VAL HG11 H 1 1.200 0.030 . 1 . . . . 53 VAL HG1 . 11401 1 576 . 1 1 53 53 VAL HG12 H 1 1.200 0.030 . 1 . . . . 53 VAL HG1 . 11401 1 577 . 1 1 53 53 VAL HG13 H 1 1.200 0.030 . 1 . . . . 53 VAL HG1 . 11401 1 578 . 1 1 53 53 VAL HG21 H 1 1.130 0.030 . 1 . . . . 53 VAL HG2 . 11401 1 579 . 1 1 53 53 VAL HG22 H 1 1.130 0.030 . 1 . . . . 53 VAL HG2 . 11401 1 580 . 1 1 53 53 VAL HG23 H 1 1.130 0.030 . 1 . . . . 53 VAL HG2 . 11401 1 581 . 1 1 53 53 VAL C C 13 176.810 0.300 . 1 . . . . 53 VAL C . 11401 1 582 . 1 1 53 53 VAL CA C 13 63.738 0.300 . 1 . . . . 53 VAL CA . 11401 1 583 . 1 1 53 53 VAL CB C 13 32.749 0.300 . 1 . . . . 53 VAL CB . 11401 1 584 . 1 1 53 53 VAL CG1 C 13 23.983 0.300 . 2 . . . . 53 VAL CG1 . 11401 1 585 . 1 1 53 53 VAL CG2 C 13 22.563 0.300 . 2 . . . . 53 VAL CG2 . 11401 1 586 . 1 1 53 53 VAL N N 15 118.466 0.300 . 1 . . . . 53 VAL N . 11401 1 587 . 1 1 54 54 THR H H 1 9.126 0.030 . 1 . . . . 54 THR H . 11401 1 588 . 1 1 54 54 THR HA H 1 4.518 0.030 . 1 . . . . 54 THR HA . 11401 1 589 . 1 1 54 54 THR HB H 1 4.469 0.030 . 1 . . . . 54 THR HB . 11401 1 590 . 1 1 54 54 THR HG21 H 1 1.341 0.030 . 1 . . . . 54 THR HG2 . 11401 1 591 . 1 1 54 54 THR HG22 H 1 1.341 0.030 . 1 . . . . 54 THR HG2 . 11401 1 592 . 1 1 54 54 THR HG23 H 1 1.341 0.030 . 1 . . . . 54 THR HG2 . 11401 1 593 . 1 1 54 54 THR C C 13 174.537 0.300 . 1 . . . . 54 THR C . 11401 1 594 . 1 1 54 54 THR CA C 13 61.430 0.300 . 1 . . . . 54 THR CA . 11401 1 595 . 1 1 54 54 THR CB C 13 70.169 0.300 . 1 . . . . 54 THR CB . 11401 1 596 . 1 1 54 54 THR CG2 C 13 21.647 0.300 . 1 . . . . 54 THR CG2 . 11401 1 597 . 1 1 54 54 THR N N 15 117.670 0.300 . 1 . . . . 54 THR N . 11401 1 598 . 1 1 55 55 PHE H H 1 7.483 0.030 . 1 . . . . 55 PHE H . 11401 1 599 . 1 1 55 55 PHE HA H 1 4.620 0.030 . 1 . . . . 55 PHE HA . 11401 1 600 . 1 1 55 55 PHE HB2 H 1 3.251 0.030 . 2 . . . . 55 PHE HB2 . 11401 1 601 . 1 1 55 55 PHE HB3 H 1 2.737 0.030 . 2 . . . . 55 PHE HB3 . 11401 1 602 . 1 1 55 55 PHE HD1 H 1 6.919 0.030 . 1 . . . . 55 PHE HD1 . 11401 1 603 . 1 1 55 55 PHE HD2 H 1 6.919 0.030 . 1 . . . . 55 PHE HD2 . 11401 1 604 . 1 1 55 55 PHE HE1 H 1 7.376 0.030 . 1 . . . . 55 PHE HE1 . 11401 1 605 . 1 1 55 55 PHE HE2 H 1 7.376 0.030 . 1 . . . . 55 PHE HE2 . 11401 1 606 . 1 1 55 55 PHE HZ H 1 7.251 0.030 . 1 . . . . 55 PHE HZ . 11401 1 607 . 1 1 55 55 PHE C C 13 174.867 0.300 . 1 . . . . 55 PHE C . 11401 1 608 . 1 1 55 55 PHE CA C 13 57.345 0.300 . 1 . . . . 55 PHE CA . 11401 1 609 . 1 1 55 55 PHE CB C 13 39.845 0.300 . 1 . . . . 55 PHE CB . 11401 1 610 . 1 1 55 55 PHE CD1 C 13 132.233 0.300 . 1 . . . . 