data_11305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11305 _Entry.Title ; Solution Structure of the LIM Domain of the Human Actin Binding LIM Protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 11305 2 T. Tomizawa . . . 11305 3 S. Koshiba . . . 11305 4 M. Inoue . . . 11305 5 T. Kigawa . . . 11305 6 S. Yokoyama . . . 11305 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)' . 11305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 11305 '15N chemical shifts' 65 11305 '1H chemical shifts' 463 11305 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11305 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V6G 'BMRB Entry Tracking System' 11305 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11305 _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 LIM Domain of the Human Actin Binding LIM Protein 2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11305 1 2 T. Tomizawa . . . 11305 1 3 S. Koshiba . . . 11305 1 4 M. Inoue . . . 11305 1 5 T. Kigawa . . . 11305 1 6 S. Yokoyama . . . 11305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11305 _Assembly.ID 1 _Assembly.Name 'Actin Binding LIM Protein 2' _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 . _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 'LIM Domain' 1 $entity_1 A . yes native no no . . . 11305 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11305 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11305 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 'LIM Domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11305 1 2 coordination single . 1 'LIM Domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11305 1 3 coordination single . 1 'LIM Domain' 1 HIS 38 38 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 38 HIS ND1 . . . . ZN 11305 1 4 coordination single . 1 'LIM Domain' 1 CYS 41 41 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11305 1 5 coordination single . 1 'LIM Domain' 1 CYS 44 44 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 44 CYS SG . . . . ZN 11305 1 6 coordination single . 1 'LIM Domain' 1 CYS 47 47 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 47 CYS SG . . . . ZN 11305 1 7 coordination single . 1 'LIM Domain' 1 CYS 66 66 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 66 CYS SG . . . . ZN 11305 1 8 coordination single . 1 'LIM Domain' 1 CYS 69 69 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 69 CYS SG . . . . ZN 11305 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 66 66 HG . 66 CYS HG 11305 1 . . 1 1 CYS 69 69 HG . 69 CYS HG 11305 1 . . 1 1 CYS 44 44 HG . 44 CYS HG 11305 1 . . 1 1 CYS 47 47 HG . 47 CYS HG 11305 1 . . 1 1 HIS 38 38 HD1 . 38 HIS HD1 11305 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11305 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11305 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11305 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 1v6g . . . . . . 11305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'LIM Domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGLDYQRLYGTRCFS CDQFIEGEVVSALGKTYHPD CFVCAVCRLPFPPGDRVTFN GKECMCQKCSLPVSVSGPSS G ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1V6G . "Solution Structure Of The Lim Domain Of The Human Actin Binding Lim Protein 2" . . . . . 100.00 81 100.00 100.00 4.02e-50 . . . . 11305 1 2 no REF XP_004038463 . "PREDICTED: actin-binding LIM protein 2-like [Gorilla gorilla gorilla]" . . . . . 50.62 113 100.00 100.00 3.88e-20 . . . . 11305 1 3 no REF XP_008577003 . "PREDICTED: actin-binding LIM protein 2-like [Galeopterus variegatus]" . . . . . 50.62 129 100.00 100.00 7.28e-20 . . . . 11305 1 4 no REF XP_009204733 . "PREDICTED: actin-binding LIM protein 2 isoform X1 [Papio anubis]" . . . . . 51.85 211 97.62 100.00 7.56e-20 . . . . 11305 1 5 no REF XP_009204734 . "PREDICTED: actin-binding LIM protein 2 isoform X2 [Papio anubis]" . . . . . 83.95 200 100.00 100.00 6.92e-41 . . . . 11305 1 6 no REF XP_009204735 . "PREDICTED: actin-binding LIM protein 2 isoform X3 [Papio anubis]" . . . . . 83.95 199 100.00 100.00 8.09e-41 . . . . 11305 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'LIM Domain' . 11305 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 . 11305 1 2 . SER . 11305 1 3 . SER . 11305 1 4 . GLY . 11305 1 5 . SER . 11305 1 6 . SER . 11305 1 7 . GLY . 11305 1 8 . LEU . 11305 1 9 . ASP . 11305 1 10 . TYR . 11305 1 11 . GLN . 11305 1 12 . ARG . 11305 1 13 . LEU . 11305 1 14 . TYR . 11305 1 15 . GLY . 11305 1 16 . THR . 11305 1 17 . ARG . 11305 1 18 . CYS . 11305 1 19 . PHE . 11305 1 20 . SER . 11305 1 21 . CYS . 11305 1 22 . ASP . 11305 1 23 . GLN . 11305 1 24 . PHE . 11305 1 25 . ILE . 11305 1 26 . GLU . 11305 1 27 . GLY . 11305 1 28 . GLU . 11305 1 29 . VAL . 11305 1 30 . VAL . 11305 1 31 . SER . 11305 1 32 . ALA . 11305 1 33 . LEU . 11305 1 34 . GLY . 11305 1 35 . LYS . 11305 1 36 . THR . 11305 1 37 . TYR . 11305 1 38 . HIS . 11305 1 39 . PRO . 11305 1 40 . ASP . 11305 1 41 . CYS . 11305 1 42 . PHE . 11305 1 43 . VAL . 11305 1 44 . CYS . 11305 1 45 . ALA . 11305 1 46 . VAL . 11305 1 47 . CYS . 11305 1 48 . ARG . 11305 1 49 . LEU . 11305 1 50 . PRO . 11305 1 51 . PHE . 11305 1 52 . PRO . 11305 1 53 . PRO . 11305 1 54 . GLY . 11305 1 55 . ASP . 11305 1 56 . ARG . 11305 1 57 . VAL . 11305 1 58 . THR . 11305 1 59 . PHE . 11305 1 60 . ASN . 11305 1 61 . GLY . 11305 1 62 . LYS . 11305 1 63 . GLU . 11305 1 64 . CYS . 11305 1 65 . MET . 11305 1 66 . CYS . 11305 1 67 . GLN . 11305 1 68 . LYS . 11305 1 69 . CYS . 11305 1 70 . SER . 11305 1 71 . LEU . 11305 1 72 . PRO . 11305 1 73 . VAL . 11305 1 74 . SER . 11305 1 75 . VAL . 11305 1 76 . SER . 11305 1 77 . GLY . 11305 1 78 . PRO . 11305 1 79 . SER . 11305 1 80 . SER . 11305 1 81 . GLY . 11305 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 11305 1 . SER 2 2 11305 1 . SER 3 3 11305 1 . GLY 4 4 11305 1 . SER 5 5 11305 1 . SER 6 6 11305 1 . GLY 7 7 11305 1 . LEU 8 8 11305 1 . ASP 9 9 11305 1 . TYR 10 10 11305 1 . GLN 11 11 11305 1 . ARG 12 12 11305 1 . LEU 13 13 11305 1 . TYR 14 14 11305 1 . GLY 15 15 11305 1 . THR 16 16 11305 1 . ARG 17 17 11305 1 . CYS 18 18 11305 1 . PHE 19 19 11305 1 . SER 20 20 11305 1 . CYS 21 21 11305 1 . ASP 22 22 11305 1 . GLN 23 23 11305 1 . PHE 24 24 11305 1 . ILE 25 25 11305 1 . GLU 26 26 11305 1 . GLY 27 27 11305 1 . GLU 28 28 11305 1 . VAL 29 29 11305 1 . VAL 30 30 11305 1 . SER 31 31 11305 1 . ALA 32 32 11305 1 . LEU 33 33 11305 1 . GLY 34 34 11305 1 . LYS 35 35 11305 1 . THR 36 36 11305 1 . TYR 37 37 11305 1 . HIS 38 38 11305 1 . PRO 39 39 11305 1 . ASP 40 40 11305 1 . CYS 41 41 11305 1 . PHE 42 42 11305 1 . VAL 43 43 11305 1 . CYS 44 44 11305 1 . ALA 45 45 11305 1 . VAL 46 46 11305 1 . CYS 47 47 11305 1 . ARG 48 48 11305 1 . LEU 49 49 11305 1 . PRO 50 50 11305 1 . PHE 51 51 11305 1 . PRO 52 52 11305 1 . PRO 53 53 11305 1 . GLY 54 54 11305 1 . ASP 55 55 11305 1 . ARG 56 56 11305 1 . VAL 57 57 11305 1 . THR 58 58 11305 1 . PHE 59 59 11305 1 . ASN 60 60 11305 1 . GLY 61 61 11305 1 . LYS 62 62 11305 1 . GLU 63 63 11305 1 . CYS 64 64 11305 1 . MET 65 65 11305 1 . CYS 66 66 11305 1 . GLN 67 67 11305 1 . LYS 68 68 11305 1 . CYS 69 69 11305 1 . SER 70 70 11305 1 . LEU 71 71 11305 1 . PRO 72 72 11305 1 . VAL 73 73 11305 1 . SER 74 74 11305 1 . VAL 75 75 11305 1 . SER 76 76 11305 1 . GLY 77 77 11305 1 . PRO 78 78 11305 1 . SER 79 79 11305 1 . SER 80 80 11305 1 . GLY 81 81 11305 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11305 _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 . 11305 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 11305 _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 . . . . . . . . . . . . . . . . . . . . . 11305 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 11305 _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 . . P020930-36 . . . . . . 11305 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 11305 _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 11305 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11305 ZN [Zn++] SMILES CACTVS 3.341 11305 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11305 ZN [Zn+2] SMILES ACDLabs 10.04 11305 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11305 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11305 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 11305 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11305 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 . 11305 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11305 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.22mM LIM Domain {U-13C,15N;} 20mM d-Tris-HCl(pH {7.5);} 100mM {NaCl;} 0.02% {NaN3;} 0.1mM {ZnCl2;} 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 'LIM Domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.22 . . mM . . . . 11305 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11305 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11305 1 4 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11305 1 5 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11305 1 6 H2O . . . . . . solvent 90 . . % . . . . 