data_11313 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11313 _Entry.Title ; Solution structure of the RING domain of the Zinc finger protein 183-like 1 ; _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 . . . 11313 2 M. Sato . . . 11313 3 T. Tomizawa . . . 11313 4 K. Saito . . . 11313 5 S. Koshiba . . . 11313 6 M. Inoue . . . 11313 7 T. Kigawa . . . 11313 8 S. Yokoyama . . . 11313 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)' . 11313 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11313 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 11313 '15N chemical shifts' 72 11313 '1H chemical shifts' 499 11313 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 . 11313 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CSY 'BMRB Entry Tracking System' 11313 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11313 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the RING domain of the Zinc finger protein 183-like 1' _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 . . . 11313 1 2 M. Sato . . . 11313 1 3 T. Tomizawa . . . 11313 1 4 K. Saito . . . 11313 1 5 S. Koshiba . . . 11313 1 6 M. Inoue . . . 11313 1 7 T. Kigawa . . . 11313 1 8 S. Yokoyama . . . 11313 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11313 _Assembly.ID 1 _Assembly.Name 'Zinc finger protein 183-like 1' _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 'RING domain' 1 $entity_1 A . yes native no no . . . 11313 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11313 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11313 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'RING domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11313 1 2 coordination single . 1 'RING domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11313 1 3 coordination single . 1 'RING domain' 1 CYS 38 38 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11313 1 4 coordination single . 1 'RING domain' 1 CYS 41 41 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11313 1 5 coordination single . 1 'RING domain' 1 CYS 33 33 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11313 1 6 coordination single . 1 'RING domain' 1 HIS 35 35 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 35 HIS ND1 . . . . ZN 11313 1 7 coordination single . 1 'RING domain' 1 CYS 52 52 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 52 CYS SG . . . . ZN 11313 1 8 coordination single . 1 'RING domain' 1 CYS 55 55 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 55 CYS SG . . . . ZN 11313 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 52 52 HG . 52 CYS HG 11313 1 . . 1 1 CYS 55 55 HG . 55 CYS HG 11313 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11313 1 . . 1 1 HIS 35 35 HD1 . 35 HIS HD1 11313 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11313 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11313 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11313 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11313 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 2csy . . . . . . 11313 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11313 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGGSEEEEIPFRCFI CRQAFQNPVVTKCRHYFCES CALEHFRATPRCYICDQPTG GIFNPAKELMAKLQKSGPSS 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 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CSY . "Solution Structure Of The Ring Domain Of The Zinc Finger Protein 183-Like 1" . . . . . 100.00 81 100.00 100.00 3.47e-51 . . . . 11313 1 2 no GB EHH58672 . "Zinc finger protein 183-like 1 [Macaca fascicularis]" . . . . . 76.54 291 98.39 98.39 7.17e-36 . . . . 11313 1 3 no REF XP_001089736 . "PREDICTED: RING finger protein 113B-like [Macaca mulatta]" . . . . . 76.54 338 98.39 98.39 1.72e-35 . . . . 11313 1 4 no REF XP_005586186 . "PREDICTED: RING finger protein 113B [Macaca fascicularis]" . . . . . 76.54 338 98.39 98.39 1.72e-35 . . . . 11313 1 5 no REF XP_011732534 . "PREDICTED: RING finger protein 113B isoform X1 [Macaca nemestrina]" . . . . . 76.54 362 98.39 98.39 1.36e-35 . . . . 11313 1 6 no REF XP_011732543 . "PREDICTED: RING finger protein 113B isoform X2 [Macaca nemestrina]" . . . . . 76.54 335 98.39 98.39 7.93e-36 . . . . 11313 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11313 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 . 11313 1 2 . SER . 11313 1 3 . SER . 11313 1 4 . GLY . 11313 1 5 . SER . 11313 1 6 . SER . 11313 1 7 . GLY . 11313 1 8 . GLY . 11313 1 9 . SER . 11313 1 10 . GLU . 11313 1 11 . GLU . 11313 1 12 . GLU . 11313 1 13 . GLU . 11313 1 14 . ILE . 11313 1 15 . PRO . 11313 1 16 . PHE . 11313 1 17 . ARG . 11313 1 18 . CYS . 11313 1 19 . PHE . 11313 1 20 . ILE . 11313 1 21 . CYS . 11313 1 22 . ARG . 11313 1 23 . GLN . 11313 1 24 . ALA . 11313 1 25 . PHE . 11313 1 26 . GLN . 11313 1 27 . ASN . 11313 1 28 . PRO . 11313 1 29 . VAL . 11313 1 30 . VAL . 11313 1 31 . THR . 11313 1 32 . LYS . 11313 1 33 . CYS . 11313 1 34 . ARG . 11313 1 35 . HIS . 11313 1 36 . TYR . 11313 1 37 . PHE . 11313 1 38 . CYS . 11313 1 39 . GLU . 11313 1 40 . SER . 11313 1 41 . CYS . 11313 1 42 . ALA . 11313 1 43 . LEU . 11313 1 44 . GLU . 11313 1 45 . HIS . 11313 1 46 . PHE . 11313 1 47 . ARG . 11313 1 48 . ALA . 11313 1 49 . THR . 11313 1 50 . PRO . 11313 1 51 . ARG . 11313 1 52 . CYS . 11313 1 53 . TYR . 11313 1 54 . ILE . 11313 1 55 . CYS . 11313 1 56 . ASP . 11313 1 57 . GLN . 11313 1 58 . PRO . 11313 1 59 . THR . 11313 1 60 . GLY . 11313 1 61 . GLY . 11313 1 62 . ILE . 11313 1 63 . PHE . 11313 1 64 . ASN . 11313 1 65 . PRO . 11313 1 66 . ALA . 11313 1 67 . LYS . 11313 1 68 . GLU . 11313 1 69 . LEU . 11313 1 70 . MET . 11313 1 71 . ALA . 11313 1 72 . LYS . 11313 1 73 . LEU . 11313 1 74 . GLN . 11313 1 75 . LYS . 11313 1 76 . SER . 11313 1 77 . GLY . 11313 1 78 . PRO . 11313 1 79 . SER . 11313 1 80 . SER . 11313 1 81 . GLY . 11313 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 11313 1 . SER 2 2 11313 1 . SER 3 3 11313 1 . GLY 4 4 11313 1 . SER 5 5 11313 1 . SER 6 6 11313 1 . GLY 7 7 11313 1 . GLY 8 8 11313 1 . SER 9 9 11313 1 . GLU 10 10 11313 1 . GLU 11 11 11313 1 . GLU 12 12 11313 1 . GLU 13 13 11313 1 . ILE 14 14 11313 1 . PRO 15 15 11313 1 . PHE 16 16 11313 1 . ARG 17 17 11313 1 . CYS 18 18 11313 1 . PHE 19 19 11313 1 . ILE 20 20 11313 1 . CYS 21 21 11313 1 . ARG 22 22 11313 1 . GLN 23 23 11313 1 . ALA 24 24 11313 1 . PHE 25 25 11313 1 . GLN 26 26 11313 1 . ASN 27 27 11313 1 . PRO 28 28 11313 1 . VAL 29 29 11313 1 . VAL 30 30 11313 1 . THR 31 31 11313 1 . LYS 32 32 11313 1 . CYS 33 33 11313 1 . ARG 34 34 11313 1 . HIS 35 35 11313 1 . TYR 36 36 11313 1 . PHE 37 37 11313 1 . CYS 38 38 11313 1 . GLU 39 39 11313 1 . SER 40 40 11313 1 . CYS 41 41 11313 1 . ALA 42 42 11313 1 . LEU 43 43 11313 1 . GLU 44 44 11313 1 . HIS 45 45 11313 1 . PHE 46 46 11313 1 . ARG 47 47 11313 1 . ALA 48 48 11313 1 . THR 49 49 11313 1 . PRO 50 50 11313 1 . ARG 51 51 11313 1 . CYS 52 52 11313 1 . TYR 53 53 11313 1 . ILE 54 54 11313 1 . CYS 55 55 11313 1 . ASP 56 56 11313 1 . GLN 57 57 11313 1 . PRO 58 58 11313 1 . THR 59 59 11313 1 . GLY 60 60 11313 1 . GLY 61 61 11313 1 . ILE 62 62 11313 1 . PHE 63 63 11313 1 . ASN 64 64 11313 1 . PRO 65 65 11313 1 . ALA 66 66 11313 1 . LYS 67 67 11313 1 . GLU 68 68 11313 1 . LEU 69 69 11313 1 . MET 70 70 11313 1 . ALA 71 71 11313 1 . LYS 72 72 11313 1 . LEU 73 73 11313 1 . GLN 74 74 11313 1 . LYS 75 75 11313 1 . SER 76 76 11313 1 . GLY 77 77 11313 1 . PRO 78 78 11313 1 . SER 79 79 11313 1 . SER 80 80 11313 1 . GLY 81 81 11313 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11313 _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 . 11313 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 11313 _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 . . . . . . . . . . . . . . . . . . . . . 