55 PHE CD1 . 11401 1 611 . 1 1 55 55 PHE CD2 C 13 132.233 0.300 . 1 . . . . 55 PHE CD2 . 11401 1 612 . 1 1 55 55 PHE CE1 C 13 131.483 0.300 . 1 . . . . 55 PHE CE1 . 11401 1 613 . 1 1 55 55 PHE CE2 C 13 131.483 0.300 . 1 . . . . 55 PHE CE2 . 11401 1 614 . 1 1 55 55 PHE CZ C 13 129.733 0.300 . 1 . . . . 55 PHE CZ . 11401 1 615 . 1 1 55 55 PHE N N 15 124.858 0.300 . 1 . . . . 55 PHE N . 11401 1 616 . 1 1 56 56 GLU H H 1 8.471 0.030 . 1 . . . . 56 GLU H . 11401 1 617 . 1 1 56 56 GLU HA H 1 3.999 0.030 . 1 . . . . 56 GLU HA . 11401 1 618 . 1 1 56 56 GLU HB2 H 1 1.657 0.030 . 1 . . . . 56 GLU HB2 . 11401 1 619 . 1 1 56 56 GLU HB3 H 1 1.657 0.030 . 1 . . . . 56 GLU HB3 . 11401 1 620 . 1 1 56 56 GLU HG2 H 1 2.021 0.030 . 2 . . . . 56 GLU HG2 . 11401 1 621 . 1 1 56 56 GLU HG3 H 1 2.131 0.030 . 2 . . . . 56 GLU HG3 . 11401 1 622 . 1 1 56 56 GLU C C 13 174.565 0.300 . 1 . . . . 56 GLU C . 11401 1 623 . 1 1 56 56 GLU CA C 13 55.695 0.300 . 1 . . . . 56 GLU CA . 11401 1 624 . 1 1 56 56 GLU CB C 13 30.125 0.300 . 1 . . . . 56 GLU CB . 11401 1 625 . 1 1 56 56 GLU CG C 13 36.473 0.300 . 1 . . . . 56 GLU CG . 11401 1 626 . 1 1 56 56 GLU N N 15 129.717 0.300 . 1 . . . . 56 GLU N . 11401 1 627 . 1 1 57 57 CYS H H 1 7.736 0.030 . 1 . . . . 57 CYS H . 11401 1 628 . 1 1 57 57 CYS HA H 1 3.655 0.030 . 1 . . . . 57 CYS HA . 11401 1 629 . 1 1 57 57 CYS HB2 H 1 2.186 0.030 . 2 . . . . 57 CYS HB2 . 11401 1 630 . 1 1 57 57 CYS HB3 H 1 1.031 0.030 . 2 . . . . 57 CYS HB3 . 11401 1 631 . 1 1 57 57 CYS C C 13 175.662 0.300 . 1 . . . . 57 CYS C . 11401 1 632 . 1 1 57 57 CYS CA C 13 58.249 0.300 . 1 . . . . 57 CYS CA . 11401 1 633 . 1 1 57 57 CYS CB C 13 28.421 0.300 . 1 . . . . 57 CYS CB . 11401 1 634 . 1 1 57 57 CYS N N 15 125.067 0.300 . 1 . . . . 57 CYS N . 11401 1 635 . 1 1 58 58 PRO HA H 1 4.408 0.030 . 1 . . . . 58 PRO HA . 11401 1 636 . 1 1 58 58 PRO HB2 H 1 2.253 0.030 . 2 . . . . 58 PRO HB2 . 11401 1 637 . 1 1 58 58 PRO HB3 H 1 2.064 0.030 . 2 . . . . 58 PRO HB3 . 11401 1 638 . 1 1 58 58 PRO HD2 H 1 3.909 0.030 . 2 . . . . 58 PRO HD2 . 11401 1 639 . 1 1 58 58 PRO HD3 H 1 4.434 0.030 . 2 . . . . 58 PRO HD3 . 11401 1 640 . 1 1 58 58 PRO HG2 H 1 2.209 0.030 . 2 . . . . 58 PRO HG2 . 11401 1 641 . 1 1 58 58 PRO HG3 H 1 2.131 0.030 . 2 . . . . 58 PRO HG3 . 11401 1 642 . 1 1 58 58 PRO C C 13 177.040 0.300 . 1 . . . . 58 PRO C . 11401 1 643 . 1 1 58 58 PRO CA C 13 63.695 0.300 . 1 . . . . 58 PRO CA . 11401 1 644 . 1 1 58 58 PRO CB C 13 32.313 0.300 . 1 . . . . 58 PRO CB . 11401 1 645 . 1 1 58 58 PRO CD C 13 51.664 0.300 . 1 . . . . 58 PRO CD . 11401 1 646 . 