11305 1 7 D2O . . . . . . solvent 10 . . % . . . . 11305 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 11305 _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 11305 1 pH 7.5 0.05 pH 11305 1 pressure 1 0.001 atm 11305 1 temperature 298 0.1 K 11305 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11305 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11305 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11305 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11305 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11305 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11305 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11305 _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.' . . 11305 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11305 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11305 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11305 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11305 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11305 _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.' . . 11305 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11305 5 'structure solution' 11305 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 11305 _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 11305 _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 . . . 11305 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 11305 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11305 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11305 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 11305 _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 . . . . . . . . . 11305 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11305 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11305 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 11305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11305 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11305 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 . . 11305 1 2 $NMRPipe . . 11305 1 3 $NMRView . . 11305 1 4 $Kujira . . 11305 1 5 $CYANA . . 11305 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 7 7 GLY HA2 H 1 3.994 0.030 . 1 . . . . 7 GLY HA2 . 11305 1 2 . 1 1 7 7 GLY HA3 H 1 3.994 0.030 . 1 . . . . 7 GLY HA3 . 11305 1 3 . 1 1 7 7 GLY C C 13 174.322 0.300 . 1 . . . . 7 GLY C . 11305 1 4 . 1 1 7 7 GLY CA C 13 45.540 0.300 . 1 . . . . 7 GLY CA . 11305 1 5 . 1 1 8 8 LEU H H 1 8.088 0.030 . 1 . . . . 8 LEU H . 11305 1 6 . 1 1 8 8 LEU HA H 1 4.296 0.030 . 1 . . . . 8 LEU HA . 11305 1 7 . 1 1 8 8 LEU HB2 H 1 1.475 0.030 . 2 . . . . 8 LEU HB2 . 11305 1 8 . 1 1 8 8 LEU HB3 H 1 1.576 0.030 . 2 . . . . 8 LEU HB3 . 11305 1 9 . 1 1 8 8 LEU HD11 H 1 0.904 0.030 . 1 . . . . 8 LEU HD1 . 11305 1 10 . 1 1 8 8 LEU HD12 H 1 0.904 0.030 . 1 . . . . 8 LEU HD1 . 11305 1 11 . 1 1 8 8 LEU HD13 H 1 0.904 0.030 . 1 . . . . 8 LEU HD1 . 11305 1 12 . 1 1 8 8 LEU HD21 H 1 0.851 0.030 . 1 . . . . 8 LEU HD2 . 11305 1 13 . 1 1 8 8 LEU HD22 H 1 0.851 0.030 . 1 . . . . 8 LEU HD2 . 11305 1 14 . 1 1 8 8 LEU HD23 H 1 0.851 0.030 . 1 . . . . 8 LEU HD2 . 11305 1 15 . 1 1 8 8 LEU HG H 1 1.576 0.030 . 1 . . . . 8 LEU HG . 11305 1 16 . 1 1 8 8 LEU C C 13 177.324 0.300 . 1 . . . . 8 LEU C . 11305 1 17 . 1 1 8 8 LEU CA C 13 55.502 0.300 . 1 . . . . 8 LEU CA . 11305 1 18 . 1 1 8 8 LEU CB C 13 42.341 0.300 . 1 . . . . 8 LEU CB . 11305 1 19 . 1 1 8 8 LEU CD1 C 13 24.994 0.300 . 2 . . . . 8 LEU CD1 . 11305 1 20 . 1 1 8 8 LEU CD2 C 13 23.490 0.300 . 2 . . . . 8 LEU CD2 . 11305 1 21 . 1 1 8 8 LEU CG C 13 26.999 0.300 . 1 . . . . 8 LEU CG . 11305 1 22 . 1 1 8 8 LEU N N 15 121.561 0.300 . 1 . . . . 8 LEU N . 11305 1 23 . 1 1 9 9 ASP H H 1 8.286 0.030 . 1 . . . . 9 ASP H . 11305 1 24 . 1 1 9 9 ASP HA H 1 4.538 0.030 . 1 . . . . 9 ASP HA . 11305 1 25 . 1 1 9 9 ASP HB2 H 1 2.682 0.030 . 2 . . . . 9 ASP HB2 . 11305 1 26 . 1 1 9 9 ASP HB3 H 1 2.593 0.030 . 2 . . . . 9 ASP HB3 . 11305 1 27 . 1 1 9 9 ASP C C 13 176.471 0.300 . 1 . . . . 9 ASP C . 11305 1 28 . 1 1 9 9 ASP CA C 13 54.664 0.300 . 1 . . . . 9 ASP CA . 11305 1 29 . 1 1 9 9 ASP CB C 13 40.847 0.300 . 1 . . . . 9 ASP CB . 11305 1 30 . 1 1 9 9 ASP N N 15 120.491 0.300 . 1 . . . . 9 ASP N . 11305 1 31 . 1 1 10 10 TYR H H 1 7.995 0.030 . 1 . . . . 10 TYR H . 11305 1 32 . 1 1 10 10 TYR HA H 1 4.378 0.030 . 1 . . . . 10 TYR HA . 11305 1 33 . 1 1 10 10 TYR HB2 H 1 3.028 0.030 . 2 . . . . 10 TYR HB2 . 11305 1 34 . 1 1 10 10 TYR HB3 H 1 3.060 0.030 . 2 . . . . 10 TYR HB3 . 11305 1 35 . 1 1 10 10 TYR HD1 H 1 7.103 0.030 . 1 . . . . 10 TYR HD1 . 11305 1 36 . 1 1 10 10 TYR HD2 H 1 7.103 0.030 . 1 . . . . 10 TYR HD2 . 11305 1 37 . 1 1 10 10 TYR HE1 H 1 6.806 0.030 . 1 . . . . 10 TYR HE1 . 11305 1 38 . 1 1 10 10 TYR HE2 H 1 6.806 0.030 . 1 . . . . 10 TYR HE2 . 11305 1 39 . 1 1 10 10 TYR C C 13 176.329 0.300 . 1 . . . . 10 TYR C . 11305 1 40 . 1 1 10 10 TYR CA C 13 59.189 0.300 . 1 . . . . 10 TYR CA . 11305 1 41 . 1 1 10 10 TYR CB C 13 38.551 0.300 . 1 . . . . 10 TYR CB . 11305 1 42 . 1 1 10 10 TYR CD1 C 13 133.241 0.300 . 1 . . . . 10 TYR CD1 . 11305 1 43 . 1 1 10 10 TYR CD2 C 13 133.241 0.300 . 1 . . . . 10 TYR CD2 . 11305 1 44 . 1 1 10 10 TYR CE1 C 13 118.381 0.300 . 1 . . . . 10 TYR CE1 . 11305 1 45 . 1 1 10 10 TYR CE2 C 13 118.381 0.300 . 1 . . . . 10 TYR CE2 . 11305 1 46 . 1 1 10 10 TYR N N 15 120.587 0.300 . 1 . . . . 10 TYR N . 11305 1 47 . 1 1 11 11 GLN H H 1 8.163 0.030 . 1 . . . . 11 GLN H . 11305 1 48 . 1 1 11 11 GLN HA H 1 4.111 0.030 . 1 . . . . 11 GLN HA . 11305 1 49 . 1 1 11 11 GLN HB2 H 1 1.947 0.030 . 1 . . . . 11 GLN HB2 . 11305 1 50 . 1 1 11 11 GLN HB3 H 1 1.947 0.030 . 1 . . . . 11 GLN HB3 . 11305 1 51 . 1 1 11 11 GLN HE21 H 1 6.845 0.030 . 2 . . . . 11 GLN HE21 . 11305 1 52 . 1 1 11 11 GLN HE22 H 1 7.499 0.030 . 2 . . . . 11 GLN HE22 . 11305 1 53 . 1 1 11 11 GLN HG2 H 1 2.222 0.030 . 1 . . . . 11 GLN HG2 . 11305 1 54 . 1 1 11 11 GLN HG3 H 1 2.222 0.030 . 1 . . . . 11 GLN HG3 . 11305 1 55 . 1 1 11 11 GLN C C 13 176.458 0.300 . 1 . . . . 11 GLN C . 11305 1 56 . 1 1 11 11 GLN CA C 13 56.776 0.300 . 1 . . . . 11 GLN CA . 11305 1 57 . 1 1 11 11 GLN CB C 13 29.019 0.300 . 1 . . . . 11 GLN CB . 11305 1 58 . 1 1 11 11 GLN CG C 13 33.939 0.300 . 1 . . . . 11 GLN CG . 11305 1 59 . 1 1 11 11 GLN N N 15 120.240 0.300 . 1 . . . . 11 GLN N . 11305 1 60 . 1 1 11 11 GLN NE2 N 15 111.992 0.300 . 1 . . . . 11 GLN NE2 . 11305 1 61 . 1 1 12 12 ARG H H 1 7.974 0.030 . 1 . . . . 12 ARG H . 11305 1 62 . 1 1 12 12 ARG HA H 1 4.137 0.030 . 1 . . . . 12 ARG HA . 11305 1 63 . 1 1 12 12 ARG HB2 H 1 1.721 0.030 . 1 . . . . 12 ARG HB2 . 11305 1 64 . 1 1 12 12 ARG HB3 H 1 1.721 0.030 . 1 . . . . 12 ARG HB3 . 11305 1 65 . 1 1 12 12 ARG HD2 H 1 3.101 0.030 . 1 . . . . 12 ARG HD2 . 11305 1 66 . 1 1 12 12 ARG HD3 H 1 3.101 0.030 . 1 . . . . 12 ARG HD3 . 11305 1 67 . 1 1 12 12 ARG HG2 H 1 1.475 0.030 . 2 . . . . 12 ARG HG2 . 11305 1 68 . 1 1 12 12 ARG HG3 H 1 1.559 0.030 . 2 . . . . 12 ARG HG3 . 11305 1 69 . 1 1 12 12 ARG C C 13 176.351 0.300 . 1 . . . . 12 ARG C . 11305 1 70 . 1 1 12 12 ARG CA C 13 56.851 0.300 . 1 . . . . 12 ARG CA . 11305 1 71 . 1 1 12 12 ARG CB C 13 30.456 0.300 . 1 . . . . 12 ARG CB . 11305 1 72 . 1 1 12 12 ARG CD C 13 43.351 0.300 . 1 . . . . 12 ARG CD . 11305 1 73 . 1 1 12 12 ARG CG C 13 27.333 0.300 . 1 . . . . 12 ARG CG . 11305 1 74 . 1 1 12 12 ARG N N 15 120.292 0.300 . 1 . . . . 12 ARG N . 11305 1 75 . 1 1 13 13 LEU H H 1 7.892 0.030 . 1 . . . . 13 LEU H . 11305 1 76 . 1 1 13 13 LEU HA H 1 4.186 0.030 . 1 . . . . 13 LEU HA . 11305 1 77 . 1 1 13 13 LEU HB2 H 1 1.400 0.030 . 2 . . . . 13 LEU HB2 . 11305 1 78 . 1 1 13 13 LEU HB3 H 1 1.142 0.030 . 2 . . . . 13 LEU HB3 . 11305 1 79 . 1 1 13 13 LEU HD11 H 1 0.814 0.030 . 1 . . . . 13 LEU HD1 . 11305 1 80 . 1 1 13 13 LEU HD12 H 1 0.814 0.030 . 1 . . . . 13 LEU HD1 . 11305 1 81 . 1 1 13 13 LEU HD13 H 1 0.814 0.030 . 1 . . . . 13 LEU HD1 . 11305 1 82 . 1 1 13 13 LEU HD21 H 1 0.748 0.030 . 1 . . . . 13 LEU HD2 . 11305 1 83 . 1 1 13 13 LEU HD22 H 1 0.748 0.030 . 1 . . . . 13 LEU HD2 . 11305 1 84 . 1 1 13 13 LEU HD23 H 1 0.748 0.030 . 1 . . . . 13 LEU HD2 . 11305 1 85 . 1 1 13 13 LEU HG H 1 1.398 0.030 . 1 . . . . 13 LEU HG . 11305 1 86 . 1 1 13 13 LEU C C 13 177.155 0.300 . 1 . . . . 13 LEU C . 11305 1 87 . 1 1 13 13 LEU CA C 13 55.517 0.300 . 1 . . . . 13 LEU CA . 11305 1 88 . 1 1 13 13 LEU CB C 13 42.691 0.300 . 1 . . . . 13 LEU CB . 11305 1 89 . 1 1 13 13 LEU CD1 C 13 24.910 0.300 . 2 . . . . 13 LEU CD1 . 11305 1 90 . 1 1 13 13 LEU CD2 C 13 23.323 0.300 . 2 . . . . 13 LEU CD2 . 11305 1 91 . 1 1 13 13 LEU CG C 13 26.901 0.300 . 1 . . . . 13 LEU CG . 11305 1 92 . 1 1 13 13 LEU N N 15 121.292 0.300 . 1 . . . . 13 LEU N . 11305 1 93 . 1 1 14 14 TYR H H 1 7.939 0.030 . 1 . . . . 14 TYR H . 11305 1 94 . 1 1 14 14 TYR HA H 1 4.596 0.030 . 1 . . . . 14 TYR HA . 11305 1 95 . 1 1 14 14 TYR HB2 H 1 2.668 0.030 . 2 . . . . 