11313 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 11313 _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 . . P041206-06 . . . . . . 11313 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 11313 _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 11313 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11313 ZN [Zn++] SMILES CACTVS 3.341 11313 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11313 ZN [Zn+2] SMILES ACDLabs 10.04 11313 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11313 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11313 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 11313 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11313 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 . 11313 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11313 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.47mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 0.05mM {EDTA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.47 . . mM . . . . 11313 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11313 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11313 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11313 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11313 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11313 1 7 EDTA 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11313 1 8 H2O . . . . . . solvent 90 . . % . . . . 11313 1 9 D2O . . . . . . solvent 10 . . % . . . . 11313 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 11313 _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 11313 1 pH 7.0 0.05 pH 11313 1 pressure 1 0.001 atm 11313 1 temperature 298 0.1 K 11313 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11313 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11313 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11313 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11313 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11313 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11313 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11313 _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.' . . 11313 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11313 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11313 _Software.ID 4 _Software.Name Kujira _Software.Version 0.925 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11313 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11313 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11313 _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.' . . 11313 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11313 5 'structure solution' 11313 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 11313 _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 11313 _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 . . . 11313 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 11313 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11313 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11313 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 11313 _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 . . . . . . . . . 11313 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11313 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11313 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 11313 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11313 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11313 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 . . 11313 1 2 $NMRPipe . . 11313 1 3 $NMRView . . 11313 1 4 $Kujira . . 11313 1 5 $CYANA . . 11313 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.511 0.030 . 1 . . . . 6 SER HA . 11313 1 2 . 1 1 6 6 SER HB2 H 1 3.910 0.030 . 1 . . . . 6 SER HB2 . 11313 1 3 . 1 1 6 6 SER HB3 H 1 3.910 0.030 . 1 . . . . 6 SER HB3 . 11313 1 4 . 1 1 6 6 SER C C 13 175.117 0.300 . 1 . . . . 6 SER C . 11313 1 5 . 1 1 6 6 SER CA C 13 58.473 0.300 . 1 . . . . 6 SER CA . 11313 1 6 . 1 1 6 6 SER CB C 13 63.722 0.300 . 1 . . . . 6 SER CB . 11313 1 7 . 1 1 7 7 GLY H H 1 8.458 0.030 . 1 . . . . 7 GLY H . 11313 1 8 . 1 1 7 7 GLY HA2 H 1 4.001 0.030 . 1 . . . . 7 GLY HA2 . 11313 1 9 . 1 1 7 7 GLY HA3 H 1 4.001 0.030 . 1 . . . . 7 GLY HA3 . 11313 1 10 . 1 1 7 7 GLY C C 13 174.663 0.300 . 1 . . . . 7 GLY C . 11313 1 11 . 1 1 7 7 GLY CA C 13 45.431 0.300 . 1 . . . . 7 GLY CA . 11313 1 12 . 1 1 7 7 GLY N N 15 110.894 0.300 . 1 . . . . 7 GLY N . 11313 1 13 . 1 1 8 8 GLY H H 1 8.310 0.030 . 1 . . . . 8 GLY H . 11313 1 14 . 1 1 8 8 GLY HA2 H 1 4.023 0.030 . 1 . . . . 8 GLY HA2 . 11313 1 15 . 1 1 8 8 GLY HA3 H 1 4.023 0.030 . 1 . . . . 8 GLY HA3 . 11313 1 16 . 1 1 8 8 GLY C C 13 174.342 0.300 . 1 . . . . 8 GLY C . 11313 1 17 . 1 1 8 8 GLY CA C 13 45.212 0.300 . 1 . . . . 8 GLY CA . 11313 1 18 . 1 1 8 8 GLY N N 15 109.059 0.300 . 1 . . . . 8 GLY N . 11313 1 19 . 1 1 9 9 SER H H 1 8.301 0.030 . 1 . . . . 9 SER H . 11313 1 20 . 1 1 9 9 SER HA H 1 4.479 0.030 . 1 . . . . 9 SER HA . 11313 1 21 . 1 1 9 9 SER HB2 H 1 3.878 0.030 . 1 . . . . 9 SER HB2 . 11313 1 22 . 1 1 9 9 SER HB3 H 1 3.878 0.030 . 1 . . . . 9 SER HB3 . 11313 1 23 . 1 1 9 9 SER C C 13 174.823 0.300 . 1 . . . . 9 SER C . 11313 1 24 . 1 1 9 9 SER CA C 13 58.331 0.300 . 1 . . . . 9 SER CA . 11313 1 25 . 1 1 9 9 SER CB C 13 63.834 0.300 . 1 . . . . 9 SER CB . 11313 1 26 . 1 1 9 9 SER N N 15 115.793 0.300 . 1 . . . . 9 SER N . 11313 1 27 . 1 1 10 10 GLU H H 1 8.646 0.030 . 1 . . . . 10 GLU H . 11313 1 28 . 1 1 10 10 GLU HA H 1 4.272 0.030 . 1 . . . . 10 GLU HA . 11313 1 29 . 1 1 10 10 GLU HB2 H 1 2.059 0.030 . 2 . . . . 10 GLU HB2 . 11313 1 30 . 1 1 10 10 GLU HB3 H 1 1.914 0.030 . 2 . . . . 10 GLU HB3 . 11313 1 31 . 1 1 10 10 GLU HG2 H 1 2.251 0.030 . 1 . . . . 10 GLU HG2 . 11313 1 32 . 1 1 10 10 GLU HG3 H 1 2.251 0.030 . 1 . . . . 10 GLU HG3 . 11313 1 33 . 1 1 10 10 GLU C C 13 176.645 0.300 . 1 . . . . 10 GLU C . 11313 1 34 . 1 1 10 10 GLU CA C 13 56.991 0.300 . 1 . . . . 10 GLU CA . 11313 1 35 . 1 1 10 10 GLU CB C 13 29.967 0.300 . 1 . . . . 10 GLU CB . 11313 1 36 . 1 1 10 10 GLU CG C 13 36.329 0.300 . 1 . . . . 10 GLU CG . 11313 1 37 . 1 1 10 10 GLU N N 15 122.752 0.300 . 1 . . . . 10 GLU N . 11313 1 38 . 1 1 11 11 GLU H H 1 8.351 0.030 . 1 . . . . 11 GLU H . 11313 1 39 . 1 1 11 11 GLU HA H 1 4.252 0.030 . 1 . . . . 11 GLU HA . 11313 1 40 . 1 1 11 11 GLU HB2 H 1 2.017 0.030 . 2 . . . . 11 GLU HB2 . 11313 1 41 . 1 1 11 11 GLU HB3 H 1 1.886 0.030 . 2 . . . . 11 GLU HB3 . 11313 1 42 . 1 1 11 11 GLU HG2 H 1 2.228 0.030 . 1 . . . . 11 GLU HG2 . 11313 1 43 . 1 1 11 11 GLU HG3 H 1 2.228 0.030 . 1 . . . . 11 GLU HG3 . 11313 1 44 . 1 1 11 11 GLU C C 13 176.397 0.300 . 1 . . . . 11 GLU C . 11313 1 45 . 1 1 11 11 GLU CA C 13 56.541 0.300 . 1 . . . . 11 GLU CA . 11313 1 46 . 1 1 11 11 GLU CB C 13 30.376 0.300 . 1 . . . . 11 GLU CB . 11313 1 47 . 1 1 11 11 GLU CG C 13 36.326 0.300 . 1 . . . . 11 GLU CG . 11313 1 48 . 1 1 11 11 GLU N N 15 121.208 0.300 . 1 . . . . 11 GLU N . 11313 1 49 . 1 1 12 12 GLU H H 1 8.309 0.030 . 1 . . . . 12 GLU H . 11313 1 50 . 1 1 12 12 GLU HA H 1 4.252 0.030 . 1 . . . . 12 GLU HA . 11313 1 51 . 1 1 12 12 GLU HB2 H 1 2.016 0.030 . 2 . . . . 12 GLU HB2 . 11313 1 52 . 1 1 12 12 GLU HB3 H 1 1.918 0.030 . 2 . . . . 12 GLU HB3 . 11313 1 53 . 1 1 12 12 GLU HG2 H 1 2.248 0.030 . 1 . . . . 12 GLU HG2 . 11313 1 54 . 1 1 12 12 GLU HG3 H 1 2.248 0.030 . 1 . . . . 12 GLU HG3 . 11313 1 55 . 1 1 12 12 GLU C C 13 176.204 0.300 . 1 . . . . 12 GLU C . 11313 1 56 . 1 1 12 12 GLU CA C 13 56.399 0.300 . 1 . . . . 12 GLU CA . 11313 1 57 . 1 1 12 12 GLU CB C 13 30.596 0.300 . 1 . . . . 12 GLU CB . 11313 1 58 . 