1 1 58 58 PRO CG C 13 26.916 0.300 . 1 . . . . 58 PRO CG . 11401 1 647 . 1 1 59 59 GLY H H 1 8.008 0.030 . 1 . . . . 59 GLY H . 11401 1 648 . 1 1 59 59 GLY HA2 H 1 3.960 0.030 . 2 . . . . 59 GLY HA2 . 11401 1 649 . 1 1 59 59 GLY HA3 H 1 3.750 0.030 . 2 . . . . 59 GLY HA3 . 11401 1 650 . 1 1 59 59 GLY C C 13 172.756 0.300 . 1 . . . . 59 GLY C . 11401 1 651 . 1 1 59 59 GLY CA C 13 44.515 0.300 . 1 . . . . 59 GLY CA . 11401 1 652 . 1 1 59 59 GLY N N 15 108.409 0.300 . 1 . . . . 59 GLY N . 11401 1 653 . 1 1 60 60 ALA H H 1 7.986 0.030 . 1 . . . . 60 ALA H . 11401 1 654 . 1 1 60 60 ALA HA H 1 4.252 0.030 . 1 . . . . 60 ALA HA . 11401 1 655 . 1 1 60 60 ALA HB1 H 1 1.368 0.030 . 1 . . . . 60 ALA HB . 11401 1 656 . 1 1 60 60 ALA HB2 H 1 1.368 0.030 . 1 . . . . 60 ALA HB . 11401 1 657 . 1 1 60 60 ALA HB3 H 1 1.368 0.030 . 1 . . . . 60 ALA HB . 11401 1 658 . 1 1 60 60 ALA C C 13 178.382 0.300 . 1 . . . . 60 ALA C . 11401 1 659 . 1 1 60 60 ALA CA C 13 52.538 0.300 . 1 . . . . 60 ALA CA . 11401 1 660 . 1 1 60 60 ALA CB C 13 19.467 0.300 . 1 . . . . 60 ALA CB . 11401 1 661 . 1 1 60 60 ALA N N 15 121.894 0.300 . 1 . . . . 60 ALA N . 11401 1 662 . 1 1 61 61 GLY H H 1 8.404 0.030 . 1 . . . . 61 GLY H . 11401 1 663 . 1 1 61 61 GLY HA2 H 1 3.941 0.030 . 1 . . . . 61 GLY HA2 . 11401 1 664 . 1 1 61 61 GLY HA3 H 1 3.941 0.030 . 1 . . . . 61 GLY HA3 . 11401 1 665 . 1 1 61 61 GLY C C 13 174.232 0.300 . 1 . . . . 61 GLY C . 11401 1 666 . 1 1 61 61 GLY CA C 13 45.531 0.300 . 1 . . . . 61 GLY CA . 11401 1 667 . 1 1 61 61 GLY N N 15 108.177 0.300 . 1 . . . . 61 GLY N . 11401 1 668 . 1 1 62 62 LYS H H 1 8.160 0.030 . 1 . . . . 62 LYS H . 11401 1 669 . 1 1 62 62 LYS HA H 1 4.421 0.030 . 1 . . . . 62 LYS HA . 11401 1 670 . 1 1 62 62 LYS HB2 H 1 1.898 0.030 . 2 . . . . 62 LYS HB2 . 11401 1 671 . 1 1 62 62 LYS HB3 H 1 1.719 0.030 . 2 . . . . 62 LYS HB3 . 11401 1 672 . 1 1 62 62 LYS HD2 H 1 1.665 0.030 . 1 . . . . 62 LYS HD2 . 11401 1 673 . 1 1 62 62 LYS HD3 H 1 1.665 0.030 . 1 . . . . 62 LYS HD3 . 11401 1 674 . 1 1 62 62 LYS HE2 H 1 2.993 0.030 . 1 . . . . 62 LYS HE2 . 11401 1 675 . 1 1 62 62 LYS HE3 H 1 2.993 0.030 . 1 . . . . 62 LYS HE3 . 11401 1 676 . 1 1 62 62 LYS HG2 H 1 1.446 0.030 . 2 . . . . 62 LYS HG2 . 11401 1 677 . 1 1 62 62 LYS HG3 H 1 1.377 0.030 . 2 . . . . 62 LYS HG3 . 11401 1 678 . 1 1 62 62 LYS C C 13 176.800 0.300 . 1 . . . . 62 LYS C . 11401 1 679 . 1 1 62 62 LYS CA C 13 55.923 0.300 . 1 . . . . 62 LYS CA . 11401 1 680 . 1 1 62 62 LYS CB C 13 33.220 0.300 . 1 . . . . 62 LYS CB . 11401 1 681 . 1 1 62 62 LYS CD C 13 28.873 0.300 . 1 . . . . 62 LYS CD . 11401 1 682 . 