14 TYR HB2 . 11305 1 96 . 1 1 14 14 TYR HB3 H 1 3.036 0.030 . 2 . . . . 14 TYR HB3 . 11305 1 97 . 1 1 14 14 TYR HD1 H 1 6.996 0.030 . 1 . . . . 14 TYR HD1 . 11305 1 98 . 1 1 14 14 TYR HD2 H 1 6.996 0.030 . 1 . . . . 14 TYR HD2 . 11305 1 99 . 1 1 14 14 TYR HE1 H 1 6.765 0.030 . 1 . . . . 14 TYR HE1 . 11305 1 100 . 1 1 14 14 TYR HE2 H 1 6.765 0.030 . 1 . . . . 14 TYR HE2 . 11305 1 101 . 1 1 14 14 TYR C C 13 175.947 0.300 . 1 . . . . 14 TYR C . 11305 1 102 . 1 1 14 14 TYR CA C 13 57.371 0.300 . 1 . . . . 14 TYR CA . 11305 1 103 . 1 1 14 14 TYR CB C 13 39.057 0.300 . 1 . . . . 14 TYR CB . 11305 1 104 . 1 1 14 14 TYR CD1 C 13 133.385 0.300 . 1 . . . . 14 TYR CD1 . 11305 1 105 . 1 1 14 14 TYR CD2 C 13 133.385 0.300 . 1 . . . . 14 TYR CD2 . 11305 1 106 . 1 1 14 14 TYR CE1 C 13 118.059 0.300 . 1 . . . . 14 TYR CE1 . 11305 1 107 . 1 1 14 14 TYR CE2 C 13 118.059 0.300 . 1 . . . . 14 TYR CE2 . 11305 1 108 . 1 1 14 14 TYR N N 15 118.392 0.300 . 1 . . . . 14 TYR N . 11305 1 109 . 1 1 15 15 GLY H H 1 8.036 0.030 . 1 . . . . 15 GLY H . 11305 1 110 . 1 1 15 15 GLY HA2 H 1 3.862 0.030 . 2 . . . . 15 GLY HA2 . 11305 1 111 . 1 1 15 15 GLY HA3 H 1 3.918 0.030 . 2 . . . . 15 GLY HA3 . 11305 1 112 . 1 1 15 15 GLY C C 13 173.388 0.300 . 1 . . . . 15 GLY C . 11305 1 113 . 1 1 15 15 GLY CA C 13 45.222 0.300 . 1 . . . . 15 GLY CA . 11305 1 114 . 1 1 15 15 GLY N N 15 109.415 0.300 . 1 . . . . 15 GLY N . 11305 1 115 . 1 1 16 16 THR H H 1 8.667 0.030 . 1 . . . . 16 THR H . 11305 1 116 . 1 1 16 16 THR HA H 1 4.374 0.030 . 1 . . . . 16 THR HA . 11305 1 117 . 1 1 16 16 THR HB H 1 3.998 0.030 . 1 . . . . 16 THR HB . 11305 1 118 . 1 1 16 16 THR HG21 H 1 1.193 0.030 . 1 . . . . 16 THR HG2 . 11305 1 119 . 1 1 16 16 THR HG22 H 1 1.193 0.030 . 1 . . . . 16 THR HG2 . 11305 1 120 . 1 1 16 16 THR HG23 H 1 1.193 0.030 . 1 . . . . 16 THR HG2 . 11305 1 121 . 1 1 16 16 THR C C 13 173.170 0.300 . 1 . . . . 16 THR C . 11305 1 122 . 1 1 16 16 THR CA C 13 62.309 0.300 . 1 . . . . 16 THR CA . 11305 1 123 . 1 1 16 16 THR CB C 13 69.937 0.300 . 1 . . . . 16 THR CB . 11305 1 124 . 1 1 16 16 THR CG2 C 13 22.355 0.300 . 1 . . . . 16 THR CG2 . 11305 1 125 . 1 1 16 16 THR N N 15 117.373 0.300 . 1 . . . . 16 THR N . 11305 1 126 . 1 1 17 17 ARG H H 1 8.703 0.030 . 1 . . . . 17 ARG H . 11305 1 127 . 1 1 17 17 ARG HA H 1 4.287 0.030 . 1 . . . . 17 ARG HA . 11305 1 128 . 1 1 17 17 ARG HB2 H 1 1.238 0.030 . 2 . . . . 17 ARG HB2 . 11305 1 129 . 1 1 17 17 ARG HB3 H 1 1.374 0.030 . 2 . . . . 17 ARG HB3 . 11305 1 130 . 1 1 17 17 ARG HD2 H 1 2.792 0.030 . 1 . . . . 17 ARG HD2 . 11305 1 131 . 1 1 17 17 ARG HD3 H 1 2.792 0.030 . 1 . . . . 17 ARG HD3 . 11305 1 132 . 1 1 17 17 ARG HG2 H 1 0.775 0.030 . 2 . . . . 17 ARG HG2 . 11305 1 133 . 1 1 17 17 ARG HG3 H 1 1.081 0.030 . 2 . . . . 17 ARG HG3 . 11305 1 134 . 1 1 17 17 ARG C C 13 175.161 0.300 . 1 . . . . 17 ARG C . 11305 1 135 . 1 1 17 17 ARG CA C 13 55.037 0.300 . 1 . . . . 17 ARG CA . 11305 1 136 . 1 1 17 17 ARG CB C 13 32.779 0.300 . 1 . . . . 17 ARG CB . 11305 1 137 . 1 1 17 17 ARG CD C 13 43.093 0.300 . 1 . . . . 17 ARG CD . 11305 1 138 . 1 1 17 17 ARG CG C 13 27.965 0.300 . 1 . . . . 17 ARG CG . 11305 1 139 . 1 1 17 17 ARG N N 15 126.161 0.300 . 1 . . . . 17 ARG N . 11305 1 140 . 1 1 18 18 CYS H H 1 8.317 0.030 . 1 . . . . 18 CYS H . 11305 1 141 . 1 1 18 18 CYS HA H 1 4.525 0.030 . 1 . . . . 18 CYS HA . 11305 1 142 . 1 1 18 18 CYS HB2 H 1 3.534 0.030 . 2 . . . . 18 CYS HB2 . 11305 1 143 . 1 1 18 18 CYS HB3 H 1 2.304 0.030 . 2 . . . . 18 CYS HB3 . 11305 1 144 . 1 1 18 18 CYS C C 13 177.334 0.300 . 1 . . . . 18 CYS C . 11305 1 145 . 1 1 18 18 CYS CA C 13 58.048 0.300 . 1 . . . . 18 CYS CA . 11305 1 146 . 1 1 18 18 CYS CB C 13 31.366 0.300 . 1 . . . . 18 CYS CB . 11305 1 147 . 1 1 18 18 CYS N N 15 125.507 0.300 . 1 . . . . 18 CYS N . 11305 1 148 . 1 1 19 19 PHE H H 1 9.306 0.030 . 1 . . . . 19 PHE H . 11305 1 149 . 1 1 19 19 PHE HA H 1 4.186 0.030 . 1 . . . . 19 PHE HA . 11305 1 150 . 1 1 19 19 PHE HB2 H 1 3.107 0.030 . 2 . . . . 19 PHE HB2 . 11305 1 151 . 1 1 19 19 PHE HB3 H 1 2.317 0.030 . 2 . . . . 19 PHE HB3 . 11305 1 152 . 1 1 19 19 PHE HD1 H 1 7.411 0.030 . 1 . . . . 19 PHE HD1 . 11305 1 153 . 1 1 19 19 PHE HD2 H 1 7.411 0.030 . 1 . . . . 19 PHE HD2 . 11305 1 154 . 1 1 19 19 PHE HE1 H 1 7.460 0.030 . 1 . . . . 19 PHE HE1 . 11305 1 155 . 1 1 19 19 PHE HE2 H 1 7.460 0.030 . 1 . . . . 19 PHE HE2 . 11305 1 156 . 1 1 19 19 PHE HZ H 1 7.371 0.030 . 1 . . . . 19 PHE HZ . 11305 1 157 . 1 1 19 19 PHE C C 13 175.725 0.300 . 1 . . . . 19 PHE C . 11305 1 158 . 1 1 19 19 PHE CA C 13 60.631 0.300 . 1 . . . . 19 PHE CA . 11305 1 159 . 1 1 19 19 PHE CB C 13 39.423 0.300 . 1 . . . . 19 PHE CB . 11305 1 160 . 1 1 19 19 PHE CD1 C 13 132.061 0.300 . 1 . . . . 19 PHE CD1 . 11305 1 161 . 1 1 19 19 PHE CD2 C 13 132.061 0.300 . 1 . . . . 19 PHE CD2 . 11305 1 162 . 1 1 19 19 PHE CE1 C 13 131.480 0.300 . 1 . . . . 19 PHE CE1 . 11305 1 163 . 1 1 19 19 PHE CE2 C 13 131.480 0.300 . 1 . . . . 19 PHE CE2 . 11305 1 164 . 1 1 19 19 PHE CZ C 13 129.897 0.300 . 1 . . . . 19 PHE CZ . 11305 1 165 . 1 1 19 19 PHE N N 15 131.480 0.300 . 1 . . . . 19 PHE N . 11305 1 166 . 1 1 20 20 SER H H 1 8.609 0.030 . 1 . . . . 20 SER H . 11305 1 167 . 1 1 20 20 SER HA H 1 4.701 0.030 . 1 . . . . 20 SER HA . 11305 1 168 . 1 1 20 20 SER HB2 H 1 4.340 0.030 . 1 . . . . 20 SER HB2 . 11305 1 169 . 1 1 20 20 SER HB3 H 1 4.340 0.030 . 1 . . . . 20 SER HB3 . 11305 1 170 . 1 1 20 20 SER C C 13 175.791 0.300 . 1 . . . . 20 SER C . 11305 1 171 . 1 1 20 20 SER CA C 13 60.519 0.300 . 1 . . . . 20 SER CA . 11305 1 172 . 1 1 20 20 SER CB C 13 64.377 0.300 . 1 . . . . 20 SER CB . 11305 1 173 . 1 1 20 20 SER N N 15 112.292 0.300 . 1 . . . . 20 SER N . 11305 1 174 . 1 1 21 21 CYS H H 1 8.123 0.030 . 1 . . . . 21 CYS H . 11305 1 175 . 1 1 21 21 CYS HA H 1 4.986 0.030 . 1 . . . . 21 CYS HA . 11305 1 176 . 1 1 21 21 CYS HB2 H 1 3.389 0.030 . 2 . . . . 21 CYS HB2 . 11305 1 177 . 1 1 21 21 CYS HB3 H 1 3.034 0.030 . 2 . . . . 21 CYS HB3 . 11305 1 178 . 1 1 21 21 CYS C C 13 176.008 0.300 . 1 . . . . 21 CYS C . 11305 1 179 . 1 1 21 21 CYS CA C 13 58.935 0.300 . 1 . . . . 21 CYS CA . 11305 1 180 . 1 1 21 21 CYS CB C 13 31.431 0.300 . 1 . . . . 21 CYS CB . 11305 1 181 . 1 1 21 21 CYS N N 15 117.072 0.300 . 1 . . . . 21 CYS N . 11305 1 182 . 1 1 22 22 ASP H H 1 8.121 0.030 . 1 . . . . 22 ASP H . 11305 1 183 . 1 1 22 22 ASP HA H 1 4.509 0.030 . 1 . . . . 22 ASP HA . 11305 1 184 . 1 1 22 22 ASP HB2 H 1 2.972 0.030 . 2 . . . . 22 ASP HB2 . 11305 1 185 . 1 1 22 22 ASP HB3 H 1 2.525 0.030 . 2 . . . . 22 ASP HB3 . 11305 1 186 . 1 1 22 22 ASP C C 13 174.595 0.300 . 1 . . . . 22 ASP C . 11305 1 187 . 1 1 22 22 ASP CA C 13 56.351 0.300 . 1 . . . . 22 ASP CA . 11305 1 188 . 1 1 22 22 ASP CB C 13 41.100 0.300 . 1 . . . . 22 ASP CB . 11305 1 189 . 1 1 22 22 ASP N N 15 120.568 0.300 . 1 . . . . 22 ASP N . 11305 1 190 . 1 1 23 23 GLN H H 1 8.116 0.030 . 1 . . . . 23 GLN H . 11305 1 191 . 1 1 23 23 GLN HA H 1 4.563 0.030 . 1 . . . . 23 GLN HA . 11305 1 192 . 1 1 23 23 GLN HB2 H 1 2.473 0.030 . 2 . . . . 23 GLN HB2 . 11305 1 193 . 1 1 23 23 GLN HB3 H 1 2.172 0.030 . 2 . . . . 23 GLN HB3 . 11305 1 194 . 1 1 23 23 GLN HE21 H 1 7.489 0.030 . 2 . . . . 23 GLN HE21 . 11305 1 195 . 1 1 23 23 GLN HE22 H 1 6.948 0.030 . 2 . . . . 23 GLN HE22 . 11305 1 196 . 1 1 23 23 GLN HG2 H 1 2.542 0.030 . 1 . . . . 23 GLN HG2 . 11305 1 197 . 1 1 23 23 GLN HG3 H 1 2.542 0.030 . 1 . . . . 23 GLN HG3 . 11305 1 198 . 1 1 23 23 GLN C C 13 176.541 0.300 . 1 . . . . 23 GLN C . 11305 1 199 . 1 1 23 23 GLN CA C 13 53.933 0.300 . 1 . . . . 23 GLN CA . 11305 1 200 . 1 1 23 23 GLN CB C 13 30.402 0.300 . 1 . . . . 23 GLN CB . 11305 1 201 . 1 1 23 23 GLN CG C 13 33.880 0.300 . 1 . . . . 23 GLN CG . 11305 1 202 . 1 1 23 23 GLN N N 15 117.058 0.300 . 1 . . . . 23 GLN N . 11305 1 203 . 1 1 23 23 GLN NE2 N 15 113.805 0.300 . 1 . . . . 23 GLN NE2 . 11305 1 204 . 1 1 24 24 PHE H H 1 8.600 0.030 . 1 . . . . 24 PHE H . 11305 1 205 . 1 1 24 24 PHE HA H 1 4.574 0.030 . 1 . . . . 24 PHE HA . 11305 1 206 . 1 1 24 24 PHE HB2 H 1 3.058 0.030 . 2 . . . . 24 PHE HB2 . 11305 1 207 . 1 1 24 24 PHE HB3 H 1 2.892 0.030 . 2 . . . . 24 PHE HB3 . 11305 1 208 . 1 1 24 24 PHE HD1 H 1 7.153 0.030 . 1 . . . . 24 PHE HD1 . 11305 1 209 . 1 1 24 24 PHE HD2 H 1 7.153 0.030 . 1 . . . . 24 PHE HD2 . 11305 1 210 . 1 1 24 24 PHE HE1 H 1 7.260 0.030 . 1 . . . . 24 PHE HE1 . 11305 1 211 . 1 1 24 24 PHE HE2 H 1 7.260 0.030 . 1 . . . . 24 PHE HE2 . 11305 1 212 . 1 1 24 24 PHE HZ H 1 7.235 0.030 . 1 . . . . 24 PHE HZ . 11305 1 213 . 1 1 24 24 PHE C C 13 176.442 0.300 . 1 . . . . 24 PHE C . 11305 1 214 . 1 1 24 24 PHE CA C 13 59.674 0.300 . 1 . . . . 24 PHE CA . 11305 1 215 . 1 1 24 24 PHE CB C 13 39.170 0.300 . 1 . . . . 24 PHE CB . 11305 1 216 . 1 1 24 24 PHE CD1 C 13 131.254 0.300 . 1 . . . . 24 PHE CD1 . 11305 1 217 . 1 1 24 24 PHE CD2 C 13 131.254 0.300 . 1 . . . . 24 PHE CD2 . 11305 1 218 . 1 1 24 24 PHE CE1 C 13 131.361 0.300 . 1 . . . . 24 PHE CE1 . 11305 1 219 . 1 1 24 24 PHE CE2 C 13 131.361 0.300 . 