1 1 12 12 GLU CG C 13 36.329 0.300 . 1 . . . . 12 GLU CG . 11313 1 59 . 1 1 12 12 GLU N N 15 122.062 0.300 . 1 . . . . 12 GLU N . 11313 1 60 . 1 1 13 13 GLU H H 1 8.440 0.030 . 1 . . . . 13 GLU H . 11313 1 61 . 1 1 13 13 GLU HA H 1 4.250 0.030 . 1 . . . . 13 GLU HA . 11313 1 62 . 1 1 13 13 GLU HB2 H 1 1.972 0.030 . 2 . . . . 13 GLU HB2 . 11313 1 63 . 1 1 13 13 GLU HB3 H 1 1.935 0.030 . 2 . . . . 13 GLU HB3 . 11313 1 64 . 1 1 13 13 GLU HG2 H 1 2.181 0.030 . 2 . . . . 13 GLU HG2 . 11313 1 65 . 1 1 13 13 GLU HG3 H 1 2.260 0.030 . 2 . . . . 13 GLU HG3 . 11313 1 66 . 1 1 13 13 GLU C C 13 176.124 0.300 . 1 . . . . 13 GLU C . 11313 1 67 . 1 1 13 13 GLU CA C 13 56.408 0.300 . 1 . . . . 13 GLU CA . 11313 1 68 . 1 1 13 13 GLU CB C 13 30.399 0.300 . 1 . . . . 13 GLU CB . 11313 1 69 . 1 1 13 13 GLU CG C 13 36.324 0.300 . 1 . . . . 13 GLU CG . 11313 1 70 . 1 1 13 13 GLU N N 15 123.226 0.300 . 1 . . . . 13 GLU N . 11313 1 71 . 1 1 14 14 ILE H H 1 8.214 0.030 . 1 . . . . 14 ILE H . 11313 1 72 . 1 1 14 14 ILE HA H 1 4.297 0.030 . 1 . . . . 14 ILE HA . 11313 1 73 . 1 1 14 14 ILE HB H 1 1.655 0.030 . 1 . . . . 14 ILE HB . 11313 1 74 . 1 1 14 14 ILE HD11 H 1 0.679 0.030 . 1 . . . . 14 ILE HD1 . 11313 1 75 . 1 1 14 14 ILE HD12 H 1 0.679 0.030 . 1 . . . . 14 ILE HD1 . 11313 1 76 . 1 1 14 14 ILE HD13 H 1 0.679 0.030 . 1 . . . . 14 ILE HD1 . 11313 1 77 . 1 1 14 14 ILE HG12 H 1 1.014 0.030 . 2 . . . . 14 ILE HG12 . 11313 1 78 . 1 1 14 14 ILE HG13 H 1 1.381 0.030 . 2 . . . . 14 ILE HG13 . 11313 1 79 . 1 1 14 14 ILE HG21 H 1 0.628 0.030 . 1 . . . . 14 ILE HG2 . 11313 1 80 . 1 1 14 14 ILE HG22 H 1 0.628 0.030 . 1 . . . . 14 ILE HG2 . 11313 1 81 . 1 1 14 14 ILE HG23 H 1 0.628 0.030 . 1 . . . . 14 ILE HG2 . 11313 1 82 . 1 1 14 14 ILE C C 13 174.012 0.300 . 1 . . . . 14 ILE C . 11313 1 83 . 1 1 14 14 ILE CA C 13 58.320 0.300 . 1 . . . . 14 ILE CA . 11313 1 84 . 1 1 14 14 ILE CB C 13 38.485 0.300 . 1 . . . . 14 ILE CB . 11313 1 85 . 1 1 14 14 ILE CD1 C 13 12.956 0.300 . 1 . . . . 14 ILE CD1 . 11313 1 86 . 1 1 14 14 ILE CG1 C 13 26.843 0.300 . 1 . . . . 14 ILE CG1 . 11313 1 87 . 1 1 14 14 ILE CG2 C 13 17.324 0.300 . 1 . . . . 14 ILE CG2 . 11313 1 88 . 1 1 14 14 ILE N N 15 124.334 0.300 . 1 . . . . 14 ILE N . 11313 1 89 . 1 1 15 15 PRO HA H 1 4.489 0.030 . 1 . . . . 15 PRO HA . 11313 1 90 . 1 1 15 15 PRO HB2 H 1 2.338 0.030 . 2 . . . . 15 PRO HB2 . 11313 1 91 . 1 1 15 15 PRO HB3 H 1 1.972 0.030 . 2 . . . . 15 PRO HB3 . 11313 1 92 . 1 1 15 15 PRO HD2 H 1 3.769 0.030 . 2 . . . . 15 PRO HD2 . 11313 1 93 . 1 1 15 15 PRO HD3 H 1 3.336 0.030 . 2 . . . . 15 PRO HD3 . 11313 1 94 . 1 1 15 15 PRO HG2 H 1 2.112 0.030 . 2 . . . . 15 PRO HG2 . 11313 1 95 . 1 1 15 15 PRO HG3 H 1 1.921 0.030 . 2 . . . . 15 PRO HG3 . 11313 1 96 . 1 1 15 15 PRO C C 13 175.242 0.300 . 1 . . . . 15 PRO C . 11313 1 97 . 1 1 15 15 PRO CA C 13 62.772 0.300 . 1 . . . . 15 PRO CA . 11313 1 98 . 1 1 15 15 PRO CB C 13 32.412 0.300 . 1 . . . . 15 PRO CB . 11313 1 99 . 1 1 15 15 PRO CD C 13 50.723 0.300 . 1 . . . . 15 PRO CD . 11313 1 100 . 1 1 15 15 PRO CG C 13 27.366 0.300 . 1 . . . . 15 PRO CG . 11313 1 101 . 1 1 16 16 PHE H H 1 8.208 0.030 . 1 . . . . 16 PHE H . 11313 1 102 . 1 1 16 16 PHE HA H 1 4.821 0.030 . 1 . . . . 16 PHE HA . 11313 1 103 . 1 1 16 16 PHE HB2 H 1 3.102 0.030 . 2 . . . . 16 PHE HB2 . 11313 1 104 . 1 1 16 16 PHE HB3 H 1 3.043 0.030 . 2 . . . . 16 PHE HB3 . 11313 1 105 . 1 1 16 16 PHE HD1 H 1 7.245 0.030 . 1 . . . . 16 PHE HD1 . 11313 1 106 . 1 1 16 16 PHE HD2 H 1 7.245 0.030 . 1 . . . . 16 PHE HD2 . 11313 1 107 . 1 1 16 16 PHE HE1 H 1 7.290 0.030 . 1 . . . . 16 PHE HE1 . 11313 1 108 . 1 1 16 16 PHE HE2 H 1 7.290 0.030 . 1 . . . . 16 PHE HE2 . 11313 1 109 . 1 1 16 16 PHE HZ H 1 7.229 0.030 . 1 . . . . 16 PHE HZ . 11313 1 110 . 1 1 16 16 PHE C C 13 175.084 0.300 . 1 . . . . 16 PHE C . 11313 1 111 . 1 1 16 16 PHE CA C 13 57.035 0.300 . 1 . . . . 16 PHE CA . 11313 1 112 . 1 1 16 16 PHE CB C 13 40.195 0.300 . 1 . . . . 16 PHE CB . 11313 1 113 . 1 1 16 16 PHE CD1 C 13 131.887 0.300 . 1 . . . . 16 PHE CD1 . 11313 1 114 . 1 1 16 16 PHE CD2 C 13 131.887 0.300 . 1 . . . . 16 PHE CD2 . 11313 1 115 . 1 1 16 16 PHE CE1 C 13 131.655 0.300 . 1 . . . . 16 PHE CE1 . 11313 1 116 . 1 1 16 16 PHE CE2 C 13 131.655 0.300 . 1 . . . . 16 PHE CE2 . 11313 1 117 . 1 1 16 16 PHE CZ C 13 129.790 0.300 . 1 . . . . 16 PHE CZ . 11313 1 118 . 1 1 16 16 PHE N N 15 115.396 0.300 . 1 . . . . 16 PHE N . 11313 1 119 . 1 1 17 17 ARG H H 1 7.309 0.030 . 1 . . . . 17 ARG H . 11313 1 120 . 1 1 17 17 ARG HA H 1 3.768 0.030 . 1 . . . . 17 ARG HA . 11313 1 121 . 1 1 17 17 ARG HB2 H 1 1.103 0.030 . 2 . . . . 17 ARG HB2 . 11313 1 122 . 1 1 17 17 ARG HB3 H 1 1.037 0.030 . 2 . . . . 17 ARG HB3 . 11313 1 123 . 1 1 17 17 ARG HD2 H 1 2.726 0.030 . 2 . . . . 17 ARG HD2 . 11313 1 124 . 1 1 17 17 ARG HD3 H 1 2.765 0.030 . 2 . . . . 17 ARG HD3 . 11313 1 125 . 1 1 17 17 ARG HG2 H 1 0.942 0.030 . 2 . . . . 17 ARG HG2 . 11313 1 126 . 1 1 17 17 ARG HG3 H 1 1.031 0.030 . 2 . . . . 17 ARG HG3 . 11313 1 127 . 1 1 17 17 ARG C C 13 173.149 0.300 . 1 . . . . 17 ARG C . 11313 1 128 . 1 1 17 17 ARG CA C 13 53.177 0.300 . 1 . . . . 17 ARG CA . 11313 1 129 . 1 1 17 17 ARG CB C 13 33.113 0.300 . 1 . . . . 17 ARG CB . 11313 1 130 . 1 1 17 17 ARG CD C 13 43.256 0.300 . 1 . . . . 17 ARG CD . 11313 1 131 . 1 1 17 17 ARG CG C 13 26.521 0.300 . 1 . . . . 17 ARG CG . 11313 1 132 . 1 1 17 17 ARG N N 15 118.348 0.300 . 1 . . . . 17 ARG N . 11313 1 133 . 1 1 18 18 CYS H H 1 7.536 0.030 . 1 . . . . 18 CYS H . 11313 1 134 . 1 1 18 18 CYS HA H 1 4.025 0.030 . 1 . . . . 18 CYS HA . 11313 1 135 . 1 1 18 18 CYS HB2 H 1 2.843 0.030 . 2 . . . . 18 CYS HB2 . 11313 1 136 . 1 1 18 18 CYS HB3 H 1 3.284 0.030 . 2 . . . . 18 CYS HB3 . 11313 1 137 . 1 1 18 18 CYS C C 13 178.200 0.300 . 1 . . . . 18 CYS C . 11313 1 138 . 1 1 18 18 CYS CA C 13 59.095 0.300 . 1 . . . . 18 CYS CA . 11313 1 139 . 1 1 18 18 CYS CB C 13 32.561 0.300 . 1 . . . . 18 CYS CB . 11313 1 140 . 1 1 18 18 CYS N N 15 124.939 0.300 . 1 . . . . 18 CYS N . 11313 1 141 . 1 1 19 19 PHE H H 1 9.273 0.030 . 1 . . . . 19 PHE H . 11313 1 142 . 1 1 19 19 PHE HA H 1 4.237 0.030 . 1 . . . . 19 PHE HA . 11313 1 143 . 1 1 19 19 PHE HB2 H 1 3.157 0.030 . 2 . . . . 19 PHE HB2 . 11313 1 144 . 1 1 19 19 PHE HB3 H 1 3.397 0.030 . 2 . . . . 19 PHE HB3 . 11313 1 145 . 1 1 19 19 PHE HD1 H 1 7.372 0.030 . 1 . . . . 19 PHE HD1 . 11313 1 146 . 1 1 19 19 PHE HD2 H 1 7.372 0.030 . 1 . . . . 19 PHE HD2 . 11313 1 147 . 1 1 19 19 PHE HE1 H 1 7.453 0.030 . 1 . . . . 19 PHE HE1 . 11313 1 148 . 1 1 19 19 PHE HE2 H 1 7.453 0.030 . 1 . . . . 19 PHE HE2 . 11313 1 149 . 1 1 19 19 PHE HZ H 1 7.398 0.030 . 1 . . . . 19 PHE HZ . 11313 1 150 . 1 1 19 19 PHE C C 13 176.011 0.300 . 1 . . . . 19 PHE C . 11313 1 151 . 1 1 19 19 PHE CA C 13 60.177 0.300 . 1 . . . . 19 PHE CA . 11313 1 152 . 1 1 19 19 PHE CB C 13 40.078 0.300 . 1 . . . . 19 PHE CB . 11313 1 153 . 1 1 19 19 PHE CD1 C 13 131.468 0.300 . 1 . . . . 19 PHE CD1 . 11313 1 154 . 1 1 19 19 PHE CD2 C 13 131.468 0.300 . 1 . . . . 19 PHE CD2 . 11313 1 155 . 1 1 19 19 PHE CE1 C 13 131.481 0.300 . 1 . . . . 19 PHE CE1 . 11313 1 156 . 1 1 19 19 PHE CE2 C 13 131.481 0.300 . 1 . . . . 19 PHE CE2 . 11313 1 157 . 1 1 19 19 PHE CZ C 13 130.186 0.300 . 1 . . . . 19 PHE CZ . 11313 1 158 . 1 1 19 19 PHE N N 15 130.174 0.300 . 1 . . . . 19 PHE N . 11313 1 159 . 1 1 20 20 ILE H H 1 8.825 0.030 . 1 . . . . 20 ILE H . 11313 1 160 . 1 1 20 20 ILE HA H 1 3.276 0.030 . 1 . . . . 20 ILE HA . 11313 1 161 . 1 1 20 20 ILE HB H 1 1.661 0.030 . 1 . . . . 20 ILE HB . 11313 1 162 . 1 1 20 20 ILE HD11 H 1 -0.026 0.030 . 1 . . . . 20 ILE HD1 . 11313 1 163 . 1 1 20 20 ILE HD12 H 1 -0.026 0.030 . 1 . . . . 20 ILE HD1 . 11313 1 164 . 1 1 20 20 ILE HD13 H 1 -0.026 0.030 . 1 . . . . 20 ILE HD1 . 