1 1 62 62 LYS CE C 13 42.181 0.300 . 1 . . . . 62 LYS CE . 11401 1 683 . 1 1 62 62 LYS CG C 13 24.700 0.300 . 1 . . . . 62 LYS CG . 11401 1 684 . 1 1 62 62 LYS N N 15 120.375 0.300 . 1 . . . . 62 LYS N . 11401 1 685 . 1 1 63 63 GLY H H 1 8.320 0.030 . 1 . . . . 63 GLY H . 11401 1 686 . 1 1 63 63 GLY HA2 H 1 4.085 0.030 . 2 . . . . 63 GLY HA2 . 11401 1 687 . 1 1 63 63 GLY HA3 H 1 4.142 0.030 . 2 . . . . 63 GLY HA3 . 11401 1 688 . 1 1 63 63 GLY C C 13 171.797 0.300 . 1 . . . . 63 GLY C . 11401 1 689 . 1 1 63 63 GLY CA C 13 44.579 0.300 . 1 . . . . 63 GLY CA . 11401 1 690 . 1 1 63 63 GLY N N 15 109.864 0.300 . 1 . . . . 63 GLY N . 11401 1 691 . 1 1 64 64 PRO HA H 1 4.442 0.030 . 1 . . . . 64 PRO HA . 11401 1 692 . 1 1 64 64 PRO HB2 H 1 1.931 0.030 . 2 . . . . 64 PRO HB2 . 11401 1 693 . 1 1 64 64 PRO HB3 H 1 2.270 0.030 . 2 . . . . 64 PRO HB3 . 11401 1 694 . 1 1 64 64 PRO HD2 H 1 3.636 0.030 . 1 . . . . 64 PRO HD2 . 11401 1 695 . 1 1 64 64 PRO HD3 H 1 3.636 0.030 . 1 . . . . 64 PRO HD3 . 11401 1 696 . 1 1 64 64 PRO HG2 H 1 2.009 0.030 . 1 . . . . 64 PRO HG2 . 11401 1 697 . 1 1 64 64 PRO HG3 H 1 2.009 0.030 . 1 . . . . 64 PRO HG3 . 11401 1 698 . 1 1 64 64 PRO C C 13 177.191 0.300 . 1 . . . . 64 PRO C . 11401 1 699 . 1 1 64 64 PRO CA C 13 63.278 0.300 . 1 . . . . 64 PRO CA . 11401 1 700 . 1 1 64 64 PRO CB C 13 32.137 0.300 . 1 . . . . 64 PRO CB . 11401 1 701 . 1 1 64 64 PRO CD C 13 49.806 0.300 . 1 . . . . 64 PRO CD . 11401 1 702 . 1 1 64 64 PRO CG C 13 27.241 0.300 . 1 . . . . 64 PRO CG . 11401 1 703 . 1 1 65 65 GLN H H 1 8.624 0.030 . 1 . . . . 65 GLN H . 11401 1 704 . 1 1 65 65 GLN HA H 1 4.410 0.030 . 1 . . . . 65 GLN HA . 11401 1 705 . 1 1 65 65 GLN HB2 H 1 2.165 0.030 . 2 . . . . 65 GLN HB2 . 11401 1 706 . 1 1 65 65 GLN HB3 H 1 2.015 0.030 . 2 . . . . 65 GLN HB3 . 11401 1 707 . 1 1 65 65 GLN HG2 H 1 2.403 0.030 . 1 . . . . 65 GLN HG2 . 11401 1 708 . 1 1 65 65 GLN HG3 H 1 2.403 0.030 . 1 . . . . 65 GLN HG3 . 11401 1 709 . 1 1 65 65 GLN C C 13 176.301 0.300 . 1 . . . . 65 GLN C . 11401 1 710 . 1 1 65 65 GLN CA C 13 55.774 0.300 . 1 . . . . 65 GLN CA . 11401 1 711 . 1 1 65 65 GLN CB C 13 29.370 0.300 . 1 . . . . 65 GLN CB . 11401 1 712 . 1 1 65 65 GLN CG C 13 33.861 0.300 . 1 . . . . 65 GLN CG . 11401 1 713 . 1 1 65 65 GLN N N 15 120.835 0.300 . 1 . . . . 65 GLN N . 11401 1 714 . 1 1 66 66 THR H H 1 8.179 0.030 . 1 . . . . 66 THR H . 11401 1 715 . 1 1 66 66 THR HA H 1 4.300 0.030 . 1 . . . . 66 THR HA . 11401 1 716 . 1 1 66 66 THR HB H 1 4.220 0.030 . 1 . . . . 66 THR HB . 11401 1 717 . 1 1 66 66 THR HG21 H 1 1.185 0.030 . 1 . . . . 66 THR HG2 . 