1 . . . . 24 PHE CE2 . 11305 1 220 . 1 1 24 24 PHE CZ C 13 129.916 0.300 . 1 . . . . 24 PHE CZ . 11305 1 221 . 1 1 24 24 PHE N N 15 119.885 0.300 . 1 . . . . 24 PHE N . 11305 1 222 . 1 1 25 25 ILE H H 1 8.523 0.030 . 1 . . . . 25 ILE H . 11305 1 223 . 1 1 25 25 ILE HA H 1 3.922 0.030 . 1 . . . . 25 ILE HA . 11305 1 224 . 1 1 25 25 ILE HB H 1 1.367 0.030 . 1 . . . . 25 ILE HB . 11305 1 225 . 1 1 25 25 ILE HD11 H 1 0.340 0.030 . 1 . . . . 25 ILE HD1 . 11305 1 226 . 1 1 25 25 ILE HD12 H 1 0.340 0.030 . 1 . . . . 25 ILE HD1 . 11305 1 227 . 1 1 25 25 ILE HD13 H 1 0.340 0.030 . 1 . . . . 25 ILE HD1 . 11305 1 228 . 1 1 25 25 ILE HG12 H 1 -0.563 0.030 . 2 . . . . 25 ILE HG12 . 11305 1 229 . 1 1 25 25 ILE HG13 H 1 1.238 0.030 . 2 . . . . 25 ILE HG13 . 11305 1 230 . 1 1 25 25 ILE HG21 H 1 0.675 0.030 . 1 . . . . 25 ILE HG2 . 11305 1 231 . 1 1 25 25 ILE HG22 H 1 0.675 0.030 . 1 . . . . 25 ILE HG2 . 11305 1 232 . 1 1 25 25 ILE HG23 H 1 0.675 0.030 . 1 . . . . 25 ILE HG2 . 11305 1 233 . 1 1 25 25 ILE C C 13 175.733 0.300 . 1 . . . . 25 ILE C . 11305 1 234 . 1 1 25 25 ILE CA C 13 61.505 0.300 . 1 . . . . 25 ILE CA . 11305 1 235 . 1 1 25 25 ILE CB C 13 38.849 0.300 . 1 . . . . 25 ILE CB . 11305 1 236 . 1 1 25 25 ILE CD1 C 13 14.635 0.300 . 1 . . . . 25 ILE CD1 . 11305 1 237 . 1 1 25 25 ILE CG1 C 13 26.648 0.300 . 1 . . . . 25 ILE CG1 . 11305 1 238 . 1 1 25 25 ILE CG2 C 13 19.177 0.300 . 1 . . . . 25 ILE CG2 . 11305 1 239 . 1 1 25 25 ILE N N 15 123.092 0.300 . 1 . . . . 25 ILE N . 11305 1 240 . 1 1 26 26 GLU H H 1 9.199 0.030 . 1 . . . . 26 GLU H . 11305 1 241 . 1 1 26 26 GLU HA H 1 4.516 0.030 . 1 . . . . 26 GLU HA . 11305 1 242 . 1 1 26 26 GLU HB2 H 1 1.982 0.030 . 2 . . . . 26 GLU HB2 . 11305 1 243 . 1 1 26 26 GLU HB3 H 1 2.110 0.030 . 2 . . . . 26 GLU HB3 . 11305 1 244 . 1 1 26 26 GLU HG2 H 1 2.208 0.030 . 2 . . . . 26 GLU HG2 . 11305 1 245 . 1 1 26 26 GLU HG3 H 1 2.273 0.030 . 2 . . . . 26 GLU HG3 . 11305 1 246 . 1 1 26 26 GLU C C 13 176.405 0.300 . 1 . . . . 26 GLU C . 11305 1 247 . 1 1 26 26 GLU CA C 13 55.851 0.300 . 1 . . . . 26 GLU CA . 11305 1 248 . 1 1 26 26 GLU CB C 13 30.755 0.300 . 1 . . . . 26 GLU CB . 11305 1 249 . 1 1 26 26 GLU CG C 13 36.491 0.300 . 1 . . . . 26 GLU CG . 11305 1 250 . 1 1 26 26 GLU N N 15 129.582 0.300 . 1 . . . . 26 GLU N . 11305 1 251 . 1 1 27 27 GLY H H 1 8.295 0.030 . 1 . . . . 27 GLY H . 11305 1 252 . 1 1 27 27 GLY HA2 H 1 3.974 0.030 . 2 . . . . 27 GLY HA2 . 11305 1 253 . 1 1 27 27 GLY HA3 H 1 4.029 0.030 . 2 . . . . 27 GLY HA3 . 11305 1 254 . 1 1 27 27 GLY C C 13 173.272 0.300 . 1 . . . . 27 GLY C . 11305 1 255 . 1 1 27 27 GLY CA C 13 44.916 0.300 . 1 . . . . 27 GLY CA . 11305 1 256 . 1 1 27 27 GLY N N 15 112.710 0.300 . 1 . . . . 27 GLY N . 11305 1 257 . 1 1 28 28 GLU H H 1 8.427 0.030 . 1 . . . . 28 GLU H . 11305 1 258 . 1 1 28 28 GLU HA H 1 4.059 0.030 . 1 . . . . 28 GLU HA . 11305 1 259 . 1 1 28 28 GLU HB2 H 1 1.957 0.030 . 1 . . . . 28 GLU HB2 . 11305 1 260 . 1 1 28 28 GLU HB3 H 1 1.957 0.030 . 1 . . . . 28 GLU HB3 . 11305 1 261 . 1 1 28 28 GLU HG2 H 1 2.201 0.030 . 2 . . . . 28 GLU HG2 . 11305 1 262 . 1 1 28 28 GLU HG3 H 1 2.341 0.030 . 2 . . . . 28 GLU HG3 . 11305 1 263 . 1 1 28 28 GLU C C 13 174.607 0.300 . 1 . . . . 28 GLU C . 11305 1 264 . 1 1 28 28 GLU CA C 13 57.617 0.300 . 1 . . . . 28 GLU CA . 11305 1 265 . 1 1 28 28 GLU CB C 13 30.660 0.300 . 1 . . . . 28 GLU CB . 11305 1 266 . 1 1 28 28 GLU CG C 13 36.271 0.300 . 1 . . . . 28 GLU CG . 11305 1 267 . 1 1 28 28 GLU N N 15 125.478 0.300 . 1 . . . . 28 GLU N . 11305 1 268 . 1 1 29 29 VAL H H 1 8.195 0.030 . 1 . . . . 29 VAL H . 11305 1 269 . 1 1 29 29 VAL HA H 1 4.345 0.030 . 1 . . . . 29 VAL HA . 11305 1 270 . 1 1 29 29 VAL HB H 1 1.920 0.030 . 1 . . . . 29 VAL HB . 11305 1 271 . 1 1 29 29 VAL HG11 H 1 0.806 0.030 . 1 . . . . 29 VAL HG1 . 11305 1 272 . 1 1 29 29 VAL HG12 H 1 0.806 0.030 . 1 . . . . 29 VAL HG1 . 11305 1 273 . 1 1 29 29 VAL HG13 H 1 0.806 0.030 . 1 . . . . 29 VAL HG1 . 11305 1 274 . 1 1 29 29 VAL HG21 H 1 0.896 0.030 . 1 . . . . 29 VAL HG2 . 11305 1 275 . 1 1 29 29 VAL HG22 H 1 0.896 0.030 . 1 . . . . 29 VAL HG2 . 11305 1 276 . 1 1 29 29 VAL HG23 H 1 0.896 0.030 . 1 . . . . 29 VAL HG2 . 11305 1 277 . 1 1 29 29 VAL C C 13 176.546 0.300 . 1 . . . . 29 VAL C . 11305 1 278 . 1 1 29 29 VAL CA C 13 60.579 0.300 . 1 . . . . 29 VAL CA . 11305 1 279 . 1 1 29 29 VAL CB C 13 35.211 0.300 . 1 . . . . 29 VAL CB . 11305 1 280 . 1 1 29 29 VAL CG1 C 13 21.376 0.300 . 2 . . . . 29 VAL CG1 . 11305 1 281 . 1 1 29 29 VAL CG2 C 13 21.485 0.300 . 2 . . . . 29 VAL CG2 . 11305 1 282 . 1 1 29 29 VAL N N 15 120.802 0.300 . 1 . . . . 29 VAL N . 11305 1 283 . 1 1 30 30 VAL H H 1 8.793 0.030 . 1 . . . . 30 VAL H . 11305 1 284 . 1 1 30 30 VAL HA H 1 4.279 0.030 . 1 . . . . 30 VAL HA . 11305 1 285 . 1 1 30 30 VAL HB H 1 1.804 0.030 . 1 . . . . 30 VAL HB . 11305 1 286 . 1 1 30 30 VAL HG11 H 1 0.919 0.030 . 1 . . . . 30 VAL HG1 . 11305 1 287 . 1 1 30 30 VAL HG12 H 1 0.919 0.030 . 1 . . . . 30 VAL HG1 . 11305 1 288 . 1 1 30 30 VAL HG13 H 1 0.919 0.030 . 1 . . . . 30 VAL HG1 . 11305 1 289 . 1 1 30 30 VAL HG21 H 1 0.491 0.030 . 1 . . . . 30 VAL HG2 . 11305 1 290 . 1 1 30 30 VAL HG22 H 1 0.491 0.030 . 1 . . . . 30 VAL HG2 . 11305 1 291 . 1 1 30 30 VAL HG23 H 1 0.491 0.030 . 1 . . . . 30 VAL HG2 . 11305 1 292 . 1 1 30 30 VAL C C 13 174.591 0.300 . 1 . . . . 30 VAL C . 11305 1 293 . 1 1 30 30 VAL CA C 13 61.701 0.300 . 1 . . . . 30 VAL CA . 11305 1 294 . 1 1 30 30 VAL CB C 13 33.471 0.300 . 1 . . . . 30 VAL CB . 11305 1 295 . 1 1 30 30 VAL CG1 C 13 21.930 0.300 . 2 . . . . 30 VAL CG1 . 11305 1 296 . 1 1 30 30 VAL CG2 C 13 20.456 0.300 . 2 . . . . 30 VAL CG2 . 11305 1 297 . 1 1 30 30 VAL N N 15 126.763 0.300 . 1 . . . . 30 VAL N . 11305 1 298 . 1 1 31 31 SER H H 1 8.550 0.030 . 1 . . . . 31 SER H . 11305 1 299 . 1 1 31 31 SER HA H 1 5.361 0.030 . 1 . . . . 31 SER HA . 11305 1 300 . 1 1 31 31 SER HB2 H 1 3.573 0.030 . 2 . . . . 31 SER HB2 . 11305 1 301 . 1 1 31 31 SER HB3 H 1 3.664 0.030 . 2 . . . . 31 SER HB3 . 11305 1 302 . 1 1 31 31 SER C C 13 173.666 0.300 . 1 . . . . 31 SER C . 11305 1 303 . 1 1 31 31 SER CA C 13 56.250 0.300 . 1 . . . . 31 SER CA . 11305 1 304 . 1 1 31 31 SER CB C 13 64.151 0.300 . 1 . . . . 31 SER CB . 11305 1 305 . 1 1 31 31 SER N N 15 122.736 0.300 . 1 . . . . 31 SER N . 11305 1 306 . 1 1 32 32 ALA H H 1 8.557 0.030 . 1 . . . . 32 ALA H . 11305 1 307 . 1 1 32 32 ALA HA H 1 4.460 0.030 . 1 . . . . 32 ALA HA . 11305 1 308 . 1 1 32 32 ALA HB1 H 1 0.976 0.030 . 1 . . . . 32 ALA HB . 11305 1 309 . 1 1 32 32 ALA HB2 H 1 0.976 0.030 . 1 . . . . 32 ALA HB . 11305 1 310 . 1 1 32 32 ALA HB3 H 1 0.976 0.030 . 1 . . . . 32 ALA HB . 11305 1 311 . 1 1 32 32 ALA C C 13 176.331 0.300 . 1 . . . . 32 ALA C . 11305 1 312 . 1 1 32 32 ALA CA C 13 52.177 0.300 . 1 . . . . 32 ALA CA . 11305 1 313 . 1 1 32 32 ALA CB C 13 22.201 0.300 . 1 . . . . 32 ALA CB . 11305 1 314 . 1 1 32 32 ALA N N 15 127.737 0.300 . 1 . . . . 32 ALA N . 11305 1 315 . 1 1 33 33 LEU H H 1 9.234 0.030 . 1 . . . . 33 LEU H . 11305 1 316 . 1 1 33 33 LEU HA H 1 3.871 0.030 . 1 . . . . 33 LEU HA . 11305 1 317 . 1 1 33 33 LEU HB2 H 1 1.519 0.030 . 2 . . . . 33 LEU HB2 . 11305 1 318 . 1 1 33 33 LEU HB3 H 1 1.762 0.030 . 2 . . . . 33 LEU HB3 . 11305 1 319 . 1 1 33 33 LEU HD11 H 1 0.797 0.030 . 1 . . . . 33 LEU HD1 . 11305 1 320 . 1 1 33 33 LEU HD12 H 1 0.797 0.030 . 1 . . . . 33 LEU HD1 . 11305 1 321 . 1 1 33 33 LEU HD13 H 1 0.797 0.030 . 1 . . . . 33 LEU HD1 . 11305 1 322 . 1 1 33 33 LEU HD21 H 1 0.782 0.030 . 1 . . . . 33 LEU HD2 . 11305 1 323 . 1 1 33 33 LEU HD22 H 1 0.782 0.030 . 1 . . . . 33 LEU HD2 . 11305 1 324 . 1 1 33 33 LEU HD23 H 1 0.782 0.030 . 1 . . . . 33 LEU HD2 . 11305 1 325 . 1 1 33 33 LEU HG H 1 1.445 0.030 . 1 . . . . 33 LEU HG . 11305 1 326 . 1 1 33 33 LEU C C 13 176.757 0.300 . 1 . . . . 33 LEU C . 11305 1 327 . 1 1 33 33 LEU CA C 13 55.344 0.300 . 1 . . . . 33 LEU CA . 11305 1 328 . 1 1 33 33 LEU CB C 13 38.832 0.300 . 1 . . . . 33 LEU CB . 11305 1 329 . 1 1 33 33 LEU CD1 C 13 25.857 0.300 . 2 . . . . 33 LEU CD1 . 11305 1 330 . 1 1 33 33 LEU CD2 C 13 23.076 0.300 . 2 . . . . 33 LEU CD2 . 11305 1 331 . 1 1 33 33 LEU CG C 13 26.961 0.300 . 1 . . . . 33 LEU CG . 11305 1 332 . 1 1 33 33 LEU N N 15 121.029 0.300 . 1 . . . . 33 LEU N . 11305 1 333 . 1 1 34 34 GLY H H 1 8.541 0.030 . 1 . . . . 34 GLY H . 11305 1 334 . 1 1 34 34 GLY HA2 H 1 4.037 0.030 . 2 . . . . 34 GLY HA2 . 11305 1 335 . 1 1 34 34 GLY HA3 H 1 3.522 0.030 . 2 . . . . 34 GLY HA3 . 11305 1 336 . 1 1 34 34 GLY C C 13 174.024 0.300 . 1 . . . . 34 GLY C . 11305 1 337 . 1 1 34 34 GLY CA C 13 45.381 0.300 . 1 . . . . 34 GLY CA . 11305 1 338 . 1 1 34 34 GLY N N 15 104.815 0.300 . 1 . . . . 34 GLY N . 11305 1 339 . 1 1 35 35 LYS H H 1 7.919 0.030 . 1 . . . . 35 LYS H . 11305 1 340 . 1 1 35 35 LYS HA H 1 4.420 0.030 . 1 . . . . 35 LYS HA . 11305 1 341 . 1 1 35 35 LYS HB2 H 1 1.096 0.030 . 2 . . . . 35 LYS HB2 . 11305 1 342 . 1 1 35 35 LYS HB3 H 1 1.707 0.030 . 2 . . . . 35 LYS HB3 . 