11313 1 165 . 1 1 20 20 ILE HG12 H 1 1.180 0.030 . 2 . . . . 20 ILE HG12 . 11313 1 166 . 1 1 20 20 ILE HG13 H 1 -0.970 0.030 . 2 . . . . 20 ILE HG13 . 11313 1 167 . 1 1 20 20 ILE HG21 H 1 0.598 0.030 . 1 . . . . 20 ILE HG2 . 11313 1 168 . 1 1 20 20 ILE HG22 H 1 0.598 0.030 . 1 . . . . 20 ILE HG2 . 11313 1 169 . 1 1 20 20 ILE HG23 H 1 0.598 0.030 . 1 . . . . 20 ILE HG2 . 11313 1 170 . 1 1 20 20 ILE C C 13 176.789 0.300 . 1 . . . . 20 ILE C . 11313 1 171 . 1 1 20 20 ILE CA C 13 65.580 0.300 . 1 . . . . 20 ILE CA . 11313 1 172 . 1 1 20 20 ILE CB C 13 37.885 0.300 . 1 . . . . 20 ILE CB . 11313 1 173 . 1 1 20 20 ILE CD1 C 13 13.203 0.300 . 1 . . . . 20 ILE CD1 . 11313 1 174 . 1 1 20 20 ILE CG1 C 13 27.955 0.300 . 1 . . . . 20 ILE CG1 . 11313 1 175 . 1 1 20 20 ILE CG2 C 13 16.149 0.300 . 1 . . . . 20 ILE CG2 . 11313 1 176 . 1 1 20 20 ILE N N 15 118.503 0.300 . 1 . . . . 20 ILE N . 11313 1 177 . 1 1 21 21 CYS H H 1 7.978 0.030 . 1 . . . . 21 CYS H . 11313 1 178 . 1 1 21 21 CYS HA H 1 4.639 0.030 . 1 . . . . 21 CYS HA . 11313 1 179 . 1 1 21 21 CYS HB2 H 1 3.282 0.030 . 2 . . . . 21 CYS HB2 . 11313 1 180 . 1 1 21 21 CYS HB3 H 1 3.059 0.030 . 2 . . . . 21 CYS HB3 . 11313 1 181 . 1 1 21 21 CYS C C 13 176.576 0.300 . 1 . . . . 21 CYS C . 11313 1 182 . 1 1 21 21 CYS CA C 13 58.890 0.300 . 1 . . . . 21 CYS CA . 11313 1 183 . 1 1 21 21 CYS CB C 13 31.601 0.300 . 1 . . . . 21 CYS CB . 11313 1 184 . 1 1 21 21 CYS N N 15 117.565 0.300 . 1 . . . . 21 CYS N . 11313 1 185 . 1 1 22 22 ARG H H 1 8.053 0.030 . 1 . . . . 22 ARG H . 11313 1 186 . 1 1 22 22 ARG HA H 1 3.848 0.030 . 1 . . . . 22 ARG HA . 11313 1 187 . 1 1 22 22 ARG HB2 H 1 2.072 0.030 . 2 . . . . 22 ARG HB2 . 11313 1 188 . 1 1 22 22 ARG HB3 H 1 1.880 0.030 . 2 . . . . 22 ARG HB3 . 11313 1 189 . 1 1 22 22 ARG HD2 H 1 2.996 0.030 . 2 . . . . 22 ARG HD2 . 11313 1 190 . 1 1 22 22 ARG HD3 H 1 3.045 0.030 . 2 . . . . 22 ARG HD3 . 11313 1 191 . 1 1 22 22 ARG HG2 H 1 1.414 0.030 . 2 . . . . 22 ARG HG2 . 11313 1 192 . 1 1 22 22 ARG HG3 H 1 1.298 0.030 . 2 . . . . 22 ARG HG3 . 11313 1 193 . 1 1 22 22 ARG C C 13 174.910 0.300 . 1 . . . . 22 ARG C . 11313 1 194 . 1 1 22 22 ARG CA C 13 57.582 0.300 . 1 . . . . 22 ARG CA . 11313 1 195 . 1 1 22 22 ARG CB C 13 26.137 0.300 . 1 . . . . 22 ARG CB . 11313 1 196 . 1 1 22 22 ARG CD C 13 42.960 0.300 . 1 . . . . 22 ARG CD . 11313 1 197 . 1 1 22 22 ARG CG C 13 27.482 0.300 . 1 . . . . 22 ARG CG . 11313 1 198 . 1 1 22 22 ARG N N 15 117.765 0.300 . 1 . . . . 22 ARG N . 11313 1 199 . 1 1 23 23 GLN H H 1 8.334 0.030 . 1 . . . . 23 GLN H . 11313 1 200 . 1 1 23 23 GLN HA H 1 4.512 0.030 . 1 . . . . 23 GLN HA . 11313 1 201 . 1 1 23 23 GLN HB2 H 1 2.292 0.030 . 2 . . . . 23 GLN HB2 . 11313 1 202 . 1 1 23 23 GLN HB3 H 1 2.174 0.030 . 2 . . . . 23 GLN HB3 . 11313 1 203 . 1 1 23 23 GLN HE21 H 1 7.365 0.030 . 2 . . . . 23 GLN HE21 . 11313 1 204 . 1 1 23 23 GLN HE22 H 1 6.805 0.030 . 2 . . . . 23 GLN HE22 . 11313 1 205 . 1 1 23 23 GLN HG2 H 1 2.338 0.030 . 2 . . . . 23 GLN HG2 . 11313 1 206 . 1 1 23 23 GLN HG3 H 1 2.228 0.030 . 2 . . . . 23 GLN HG3 . 11313 1 207 . 1 1 23 23 GLN C C 13 174.580 0.300 . 1 . . . . 23 GLN C . 11313 1 208 . 1 1 23 23 GLN CA C 13 53.259 0.300 . 1 . . . . 23 GLN CA . 11313 1 209 . 1 1 23 23 GLN CB C 13 31.588 0.300 . 1 . . . . 23 GLN CB . 11313 1 210 . 1 1 23 23 GLN CG C 13 33.699 0.300 . 1 . . . . 23 GLN CG . 11313 1 211 . 1 1 23 23 GLN N N 15 119.369 0.300 . 1 . . . . 23 GLN N . 11313 1 212 . 1 1 23 23 GLN NE2 N 15 112.961 0.300 . 1 . . . . 23 GLN NE2 . 11313 1 213 . 1 1 24 24 ALA H H 1 8.131 0.030 . 1 . . . . 24 ALA H . 11313 1 214 . 1 1 24 24 ALA HA H 1 4.112 0.030 . 1 . . . . 24 ALA HA . 11313 1 215 . 1 1 24 24 ALA HB1 H 1 1.330 0.030 . 1 . . . . 24 ALA HB . 11313 1 216 . 1 1 24 24 ALA HB2 H 1 1.330 0.030 . 1 . . . . 24 ALA HB . 11313 1 217 . 1 1 24 24 ALA HB3 H 1 1.330 0.030 . 1 . . . . 24 ALA HB . 11313 1 218 . 1 1 24 24 ALA C C 13 177.585 0.300 . 1 . . . . 24 ALA C . 11313 1 219 . 1 1 24 24 ALA CA C 13 52.656 0.300 . 1 . . . . 24 ALA CA . 11313 1 220 . 1 1 24 24 ALA CB C 13 18.434 0.300 . 1 . . . . 24 ALA CB . 11313 1 221 . 1 1 24 24 ALA N N 15 121.426 0.300 . 1 . . . . 24 ALA N . 11313 1 222 . 1 1 25 25 PHE H H 1 7.113 0.030 . 1 . . . . 25 PHE H . 11313 1 223 . 1 1 25 25 PHE HA H 1 4.636 0.030 . 1 . . . . 25 PHE HA . 11313 1 224 . 1 1 25 25 PHE HB2 H 1 2.708 0.030 . 2 . . . . 25 PHE HB2 . 11313 1 225 . 1 1 25 25 PHE HB3 H 1 2.539 0.030 . 2 . . . . 25 PHE HB3 . 11313 1 226 . 1 1 25 25 PHE HD1 H 1 7.126 0.030 . 1 . . . . 25 PHE HD1 . 11313 1 227 . 1 1 25 25 PHE HD2 H 1 7.126 0.030 . 1 . . . . 25 PHE HD2 . 11313 1 228 . 1 1 25 25 PHE HE1 H 1 6.949 0.030 . 1 . . . . 25 PHE HE1 . 11313 1 229 . 1 1 25 25 PHE HE2 H 1 6.949 0.030 . 1 . . . . 25 PHE HE2 . 11313 1 230 . 1 1 25 25 PHE HZ H 1 6.792 0.030 . 1 . . . . 25 PHE HZ . 11313 1 231 . 1 1 25 25 PHE C C 13 177.378 0.300 . 1 . . . . 25 PHE C . 11313 1 232 . 1 1 25 25 PHE CA C 13 59.534 0.300 . 1 . . . . 25 PHE CA . 11313 1 233 . 1 1 25 25 PHE CB C 13 41.516 0.300 . 1 . . . . 25 PHE CB . 11313 1 234 . 1 1 25 25 PHE CD1 C 13 131.268 0.300 . 1 . . . . 25 PHE CD1 . 11313 1 235 . 1 1 25 25 PHE CD2 C 13 131.268 0.300 . 1 . . . . 25 PHE CD2 . 11313 1 236 . 1 1 25 25 PHE CE1 C 13 130.919 0.300 . 1 . . . . 25 PHE CE1 . 11313 1 237 . 1 1 25 25 PHE CE2 C 13 130.919 0.300 . 1 . . . . 25 PHE CE2 . 11313 1 238 . 1 1 25 25 PHE CZ C 13 130.800 0.300 . 1 . . . . 25 PHE CZ . 11313 1 239 . 1 1 25 25 PHE N N 15 115.603 0.300 . 1 . . . . 25 PHE N . 11313 1 240 . 1 1 26 26 GLN H H 1 8.537 0.030 . 1 . . . . 26 GLN H . 11313 1 241 . 1 1 26 26 GLN HA H 1 4.604 0.030 . 1 . . . . 26 GLN HA . 11313 1 242 . 1 1 26 26 GLN HB2 H 1 2.104 0.030 . 1 . . . . 26 GLN HB2 . 11313 1 243 . 1 1 26 26 GLN HB3 H 1 2.104 0.030 . 1 . . . . 26 GLN HB3 . 11313 1 244 . 1 1 26 26 GLN HE21 H 1 7.659 0.030 . 2 . . . . 26 GLN HE21 . 11313 1 245 . 1 1 26 26 GLN HE22 H 1 6.816 0.030 . 2 . . . . 26 GLN HE22 . 11313 1 246 . 1 1 26 26 GLN HG2 H 1 2.336 0.030 . 2 . . . . 26 GLN HG2 . 11313 1 247 . 1 1 26 26 GLN HG3 H 1 2.458 0.030 . 2 . . . . 26 GLN HG3 . 11313 1 248 . 1 1 26 26 GLN C C 13 176.163 0.300 . 1 . . . . 26 GLN C . 11313 1 249 . 1 1 26 26 GLN CA C 13 54.787 0.300 . 1 . . . . 26 GLN CA . 11313 1 250 . 1 1 26 26 GLN CB C 13 30.021 0.300 . 1 . . . . 26 GLN CB . 11313 1 251 . 1 1 26 26 GLN CG C 13 33.716 0.300 . 1 . . . . 26 GLN CG . 11313 1 252 . 1 1 26 26 GLN N N 15 122.752 0.300 . 1 . . . . 26 GLN N . 11313 1 253 . 1 1 26 26 GLN NE2 N 15 112.710 0.300 . 1 . . . . 26 GLN NE2 . 11313 1 254 . 1 1 27 27 ASN H H 1 9.559 0.030 . 1 . . . . 27 ASN H . 11313 1 255 . 1 1 27 27 ASN HA H 1 4.505 0.030 . 1 . . . . 27 ASN HA . 11313 1 256 . 1 1 27 27 ASN HB2 H 1 2.970 0.030 . 2 . . . . 27 ASN HB2 . 11313 1 257 . 1 1 27 27 ASN HB3 H 1 3.086 0.030 . 2 . . . . 27 ASN HB3 . 11313 1 258 . 1 1 27 27 ASN HD21 H 1 7.639 0.030 . 2 . . . . 27 ASN HD21 . 11313 1 259 . 1 1 27 27 ASN HD22 H 1 6.855 0.030 . 2 . . . . 27 ASN HD22 . 11313 1 260 . 1 1 27 27 ASN C C 13 171.194 0.300 . 1 . . . . 27 ASN C . 11313 1 261 . 1 1 27 27 ASN CA C 13 53.756 0.300 . 1 . . . . 27 ASN CA . 11313 1 262 . 1 1 27 27 ASN CB C 13 37.539 0.300 . 1 . . . . 27 ASN CB . 11313 1 263 . 1 1 27 27 ASN N N 15 122.078 0.300 . 1 . . . . 27 ASN N . 11313 1 264 . 1 1 27 27 ASN ND2 N 15 113.417 0.300 . 1 . . . . 27 ASN ND2 . 11313 1 265 . 1 1 28 28 PRO HA H 1 4.818 0.030 . 1 . . . . 28 PRO HA . 11313 1 266 . 1 1 28 28 PRO HB2 H 1 1.396 0.030 . 2 . . . . 28 PRO HB2 . 11313 1 267 . 1 1 28 28 PRO HB3 H 1 1.341 0.030 . 2 . . . . 28 PRO HB3 . 11313 1 268 . 1 1 28 28 PRO HD2 H 1 3.301 0.030 . 2 . . . . 28 PRO HD2 . 11313 1 269 . 1 1 28 28 PRO HD3 H 1 3.866 0.030 . 2 . . . . 28 PRO HD3 . 11313 1 270 . 1 1 28 28 PRO HG2 H 1 1.639 0.030 . 2 . . . . 28 PRO HG2 . 