11401 1 718 . 1 1 66 66 THR HG22 H 1 1.185 0.030 . 1 . . . . 66 THR HG2 . 11401 1 719 . 1 1 66 66 THR HG23 H 1 1.185 0.030 . 1 . . . . 66 THR HG2 . 11401 1 720 . 1 1 66 66 THR C C 13 174.088 0.300 . 1 . . . . 66 THR C . 11401 1 721 . 1 1 66 66 THR CA C 13 62.050 0.300 . 1 . . . . 66 THR CA . 11401 1 722 . 1 1 66 66 THR CB C 13 69.797 0.300 . 1 . . . . 66 THR CB . 11401 1 723 . 1 1 66 66 THR CG2 C 13 21.547 0.300 . 1 . . . . 66 THR CG2 . 11401 1 724 . 1 1 66 66 THR N N 15 115.158 0.300 . 1 . . . . 66 THR N . 11401 1 725 . 1 1 67 67 ASP H H 1 8.345 0.030 . 1 . . . . 67 ASP H . 11401 1 726 . 1 1 67 67 ASP HA H 1 4.611 0.030 . 1 . . . . 67 ASP HA . 11401 1 727 . 1 1 67 67 ASP HB2 H 1 2.654 0.030 . 2 . . . . 67 ASP HB2 . 11401 1 728 . 1 1 67 67 ASP HB3 H 1 2.588 0.030 . 2 . . . . 67 ASP HB3 . 11401 1 729 . 1 1 67 67 ASP C C 13 175.286 0.300 . 1 . . . . 67 ASP C . 11401 1 730 . 1 1 67 67 ASP CA C 13 54.079 0.300 . 1 . . . . 67 ASP CA . 11401 1 731 . 1 1 67 67 ASP CB C 13 41.238 0.300 . 1 . . . . 67 ASP CB . 11401 1 732 . 1 1 67 67 ASP N N 15 122.337 0.300 . 1 . . . . 67 ASP N . 11401 1 733 . 1 1 68 68 ASP H H 1 8.127 0.030 . 1 . . . . 68 ASP H . 11401 1 734 . 1 1 68 68 ASP HA H 1 4.828 0.030 . 1 . . . . 68 ASP HA . 11401 1 735 . 1 1 68 68 ASP HB2 H 1 2.817 0.030 . 2 . . . . 68 ASP HB2 . 11401 1 736 . 1 1 68 68 ASP HB3 H 1 2.584 0.030 . 2 . . . . 68 ASP HB3 . 11401 1 737 . 1 1 68 68 ASP C C 13 175.382 0.300 . 1 . . . . 68 ASP C . 11401 1 738 . 1 1 68 68 ASP CA C 13 51.924 0.300 . 1 . . . . 68 ASP CA . 11401 1 739 . 1 1 68 68 ASP CB C 13 41.967 0.300 . 1 . . . . 68 ASP CB . 11401 1 740 . 1 1 68 68 ASP N N 15 122.310 0.300 . 1 . . . . 68 ASP N . 11401 1 741 . 1 1 69 69 PRO HA H 1 4.357 0.030 . 1 . . . . 69 PRO HA . 11401 1 742 . 1 1 69 69 PRO HB2 H 1 2.326 0.030 . 2 . . . . 69 PRO HB2 . 11401 1 743 . 1 1 69 69 PRO HB3 H 1 1.982 0.030 . 2 . . . . 69 PRO HB3 . 11401 1 744 . 1 1 69 69 PRO HD2 H 1 3.871 0.030 . 1 . . . . 69 PRO HD2 . 11401 1 745 . 1 1 69 69 PRO HD3 H 1 3.871 0.030 . 1 . . . . 69 PRO HD3 . 11401 1 746 . 1 1 69 69 PRO HG2 H 1 2.039 0.030 . 2 . . . . 69 PRO HG2 . 11401 1 747 . 1 1 69 69 PRO HG3 H 1 1.985 0.030 . 2 . . . . 69 PRO HG3 . 11401 1 748 . 1 1 69 69 PRO C C 13 177.808 0.300 . 1 . . . . 69 PRO C . 11401 1 749 . 1 1 69 69 PRO CA C 13 64.141 0.300 . 1 . . . . 69 PRO CA . 11401 1 750 . 1 1 69 69 PRO CB C 13 32.171 0.300 . 1 . . . . 69 PRO CB . 11401 1 751 . 1 1 69 69 PRO CD C 13 51.073 0.300 . 1 . . . . 69 PRO CD . 11401 1 752 . 1 1 69 69 PRO CG C 13 27.147 0.300 . 1 . . . . 69 PRO CG . 11401 1 753 . 1 1 70 70 ARG H H 1 8.458 0.030 . 