11305 1 343 . 1 1 35 35 LYS HD2 H 1 0.763 0.030 . 2 . . . . 35 LYS HD2 . 11305 1 344 . 1 1 35 35 LYS HD3 H 1 0.828 0.030 . 2 . . . . 35 LYS HD3 . 11305 1 345 . 1 1 35 35 LYS HE2 H 1 2.215 0.030 . 2 . . . . 35 LYS HE2 . 11305 1 346 . 1 1 35 35 LYS HE3 H 1 2.286 0.030 . 2 . . . . 35 LYS HE3 . 11305 1 347 . 1 1 35 35 LYS HG2 H 1 0.657 0.030 . 2 . . . . 35 LYS HG2 . 11305 1 348 . 1 1 35 35 LYS HG3 H 1 0.708 0.030 . 2 . . . . 35 LYS HG3 . 11305 1 349 . 1 1 35 35 LYS C C 13 175.166 0.300 . 1 . . . . 35 LYS C . 11305 1 350 . 1 1 35 35 LYS CA C 13 53.690 0.300 . 1 . . . . 35 LYS CA . 11305 1 351 . 1 1 35 35 LYS CB C 13 35.108 0.300 . 1 . . . . 35 LYS CB . 11305 1 352 . 1 1 35 35 LYS CD C 13 27.908 0.300 . 1 . . . . 35 LYS CD . 11305 1 353 . 1 1 35 35 LYS CE C 13 42.306 0.300 . 1 . . . . 35 LYS CE . 11305 1 354 . 1 1 35 35 LYS CG C 13 24.462 0.300 . 1 . . . . 35 LYS CG . 11305 1 355 . 1 1 35 35 LYS N N 15 121.220 0.300 . 1 . . . . 35 LYS N . 11305 1 356 . 1 1 36 36 THR H H 1 7.615 0.030 . 1 . . . . 36 THR H . 11305 1 357 . 1 1 36 36 THR HA H 1 5.078 0.030 . 1 . . . . 36 THR HA . 11305 1 358 . 1 1 36 36 THR HB H 1 3.715 0.030 . 1 . . . . 36 THR HB . 11305 1 359 . 1 1 36 36 THR HG21 H 1 0.969 0.030 . 1 . . . . 36 THR HG2 . 11305 1 360 . 1 1 36 36 THR HG22 H 1 0.969 0.030 . 1 . . . . 36 THR HG2 . 11305 1 361 . 1 1 36 36 THR HG23 H 1 0.969 0.030 . 1 . . . . 36 THR HG2 . 11305 1 362 . 1 1 36 36 THR C C 13 173.697 0.300 . 1 . . . . 36 THR C . 11305 1 363 . 1 1 36 36 THR CA C 13 58.953 0.300 . 1 . . . . 36 THR CA . 11305 1 364 . 1 1 36 36 THR CB C 13 71.470 0.300 . 1 . . . . 36 THR CB . 11305 1 365 . 1 1 36 36 THR CG2 C 13 21.684 0.300 . 1 . . . . 36 THR CG2 . 11305 1 366 . 1 1 36 36 THR N N 15 109.698 0.300 . 1 . . . . 36 THR N . 11305 1 367 . 1 1 37 37 TYR H H 1 9.232 0.030 . 1 . . . . 37 TYR H . 11305 1 368 . 1 1 37 37 TYR HA H 1 5.971 0.030 . 1 . . . . 37 TYR HA . 11305 1 369 . 1 1 37 37 TYR HB2 H 1 3.406 0.030 . 2 . . . . 37 TYR HB2 . 11305 1 370 . 1 1 37 37 TYR HB3 H 1 2.395 0.030 . 2 . . . . 37 TYR HB3 . 11305 1 371 . 1 1 37 37 TYR HD1 H 1 6.922 0.030 . 1 . . . . 37 TYR HD1 . 11305 1 372 . 1 1 37 37 TYR HD2 H 1 6.922 0.030 . 1 . . . . 37 TYR HD2 . 11305 1 373 . 1 1 37 37 TYR HE1 H 1 6.854 0.030 . 1 . . . . 37 TYR HE1 . 11305 1 374 . 1 1 37 37 TYR HE2 H 1 6.854 0.030 . 1 . . . . 37 TYR HE2 . 11305 1 375 . 1 1 37 37 TYR C C 13 178.024 0.300 . 1 . . . . 37 TYR C . 11305 1 376 . 1 1 37 37 TYR CA C 13 56.874 0.300 . 1 . . . . 37 TYR CA . 11305 1 377 . 1 1 37 37 TYR CB C 13 43.916 0.300 . 1 . . . . 37 TYR CB . 11305 1 378 . 1 1 37 37 TYR CD1 C 13 133.496 0.300 . 1 . . . . 37 TYR CD1 . 11305 1 379 . 1 1 37 37 TYR CD2 C 13 133.496 0.300 . 1 . . . . 37 TYR CD2 . 11305 1 380 . 1 1 37 37 TYR CE1 C 13 118.460 0.300 . 1 . . . . 37 TYR CE1 . 11305 1 381 . 1 1 37 37 TYR CE2 C 13 118.460 0.300 . 1 . . . . 37 TYR CE2 . 11305 1 382 . 1 1 37 37 TYR N N 15 118.833 0.300 . 1 . . . . 37 TYR N . 11305 1 383 . 1 1 38 38 HIS H H 1 8.922 0.030 . 1 . . . . 38 HIS H . 11305 1 384 . 1 1 38 38 HIS HA H 1 4.791 0.030 . 1 . . . . 38 HIS HA . 11305 1 385 . 1 1 38 38 HIS HB2 H 1 3.690 0.030 . 1 . . . . 38 HIS HB2 . 11305 1 386 . 1 1 38 38 HIS HB3 H 1 3.690 0.030 . 1 . . . . 38 HIS HB3 . 11305 1 387 . 1 1 38 38 HIS HD2 H 1 7.791 0.030 . 1 . . . . 38 HIS HD2 . 11305 1 388 . 1 1 38 38 HIS HE1 H 1 7.316 0.030 . 1 . . . . 38 HIS HE1 . 11305 1 389 . 1 1 38 38 HIS C C 13 176.379 0.300 . 1 . . . . 38 HIS C . 11305 1 390 . 1 1 38 38 HIS CA C 13 58.173 0.300 . 1 . . . . 38 HIS CA . 11305 1 391 . 1 1 38 38 HIS CB C 13 30.364 0.300 . 1 . . . . 38 HIS CB . 11305 1 392 . 1 1 38 38 HIS CD2 C 13 120.184 0.300 . 1 . . . . 38 HIS CD2 . 11305 1 393 . 1 1 38 38 HIS CE1 C 13 138.627 0.300 . 1 . . . . 38 HIS CE1 . 11305 1 394 . 1 1 38 38 HIS N N 15 119.808 0.300 . 1 . . . . 38 HIS N . 11305 1 395 . 1 1 39 39 PRO HA H 1 4.287 0.030 . 1 . . . . 39 PRO HA . 11305 1 396 . 1 1 39 39 PRO HB2 H 1 2.462 0.030 . 2 . . . . 39 PRO HB2 . 11305 1 397 . 1 1 39 39 PRO HB3 H 1 2.057 0.030 . 2 . . . . 39 PRO HB3 . 11305 1 398 . 1 1 39 39 PRO HD2 H 1 4.103 0.030 . 2 . . . . 39 PRO HD2 . 11305 1 399 . 1 1 39 39 PRO HD3 H 1 4.250 0.030 . 2 . . . . 39 PRO HD3 . 11305 1 400 . 1 1 39 39 PRO HG2 H 1 1.896 0.030 . 2 . . . . 39 PRO HG2 . 11305 1 401 . 1 1 39 39 PRO HG3 H 1 2.280 0.030 . 2 . . . . 39 PRO HG3 . 11305 1 402 . 1 1 39 39 PRO C C 13 179.070 0.300 . 1 . . . . 39 PRO C . 11305 1 403 . 1 1 39 39 PRO CA C 13 66.681 0.300 . 1 . . . . 39 PRO CA . 11305 1 404 . 1 1 39 39 PRO CB C 13 31.796 0.300 . 1 . . . . 39 PRO CB . 11305 1 405 . 1 1 39 39 PRO CD C 13 50.181 0.300 . 1 . . . . 39 PRO CD . 11305 1 406 . 1 1 39 39 PRO CG C 13 28.154 0.300 . 1 . . . . 39 PRO CG . 11305 1 407 . 1 1 40 40 ASP H H 1 8.599 0.030 . 1 . . . . 40 ASP H . 11305 1 408 . 1 1 40 40 ASP HA H 1 4.502 0.030 . 1 . . . . 40 ASP HA . 11305 1 409 . 1 1 40 40 ASP HB2 H 1 2.635 0.030 . 2 . . . . 40 ASP HB2 . 11305 1 410 . 1 1 40 40 ASP HB3 H 1 2.784 0.030 . 2 . . . . 40 ASP HB3 . 11305 1 411 . 1 1 40 40 ASP C C 13 176.751 0.300 . 1 . . . . 40 ASP C . 11305 1 412 . 1 1 40 40 ASP CA C 13 55.773 0.300 . 1 . . . . 40 ASP CA . 11305 1 413 . 1 1 40 40 ASP CB C 13 40.254 0.300 . 1 . . . . 40 ASP CB . 11305 1 414 . 1 1 40 40 ASP N N 15 112.009 0.300 . 1 . . . . 40 ASP N . 11305 1 415 . 1 1 41 41 CYS H H 1 7.784 0.030 . 1 . . . . 41 CYS H . 11305 1 416 . 1 1 41 41 CYS HA H 1 4.498 0.030 . 1 . . . . 41 CYS HA . 11305 1 417 . 1 1 41 41 CYS HB2 H 1 3.376 0.030 . 2 . . . . 41 CYS HB2 . 11305 1 418 . 1 1 41 41 CYS HB3 H 1 3.531 0.030 . 2 . . . . 41 CYS HB3 . 11305 1 419 . 1 1 41 41 CYS C C 13 175.293 0.300 . 1 . . . . 41 CYS C . 11305 1 420 . 1 1 41 41 CYS CA C 13 60.856 0.300 . 1 . . . . 41 CYS CA . 11305 1 421 . 1 1 41 41 CYS CB C 13 31.869 0.300 . 1 . . . . 41 CYS CB . 11305 1 422 . 1 1 41 41 CYS N N 15 114.986 0.300 . 1 . . . . 41 CYS N . 11305 1 423 . 1 1 42 42 PHE H H 1 7.414 0.030 . 1 . . . . 42 PHE H . 11305 1 424 . 1 1 42 42 PHE HA H 1 4.547 0.030 . 1 . . . . 42 PHE HA . 11305 1 425 . 1 1 42 42 PHE HB2 H 1 3.182 0.030 . 2 . . . . 42 PHE HB2 . 11305 1 426 . 1 1 42 42 PHE HB3 H 1 2.373 0.030 . 2 . . . . 42 PHE HB3 . 11305 1 427 . 1 1 42 42 PHE HD1 H 1 6.541 0.030 . 1 . . . . 42 PHE HD1 . 11305 1 428 . 1 1 42 42 PHE HD2 H 1 6.541 0.030 . 1 . . . . 42 PHE HD2 . 11305 1 429 . 1 1 42 42 PHE HE1 H 1 6.920 0.030 . 1 . . . . 42 PHE HE1 . 11305 1 430 . 1 1 42 42 PHE HE2 H 1 6.920 0.030 . 1 . . . . 42 PHE HE2 . 11305 1 431 . 1 1 42 42 PHE HZ H 1 6.745 0.030 . 1 . . . . 42 PHE HZ . 11305 1 432 . 1 1 42 42 PHE C C 13 172.393 0.300 . 1 . . . . 42 PHE C . 11305 1 433 . 1 1 42 42 PHE CA C 13 56.586 0.300 . 1 . . . . 42 PHE CA . 11305 1 434 . 1 1 42 42 PHE CB C 13 37.209 0.300 . 1 . . . . 42 PHE CB . 11305 1 435 . 1 1 42 42 PHE CD1 C 13 131.339 0.300 . 1 . . . . 42 PHE CD1 . 11305 1 436 . 1 1 42 42 PHE CD2 C 13 131.339 0.300 . 1 . . . . 42 PHE CD2 . 11305 1 437 . 1 1 42 42 PHE CE1 C 13 131.303 0.300 . 1 . . . . 42 PHE CE1 . 11305 1 438 . 1 1 42 42 PHE CE2 C 13 131.303 0.300 . 1 . . . . 42 PHE CE2 . 11305 1 439 . 1 1 42 42 PHE CZ C 13 129.453 0.300 . 1 . . . . 42 PHE CZ . 11305 1 440 . 1 1 42 42 PHE N N 15 124.816 0.300 . 1 . . . . 42 PHE N . 11305 1 441 . 1 1 43 43 VAL H H 1 7.133 0.030 . 1 . . . . 43 VAL H . 11305 1 442 . 1 1 43 43 VAL HA H 1 3.741 0.030 . 1 . . . . 43 VAL HA . 11305 1 443 . 1 1 43 43 VAL HB H 1 1.224 0.030 . 1 . . . . 43 VAL HB . 11305 1 444 . 1 1 43 43 VAL HG11 H 1 0.462 0.030 . 1 . . . . 43 VAL HG1 . 11305 1 445 . 1 1 43 43 VAL HG12 H 1 0.462 0.030 . 1 . . . . 43 VAL HG1 . 11305 1 446 . 1 1 43 43 VAL HG13 H 1 0.462 0.030 . 1 . . . . 43 VAL HG1 . 11305 1 447 . 1 1 43 43 VAL HG21 H 1 0.403 0.030 . 1 . . . . 43 VAL HG2 . 11305 1 448 . 1 1 43 43 VAL HG22 H 1 0.403 0.030 . 1 . . . . 43 VAL HG2 . 11305 1 449 . 1 1 43 43 VAL HG23 H 1 0.403 0.030 . 1 . . . . 43 VAL HG2 . 11305 1 450 . 1 1 43 43 VAL C C 13 173.592 0.300 . 1 . . . . 43 VAL C . 11305 1 451 . 1 1 43 43 VAL CA C 13 57.722 0.300 . 1 . . . . 43 VAL CA . 11305 1 452 . 1 1 43 43 VAL CB C 13 35.623 0.300 . 1 . . . . 43 VAL CB . 11305 1 453 . 1 1 43 43 VAL CG1 C 13 21.046 0.300 . 2 . . . . 43 VAL CG1 . 11305 1 454 . 1 1 43 43 VAL CG2 C 13 17.211 0.300 . 2 . . . . 43 VAL CG2 . 11305 1 455 . 1 1 43 43 VAL N N 15 114.268 0.300 . 1 . . . . 43 VAL N . 11305 1 456 . 1 1 44 44 CYS H H 1 7.150 0.030 . 1 . . . . 44 CYS H . 11305 1 457 . 1 1 44 44 CYS HA H 1 4.072 0.030 . 1 . . . . 44 CYS HA . 11305 1 458 . 1 1 44 44 CYS HB2 H 1 3.294 0.030 . 2 . . . . 44 CYS HB2 . 11305 1 459 . 1 1 44 44 CYS HB3 H 1 2.409 0.030 . 2 . . . . 44 CYS HB3 . 11305 1 460 . 1 1 44 44 CYS C C 13 177.237 0.300 . 1 . . . . 44 CYS C . 11305 1 461 . 1 1 44 44 CYS CA C 13 59.685 0.300 . 1 . . . . 44 CYS CA . 11305 1 462 . 1 1 44 44 CYS CB C 13 31.114 0.300 . 1 . . . . 44 CYS CB . 11305 1 463 . 1 1 44 44 CYS N N 15 122.880 0.300 . 1 . . . . 44 CYS N . 11305 1 464 . 1 1 45 45 ALA H H 1 9.047 0.030 . 1 . . . . 45 ALA H . 11305 1 465 . 1 1 45 45 ALA HA H 1 4.162 0.030 . 1 . . . . 45 ALA HA . 11305 1 466 . 1 1 45 45 ALA HB1 H 1 1.592 0.030 . 