11313 1 271 . 1 1 28 28 PRO HG3 H 1 1.927 0.030 . 2 . . . . 28 PRO HG3 . 11313 1 272 . 1 1 28 28 PRO C C 13 176.874 0.300 . 1 . . . . 28 PRO C . 11313 1 273 . 1 1 28 28 PRO CA C 13 62.417 0.300 . 1 . . . . 28 PRO CA . 11313 1 274 . 1 1 28 28 PRO CB C 13 31.430 0.300 . 1 . . . . 28 PRO CB . 11313 1 275 . 1 1 28 28 PRO CD C 13 50.373 0.300 . 1 . . . . 28 PRO CD . 11313 1 276 . 1 1 28 28 PRO CG C 13 27.378 0.300 . 1 . . . . 28 PRO CG . 11313 1 277 . 1 1 29 29 VAL H H 1 9.538 0.030 . 1 . . . . 29 VAL H . 11313 1 278 . 1 1 29 29 VAL HA H 1 5.143 0.030 . 1 . . . . 29 VAL HA . 11313 1 279 . 1 1 29 29 VAL HB H 1 1.896 0.030 . 1 . . . . 29 VAL HB . 11313 1 280 . 1 1 29 29 VAL HG11 H 1 0.844 0.030 . 1 . . . . 29 VAL HG1 . 11313 1 281 . 1 1 29 29 VAL HG12 H 1 0.844 0.030 . 1 . . . . 29 VAL HG1 . 11313 1 282 . 1 1 29 29 VAL HG13 H 1 0.844 0.030 . 1 . . . . 29 VAL HG1 . 11313 1 283 . 1 1 29 29 VAL HG21 H 1 0.781 0.030 . 1 . . . . 29 VAL HG2 . 11313 1 284 . 1 1 29 29 VAL HG22 H 1 0.781 0.030 . 1 . . . . 29 VAL HG2 . 11313 1 285 . 1 1 29 29 VAL HG23 H 1 0.781 0.030 . 1 . . . . 29 VAL HG2 . 11313 1 286 . 1 1 29 29 VAL C C 13 173.026 0.300 . 1 . . . . 29 VAL C . 11313 1 287 . 1 1 29 29 VAL CA C 13 58.320 0.300 . 1 . . . . 29 VAL CA . 11313 1 288 . 1 1 29 29 VAL CB C 13 36.233 0.300 . 1 . . . . 29 VAL CB . 11313 1 289 . 1 1 29 29 VAL CG1 C 13 21.097 0.300 . 2 . . . . 29 VAL CG1 . 11313 1 290 . 1 1 29 29 VAL CG2 C 13 18.108 0.300 . 2 . . . . 29 VAL CG2 . 11313 1 291 . 1 1 29 29 VAL N N 15 116.418 0.300 . 1 . . . . 29 VAL N . 11313 1 292 . 1 1 30 30 VAL H H 1 9.329 0.030 . 1 . . . . 30 VAL H . 11313 1 293 . 1 1 30 30 VAL HA H 1 5.368 0.030 . 1 . . . . 30 VAL HA . 11313 1 294 . 1 1 30 30 VAL HB H 1 1.547 0.030 . 1 . . . . 30 VAL HB . 11313 1 295 . 1 1 30 30 VAL HG11 H 1 0.802 0.030 . 1 . . . . 30 VAL HG1 . 11313 1 296 . 1 1 30 30 VAL HG12 H 1 0.802 0.030 . 1 . . . . 30 VAL HG1 . 11313 1 297 . 1 1 30 30 VAL HG13 H 1 0.802 0.030 . 1 . . . . 30 VAL HG1 . 11313 1 298 . 1 1 30 30 VAL HG21 H 1 0.371 0.030 . 1 . . . . 30 VAL HG2 . 11313 1 299 . 1 1 30 30 VAL HG22 H 1 0.371 0.030 . 1 . . . . 30 VAL HG2 . 11313 1 300 . 1 1 30 30 VAL HG23 H 1 0.371 0.030 . 1 . . . . 30 VAL HG2 . 11313 1 301 . 1 1 30 30 VAL C C 13 175.519 0.300 . 1 . . . . 30 VAL C . 11313 1 302 . 1 1 30 30 VAL CA C 13 57.568 0.300 . 1 . . . . 30 VAL CA . 11313 1 303 . 1 1 30 30 VAL CB C 13 36.363 0.300 . 1 . . . . 30 VAL CB . 11313 1 304 . 1 1 30 30 VAL CG1 C 13 18.440 0.300 . 2 . . . . 30 VAL CG1 . 11313 1 305 . 1 1 30 30 VAL CG2 C 13 21.099 0.300 . 2 . . . . 30 VAL CG2 . 11313 1 306 . 1 1 30 30 VAL N N 15 118.662 0.300 . 1 . . . . 30 VAL N . 11313 1 307 . 1 1 31 31 THR H H 1 8.668 0.030 . 1 . . . . 31 THR H . 11313 1 308 . 1 1 31 31 THR HA H 1 4.770 0.030 . 1 . . . . 31 THR HA . 11313 1 309 . 1 1 31 31 THR HB H 1 4.991 0.030 . 1 . . . . 31 THR HB . 11313 1 310 . 1 1 31 31 THR HG21 H 1 1.707 0.030 . 1 . . . . 31 THR HG2 . 11313 1 311 . 1 1 31 31 THR HG22 H 1 1.707 0.030 . 1 . . . . 31 THR HG2 . 11313 1 312 . 1 1 31 31 THR HG23 H 1 1.707 0.030 . 1 . . . . 31 THR HG2 . 11313 1 313 . 1 1 31 31 THR C C 13 179.049 0.300 . 1 . . . . 31 THR C . 11313 1 314 . 1 1 31 31 THR CA C 13 60.913 0.300 . 1 . . . . 31 THR CA . 11313 1 315 . 1 1 31 31 THR CB C 13 71.056 0.300 . 1 . . . . 31 THR CB . 11313 1 316 . 1 1 31 31 THR CG2 C 13 23.079 0.300 . 1 . . . . 31 THR CG2 . 11313 1 317 . 1 1 31 31 THR N N 15 117.946 0.300 . 1 . . . . 31 THR N . 11313 1 318 . 1 1 32 32 LYS H H 1 10.474 0.030 . 1 . . . . 32 LYS H . 11313 1 319 . 1 1 32 32 LYS HA H 1 4.007 0.030 . 1 . . . . 32 LYS HA . 11313 1 320 . 1 1 32 32 LYS HB2 H 1 1.927 0.030 . 2 . . . . 32 LYS HB2 . 11313 1 321 . 1 1 32 32 LYS HB3 H 1 1.810 0.030 . 2 . . . . 32 LYS HB3 . 11313 1 322 . 1 1 32 32 LYS HD2 H 1 1.613 0.030 . 1 . . . . 32 LYS HD2 . 11313 1 323 . 1 1 32 32 LYS HD3 H 1 1.613 0.030 . 1 . . . . 32 LYS HD3 . 11313 1 324 . 1 1 32 32 LYS HE2 H 1 2.888 0.030 . 1 . . . . 32 LYS HE2 . 11313 1 325 . 1 1 32 32 LYS HE3 H 1 2.888 0.030 . 1 . . . . 32 LYS HE3 . 11313 1 326 . 1 1 32 32 LYS HG2 H 1 1.537 0.030 . 2 . . . . 32 LYS HG2 . 11313 1 327 . 1 1 32 32 LYS HG3 H 1 1.464 0.030 . 2 . . . . 32 LYS HG3 . 11313 1 328 . 1 1 32 32 LYS C C 13 176.959 0.300 . 1 . . . . 32 LYS C . 11313 1 329 . 1 1 32 32 LYS CA C 13 59.310 0.300 . 1 . . . . 32 LYS CA . 11313 1 330 . 1 1 32 32 LYS CB C 13 31.740 0.300 . 1 . . . . 32 LYS CB . 11313 1 331 . 1 1 32 32 LYS CD C 13 29.331 0.300 . 1 . . . . 32 LYS CD . 11313 1 332 . 1 1 32 32 LYS CE C 13 41.637 0.300 . 1 . . . . 32 LYS CE . 11313 1 333 . 1 1 32 32 LYS CG C 13 24.814 0.300 . 1 . . . . 32 LYS CG . 11313 1 334 . 1 1 32 32 LYS N N 15 123.906 0.300 . 1 . . . . 32 LYS N . 11313 1 335 . 1 1 33 33 CYS H H 1 7.499 0.030 . 1 . . . . 33 CYS H . 11313 1 336 . 1 1 33 33 CYS HA H 1 4.347 0.030 . 1 . . . . 33 CYS HA . 11313 1 337 . 1 1 33 33 CYS HB2 H 1 2.581 0.030 . 2 . . . . 33 CYS HB2 . 11313 1 338 . 1 1 33 33 CYS HB3 H 1 3.200 0.030 . 2 . . . . 33 CYS HB3 . 11313 1 339 . 1 1 33 33 CYS C C 13 172.013 0.300 . 1 . . . . 33 CYS C . 11313 1 340 . 1 1 33 33 CYS CA C 13 55.469 0.300 . 1 . . . . 33 CYS CA . 11313 1 341 . 1 1 33 33 CYS CB C 13 28.404 0.300 . 1 . . . . 33 CYS CB . 11313 1 342 . 1 1 33 33 CYS N N 15 113.438 0.300 . 1 . . . . 33 CYS N . 11313 1 343 . 1 1 34 34 ARG H H 1 7.689 0.030 . 1 . . . . 34 ARG H . 11313 1 344 . 1 1 34 34 ARG HA H 1 3.106 0.030 . 1 . . . . 34 ARG HA . 11313 1 345 . 1 1 34 34 ARG HB2 H 1 1.796 0.030 . 2 . . . . 34 ARG HB2 . 11313 1 346 . 1 1 34 34 ARG HB3 H 1 1.646 0.030 . 2 . . . . 34 ARG HB3 . 11313 1 347 . 1 1 34 34 ARG HD2 H 1 3.060 0.030 . 1 . . . . 34 ARG HD2 . 11313 1 348 . 1 1 34 34 ARG HD3 H 1 3.060 0.030 . 1 . . . . 34 ARG HD3 . 11313 1 349 . 1 1 34 34 ARG HG2 H 1 1.366 0.030 . 1 . . . . 34 ARG HG2 . 11313 1 350 . 1 1 34 34 ARG HG3 H 1 1.366 0.030 . 1 . . . . 34 ARG HG3 . 11313 1 351 . 1 1 34 34 ARG C C 13 172.458 0.300 . 1 . . . . 34 ARG C . 11313 1 352 . 1 1 34 34 ARG CA C 13 56.080 0.300 . 1 . . . . 34 ARG CA . 11313 1 353 . 1 1 34 34 ARG CB C 13 25.681 0.300 . 1 . . . . 34 ARG CB . 11313 1 354 . 1 1 34 34 ARG CD C 13 42.939 0.300 . 1 . . . . 34 ARG CD . 11313 1 355 . 1 1 34 34 ARG CG C 13 27.377 0.300 . 1 . . . . 34 ARG CG . 11313 1 356 . 1 1 34 34 ARG N N 15 116.281 0.300 . 1 . . . . 34 ARG N . 11313 1 357 . 1 1 35 35 HIS H H 1 7.597 0.030 . 1 . . . . 35 HIS H . 11313 1 358 . 1 1 35 35 HIS HA H 1 4.801 0.030 . 1 . . . . 35 HIS HA . 11313 1 359 . 1 1 35 35 HIS HB2 H 1 3.002 0.030 . 2 . . . . 35 HIS HB2 . 11313 1 360 . 1 1 35 35 HIS HB3 H 1 2.816 0.030 . 2 . . . . 35 HIS HB3 . 11313 1 361 . 1 1 35 35 HIS HD2 H 1 7.329 0.030 . 1 . . . . 35 HIS HD2 . 11313 1 362 . 1 1 35 35 HIS HE1 H 1 7.799 0.030 . 1 . . . . 35 HIS HE1 . 11313 1 363 . 1 1 35 35 HIS C C 13 172.313 0.300 . 1 . . . . 35 HIS C . 11313 1 364 . 1 1 35 35 HIS CA C 13 56.581 0.300 . 1 . . . . 35 HIS CA . 11313 1 365 . 1 1 35 35 HIS CB C 13 33.496 0.300 . 1 . . . . 35 HIS CB . 11313 1 366 . 1 1 35 35 HIS CD2 C 13 119.598 0.300 . 1 . . . . 35 HIS CD2 . 11313 1 367 . 1 1 35 35 HIS CE1 C 13 138.676 0.300 . 1 . . . . 35 HIS CE1 . 11313 1 368 . 1 1 35 35 HIS N N 15 117.631 0.300 . 1 . . . . 35 HIS N . 11313 1 369 . 1 1 36 36 TYR H H 1 8.126 0.030 . 1 . . . . 36 TYR H . 11313 1 370 . 1 1 36 36 TYR HA H 1 5.411 0.030 . 1 . . . . 36 TYR HA . 11313 1 371 . 1 1 36 36 TYR HB2 H 1 2.144 0.030 . 2 . . . . 36 TYR HB2 . 11313 1 372 . 1 1 36 36 TYR HB3 H 1 2.495 0.030 . 2 . . . . 36 TYR HB3 . 11313 1 373 . 1 1 36 36 TYR HD1 H 1 6.748 0.030 . 1 . . . . 36 TYR HD1 . 11313 1 374 . 1 1 36 36 TYR HD2 H 1 6.748 0.030 . 1 . . . . 36 TYR HD2 . 11313 1 375 . 1 1 36 36 TYR HE1 H 1 6.550 0.030 . 1 . . . . 36 TYR HE1 . 11313 1 376 . 1 1 36 36 TYR HE2 H 1 6.550 0.030 . 1 . . . . 36 TYR HE2 . 11313 1 377 . 