1 . . . . 70 ARG H . 11401 1 754 . 1 1 70 70 ARG HA H 1 4.145 0.030 . 1 . . . . 70 ARG HA . 11401 1 755 . 1 1 70 70 ARG HB2 H 1 1.851 0.030 . 2 . . . . 70 ARG HB2 . 11401 1 756 . 1 1 70 70 ARG HB3 H 1 1.788 0.030 . 2 . . . . 70 ARG HB3 . 11401 1 757 . 1 1 70 70 ARG HD2 H 1 3.210 0.030 . 1 . . . . 70 ARG HD2 . 11401 1 758 . 1 1 70 70 ARG HD3 H 1 3.210 0.030 . 1 . . . . 70 ARG HD3 . 11401 1 759 . 1 1 70 70 ARG HG2 H 1 1.650 0.030 . 1 . . . . 70 ARG HG2 . 11401 1 760 . 1 1 70 70 ARG HG3 H 1 1.650 0.030 . 1 . . . . 70 ARG HG3 . 11401 1 761 . 1 1 70 70 ARG C C 13 176.944 0.300 . 1 . . . . 70 ARG C . 11401 1 762 . 1 1 70 70 ARG CA C 13 57.241 0.300 . 1 . . . . 70 ARG CA . 11401 1 763 . 1 1 70 70 ARG CB C 13 30.031 0.300 . 1 . . . . 70 ARG CB . 11401 1 764 . 1 1 70 70 ARG CD C 13 43.237 0.300 . 1 . . . . 70 ARG CD . 11401 1 765 . 1 1 70 70 ARG CG C 13 27.166 0.300 . 1 . . . . 70 ARG CG . 11401 1 766 . 1 1 70 70 ARG N N 15 118.290 0.300 . 1 . . . . 70 ARG N . 11401 1 767 . 1 1 71 71 ASN H H 1 7.975 0.030 . 1 . . . . 71 ASN H . 11401 1 768 . 1 1 71 71 ASN HA H 1 4.672 0.030 . 1 . . . . 71 ASN HA . 11401 1 769 . 1 1 71 71 ASN HB2 H 1 2.742 0.030 . 2 . . . . 71 ASN HB2 . 11401 1 770 . 1 1 71 71 ASN HB3 H 1 2.871 0.030 . 2 . . . . 71 ASN HB3 . 11401 1 771 . 1 1 71 71 ASN HD21 H 1 7.728 0.030 . 2 . . . . 71 ASN HD21 . 11401 1 772 . 1 1 71 71 ASN HD22 H 1 6.948 0.030 . 2 . . . . 71 ASN HD22 . 11401 1 773 . 1 1 71 71 ASN C C 13 175.407 0.300 . 1 . . . . 71 ASN C . 11401 1 774 . 1 1 71 71 ASN CA C 13 53.341 0.300 . 1 . . . . 71 ASN CA . 11401 1 775 . 1 1 71 71 ASN CB C 13 38.734 0.300 . 1 . . . . 71 ASN CB . 11401 1 776 . 1 1 71 71 ASN N N 15 117.253 0.300 . 1 . . . . 71 ASN N . 11401 1 777 . 1 1 71 71 ASN ND2 N 15 112.935 0.300 . 1 . . . . 71 ASN ND2 . 11401 1 778 . 1 1 72 72 LYS H H 1 7.934 0.030 . 1 . . . . 72 LYS H . 11401 1 779 . 1 1 72 72 LYS HA H 1 4.177 0.030 . 1 . . . . 72 LYS HA . 11401 1 780 . 1 1 72 72 LYS HB2 H 1 1.694 0.030 . 2 . . . . 72 LYS HB2 . 11401 1 781 . 1 1 72 72 LYS HB3 H 1 1.739 0.030 . 2 . . . . 72 LYS HB3 . 11401 1 782 . 1 1 72 72 LYS HD2 H 1 1.612 0.030 . 1 . . . . 72 LYS HD2 . 11401 1 783 . 1 1 72 72 LYS HD3 H 1 1.612 0.030 . 1 . . . . 72 LYS HD3 . 11401 1 784 . 1 1 72 72 LYS HE2 H 1 2.929 0.030 . 1 . . . . 72 LYS HE2 . 11401 1 785 . 1 1 72 72 LYS HE3 H 1 2.929 0.030 . 1 . . . . 72 LYS HE3 . 11401 1 786 . 1 1 72 72 LYS HG2 H 1 1.313 0.030 . 1 . . . . 72 LYS HG2 . 11401 1 787 . 1 1 72 72 LYS HG3 H 1 1.313 0.030 . 1 . . . . 72 LYS HG3 . 11401 1 788 . 1 1 72 72 LYS C C 13 176.459 0.300 . 1 . . . . 72 LYS C . 11401 1 789 . 