1 . . . . 45 ALA HB . 11305 1 467 . 1 1 45 45 ALA HB2 H 1 1.592 0.030 . 1 . . . . 45 ALA HB . 11305 1 468 . 1 1 45 45 ALA HB3 H 1 1.592 0.030 . 1 . . . . 45 ALA HB . 11305 1 469 . 1 1 45 45 ALA C C 13 178.030 0.300 . 1 . . . . 45 ALA C . 11305 1 470 . 1 1 45 45 ALA CA C 13 54.707 0.300 . 1 . . . . 45 ALA CA . 11305 1 471 . 1 1 45 45 ALA CB C 13 20.017 0.300 . 1 . . . . 45 ALA CB . 11305 1 472 . 1 1 45 45 ALA N N 15 131.067 0.300 . 1 . . . . 45 ALA N . 11305 1 473 . 1 1 46 46 VAL H H 1 9.195 0.030 . 1 . . . . 46 VAL H . 11305 1 474 . 1 1 46 46 VAL HA H 1 4.020 0.030 . 1 . . . . 46 VAL HA . 11305 1 475 . 1 1 46 46 VAL HB H 1 2.632 0.030 . 1 . . . . 46 VAL HB . 11305 1 476 . 1 1 46 46 VAL HG11 H 1 0.988 0.030 . 1 . . . . 46 VAL HG1 . 11305 1 477 . 1 1 46 46 VAL HG12 H 1 0.988 0.030 . 1 . . . . 46 VAL HG1 . 11305 1 478 . 1 1 46 46 VAL HG13 H 1 0.988 0.030 . 1 . . . . 46 VAL HG1 . 11305 1 479 . 1 1 46 46 VAL HG21 H 1 2.052 0.030 . 1 . . . . 46 VAL HG2 . 11305 1 480 . 1 1 46 46 VAL HG22 H 1 2.052 0.030 . 1 . . . . 46 VAL HG2 . 11305 1 481 . 1 1 46 46 VAL HG23 H 1 2.052 0.030 . 1 . . . . 46 VAL HG2 . 11305 1 482 . 1 1 46 46 VAL C C 13 177.036 0.300 . 1 . . . . 46 VAL C . 11305 1 483 . 1 1 46 46 VAL CA C 13 65.230 0.300 . 1 . . . . 46 VAL CA . 11305 1 484 . 1 1 46 46 VAL CB C 13 32.075 0.300 . 1 . . . . 46 VAL CB . 11305 1 485 . 1 1 46 46 VAL CG1 C 13 21.709 0.300 . 2 . . . . 46 VAL CG1 . 11305 1 486 . 1 1 46 46 VAL CG2 C 13 17.088 0.300 . 2 . . . . 46 VAL CG2 . 11305 1 487 . 1 1 46 46 VAL N N 15 120.368 0.300 . 1 . . . . 46 VAL N . 11305 1 488 . 1 1 47 47 CYS H H 1 8.265 0.030 . 1 . . . . 47 CYS H . 11305 1 489 . 1 1 47 47 CYS HA H 1 4.566 0.030 . 1 . . . . 47 CYS HA . 11305 1 490 . 1 1 47 47 CYS HB2 H 1 3.119 0.030 . 2 . . . . 47 CYS HB2 . 11305 1 491 . 1 1 47 47 CYS HB3 H 1 2.704 0.030 . 2 . . . . 47 CYS HB3 . 11305 1 492 . 1 1 47 47 CYS C C 13 175.778 0.300 . 1 . . . . 47 CYS C . 11305 1 493 . 1 1 47 47 CYS CA C 13 59.787 0.300 . 1 . . . . 47 CYS CA . 11305 1 494 . 1 1 47 47 CYS CB C 13 31.142 0.300 . 1 . . . . 47 CYS CB . 11305 1 495 . 1 1 47 47 CYS N N 15 119.243 0.300 . 1 . . . . 47 CYS N . 11305 1 496 . 1 1 48 48 ARG H H 1 7.516 0.030 . 1 . . . . 48 ARG H . 11305 1 497 . 1 1 48 48 ARG HA H 1 4.101 0.030 . 1 . . . . 48 ARG HA . 11305 1 498 . 1 1 48 48 ARG HB2 H 1 2.087 0.030 . 2 . . . . 48 ARG HB2 . 11305 1 499 . 1 1 48 48 ARG HB3 H 1 2.002 0.030 . 2 . . . . 48 ARG HB3 . 11305 1 500 . 1 1 48 48 ARG HD2 H 1 3.106 0.030 . 1 . . . . 48 ARG HD2 . 11305 1 501 . 1 1 48 48 ARG HD3 H 1 3.106 0.030 . 1 . . . . 48 ARG HD3 . 11305 1 502 . 1 1 48 48 ARG HG2 H 1 1.563 0.030 . 2 . . . . 48 ARG HG2 . 11305 1 503 . 1 1 48 48 ARG HG3 H 1 1.419 0.030 . 2 . . . . 48 ARG HG3 . 11305 1 504 . 1 1 48 48 ARG C C 13 174.707 0.300 . 1 . . . . 48 ARG C . 11305 1 505 . 1 1 48 48 ARG CA C 13 56.208 0.300 . 1 . . . . 48 ARG CA . 11305 1 506 . 1 1 48 48 ARG CB C 13 25.533 0.300 . 1 . . . . 48 ARG CB . 11305 1 507 . 1 1 48 48 ARG CD C 13 42.096 0.300 . 1 . . . . 48 ARG CD . 11305 1 508 . 1 1 48 48 ARG CG C 13 26.182 0.300 . 1 . . . . 48 ARG CG . 11305 1 509 . 1 1 48 48 ARG N N 15 114.486 0.300 . 1 . . . . 48 ARG N . 11305 1 510 . 1 1 49 49 LEU H H 1 7.713 0.030 . 1 . . . . 49 LEU H . 11305 1 511 . 1 1 49 49 LEU HA H 1 4.779 0.030 . 1 . . . . 49 LEU HA . 11305 1 512 . 1 1 49 49 LEU HB2 H 1 1.300 0.030 . 2 . . . . 49 LEU HB2 . 11305 1 513 . 1 1 49 49 LEU HB3 H 1 1.942 0.030 . 2 . . . . 49 LEU HB3 . 11305 1 514 . 1 1 49 49 LEU HD11 H 1 0.937 0.030 . 1 . . . . 49 LEU HD1 . 11305 1 515 . 1 1 49 49 LEU HD12 H 1 0.937 0.030 . 1 . . . . 49 LEU HD1 . 11305 1 516 . 1 1 49 49 LEU HD13 H 1 0.937 0.030 . 1 . . . . 49 LEU HD1 . 11305 1 517 . 1 1 49 49 LEU HD21 H 1 0.886 0.030 . 1 . . . . 49 LEU HD2 . 11305 1 518 . 1 1 49 49 LEU HD22 H 1 0.886 0.030 . 1 . . . . 49 LEU HD2 . 11305 1 519 . 1 1 49 49 LEU HD23 H 1 0.886 0.030 . 1 . . . . 49 LEU HD2 . 11305 1 520 . 1 1 49 49 LEU HG H 1 1.675 0.030 . 1 . . . . 49 LEU HG . 11305 1 521 . 1 1 49 49 LEU C C 13 175.393 0.300 . 1 . . . . 49 LEU C . 11305 1 522 . 1 1 49 49 LEU CA C 13 52.634 0.300 . 1 . . . . 49 LEU CA . 11305 1 523 . 1 1 49 49 LEU CB C 13 41.528 0.300 . 1 . . . . 49 LEU CB . 11305 1 524 . 1 1 49 49 LEU CD1 C 13 25.436 0.300 . 2 . . . . 49 LEU CD1 . 11305 1 525 . 1 1 49 49 LEU CD2 C 13 22.605 0.300 . 2 . . . . 49 LEU CD2 . 11305 1 526 . 1 1 49 49 LEU CG C 13 26.666 0.300 . 1 . . . . 49 LEU CG . 11305 1 527 . 1 1 49 49 LEU N N 15 120.272 0.300 . 1 . . . . 49 LEU N . 11305 1 528 . 1 1 50 50 PRO HA H 1 4.283 0.030 . 1 . . . . 50 PRO HA . 11305 1 529 . 1 1 50 50 PRO HB2 H 1 2.317 0.030 . 2 . . . . 50 PRO HB2 . 11305 1 530 . 1 1 50 50 PRO HB3 H 1 1.775 0.030 . 2 . . . . 50 PRO HB3 . 11305 1 531 . 1 1 50 50 PRO HD2 H 1 3.555 0.030 . 2 . . . . 50 PRO HD2 . 11305 1 532 . 1 1 50 50 PRO HD3 H 1 3.803 0.030 . 2 . . . . 50 PRO HD3 . 11305 1 533 . 1 1 50 50 PRO HG2 H 1 1.928 0.030 . 2 . . . . 50 PRO HG2 . 11305 1 534 . 1 1 50 50 PRO HG3 H 1 1.987 0.030 . 2 . . . . 50 PRO HG3 . 11305 1 535 . 1 1 50 50 PRO C C 13 176.362 0.300 . 1 . . . . 50 PRO C . 11305 1 536 . 1 1 50 50 PRO CA C 13 62.178 0.300 . 1 . . . . 50 PRO CA . 11305 1 537 . 1 1 50 50 PRO CB C 13 32.185 0.300 . 1 . . . . 50 PRO CB . 11305 1 538 . 1 1 50 50 PRO CD C 13 50.645 0.300 . 1 . . . . 50 PRO CD . 11305 1 539 . 1 1 50 50 PRO CG C 13 27.466 0.300 . 1 . . . . 50 PRO CG . 11305 1 540 . 1 1 51 51 PHE H H 1 7.791 0.030 . 1 . . . . 51 PHE H . 11305 1 541 . 1 1 51 51 PHE HA H 1 4.509 0.030 . 1 . . . . 51 PHE HA . 11305 1 542 . 1 1 51 51 PHE HB2 H 1 2.888 0.030 . 2 . . . . 51 PHE HB2 . 11305 1 543 . 1 1 51 51 PHE HB3 H 1 2.552 0.030 . 2 . . . . 51 PHE HB3 . 11305 1 544 . 1 1 51 51 PHE HD1 H 1 6.571 0.030 . 1 . . . . 51 PHE HD1 . 11305 1 545 . 1 1 51 51 PHE HD2 H 1 6.571 0.030 . 1 . . . . 51 PHE HD2 . 11305 1 546 . 1 1 51 51 PHE HE1 H 1 6.232 0.030 . 1 . . . . 51 PHE HE1 . 11305 1 547 . 1 1 51 51 PHE HE2 H 1 6.232 0.030 . 1 . . . . 51 PHE HE2 . 11305 1 548 . 1 1 51 51 PHE HZ H 1 6.466 0.030 . 1 . . . . 51 PHE HZ . 11305 1 549 . 1 1 51 51 PHE C C 13 176.375 0.300 . 1 . . . . 51 PHE C . 11305 1 550 . 1 1 51 51 PHE CA C 13 56.337 0.300 . 1 . . . . 51 PHE CA . 11305 1 551 . 1 1 51 51 PHE CB C 13 38.525 0.300 . 1 . . . . 51 PHE CB . 11305 1 552 . 1 1 51 51 PHE CD1 C 13 131.857 0.300 . 1 . . . . 51 PHE CD1 . 11305 1 553 . 1 1 51 51 PHE CD2 C 13 131.857 0.300 . 1 . . . . 51 PHE CD2 . 11305 1 554 . 1 1 51 51 PHE CE1 C 13 130.029 0.300 . 1 . . . . 51 PHE CE1 . 11305 1 555 . 1 1 51 51 PHE CE2 C 13 130.029 0.300 . 1 . . . . 51 PHE CE2 . 11305 1 556 . 1 1 51 51 PHE CZ C 13 128.386 0.300 . 1 . . . . 51 PHE CZ . 11305 1 557 . 1 1 51 51 PHE N N 15 122.073 0.300 . 1 . . . . 51 PHE N . 11305 1 558 . 1 1 52 52 PRO HA H 1 4.756 0.030 . 1 . . . . 52 PRO HA . 11305 1 559 . 1 1 52 52 PRO HB2 H 1 1.883 0.030 . 2 . . . . 52 PRO HB2 . 11305 1 560 . 1 1 52 52 PRO HB3 H 1 2.387 0.030 . 2 . . . . 52 PRO HB3 . 11305 1 561 . 1 1 52 52 PRO HD2 H 1 4.230 0.030 . 2 . . . . 52 PRO HD2 . 11305 1 562 . 1 1 52 52 PRO HD3 H 1 3.790 0.030 . 2 . . . . 52 PRO HD3 . 11305 1 563 . 1 1 52 52 PRO HG2 H 1 2.039 0.030 . 2 . . . . 52 PRO HG2 . 11305 1 564 . 1 1 52 52 PRO HG3 H 1 2.154 0.030 . 2 . . . . 52 PRO HG3 . 11305 1 565 . 1 1 52 52 PRO CA C 13 61.309 0.300 . 1 . . . . 52 PRO CA . 11305 1 566 . 1 1 52 52 PRO CB C 13 31.030 0.300 . 1 . . . . 52 PRO CB . 11305 1 567 . 1 1 52 52 PRO CD C 13 50.927 0.300 . 1 . . . . 52 PRO CD . 11305 1 568 . 1 1 52 52 PRO CG C 13 27.861 0.300 . 1 . . . . 52 PRO CG . 11305 1 569 . 1 1 53 53 PRO HA H 1 4.404 0.030 . 1 . . . . 53 PRO HA . 11305 1 570 . 1 1 53 53 PRO HB2 H 1 1.941 0.030 . 2 . . . . 53 PRO HB2 . 11305 1 571 . 1 1 53 53 PRO HB3 H 1 2.321 0.030 . 2 . . . . 53 PRO HB3 . 11305 1 572 . 1 1 53 53 PRO HD2 H 1 3.682 0.030 . 2 . . . . 53 PRO HD2 . 11305 1 573 . 1 1 53 53 PRO HD3 H 1 3.914 0.030 . 2 . . . . 53 PRO HD3 . 11305 1 574 . 1 1 53 53 PRO HG2 H 1 2.039 0.030 . 2 . . . . 53 PRO HG2 . 11305 1 575 . 1 1 53 53 PRO HG3 H 1 2.153 0.030 . 2 . . . . 53 PRO HG3 . 11305 1 576 . 1 1 53 53 PRO CA C 13 64.026 0.300 . 1 . . . . 53 PRO CA . 11305 1 577 . 1 1 53 53 PRO CB C 13 31.603 0.300 . 1 . . . . 53 PRO CB . 11305 1 578 . 1 1 53 53 PRO CD C 13 50.529 0.300 . 1 . . . . 53 PRO CD . 11305 1 579 . 1 1 53 53 PRO CG C 13 27.851 0.300 . 1 . . . . 53 PRO CG . 11305 1 580 . 1 1 54 54 GLY HA2 H 1 4.162 0.030 . 2 . . . . 54 GLY HA2 . 11305 1 581 . 1 1 54 54 GLY HA3 H 1 3.811 0.030 . 2 . . . . 54 GLY HA3 . 11305 1 582 . 1 1 54 54 GLY C C 13 174.577 0.300 . 1 . . . . 54 GLY C . 11305 1 583 . 1 1 54 54 GLY CA C 13 45.459 0.300 . 1 . . . . 54 GLY CA . 11305 1 584 . 1 1 55 55 ASP H H 1 7.617 0.030 . 1 . . . . 55 ASP H . 11305 1 585 . 1 1 55 55 ASP HA H 1 4.579 0.030 . 1 . . . . 55 ASP HA . 11305 1 586 . 1 1 55 55 ASP HB2 H 1 2.548 0.030 . 2 . . . . 55 ASP HB2 . 11305 1 587 . 1 1 55 55 ASP HB3 H 1 2.856 0.030 . 2 . . . . 55 ASP HB3 . 11305 1 588 . 1 1 55 55 ASP C C 13 176.889 0.300 . 1 . . . . 55 ASP C . 11305 1 589 . 1 1 55 55 ASP CA C 13 54.765 0.300 . 1 . . . . 55 ASP CA . 