1 1 36 36 TYR C C 13 174.373 0.300 . 1 . . . . 36 TYR C . 11313 1 378 . 1 1 36 36 TYR CA C 13 56.606 0.300 . 1 . . . . 36 TYR CA . 11313 1 379 . 1 1 36 36 TYR CB C 13 41.953 0.300 . 1 . . . . 36 TYR CB . 11313 1 380 . 1 1 36 36 TYR CD1 C 13 133.182 0.300 . 1 . . . . 36 TYR CD1 . 11313 1 381 . 1 1 36 36 TYR CD2 C 13 133.182 0.300 . 1 . . . . 36 TYR CD2 . 11313 1 382 . 1 1 36 36 TYR CE1 C 13 117.722 0.300 . 1 . . . . 36 TYR CE1 . 11313 1 383 . 1 1 36 36 TYR CE2 C 13 117.722 0.300 . 1 . . . . 36 TYR CE2 . 11313 1 384 . 1 1 36 36 TYR N N 15 119.655 0.300 . 1 . . . . 36 TYR N . 11313 1 385 . 1 1 37 37 PHE H H 1 8.496 0.030 . 1 . . . . 37 PHE H . 11313 1 386 . 1 1 37 37 PHE HA H 1 5.824 0.030 . 1 . . . . 37 PHE HA . 11313 1 387 . 1 1 37 37 PHE HB2 H 1 3.394 0.030 . 2 . . . . 37 PHE HB2 . 11313 1 388 . 1 1 37 37 PHE HB3 H 1 2.295 0.030 . 2 . . . . 37 PHE HB3 . 11313 1 389 . 1 1 37 37 PHE HD1 H 1 7.274 0.030 . 1 . . . . 37 PHE HD1 . 11313 1 390 . 1 1 37 37 PHE HD2 H 1 7.274 0.030 . 1 . . . . 37 PHE HD2 . 11313 1 391 . 1 1 37 37 PHE HE1 H 1 7.392 0.030 . 1 . . . . 37 PHE HE1 . 11313 1 392 . 1 1 37 37 PHE HE2 H 1 7.392 0.030 . 1 . . . . 37 PHE HE2 . 11313 1 393 . 1 1 37 37 PHE HZ H 1 7.288 0.030 . 1 . . . . 37 PHE HZ . 11313 1 394 . 1 1 37 37 PHE C C 13 175.313 0.300 . 1 . . . . 37 PHE C . 11313 1 395 . 1 1 37 37 PHE CA C 13 55.538 0.300 . 1 . . . . 37 PHE CA . 11313 1 396 . 1 1 37 37 PHE CB C 13 46.419 0.300 . 1 . . . . 37 PHE CB . 11313 1 397 . 1 1 37 37 PHE CD1 C 13 133.536 0.300 . 1 . . . . 37 PHE CD1 . 11313 1 398 . 1 1 37 37 PHE CD2 C 13 133.536 0.300 . 1 . . . . 37 PHE CD2 . 11313 1 399 . 1 1 37 37 PHE CE1 C 13 131.574 0.300 . 1 . . . . 37 PHE CE1 . 11313 1 400 . 1 1 37 37 PHE CE2 C 13 131.574 0.300 . 1 . . . . 37 PHE CE2 . 11313 1 401 . 1 1 37 37 PHE CZ C 13 130.630 0.300 . 1 . . . . 37 PHE CZ . 11313 1 402 . 1 1 37 37 PHE N N 15 115.153 0.300 . 1 . . . . 37 PHE N . 11313 1 403 . 1 1 38 38 CYS H H 1 9.250 0.030 . 1 . . . . 38 CYS H . 11313 1 404 . 1 1 38 38 CYS HA H 1 4.201 0.030 . 1 . . . . 38 CYS HA . 11313 1 405 . 1 1 38 38 CYS HB2 H 1 3.757 0.030 . 2 . . . . 38 CYS HB2 . 11313 1 406 . 1 1 38 38 CYS HB3 H 1 3.376 0.030 . 2 . . . . 38 CYS HB3 . 11313 1 407 . 1 1 38 38 CYS C C 13 177.668 0.300 . 1 . . . . 38 CYS C . 11313 1 408 . 1 1 38 38 CYS CA C 13 62.022 0.300 . 1 . . . . 38 CYS CA . 11313 1 409 . 1 1 38 38 CYS CB C 13 31.842 0.300 . 1 . . . . 38 CYS CB . 11313 1 410 . 1 1 38 38 CYS N N 15 124.239 0.300 . 1 . . . . 38 CYS N . 11313 1 411 . 1 1 39 39 GLU H H 1 8.324 0.030 . 1 . . . . 39 GLU H . 11313 1 412 . 1 1 39 39 GLU HA H 1 3.702 0.030 . 1 . . . . 39 GLU HA . 11313 1 413 . 1 1 39 39 GLU HB2 H 1 2.134 0.030 . 2 . . . . 39 GLU HB2 . 11313 1 414 . 1 1 39 39 GLU HB3 H 1 2.709 0.030 . 2 . . . . 39 GLU HB3 . 11313 1 415 . 1 1 39 39 GLU HG2 H 1 2.060 0.030 . 1 . . . . 39 GLU HG2 . 11313 1 416 . 1 1 39 39 GLU HG3 H 1 2.060 0.030 . 1 . . . . 39 GLU HG3 . 11313 1 417 . 1 1 39 39 GLU C C 13 178.143 0.300 . 1 . . . . 39 GLU C . 11313 1 418 . 1 1 39 39 GLU CA C 13 61.544 0.300 . 1 . . . . 39 GLU CA . 11313 1 419 . 1 1 39 39 GLU CB C 13 29.876 0.300 . 1 . . . . 39 GLU CB . 11313 1 420 . 1 1 39 39 GLU CG C 13 36.672 0.300 . 1 . . . . 39 GLU CG . 11313 1 421 . 1 1 39 39 GLU N N 15 124.832 0.300 . 1 . . . . 39 GLU N . 11313 1 422 . 1 1 40 40 SER H H 1 9.129 0.030 . 1 . . . . 40 SER H . 11313 1 423 . 1 1 40 40 SER HA H 1 4.063 0.030 . 1 . . . . 40 SER HA . 11313 1 424 . 1 1 40 40 SER HB2 H 1 3.932 0.030 . 1 . . . . 40 SER HB2 . 11313 1 425 . 1 1 40 40 SER HB3 H 1 3.932 0.030 . 1 . . . . 40 SER HB3 . 11313 1 426 . 1 1 40 40 SER C C 13 177.644 0.300 . 1 . . . . 40 SER C . 11313 1 427 . 1 1 40 40 SER CA C 13 61.575 0.300 . 1 . . . . 40 SER CA . 11313 1 428 . 1 1 40 40 SER CB C 13 62.129 0.300 . 1 . . . . 40 SER CB . 11313 1 429 . 1 1 40 40 SER N N 15 111.494 0.300 . 1 . . . . 40 SER N . 11313 1 430 . 1 1 41 41 CYS H H 1 6.912 0.030 . 1 . . . . 41 CYS H . 11313 1 431 . 1 1 41 41 CYS HA H 1 3.893 0.030 . 1 . . . . 41 CYS HA . 11313 1 432 . 1 1 41 41 CYS HB2 H 1 2.903 0.030 . 2 . . . . 41 CYS HB2 . 11313 1 433 . 1 1 41 41 CYS HB3 H 1 2.806 0.030 . 2 . . . . 41 CYS HB3 . 11313 1 434 . 1 1 41 41 CYS C C 13 177.606 0.300 . 1 . . . . 41 CYS C . 11313 1 435 . 1 1 41 41 CYS CA C 13 63.425 0.300 . 1 . . . . 41 CYS CA . 11313 1 436 . 1 1 41 41 CYS CB C 13 29.550 0.300 . 1 . . . . 41 CYS CB . 11313 1 437 . 1 1 41 41 CYS N N 15 122.064 0.300 . 1 . . . . 41 CYS N . 11313 1 438 . 1 1 42 42 ALA H H 1 8.431 0.030 . 1 . . . . 42 ALA H . 11313 1 439 . 1 1 42 42 ALA HA H 1 3.332 0.030 . 1 . . . . 42 ALA HA . 11313 1 440 . 1 1 42 42 ALA HB1 H 1 0.697 0.030 . 1 . . . . 42 ALA HB . 11313 1 441 . 1 1 42 42 ALA HB2 H 1 0.697 0.030 . 1 . . . . 42 ALA HB . 11313 1 442 . 1 1 42 42 ALA HB3 H 1 0.697 0.030 . 1 . . . . 42 ALA HB . 11313 1 443 . 1 1 42 42 ALA C C 13 180.354 0.300 . 1 . . . . 42 ALA C . 11313 1 444 . 1 1 42 42 ALA CA C 13 54.693 0.300 . 1 . . . . 42 ALA CA . 11313 1 445 . 1 1 42 42 ALA CB C 13 17.172 0.300 . 1 . . . . 42 ALA CB . 11313 1 446 . 1 1 42 42 ALA N N 15 121.200 0.300 . 1 . . . . 42 ALA N . 11313 1 447 . 1 1 43 43 LEU H H 1 8.229 0.030 . 1 . . . . 43 LEU H . 11313 1 448 . 1 1 43 43 LEU HA H 1 3.873 0.030 . 1 . . . . 43 LEU HA . 11313 1 449 . 1 1 43 43 LEU HB2 H 1 1.433 0.030 . 2 . . . . 43 LEU HB2 . 11313 1 450 . 1 1 43 43 LEU HB3 H 1 1.792 0.030 . 2 . . . . 43 LEU HB3 . 11313 1 451 . 1 1 43 43 LEU HD11 H 1 0.816 0.030 . 1 . . . . 43 LEU HD1 . 11313 1 452 . 1 1 43 43 LEU HD12 H 1 0.816 0.030 . 1 . . . . 43 LEU HD1 . 11313 1 453 . 1 1 43 43 LEU HD13 H 1 0.816 0.030 . 1 . . . . 43 LEU HD1 . 11313 1 454 . 1 1 43 43 LEU HD21 H 1 0.731 0.030 . 1 . . . . 43 LEU HD2 . 11313 1 455 . 1 1 43 43 LEU HD22 H 1 0.731 0.030 . 1 . . . . 43 LEU HD2 . 11313 1 456 . 1 1 43 43 LEU HD23 H 1 0.731 0.030 . 1 . . . . 43 LEU HD2 . 11313 1 457 . 1 1 43 43 LEU HG H 1 1.694 0.030 . 1 . . . . 43 LEU HG . 11313 1 458 . 1 1 43 43 LEU C C 13 179.711 0.300 . 1 . . . . 43 LEU C . 11313 1 459 . 1 1 43 43 LEU CA C 13 57.715 0.300 . 1 . . . . 43 LEU CA . 11313 1 460 . 1 1 43 43 LEU CB C 13 41.010 0.300 . 1 . . . . 43 LEU CB . 11313 1 461 . 1 1 43 43 LEU CD1 C 13 25.180 0.300 . 2 . . . . 43 LEU CD1 . 11313 1 462 . 1 1 43 43 LEU CD2 C 13 22.447 0.300 . 2 . . . . 43 LEU CD2 . 11313 1 463 . 1 1 43 43 LEU CG C 13 26.870 0.300 . 1 . . . . 43 LEU CG . 11313 1 464 . 1 1 43 43 LEU N N 15 118.321 0.300 . 1 . . . . 43 LEU N . 11313 1 465 . 1 1 44 44 GLU H H 1 8.069 0.030 . 1 . . . . 44 GLU H . 11313 1 466 . 1 1 44 44 GLU HA H 1 4.058 0.030 . 1 . . . . 44 GLU HA . 11313 1 467 . 1 1 44 44 GLU HB2 H 1 2.134 0.030 . 2 . . . . 44 GLU HB2 . 11313 1 468 . 1 1 44 44 GLU HB3 H 1 2.068 0.030 . 2 . . . . 44 GLU HB3 . 11313 1 469 . 1 1 44 44 GLU HG2 H 1 2.286 0.030 . 2 . . . . 44 GLU HG2 . 11313 1 470 . 1 1 44 44 GLU HG3 H 1 2.255 0.030 . 2 . . . . 44 GLU HG3 . 11313 1 471 . 1 1 44 44 GLU C C 13 179.680 0.300 . 1 . . . . 44 GLU C . 11313 1 472 . 1 1 44 44 GLU CA C 13 59.093 0.300 . 1 . . . . 44 GLU CA . 11313 1 473 . 1 1 44 44 GLU CB C 13 29.042 0.300 . 1 . . . . 44 GLU CB . 11313 1 474 . 1 1 44 44 GLU CG C 13 35.822 0.300 . 1 . . . . 44 GLU CG . 11313 1 475 . 1 1 44 44 GLU N N 15 120.289 0.300 . 1 . . . . 44 GLU N . 11313 1 476 . 1 1 45 45 HIS H H 1 8.051 0.030 . 1 . . . . 45 HIS H . 11313 1 477 . 1 1 45 45 HIS HA H 1 4.400 0.030 . 1 . . . . 45 HIS HA . 11313 1 478 . 1 1 45 45 HIS HB2 H 1 2.902 0.030 . 2 . . . . 45 HIS HB2 . 11313 1 479 . 1 1 45 45 HIS HB3 H 1 3.255 0.030 . 2 . . . . 45 HIS HB3 . 11313 1 480 . 1 1 45 45 HIS HD2 H 1 7.263 0.030 . 1 . . . . 45 HIS HD2 . 11313 1 481 . 1 1 45 45 HIS HE1 H 1 7.952 0.030 . 1 . . . . 45 HIS HE1 . 11313 1 482 . 1 1 45 45 HIS C C 13 176.648 0.300 . 1 . . . . 45 HIS C . 11313 1 483 . 1 1 45 45 HIS CA C 13 60.365 0.300 . 