1 1 72 72 LYS CA C 13 56.980 0.300 . 1 . . . . 72 LYS CA . 11401 1 790 . 1 1 72 72 LYS CB C 13 32.728 0.300 . 1 . . . . 72 LYS CB . 11401 1 791 . 1 1 72 72 LYS CD C 13 28.966 0.300 . 1 . . . . 72 LYS CD . 11401 1 792 . 1 1 72 72 LYS CE C 13 42.177 0.300 . 1 . . . . 72 LYS CE . 11401 1 793 . 1 1 72 72 LYS CG C 13 24.652 0.300 . 1 . . . . 72 LYS CG . 11401 1 794 . 1 1 72 72 LYS N N 15 120.840 0.300 . 1 . . . . 72 LYS N . 11401 1 795 . 1 1 73 73 HIS H H 1 8.135 0.030 . 1 . . . . 73 HIS H . 11401 1 796 . 1 1 73 73 HIS HA H 1 4.546 0.030 . 1 . . . . 73 HIS HA . 11401 1 797 . 1 1 73 73 HIS HB2 H 1 3.045 0.030 . 2 . . . . 73 HIS HB2 . 11401 1 798 . 1 1 73 73 HIS HB3 H 1 2.997 0.030 . 2 . . . . 73 HIS HB3 . 11401 1 799 . 1 1 73 73 HIS HD2 H 1 6.930 0.030 . 1 . . . . 73 HIS HD2 . 11401 1 800 . 1 1 73 73 HIS HE1 H 1 7.814 0.030 . 1 . . . . 73 HIS HE1 . 11401 1 801 . 1 1 73 73 HIS C C 13 177.272 0.300 . 1 . . . . 73 HIS C . 11401 1 802 . 1 1 73 73 HIS CA C 13 56.354 0.300 . 1 . . . . 73 HIS CA . 11401 1 803 . 1 1 73 73 HIS CB C 13 30.691 0.300 . 1 . . . . 73 HIS CB . 11401 1 804 . 1 1 73 73 HIS CD2 C 13 119.840 0.300 . 1 . . . . 73 HIS CD2 . 11401 1 805 . 1 1 73 73 HIS CE1 C 13 138.441 0.300 . 1 . . . . 73 HIS CE1 . 11401 1 806 . 1 1 73 73 HIS N N 15 119.668 0.300 . 1 . . . . 73 HIS N . 11401 1 807 . 1 1 74 74 LYS HA H 1 4.182 0.030 . 1 . . . . 74 LYS HA . 11401 1 808 . 1 1 74 74 LYS HB2 H 1 1.616 0.030 . 2 . . . . 74 LYS HB2 . 11401 1 809 . 1 1 74 74 LYS HD2 H 1 1.628 0.030 . 1 . . . . 74 LYS HD2 . 11401 1 810 . 1 1 74 74 LYS HD3 H 1 1.628 0.030 . 1 . . . . 74 LYS HD3 . 11401 1 811 . 1 1 74 74 LYS HE2 H 1 2.935 0.030 . 1 . . . . 74 LYS HE2 . 11401 1 812 . 1 1 74 74 LYS HE3 H 1 2.935 0.030 . 1 . . . . 74 LYS HE3 . 11401 1 813 . 1 1 74 74 LYS HG2 H 1 1.204 0.030 . 2 . . . . 74 LYS HG2 . 11401 1 814 . 1 1 74 74 LYS C C 13 175.983 0.300 . 1 . . . . 74 LYS C . 11401 1 815 . 1 1 74 74 LYS CA C 13 56.482 0.300 . 1 . . . . 74 LYS CA . 11401 1 816 . 1 1 74 74 LYS CB C 13 32.939 0.300 . 1 . . . . 74 LYS CB . 11401 1 817 . 1 1 74 74 LYS CD C 13 29.136 0.300 . 1 . . . . 74 LYS CD . 11401 1 818 . 1 1 74 74 LYS CE C 13 42.168 0.300 . 1 . . . . 74 LYS CE . 11401 1 819 . 1 1 74 74 LYS CG C 13 24.595 0.300 . 1 . . . . 74 LYS CG . 11401 1 820 . 1 1 75 75 PHE HA H 1 4.620 0.030 . 1 . . . . 75 PHE HA . 11401 1 821 . 1 1 75 75 PHE HB2 H 1 2.994 0.030 . 2 . . . . 75 PHE HB2 . 11401 1 822 . 1 1 75 75 PHE HB3 H 1 3.133 0.030 . 2 . . . . 75 PHE HB3 . 11401 1 823 . 1 1 75 75 PHE HD1 H 1 7.245 0.030 . 1 . . . . 75 PHE HD1 . 11401 1 824 . 1 1 75 75 PHE HD2 H 1 7.245 0.030 . 