11305 1 590 . 1 1 55 55 ASP CB C 13 42.238 0.300 . 1 . . . . 55 ASP CB . 11305 1 591 . 1 1 55 55 ASP N N 15 121.639 0.300 . 1 . . . . 55 ASP N . 11305 1 592 . 1 1 56 56 ARG H H 1 8.535 0.030 . 1 . . . . 56 ARG H . 11305 1 593 . 1 1 56 56 ARG HA H 1 4.315 0.030 . 1 . . . . 56 ARG HA . 11305 1 594 . 1 1 56 56 ARG HB2 H 1 1.729 0.030 . 1 . . . . 56 ARG HB2 . 11305 1 595 . 1 1 56 56 ARG HB3 H 1 1.729 0.030 . 1 . . . . 56 ARG HB3 . 11305 1 596 . 1 1 56 56 ARG HD2 H 1 3.176 0.030 . 1 . . . . 56 ARG HD2 . 11305 1 597 . 1 1 56 56 ARG HD3 H 1 3.176 0.030 . 1 . . . . 56 ARG HD3 . 11305 1 598 . 1 1 56 56 ARG HG2 H 1 1.526 0.030 . 2 . . . . 56 ARG HG2 . 11305 1 599 . 1 1 56 56 ARG HG3 H 1 1.655 0.030 . 2 . . . . 56 ARG HG3 . 11305 1 600 . 1 1 56 56 ARG C C 13 175.355 0.300 . 1 . . . . 56 ARG C . 11305 1 601 . 1 1 56 56 ARG CA C 13 56.064 0.300 . 1 . . . . 56 ARG CA . 11305 1 602 . 1 1 56 56 ARG CB C 13 30.214 0.300 . 1 . . . . 56 ARG CB . 11305 1 603 . 1 1 56 56 ARG CD C 13 43.413 0.300 . 1 . . . . 56 ARG CD . 11305 1 604 . 1 1 56 56 ARG CG C 13 27.245 0.300 . 1 . . . . 56 ARG CG . 11305 1 605 . 1 1 56 56 ARG N N 15 123.149 0.300 . 1 . . . . 56 ARG N . 11305 1 606 . 1 1 57 57 VAL H H 1 7.972 0.030 . 1 . . . . 57 VAL H . 11305 1 607 . 1 1 57 57 VAL HA H 1 3.967 0.030 . 1 . . . . 57 VAL HA . 11305 1 608 . 1 1 57 57 VAL HB H 1 1.628 0.030 . 1 . . . . 57 VAL HB . 11305 1 609 . 1 1 57 57 VAL HG11 H 1 0.156 0.030 . 1 . . . . 57 VAL HG1 . 11305 1 610 . 1 1 57 57 VAL HG12 H 1 0.156 0.030 . 1 . . . . 57 VAL HG1 . 11305 1 611 . 1 1 57 57 VAL HG13 H 1 0.156 0.030 . 1 . . . . 57 VAL HG1 . 11305 1 612 . 1 1 57 57 VAL HG21 H 1 0.247 0.030 . 1 . . . . 57 VAL HG2 . 11305 1 613 . 1 1 57 57 VAL HG22 H 1 0.247 0.030 . 1 . . . . 57 VAL HG2 . 11305 1 614 . 1 1 57 57 VAL HG23 H 1 0.247 0.030 . 1 . . . . 57 VAL HG2 . 11305 1 615 . 1 1 57 57 VAL C C 13 175.849 0.300 . 1 . . . . 57 VAL C . 11305 1 616 . 1 1 57 57 VAL CA C 13 61.793 0.300 . 1 . . . . 57 VAL CA . 11305 1 617 . 1 1 57 57 VAL CB C 13 32.919 0.300 . 1 . . . . 57 VAL CB . 11305 1 618 . 1 1 57 57 VAL CG1 C 13 21.332 0.300 . 2 . . . . 57 VAL CG1 . 11305 1 619 . 1 1 57 57 VAL CG2 C 13 20.158 0.300 . 2 . . . . 57 VAL CG2 . 11305 1 620 . 1 1 57 57 VAL N N 15 124.163 0.300 . 1 . . . . 57 VAL N . 11305 1 621 . 1 1 58 58 THR H H 1 8.443 0.030 . 1 . . . . 58 THR H . 11305 1 622 . 1 1 58 58 THR HA H 1 4.486 0.030 . 1 . . . . 58 THR HA . 11305 1 623 . 1 1 58 58 THR HB H 1 4.005 0.030 . 1 . . . . 58 THR HB . 11305 1 624 . 1 1 58 58 THR HG21 H 1 1.155 0.030 . 1 . . . . 58 THR HG2 . 11305 1 625 . 1 1 58 58 THR HG22 H 1 1.155 0.030 . 1 . . . . 58 THR HG2 . 11305 1 626 . 1 1 58 58 THR HG23 H 1 1.155 0.030 . 1 . . . . 58 THR HG2 . 11305 1 627 . 1 1 58 58 THR C C 13 172.851 0.300 . 1 . . . . 58 THR C . 11305 1 628 . 1 1 58 58 THR CA C 13 61.468 0.300 . 1 . . . . 58 THR CA . 11305 1 629 . 1 1 58 58 THR CB C 13 70.726 0.300 . 1 . . . . 58 THR CB . 11305 1 630 . 1 1 58 58 THR CG2 C 13 21.438 0.300 . 1 . . . . 58 THR CG2 . 11305 1 631 . 1 1 58 58 THR N N 15 119.965 0.300 . 1 . . . . 58 THR N . 11305 1 632 . 1 1 59 59 PHE H H 1 8.846 0.030 . 1 . . . . 59 PHE H . 11305 1 633 . 1 1 59 59 PHE HA H 1 5.331 0.030 . 1 . . . . 59 PHE HA . 11305 1 634 . 1 1 59 59 PHE HB2 H 1 2.987 0.030 . 2 . . . . 59 PHE HB2 . 11305 1 635 . 1 1 59 59 PHE HB3 H 1 3.106 0.030 . 2 . . . . 59 PHE HB3 . 11305 1 636 . 1 1 59 59 PHE HD1 H 1 7.313 0.030 . 1 . . . . 59 PHE HD1 . 11305 1 637 . 1 1 59 59 PHE HD2 H 1 7.313 0.030 . 1 . . . . 59 PHE HD2 . 11305 1 638 . 1 1 59 59 PHE HE1 H 1 7.308 0.030 . 1 . . . . 59 PHE HE1 . 11305 1 639 . 1 1 59 59 PHE HE2 H 1 7.308 0.030 . 1 . . . . 59 PHE HE2 . 11305 1 640 . 1 1 59 59 PHE HZ H 1 7.182 0.030 . 1 . . . . 59 PHE HZ . 11305 1 641 . 1 1 59 59 PHE C C 13 175.787 0.300 . 1 . . . . 59 PHE C . 11305 1 642 . 1 1 59 59 PHE CA C 13 56.722 0.300 . 1 . . . . 59 PHE CA . 11305 1 643 . 1 1 59 59 PHE CB C 13 41.410 0.300 . 1 . . . . 59 PHE CB . 11305 1 644 . 1 1 59 59 PHE CD1 C 13 132.237 0.300 . 1 . . . . 59 PHE CD1 . 11305 1 645 . 1 1 59 59 PHE CD2 C 13 132.237 0.300 . 1 . . . . 59 PHE CD2 . 11305 1 646 . 1 1 59 59 PHE CE1 C 13 131.678 0.300 . 1 . . . . 59 PHE CE1 . 11305 1 647 . 1 1 59 59 PHE CE2 C 13 131.678 0.300 . 1 . . . . 59 PHE CE2 . 11305 1 648 . 1 1 59 59 PHE CZ C 13 129.834 0.300 . 1 . . . . 59 PHE CZ . 11305 1 649 . 1 1 59 59 PHE N N 15 124.431 0.300 . 1 . . . . 59 PHE N . 11305 1 650 . 1 1 60 60 ASN H H 1 8.503 0.030 . 1 . . . . 60 ASN H . 11305 1 651 . 1 1 60 60 ASN HA H 1 4.882 0.030 . 1 . . . . 60 ASN HA . 11305 1 652 . 1 1 60 60 ASN HB2 H 1 2.945 0.030 . 2 . . . . 60 ASN HB2 . 11305 1 653 . 1 1 60 60 ASN HB3 H 1 2.790 0.030 . 2 . . . . 60 ASN HB3 . 11305 1 654 . 1 1 60 60 ASN HD21 H 1 7.315 0.030 . 2 . . . . 60 ASN HD21 . 11305 1 655 . 1 1 60 60 ASN HD22 H 1 7.687 0.030 . 2 . . . . 60 ASN HD22 . 11305 1 656 . 1 1 60 60 ASN C C 13 175.786 0.300 . 1 . . . . 60 ASN C . 11305 1 657 . 1 1 60 60 ASN CA C 13 52.067 0.300 . 1 . . . . 60 ASN CA . 11305 1 658 . 1 1 60 60 ASN CB C 13 39.143 0.300 . 1 . . . . 60 ASN CB . 11305 1 659 . 1 1 60 60 ASN N N 15 123.430 0.300 . 1 . . . . 60 ASN N . 11305 1 660 . 1 1 60 60 ASN ND2 N 15 112.602 0.300 . 1 . . . . 60 ASN ND2 . 11305 1 661 . 1 1 61 61 GLY HA2 H 1 4.229 0.030 . 2 . . . . 61 GLY HA2 . 11305 1 662 . 1 1 61 61 GLY HA3 H 1 3.468 0.030 . 2 . . . . 61 GLY HA3 . 11305 1 663 . 1 1 61 61 GLY C C 13 176.817 0.300 . 1 . . . . 61 GLY C . 11305 1 664 . 1 1 61 61 GLY CA C 13 46.337 0.300 . 1 . . . . 61 GLY CA . 11305 1 665 . 1 1 62 62 LYS H H 1 8.519 0.030 . 1 . . . . 62 LYS H . 11305 1 666 . 1 1 62 62 LYS HA H 1 4.540 0.030 . 1 . . . . 62 LYS HA . 11305 1 667 . 1 1 62 62 LYS HB2 H 1 1.965 0.030 . 2 . . . . 62 LYS HB2 . 11305 1 668 . 1 1 62 62 LYS HB3 H 1 1.773 0.030 . 2 . . . . 62 LYS HB3 . 11305 1 669 . 1 1 62 62 LYS HD2 H 1 1.659 0.030 . 1 . . . . 62 LYS HD2 . 11305 1 670 . 1 1 62 62 LYS HD3 H 1 1.659 0.030 . 1 . . . . 62 LYS HD3 . 11305 1 671 . 1 1 62 62 LYS HG2 H 1 1.360 0.030 . 2 . . . . 62 LYS HG2 . 11305 1 672 . 1 1 62 62 LYS HG3 H 1 1.425 0.030 . 2 . . . . 62 LYS HG3 . 11305 1 673 . 1 1 62 62 LYS C C 13 175.831 0.300 . 1 . . . . 62 LYS C . 11305 1 674 . 1 1 62 62 LYS CA C 13 57.323 0.300 . 1 . . . . 62 LYS CA . 11305 1 675 . 1 1 62 62 LYS CB C 13 34.014 0.300 . 1 . . . . 62 LYS CB . 11305 1 676 . 1 1 62 62 LYS CD C 13 29.054 0.300 . 1 . . . . 62 LYS CD . 11305 1 677 . 1 1 62 62 LYS CE C 13 42.074 0.300 . 1 . . . . 62 LYS CE . 11305 1 678 . 1 1 62 62 LYS CG C 13 24.796 0.300 . 1 . . . . 62 LYS CG . 11305 1 679 . 1 1 62 62 LYS N N 15 123.272 0.300 . 1 . . . . 62 LYS N . 11305 1 680 . 1 1 63 63 GLU H H 1 8.305 0.030 . 1 . . . . 63 GLU H . 11305 1 681 . 1 1 63 63 GLU HA H 1 4.751 0.030 . 1 . . . . 63 GLU HA . 11305 1 682 . 1 1 63 63 GLU HB2 H 1 2.056 0.030 . 2 . . . . 63 GLU HB2 . 11305 1 683 . 1 1 63 63 GLU HB3 H 1 2.155 0.030 . 2 . . . . 63 GLU HB3 . 11305 1 684 . 1 1 63 63 GLU HG2 H 1 2.293 0.030 . 1 . . . . 63 GLU HG2 . 11305 1 685 . 1 1 63 63 GLU HG3 H 1 2.293 0.030 . 1 . . . . 63 GLU HG3 . 11305 1 686 . 1 1 63 63 GLU C C 13 174.870 0.300 . 1 . . . . 63 GLU C . 11305 1 687 . 1 1 63 63 GLU CA C 13 55.914 0.300 . 1 . . . . 63 GLU CA . 11305 1 688 . 1 1 63 63 GLU CB C 13 32.238 0.300 . 1 . . . . 63 GLU CB . 11305 1 689 . 1 1 63 63 GLU CG C 13 36.260 0.300 . 1 . . . . 63 GLU CG . 11305 1 690 . 1 1 63 63 GLU N N 15 119.054 0.300 . 1 . . . . 63 GLU N . 11305 1 691 . 1 1 64 64 CYS H H 1 8.716 0.030 . 1 . . . . 64 CYS H . 11305 1 692 . 1 1 64 64 CYS HA H 1 5.149 0.030 . 1 . . . . 64 CYS HA . 11305 1 693 . 1 1 64 64 CYS HB2 H 1 2.739 0.030 . 2 . . . . 64 CYS HB2 . 11305 1 694 . 1 1 64 64 CYS HB3 H 1 2.468 0.030 . 2 . . . . 64 CYS HB3 . 11305 1 695 . 1 1 64 64 CYS C C 13 173.790 0.300 . 1 . . . . 64 CYS C . 11305 1 696 . 1 1 64 64 CYS CA C 13 57.102 0.300 . 1 . . . . 64 CYS CA . 11305 1 697 . 1 1 64 64 CYS CB C 13 29.820 0.300 . 1 . . . . 64 CYS CB . 11305 1 698 . 1 1 64 64 CYS N N 15 120.036 0.300 . 1 . . . . 64 CYS N . 11305 1 699 . 1 1 65 65 MET H H 1 8.974 0.030 . 1 . . . . 65 MET H . 11305 1 700 . 1 1 65 65 MET HA H 1 5.937 0.030 . 1 . . . . 65 MET HA . 11305 1 701 . 1 1 65 65 MET HB2 H 1 1.914 0.030 . 2 . . . . 65 MET HB2 . 11305 1 702 . 1 1 65 65 MET HB3 H 1 2.030 0.030 . 2 . . . . 65 MET HB3 . 11305 1 703 . 1 1 65 65 MET HE1 H 1 1.978 0.030 . 1 . . . . 65 MET HE . 11305 1 704 . 1 1 65 65 MET HE2 H 1 1.978 0.030 . 1 . . . . 65 MET HE . 11305 1 705 . 1 1 65 65 MET HE3 H 1 1.978 0.030 . 1 . . . . 65 MET HE . 11305 1 706 . 1 1 65 65 MET HG2 H 1 2.465 0.030 . 2 . . . . 65 MET HG2 . 11305 1 707 . 1 1 65 65 MET HG3 H 1 2.573 0.030 . 2 . . . . 65 MET HG3 . 11305 1 708 . 1 1 65 65 MET C C 13 175.250 0.300 . 1 . . . . 65 MET C . 11305 1 709 . 1 1 65 65 MET CA C 13 54.297 0.300 . 1 . . . . 65 MET CA . 11305 1 710 . 1 1 65 65 MET CB C 13 37.463 0.300 . 1 . . . . 65 MET CB . 11305 1 711 . 1 1 65 65 MET CE C 13 17.262 0.300 . 1 . . . . 65 MET CE . 11305 1 712 . 1 1 65 65 MET CG C 13 32.817 0.300 . 1 . . . . 65 MET CG . 11305 1 713 . 1 1 65 65 MET N N 15 122.078 0.300 . 