1 . . . . 45 HIS CA . 11313 1 484 . 1 1 45 45 HIS CB C 13 29.920 0.300 . 1 . . . . 45 HIS CB . 11313 1 485 . 1 1 45 45 HIS CD2 C 13 119.504 0.300 . 1 . . . . 45 HIS CD2 . 11313 1 486 . 1 1 45 45 HIS CE1 C 13 138.493 0.300 . 1 . . . . 45 HIS CE1 . 11313 1 487 . 1 1 45 45 HIS N N 15 121.012 0.300 . 1 . . . . 45 HIS N . 11313 1 488 . 1 1 46 46 PHE H H 1 8.038 0.030 . 1 . . . . 46 PHE H . 11313 1 489 . 1 1 46 46 PHE HA H 1 4.820 0.030 . 1 . . . . 46 PHE HA . 11313 1 490 . 1 1 46 46 PHE HB2 H 1 3.093 0.030 . 2 . . . . 46 PHE HB2 . 11313 1 491 . 1 1 46 46 PHE HB3 H 1 3.354 0.030 . 2 . . . . 46 PHE HB3 . 11313 1 492 . 1 1 46 46 PHE HD1 H 1 7.430 0.030 . 1 . . . . 46 PHE HD1 . 11313 1 493 . 1 1 46 46 PHE HD2 H 1 7.430 0.030 . 1 . . . . 46 PHE HD2 . 11313 1 494 . 1 1 46 46 PHE HE1 H 1 7.247 0.030 . 1 . . . . 46 PHE HE1 . 11313 1 495 . 1 1 46 46 PHE HE2 H 1 7.247 0.030 . 1 . . . . 46 PHE HE2 . 11313 1 496 . 1 1 46 46 PHE HZ H 1 7.196 0.030 . 1 . . . . 46 PHE HZ . 11313 1 497 . 1 1 46 46 PHE C C 13 175.894 0.300 . 1 . . . . 46 PHE C . 11313 1 498 . 1 1 46 46 PHE CA C 13 58.819 0.300 . 1 . . . . 46 PHE CA . 11313 1 499 . 1 1 46 46 PHE CB C 13 39.604 0.300 . 1 . . . . 46 PHE CB . 11313 1 500 . 1 1 46 46 PHE CD1 C 13 132.141 0.300 . 1 . . . . 46 PHE CD1 . 11313 1 501 . 1 1 46 46 PHE CD2 C 13 132.141 0.300 . 1 . . . . 46 PHE CD2 . 11313 1 502 . 1 1 46 46 PHE CE1 C 13 130.961 0.300 . 1 . . . . 46 PHE CE1 . 11313 1 503 . 1 1 46 46 PHE CE2 C 13 130.961 0.300 . 1 . . . . 46 PHE CE2 . 11313 1 504 . 1 1 46 46 PHE CZ C 13 129.874 0.300 . 1 . . . . 46 PHE CZ . 11313 1 505 . 1 1 46 46 PHE N N 15 117.767 0.300 . 1 . . . . 46 PHE N . 11313 1 506 . 1 1 47 47 ARG H H 1 7.355 0.030 . 1 . . . . 47 ARG H . 11313 1 507 . 1 1 47 47 ARG HA H 1 3.799 0.030 . 1 . . . . 47 ARG HA . 11313 1 508 . 1 1 47 47 ARG HB2 H 1 1.830 0.030 . 2 . . . . 47 ARG HB2 . 11313 1 509 . 1 1 47 47 ARG HB3 H 1 1.873 0.030 . 2 . . . . 47 ARG HB3 . 11313 1 510 . 1 1 47 47 ARG HD2 H 1 3.213 0.030 . 1 . . . . 47 ARG HD2 . 11313 1 511 . 1 1 47 47 ARG HD3 H 1 3.213 0.030 . 1 . . . . 47 ARG HD3 . 11313 1 512 . 1 1 47 47 ARG HG2 H 1 1.616 0.030 . 2 . . . . 47 ARG HG2 . 11313 1 513 . 1 1 47 47 ARG HG3 H 1 1.953 0.030 . 2 . . . . 47 ARG HG3 . 11313 1 514 . 1 1 47 47 ARG C C 13 177.660 0.300 . 1 . . . . 47 ARG C . 11313 1 515 . 1 1 47 47 ARG CA C 13 58.763 0.300 . 1 . . . . 47 ARG CA . 11313 1 516 . 1 1 47 47 ARG CB C 13 30.210 0.300 . 1 . . . . 47 ARG CB . 11313 1 517 . 1 1 47 47 ARG CD C 13 43.716 0.300 . 1 . . . . 47 ARG CD . 11313 1 518 . 1 1 47 47 ARG CG C 13 28.082 0.300 . 1 . . . . 47 ARG CG . 11313 1 519 . 1 1 47 47 ARG N N 15 115.842 0.300 . 1 . . . . 47 ARG N . 11313 1 520 . 1 1 48 48 ALA H H 1 7.362 0.030 . 1 . . . . 48 ALA H . 11313 1 521 . 1 1 48 48 ALA HA H 1 4.232 0.030 . 1 . . . . 48 ALA HA . 11313 1 522 . 1 1 48 48 ALA HB1 H 1 1.370 0.030 . 1 . . . . 48 ALA HB . 11313 1 523 . 1 1 48 48 ALA HB2 H 1 1.370 0.030 . 1 . . . . 48 ALA HB . 11313 1 524 . 1 1 48 48 ALA HB3 H 1 1.370 0.030 . 1 . . . . 48 ALA HB . 11313 1 525 . 1 1 48 48 ALA C C 13 177.731 0.300 . 1 . . . . 48 ALA C . 11313 1 526 . 1 1 48 48 ALA CA C 13 53.141 0.300 . 1 . . . . 48 ALA CA . 11313 1 527 . 1 1 48 48 ALA CB C 13 19.628 0.300 . 1 . . . . 48 ALA CB . 11313 1 528 . 1 1 48 48 ALA N N 15 120.065 0.300 . 1 . . . . 48 ALA N . 11313 1 529 . 1 1 49 49 THR H H 1 8.057 0.030 . 1 . . . . 49 THR H . 11313 1 530 . 1 1 49 49 THR HA H 1 4.759 0.030 . 1 . . . . 49 THR HA . 11313 1 531 . 1 1 49 49 THR HB H 1 4.128 0.030 . 1 . . . . 49 THR HB . 11313 1 532 . 1 1 49 49 THR HG21 H 1 0.759 0.030 . 1 . . . . 49 THR HG2 . 11313 1 533 . 1 1 49 49 THR HG22 H 1 0.759 0.030 . 1 . . . . 49 THR HG2 . 11313 1 534 . 1 1 49 49 THR HG23 H 1 0.759 0.030 . 1 . . . . 49 THR HG2 . 11313 1 535 . 1 1 49 49 THR C C 13 170.716 0.300 . 1 . . . . 49 THR C . 11313 1 536 . 1 1 49 49 THR CA C 13 56.872 0.300 . 1 . . . . 49 THR CA . 11313 1 537 . 1 1 49 49 THR CB C 13 69.219 0.300 . 1 . . . . 49 THR CB . 11313 1 538 . 1 1 49 49 THR CG2 C 13 19.768 0.300 . 1 . . . . 49 THR CG2 . 11313 1 539 . 1 1 49 49 THR N N 15 115.508 0.300 . 1 . . . . 49 THR N . 11313 1 540 . 1 1 50 50 PRO HA H 1 4.823 0.030 . 1 . . . . 50 PRO HA . 11313 1 541 . 1 1 50 50 PRO HB2 H 1 2.170 0.030 . 2 . . . . 50 PRO HB2 . 11313 1 542 . 1 1 50 50 PRO HB3 H 1 2.313 0.030 . 2 . . . . 50 PRO HB3 . 11313 1 543 . 1 1 50 50 PRO HD2 H 1 3.520 0.030 . 2 . . . . 50 PRO HD2 . 11313 1 544 . 1 1 50 50 PRO HD3 H 1 3.819 0.030 . 2 . . . . 50 PRO HD3 . 11313 1 545 . 1 1 50 50 PRO HG2 H 1 1.775 0.030 . 2 . . . . 50 PRO HG2 . 11313 1 546 . 1 1 50 50 PRO HG3 H 1 1.971 0.030 . 2 . . . . 50 PRO HG3 . 11313 1 547 . 1 1 50 50 PRO C C 13 177.637 0.300 . 1 . . . . 50 PRO C . 11313 1 548 . 1 1 50 50 PRO CA C 13 63.160 0.300 . 1 . . . . 50 PRO CA . 11313 1 549 . 1 1 50 50 PRO CB C 13 31.996 0.300 . 1 . . . . 50 PRO CB . 11313 1 550 . 1 1 50 50 PRO CD C 13 51.002 0.300 . 1 . . . . 50 PRO CD . 11313 1 551 . 1 1 50 50 PRO CG C 13 26.761 0.300 . 1 . . . . 50 PRO CG . 11313 1 552 . 1 1 51 51 ARG H H 1 7.782 0.030 . 1 . . . . 51 ARG H . 11313 1 553 . 1 1 51 51 ARG HA H 1 4.386 0.030 . 1 . . . . 51 ARG HA . 11313 1 554 . 1 1 51 51 ARG HB2 H 1 1.638 0.030 . 2 . . . . 51 ARG HB2 . 11313 1 555 . 1 1 51 51 ARG HB3 H 1 1.492 0.030 . 2 . . . . 51 ARG HB3 . 11313 1 556 . 1 1 51 51 ARG HD2 H 1 3.168 0.030 . 2 . . . . 51 ARG HD2 . 11313 1 557 . 1 1 51 51 ARG HD3 H 1 3.084 0.030 . 2 . . . . 51 ARG HD3 . 11313 1 558 . 1 1 51 51 ARG HG2 H 1 1.188 0.030 . 2 . . . . 51 ARG HG2 . 11313 1 559 . 1 1 51 51 ARG HG3 H 1 1.496 0.030 . 2 . . . . 51 ARG HG3 . 11313 1 560 . 1 1 51 51 ARG C C 13 176.209 0.300 . 1 . . . . 51 ARG C . 11313 1 561 . 1 1 51 51 ARG CA C 13 56.247 0.300 . 1 . . . . 51 ARG CA . 11313 1 562 . 1 1 51 51 ARG CB C 13 31.790 0.300 . 1 . . . . 51 ARG CB . 11313 1 563 . 1 1 51 51 ARG CD C 13 42.582 0.300 . 1 . . . . 51 ARG CD . 11313 1 564 . 1 1 51 51 ARG CG C 13 28.972 0.300 . 1 . . . . 51 ARG CG . 11313 1 565 . 1 1 51 51 ARG N N 15 122.726 0.300 . 1 . . . . 51 ARG N . 11313 1 566 . 1 1 52 52 CYS H H 1 9.032 0.030 . 1 . . . . 52 CYS H . 11313 1 567 . 1 1 52 52 CYS HA H 1 4.359 0.030 . 1 . . . . 52 CYS HA . 11313 1 568 . 1 1 52 52 CYS HB2 H 1 3.064 0.030 . 2 . . . . 52 CYS HB2 . 11313 1 569 . 1 1 52 52 CYS HB3 H 1 3.282 0.030 . 2 . . . . 52 CYS HB3 . 11313 1 570 . 1 1 52 52 CYS C C 13 177.804 0.300 . 1 . . . . 52 CYS C . 11313 1 571 . 1 1 52 52 CYS CA C 13 59.748 0.300 . 1 . . . . 52 CYS CA . 11313 1 572 . 1 1 52 52 CYS CB C 13 31.762 0.300 . 1 . . . . 52 CYS CB . 11313 1 573 . 1 1 52 52 CYS N N 15 126.049 0.300 . 1 . . . . 52 CYS N . 11313 1 574 . 1 1 53 53 TYR H H 1 9.287 0.030 . 1 . . . . 53 TYR H . 11313 1 575 . 1 1 53 53 TYR HA H 1 3.745 0.030 . 1 . . . . 53 TYR HA . 11313 1 576 . 1 1 53 53 TYR HB2 H 1 2.133 0.030 . 2 . . . . 53 TYR HB2 . 11313 1 577 . 1 1 53 53 TYR HB3 H 1 2.425 0.030 . 2 . . . . 53 TYR HB3 . 11313 1 578 . 1 1 53 53 TYR HD1 H 1 6.317 0.030 . 1 . . . . 53 TYR HD1 . 11313 1 579 . 1 1 53 53 TYR HD2 H 1 6.317 0.030 . 1 . . . . 53 TYR HD2 . 11313 1 580 . 1 1 53 53 TYR HE1 H 1 6.765 0.030 . 1 . . . . 53 TYR HE1 . 11313 1 581 . 1 1 53 53 TYR HE2 H 1 6.765 0.030 . 1 . . . . 53 TYR HE2 . 11313 1 582 . 1 1 53 53 TYR C C 13 176.410 0.300 . 1 . . . . 53 TYR C . 11313 1 583 . 1 1 53 53 TYR CA C 13 61.727 0.300 . 1 . . . . 53 TYR CA . 11313 1 584 . 1 1 53 53 TYR CB C 13 40.533 0.300 . 1 . . . . 53 TYR CB . 11313 1 585 . 1 1 53 53 TYR CD1 C 13 133.086 0.300 . 1 . . . . 53 TYR CD1 . 11313 1 586 . 1 1 53 53 TYR CD2 C 13 133.086 0.300 . 1 . . . . 53 TYR CD2 . 11313 1 587 . 1 1 53 53 TYR CE1 C 13 118.430 0.300 . 1 . . . . 53 TYR CE1 . 11313 1 588 . 1 1 53 53 TYR CE2 C 13 118.430 0.300 . 1 . . . . 53 TYR CE2 . 11313 1 589 . 1 1 53 53 TYR N N 15 131.541 0.300 . 