1 . . . . 75 PHE HD2 . 11401 1 825 . 1 1 75 75 PHE C C 13 175.111 0.300 . 1 . . . . 75 PHE C . 11401 1 826 . 1 1 75 75 PHE CA C 13 57.626 0.300 . 1 . . . . 75 PHE CA . 11401 1 827 . 1 1 75 75 PHE CB C 13 39.534 0.300 . 1 . . . . 75 PHE CB . 11401 1 828 . 1 1 75 75 PHE N N 15 126.553 0.300 . 1 . . . . 75 PHE N . 11401 1 829 . 1 1 76 76 ARG H H 1 8.065 0.030 . 1 . . . . 76 ARG H . 11401 1 830 . 1 1 76 76 ARG HA H 1 4.324 0.030 . 1 . . . . 76 ARG HA . 11401 1 831 . 1 1 76 76 ARG HB2 H 1 1.707 0.030 . 2 . . . . 76 ARG HB2 . 11401 1 832 . 1 1 76 76 ARG HB3 H 1 1.824 0.030 . 2 . . . . 76 ARG HB3 . 11401 1 833 . 1 1 76 76 ARG HD2 H 1 3.159 0.030 . 1 . . . . 76 ARG HD2 . 11401 1 834 . 1 1 76 76 ARG HD3 H 1 3.159 0.030 . 1 . . . . 76 ARG HD3 . 11401 1 835 . 1 1 76 76 ARG HG2 H 1 1.564 0.030 . 1 . . . . 76 ARG HG2 . 11401 1 836 . 1 1 76 76 ARG HG3 H 1 1.564 0.030 . 1 . . . . 76 ARG HG3 . 11401 1 837 . 1 1 76 76 ARG C C 13 174.675 0.300 . 1 . . . . 76 ARG C . 11401 1 838 . 1 1 76 76 ARG CA C 13 55.849 0.300 . 1 . . . . 76 ARG CA . 11401 1 839 . 1 1 76 76 ARG CB C 13 31.051 0.300 . 1 . . . . 76 ARG CB . 11401 1 840 . 1 1 76 76 ARG CD C 13 43.353 0.300 . 1 . . . . 76 ARG CD . 11401 1 841 . 1 1 76 76 ARG CG C 13 26.904 0.300 . 1 . . . . 76 ARG CG . 11401 1 842 . 1 1 76 76 ARG N N 15 122.940 0.300 . 1 . . . . 76 ARG N . 11401 1 843 . 1 1 77 77 LEU H H 1 7.862 0.030 . 1 . . . . 77 LEU H . 11401 1 844 . 1 1 77 77 LEU HA H 1 4.143 0.030 . 1 . . . . 77 LEU HA . 11401 1 845 . 1 1 77 77 LEU HB2 H 1 1.574 0.030 . 1 . . . . 77 LEU HB2 . 11401 1 846 . 1 1 77 77 LEU HB3 H 1 1.574 0.030 . 1 . . . . 77 LEU HB3 . 11401 1 847 . 1 1 77 77 LEU HD11 H 1 0.916 0.030 . 1 . . . . 77 LEU HD1 . 11401 1 848 . 1 1 77 77 LEU HD12 H 1 0.916 0.030 . 1 . . . . 77 LEU HD1 . 11401 1 849 . 1 1 77 77 LEU HD13 H 1 0.916 0.030 . 1 . . . . 77 LEU HD1 . 11401 1 850 . 1 1 77 77 LEU HD21 H 1 0.879 0.030 . 1 . . . . 77 LEU HD2 . 11401 1 851 . 1 1 77 77 LEU HD22 H 1 0.879 0.030 . 1 . . . . 77 LEU HD2 . 11401 1 852 . 1 1 77 77 LEU HD23 H 1 0.879 0.030 . 1 . . . . 77 LEU HD2 . 11401 1 853 . 1 1 77 77 LEU HG H 1 1.597 0.030 . 1 . . . . 77 LEU HG . 11401 1 854 . 1 1 77 77 LEU CA C 13 56.772 0.300 . 1 . . . . 77 LEU CA . 11401 1 855 . 1 1 77 77 LEU CB C 13 43.385 0.300 . 1 . . . . 77 LEU CB . 11401 1 856 . 1 1 77 77 LEU CD1 C 13 25.236 0.300 . 2 . . . . 77 LEU CD1 . 11401 1 857 . 1 1 77 77 LEU CD2 C 13 23.715 0.300 . 2 . . . . 77 LEU CD2 . 11401 1 858 . 1 1 77 77 LEU CG C 13 27.328 0.300 . 1 . . . . 77 LEU CG . 11401 1 859 . 1 1 77 77 LEU N N 15 129.481 0.300 . 1 . . . . 77 LEU N . 11401 1 stop_ save_