1 . . . . 65 MET N . 11305 1 714 . 1 1 66 66 CYS H H 1 9.814 0.030 . 1 . . . . 66 CYS H . 11305 1 715 . 1 1 66 66 CYS HA H 1 4.913 0.030 . 1 . . . . 66 CYS HA . 11305 1 716 . 1 1 66 66 CYS HB2 H 1 3.666 0.030 . 2 . . . . 66 CYS HB2 . 11305 1 717 . 1 1 66 66 CYS HB3 H 1 2.923 0.030 . 2 . . . . 66 CYS HB3 . 11305 1 718 . 1 1 66 66 CYS C C 13 176.216 0.300 . 1 . . . . 66 CYS C . 11305 1 719 . 1 1 66 66 CYS CA C 13 57.724 0.300 . 1 . . . . 66 CYS CA . 11305 1 720 . 1 1 66 66 CYS CB C 13 31.431 0.300 . 1 . . . . 66 CYS CB . 11305 1 721 . 1 1 66 66 CYS N N 15 125.485 0.300 . 1 . . . . 66 CYS N . 11305 1 722 . 1 1 67 67 GLN H H 1 9.392 0.030 . 1 . . . . 67 GLN H . 11305 1 723 . 1 1 67 67 GLN HA H 1 4.004 0.030 . 1 . . . . 67 GLN HA . 11305 1 724 . 1 1 67 67 GLN HB2 H 1 2.165 0.030 . 2 . . . . 67 GLN HB2 . 11305 1 725 . 1 1 67 67 GLN HB3 H 1 2.217 0.030 . 2 . . . . 67 GLN HB3 . 11305 1 726 . 1 1 67 67 GLN HE21 H 1 6.887 0.030 . 2 . . . . 67 GLN HE21 . 11305 1 727 . 1 1 67 67 GLN HE22 H 1 7.505 0.030 . 2 . . . . 67 GLN HE22 . 11305 1 728 . 1 1 67 67 GLN HG2 H 1 2.469 0.030 . 1 . . . . 67 GLN HG2 . 11305 1 729 . 1 1 67 67 GLN HG3 H 1 2.469 0.030 . 1 . . . . 67 GLN HG3 . 11305 1 730 . 1 1 67 67 GLN C C 13 178.575 0.300 . 1 . . . . 67 GLN C . 11305 1 731 . 1 1 67 67 GLN CA C 13 59.344 0.300 . 1 . . . . 67 GLN CA . 11305 1 732 . 1 1 67 67 GLN CB C 13 28.989 0.300 . 1 . . . . 67 GLN CB . 11305 1 733 . 1 1 67 67 GLN CG C 13 34.453 0.300 . 1 . . . . 67 GLN CG . 11305 1 734 . 1 1 67 67 GLN N N 15 120.705 0.300 . 1 . . . . 67 GLN N . 11305 1 735 . 1 1 67 67 GLN NE2 N 15 112.144 0.300 . 1 . . . . 67 GLN NE2 . 11305 1 736 . 1 1 68 68 LYS H H 1 8.483 0.030 . 1 . . . . 68 LYS H . 11305 1 737 . 1 1 68 68 LYS HA H 1 4.135 0.030 . 1 . . . . 68 LYS HA . 11305 1 738 . 1 1 68 68 LYS HB2 H 1 2.013 0.030 . 1 . . . . 68 LYS HB2 . 11305 1 739 . 1 1 68 68 LYS HB3 H 1 2.013 0.030 . 1 . . . . 68 LYS HB3 . 11305 1 740 . 1 1 68 68 LYS HD2 H 1 1.723 0.030 . 1 . . . . 68 LYS HD2 . 11305 1 741 . 1 1 68 68 LYS HD3 H 1 1.723 0.030 . 1 . . . . 68 LYS HD3 . 11305 1 742 . 1 1 68 68 LYS HE2 H 1 3.027 0.030 . 1 . . . . 68 LYS HE2 . 11305 1 743 . 1 1 68 68 LYS HE3 H 1 3.027 0.030 . 1 . . . . 68 LYS HE3 . 11305 1 744 . 1 1 68 68 LYS HG2 H 1 1.611 0.030 . 2 . . . . 68 LYS HG2 . 11305 1 745 . 1 1 68 68 LYS HG3 H 1 1.456 0.030 . 2 . . . . 68 LYS HG3 . 11305 1 746 . 1 1 68 68 LYS C C 13 179.325 0.300 . 1 . . . . 68 LYS C . 11305 1 747 . 1 1 68 68 LYS CA C 13 59.573 0.300 . 1 . . . . 68 LYS CA . 11305 1 748 . 1 1 68 68 LYS CB C 13 32.668 0.300 . 1 . . . . 68 LYS CB . 11305 1 749 . 1 1 68 68 LYS CD C 13 29.054 0.300 . 1 . . . . 68 LYS CD . 11305 1 750 . 1 1 68 68 LYS CE C 13 42.156 0.300 . 1 . . . . 68 LYS CE . 11305 1 751 . 1 1 68 68 LYS CG C 13 25.348 0.300 . 1 . . . . 68 LYS CG . 11305 1 752 . 1 1 68 68 LYS N N 15 121.258 0.300 . 1 . . . . 68 LYS N . 11305 1 753 . 1 1 69 69 CYS H H 1 8.438 0.030 . 1 . . . . 69 CYS H . 11305 1 754 . 1 1 69 69 CYS HA H 1 4.034 0.030 . 1 . . . . 69 CYS HA . 11305 1 755 . 1 1 69 69 CYS HB2 H 1 2.914 0.030 . 2 . . . . 69 CYS HB2 . 11305 1 756 . 1 1 69 69 CYS HB3 H 1 2.775 0.030 . 2 . . . . 69 CYS HB3 . 11305 1 757 . 1 1 69 69 CYS C C 13 176.189 0.300 . 1 . . . . 69 CYS C . 11305 1 758 . 1 1 69 69 CYS CA C 13 63.036 0.300 . 1 . . . . 69 CYS CA . 11305 1 759 . 1 1 69 69 CYS CB C 13 30.295 0.300 . 1 . . . . 69 CYS CB . 11305 1 760 . 1 1 69 69 CYS N N 15 121.867 0.300 . 1 . . . . 69 CYS N . 11305 1 761 . 1 1 70 70 SER H H 1 7.725 0.030 . 1 . . . . 70 SER H . 11305 1 762 . 1 1 70 70 SER HA H 1 4.344 0.030 . 1 . . . . 70 SER HA . 11305 1 763 . 1 1 70 70 SER HB2 H 1 3.829 0.030 . 2 . . . . 70 SER HB2 . 11305 1 764 . 1 1 70 70 SER HB3 H 1 3.925 0.030 . 2 . . . . 70 SER HB3 . 11305 1 765 . 1 1 70 70 SER C C 13 173.873 0.300 . 1 . . . . 70 SER C . 11305 1 766 . 1 1 70 70 SER CA C 13 59.413 0.300 . 1 . . . . 70 SER CA . 11305 1 767 . 1 1 70 70 SER CB C 13 64.002 0.300 . 1 . . . . 70 SER CB . 11305 1 768 . 1 1 70 70 SER N N 15 113.188 0.300 . 1 . . . . 70 SER N . 11305 1 769 . 1 1 71 71 LEU H H 1 7.580 0.030 . 1 . . . . 71 LEU H . 11305 1 770 . 1 1 71 71 LEU HA H 1 4.562 0.030 . 1 . . . . 71 LEU HA . 11305 1 771 . 1 1 71 71 LEU HB2 H 1 1.564 0.030 . 2 . . . . 71 LEU HB2 . 11305 1 772 . 1 1 71 71 LEU HB3 H 1 1.693 0.030 . 2 . . . . 71 LEU HB3 . 11305 1 773 . 1 1 71 71 LEU HD11 H 1 0.924 0.030 . 1 . . . . 71 LEU HD1 . 11305 1 774 . 1 1 71 71 LEU HD12 H 1 0.924 0.030 . 1 . . . . 71 LEU HD1 . 11305 1 775 . 1 1 71 71 LEU HD13 H 1 0.924 0.030 . 1 . . . . 71 LEU HD1 . 11305 1 776 . 1 1 71 71 LEU HD21 H 1 0.956 0.030 . 1 . . . . 71 LEU HD2 . 11305 1 777 . 1 1 71 71 LEU HD22 H 1 0.956 0.030 . 1 . . . . 71 LEU HD2 . 11305 1 778 . 1 1 71 71 LEU HD23 H 1 0.956 0.030 . 1 . . . . 71 LEU HD2 . 11305 1 779 . 1 1 71 71 LEU HG H 1 1.812 0.030 . 1 . . . . 71 LEU HG . 11305 1 780 . 1 1 71 71 LEU C C 13 175.145 0.300 . 1 . . . . 71 LEU C . 11305 1 781 . 1 1 71 71 LEU CA C 13 53.827 0.300 . 1 . . . . 71 LEU CA . 11305 1 782 . 1 1 71 71 LEU CB C 13 41.803 0.300 . 1 . . . . 71 LEU CB . 11305 1 783 . 1 1 71 71 LEU CD1 C 13 23.599 0.300 . 2 . . . . 71 LEU CD1 . 11305 1 784 . 1 1 71 71 LEU CD2 C 13 25.283 0.300 . 2 . . . . 71 LEU CD2 . 11305 1 785 . 1 1 71 71 LEU CG C 13 26.708 0.300 . 1 . . . . 71 LEU CG . 11305 1 786 . 1 1 71 71 LEU N N 15 124.504 0.300 . 1 . . . . 71 LEU N . 11305 1 787 . 1 1 72 72 PRO HA H 1 4.488 0.030 . 1 . . . . 72 PRO HA . 11305 1 788 . 1 1 72 72 PRO HB2 H 1 2.294 0.030 . 2 . . . . 72 PRO HB2 . 11305 1 789 . 1 1 72 72 PRO HB3 H 1 1.903 0.030 . 2 . . . . 72 PRO HB3 . 11305 1 790 . 1 1 72 72 PRO HD2 H 1 3.629 0.030 . 2 . . . . 72 PRO HD2 . 11305 1 791 . 1 1 72 72 PRO HD3 H 1 3.868 0.030 . 2 . . . . 72 PRO HD3 . 11305 1 792 . 1 1 72 72 PRO HG2 H 1 2.034 0.030 . 1 . . . . 72 PRO HG2 . 11305 1 793 . 1 1 72 72 PRO HG3 H 1 2.034 0.030 . 1 . . . . 72 PRO HG3 . 11305 1 794 . 1 1 72 72 PRO C C 13 177.121 0.300 . 1 . . . . 72 PRO C . 11305 1 795 . 1 1 72 72 PRO CA C 13 63.257 0.300 . 1 . . . . 72 PRO CA . 11305 1 796 . 1 1 72 72 PRO CB C 13 31.995 0.300 . 1 . . . . 72 PRO CB . 11305 1 797 . 1 1 72 72 PRO CD C 13 50.572 0.300 . 1 . . . . 72 PRO CD . 11305 1 798 . 1 1 72 72 PRO CG C 13 27.417 0.300 . 1 . . . . 72 PRO CG . 11305 1 799 . 1 1 73 73 VAL H H 1 8.159 0.030 . 1 . . . . 73 VAL H . 11305 1 800 . 1 1 73 73 VAL HA H 1 4.124 0.030 . 1 . . . . 73 VAL HA . 11305 1 801 . 1 1 73 73 VAL HB H 1 2.083 0.030 . 1 . . . . 73 VAL HB . 11305 1 802 . 1 1 73 73 VAL HG11 H 1 0.977 0.030 . 1 . . . . 73 VAL HG1 . 11305 1 803 . 1 1 73 73 VAL HG12 H 1 0.977 0.030 . 1 . . . . 73 VAL HG1 . 11305 1 804 . 1 1 73 73 VAL HG13 H 1 0.977 0.030 . 1 . . . . 73 VAL HG1 . 11305 1 805 . 1 1 73 73 VAL HG21 H 1 0.955 0.030 . 1 . . . . 73 VAL HG2 . 11305 1 806 . 1 1 73 73 VAL HG22 H 1 0.955 0.030 . 1 . . . . 73 VAL HG2 . 11305 1 807 . 1 1 73 73 VAL HG23 H 1 0.955 0.030 . 1 . . . . 73 VAL HG2 . 11305 1 808 . 1 1 73 73 VAL C C 13 176.341 0.300 . 1 . . . . 73 VAL C . 11305 1 809 . 1 1 73 73 VAL CA C 13 62.416 0.300 . 1 . . . . 73 VAL CA . 11305 1 810 . 1 1 73 73 VAL CB C 13 32.806 0.300 . 1 . . . . 73 VAL CB . 11305 1 811 . 1 1 73 73 VAL CG1 C 13 20.642 0.300 . 2 . . . . 73 VAL CG1 . 11305 1 812 . 1 1 73 73 VAL CG2 C 13 21.207 0.300 . 2 . . . . 73 VAL CG2 . 11305 1 813 . 1 1 73 73 VAL N N 15 119.929 0.300 . 1 . . . . 73 VAL N . 11305 1 814 . 1 1 74 74 SER H H 1 8.358 0.030 . 1 . . . . 74 SER H . 11305 1 815 . 1 1 74 74 SER HA H 1 4.526 0.030 . 1 . . . . 74 SER HA . 11305 1 816 . 1 1 74 74 SER HB2 H 1 3.932 0.030 . 2 . . . . 74 SER HB2 . 11305 1 817 . 1 1 74 74 SER HB3 H 1 3.856 0.030 . 2 . . . . 74 SER HB3 . 11305 1 818 . 1 1 74 74 SER C C 13 174.572 0.300 . 1 . . . . 74 SER C . 11305 1 819 . 1 1 74 74 SER CA C 13 58.124 0.300 . 1 . . . . 74 SER CA . 11305 1 820 . 1 1 74 74 SER CB C 13 63.920 0.300 . 1 . . . . 74 SER CB . 11305 1 821 . 1 1 74 74 SER N N 15 119.378 0.300 . 1 . . . . 74 SER N . 11305 1 822 . 1 1 75 75 VAL H H 1 8.242 0.030 . 1 . . . . 75 VAL H . 11305 1 823 . 1 1 75 75 VAL HA H 1 4.251 0.030 . 1 . . . . 75 VAL HA . 11305 1 824 . 1 1 75 75 VAL HB H 1 2.148 0.030 . 1 . . . . 75 VAL HB . 11305 1 825 . 1 1 75 75 VAL HG11 H 1 0.943 0.030 . 1 . . . . 75 VAL HG1 . 11305 1 826 . 1 1 75 75 VAL HG12 H 1 0.943 0.030 . 1 . . . . 75 VAL HG1 . 11305 1 827 . 1 1 75 75 VAL HG13 H 1 0.943 0.030 . 1 . . . . 75 VAL HG1 . 11305 1 828 . 1 1 75 75 VAL HG21 H 1 0.943 0.030 . 1 . . . . 75 VAL HG2 . 11305 1 829 . 1 1 75 75 VAL HG22 H 1 0.943 0.030 . 1 . . . . 75 VAL HG2 . 11305 1 830 . 1 1 75 75 VAL HG23 H 1 0.943 0.030 . 1 . . . . 75 VAL HG2 . 11305 1 831 . 1 1 75 75 VAL C C 13 176.176 0.300 . 1 . . . . 75 VAL C . 11305 1 832 . 1 1 75 75 VAL CA C 13 62.215 0.300 . 1 . . . . 75 VAL CA . 11305 1 833 . 1 1 75 75 VAL CB C 13 32.892 0.300 . 1 . . . . 75 VAL CB . 11305 1 834 . 1 1 75 75 VAL CG1 C 13 20.223 0.300 . 1 . . . . 75 VAL CG1 . 11305 1 835 . 1 1 75 75 VAL CG2 C 13 20.223 0.300 . 1 . . . . 75 VAL CG2 . 11305 1 836 . 1 1 75 75 VAL N N 15 121.867 0.300 . 1 . . . . 75 VAL N . 11305 1 stop_ save_