1 . . . . 53 TYR N . 11313 1 590 . 1 1 54 54 ILE H H 1 9.082 0.030 . 1 . . . . 54 ILE H . 11313 1 591 . 1 1 54 54 ILE HA H 1 3.770 0.030 . 1 . . . . 54 ILE HA . 11313 1 592 . 1 1 54 54 ILE HB H 1 1.096 0.030 . 1 . . . . 54 ILE HB . 11313 1 593 . 1 1 54 54 ILE HD11 H 1 0.629 0.030 . 1 . . . . 54 ILE HD1 . 11313 1 594 . 1 1 54 54 ILE HD12 H 1 0.629 0.030 . 1 . . . . 54 ILE HD1 . 11313 1 595 . 1 1 54 54 ILE HD13 H 1 0.629 0.030 . 1 . . . . 54 ILE HD1 . 11313 1 596 . 1 1 54 54 ILE HG12 H 1 0.775 0.030 . 2 . . . . 54 ILE HG12 . 11313 1 597 . 1 1 54 54 ILE HG13 H 1 1.706 0.030 . 2 . . . . 54 ILE HG13 . 11313 1 598 . 1 1 54 54 ILE HG21 H 1 0.178 0.030 . 1 . . . . 54 ILE HG2 . 11313 1 599 . 1 1 54 54 ILE HG22 H 1 0.178 0.030 . 1 . . . . 54 ILE HG2 . 11313 1 600 . 1 1 54 54 ILE HG23 H 1 0.178 0.030 . 1 . . . . 54 ILE HG2 . 11313 1 601 . 1 1 54 54 ILE C C 13 177.115 0.300 . 1 . . . . 54 ILE C . 11313 1 602 . 1 1 54 54 ILE CA C 13 63.787 0.300 . 1 . . . . 54 ILE CA . 11313 1 603 . 1 1 54 54 ILE CB C 13 39.383 0.300 . 1 . . . . 54 ILE CB . 11313 1 604 . 1 1 54 54 ILE CD1 C 13 13.075 0.300 . 1 . . . . 54 ILE CD1 . 11313 1 605 . 1 1 54 54 ILE CG1 C 13 29.313 0.300 . 1 . . . . 54 ILE CG1 . 11313 1 606 . 1 1 54 54 ILE CG2 C 13 15.302 0.300 . 1 . . . . 54 ILE CG2 . 11313 1 607 . 1 1 54 54 ILE N N 15 117.151 0.300 . 1 . . . . 54 ILE N . 11313 1 608 . 1 1 55 55 CYS H H 1 7.856 0.030 . 1 . . . . 55 CYS H . 11313 1 609 . 1 1 55 55 CYS HA H 1 4.970 0.030 . 1 . . . . 55 CYS HA . 11313 1 610 . 1 1 55 55 CYS HB2 H 1 2.551 0.030 . 2 . . . . 55 CYS HB2 . 11313 1 611 . 1 1 55 55 CYS HB3 H 1 3.432 0.030 . 2 . . . . 55 CYS HB3 . 11313 1 612 . 1 1 55 55 CYS C C 13 176.243 0.300 . 1 . . . . 55 CYS C . 11313 1 613 . 1 1 55 55 CYS CA C 13 58.727 0.300 . 1 . . . . 55 CYS CA . 11313 1 614 . 1 1 55 55 CYS CB C 13 33.066 0.300 . 1 . . . . 55 CYS CB . 11313 1 615 . 1 1 55 55 CYS N N 15 117.300 0.300 . 1 . . . . 55 CYS N . 11313 1 616 . 1 1 56 56 ASP H H 1 8.362 0.030 . 1 . . . . 56 ASP H . 11313 1 617 . 1 1 56 56 ASP HA H 1 4.618 0.030 . 1 . . . . 56 ASP HA . 11313 1 618 . 1 1 56 56 ASP HB2 H 1 2.558 0.030 . 2 . . . . 56 ASP HB2 . 11313 1 619 . 1 1 56 56 ASP HB3 H 1 3.026 0.030 . 2 . . . . 56 ASP HB3 . 11313 1 620 . 1 1 56 56 ASP C C 13 175.154 0.300 . 1 . . . . 56 ASP C . 11313 1 621 . 1 1 56 56 ASP CA C 13 56.466 0.300 . 1 . . . . 56 ASP CA . 11313 1 622 . 1 1 56 56 ASP CB C 13 42.240 0.300 . 1 . . . . 56 ASP CB . 11313 1 623 . 1 1 56 56 ASP N N 15 121.865 0.300 . 1 . . . . 56 ASP N . 11313 1 624 . 1 1 57 57 GLN H H 1 8.241 0.030 . 1 . . . . 57 GLN H . 11313 1 625 . 1 1 57 57 GLN HA H 1 4.590 0.030 . 1 . . . . 57 GLN HA . 11313 1 626 . 1 1 57 57 GLN HB2 H 1 2.184 0.030 . 2 . . . . 57 GLN HB2 . 11313 1 627 . 1 1 57 57 GLN HB3 H 1 2.053 0.030 . 2 . . . . 57 GLN HB3 . 11313 1 628 . 1 1 57 57 GLN HE21 H 1 7.022 0.030 . 2 . . . . 57 GLN HE21 . 11313 1 629 . 1 1 57 57 GLN HE22 H 1 7.800 0.030 . 2 . . . . 57 GLN HE22 . 11313 1 630 . 1 1 57 57 GLN HG2 H 1 2.565 0.030 . 1 . . . . 57 GLN HG2 . 11313 1 631 . 1 1 57 57 GLN HG3 H 1 2.565 0.030 . 1 . . . . 57 GLN HG3 . 11313 1 632 . 1 1 57 57 GLN C C 13 175.131 0.300 . 1 . . . . 57 GLN C . 11313 1 633 . 1 1 57 57 GLN CA C 13 55.022 0.300 . 1 . . . . 57 GLN CA . 11313 1 634 . 1 1 57 57 GLN CB C 13 28.408 0.300 . 1 . . . . 57 GLN CB . 11313 1 635 . 1 1 57 57 GLN CG C 13 35.311 0.300 . 1 . . . . 57 GLN CG . 11313 1 636 . 1 1 57 57 GLN N N 15 119.805 0.300 . 1 . . . . 57 GLN N . 11313 1 637 . 1 1 57 57 GLN NE2 N 15 114.661 0.300 . 1 . . . . 57 GLN NE2 . 11313 1 638 . 1 1 58 58 PRO HA H 1 4.311 0.030 . 1 . . . . 58 PRO HA . 11313 1 639 . 1 1 58 58 PRO HB2 H 1 1.957 0.030 . 2 . . . . 58 PRO HB2 . 11313 1 640 . 1 1 58 58 PRO HB3 H 1 2.400 0.030 . 2 . . . . 58 PRO HB3 . 11313 1 641 . 1 1 58 58 PRO HD2 H 1 3.687 0.030 . 2 . . . . 58 PRO HD2 . 11313 1 642 . 1 1 58 58 PRO HD3 H 1 3.875 0.030 . 2 . . . . 58 PRO HD3 . 11313 1 643 . 1 1 58 58 PRO HG2 H 1 2.232 0.030 . 2 . . . . 58 PRO HG2 . 11313 1 644 . 1 1 58 58 PRO HG3 H 1 1.936 0.030 . 2 . . . . 58 PRO HG3 . 11313 1 645 . 1 1 58 58 PRO C C 13 178.907 0.300 . 1 . . . . 58 PRO C . 11313 1 646 . 1 1 58 58 PRO CA C 13 64.026 0.300 . 1 . . . . 58 PRO CA . 11313 1 647 . 1 1 58 58 PRO CB C 13 31.785 0.300 . 1 . . . . 58 PRO CB . 11313 1 648 . 1 1 58 58 PRO CD C 13 50.502 0.300 . 1 . . . . 58 PRO CD . 11313 1 649 . 1 1 58 58 PRO CG C 13 28.071 0.300 . 1 . . . . 58 PRO CG . 11313 1 650 . 1 1 59 59 THR H H 1 8.916 0.030 . 1 . . . . 59 THR H . 11313 1 651 . 1 1 59 59 THR HA H 1 4.424 0.030 . 1 . . . . 59 THR HA . 11313 1 652 . 1 1 59 59 THR HB H 1 4.147 0.030 . 1 . . . . 59 THR HB . 11313 1 653 . 1 1 59 59 THR HG21 H 1 1.542 0.030 . 1 . . . . 59 THR HG2 . 11313 1 654 . 1 1 59 59 THR HG22 H 1 1.542 0.030 . 1 . . . . 59 THR HG2 . 11313 1 655 . 1 1 59 59 THR HG23 H 1 1.542 0.030 . 1 . . . . 59 THR HG2 . 11313 1 656 . 1 1 59 59 THR C C 13 178.636 0.300 . 1 . . . . 59 THR C . 11313 1 657 . 1 1 59 59 THR CA C 13 63.209 0.300 . 1 . . . . 59 THR CA . 11313 1 658 . 1 1 59 59 THR CB C 13 71.854 0.300 . 1 . . . . 59 THR CB . 11313 1 659 . 1 1 59 59 THR CG2 C 13 20.533 0.300 . 1 . . . . 59 THR CG2 . 11313 1 660 . 1 1 59 59 THR N N 15 114.899 0.300 . 1 . . . . 59 THR N . 11313 1 661 . 1 1 60 60 GLY H H 1 9.090 0.030 . 1 . . . . 60 GLY H . 11313 1 662 . 1 1 60 60 GLY HA2 H 1 3.886 0.030 . 2 . . . . 60 GLY HA2 . 11313 1 663 . 1 1 60 60 GLY HA3 H 1 3.982 0.030 . 2 . . . . 60 GLY HA3 . 11313 1 664 . 1 1 60 60 GLY C C 13 174.232 0.300 . 1 . . . . 60 GLY C . 11313 1 665 . 1 1 60 60 GLY CA C 13 45.988 0.300 . 1 . . . . 60 GLY CA . 11313 1 666 . 1 1 60 60 GLY N N 15 112.810 0.300 . 1 . . . . 60 GLY N . 11313 1 667 . 1 1 61 61 GLY H H 1 7.863 0.030 . 1 . . . . 61 GLY H . 11313 1 668 . 1 1 61 61 GLY HA2 H 1 2.347 0.030 . 2 . . . . 61 GLY HA2 . 11313 1 669 . 1 1 61 61 GLY HA3 H 1 3.276 0.030 . 2 . . . . 61 GLY HA3 . 11313 1 670 . 1 1 61 61 GLY C C 13 172.433 0.300 . 1 . . . . 61 GLY C . 11313 1 671 . 1 1 61 61 GLY CA C 13 46.090 0.300 . 1 . . . . 61 GLY CA . 11313 1 672 . 1 1 61 61 GLY N N 15 105.659 0.300 . 1 . . . . 61 GLY N . 11313 1 673 . 1 1 62 62 ILE H H 1 6.227 0.030 . 1 . . . . 62 ILE H . 11313 1 674 . 1 1 62 62 ILE HA H 1 3.742 0.030 . 1 . . . . 62 ILE HA . 11313 1 675 . 1 1 62 62 ILE HB H 1 1.699 0.030 . 1 . . . . 62 ILE HB . 11313 1 676 . 1 1 62 62 ILE HD11 H 1 0.694 0.030 . 1 . . . . 62 ILE HD1 . 11313 1 677 . 1 1 62 62 ILE HD12 H 1 0.694 0.030 . 1 . . . . 62 ILE HD1 . 11313 1 678 . 1 1 62 62 ILE HD13 H 1 0.694 0.030 . 1 . . . . 62 ILE HD1 . 11313 1 679 . 1 1 62 62 ILE HG12 H 1 1.031 0.030 . 2 . . . . 62 ILE HG12 . 11313 1 680 . 1 1 62 62 ILE HG13 H 1 1.269 0.030 . 2 . . . . 62 ILE HG13 . 11313 1 681 . 1 1 62 62 ILE HG21 H 1 0.721 0.030 . 1 . . . . 62 ILE HG2 . 11313 1 682 . 1 1 62 62 ILE HG22 H 1 0.721 0.030 . 1 . . . . 62 ILE HG2 . 11313 1 683 . 1 1 62 62 ILE HG23 H 1 0.721 0.030 . 1 . . . . 62 ILE HG2 . 11313 1 684 . 1 1 62 62 ILE C C 13 173.498 0.300 . 1 . . . . 62 ILE C . 11313 1 685 . 1 1 62 62 ILE CA C 13 59.358 0.300 . 1 . . . . 62 ILE CA . 11313 1 686 . 1 1 62 62 ILE CB C 13 37.102 0.300 . 1 . . . . 62 ILE CB . 11313 1 687 . 1 1 62 62 ILE CD1 C 13 11.540 0.300 . 1 . . . . 62 ILE CD1 . 11313 1 688 . 1 1 62 62 ILE CG1 C 13 26.535 0.300 . 1 . . . . 62 ILE CG1 . 11313 1 689 . 1 1 62 62 ILE CG2 C 13 16.963 0.300 . 1 . . . . 62 ILE CG2 . 11313 1 690 . 1 1 62 62 ILE N N 15 118.444 0.300 . 1 . . . . 62 ILE N . 11313 1 691 . 1 1 63 63 PHE H H 1 8.435 0.030 . 1 . . . . 63 PHE H . 11313 1 692 . 1 1 63 63 PHE HA H 1 4.799 0.030 . 1 . . . . 63 PHE HA . 11313 1 693 . 1 1 63 63 PHE HB2 H 1 2.817 0.030 . 2 . . . . 63 PHE HB2 . 11313 1 694 . 1 1 63 63 PHE HB3 H 1 2.626 0.030 . 2 . . . . 63 PHE HB3 . 11313 1 695 . 1 1 63 63 PHE HD1 H 1 6.831 0.030 . 1 . . . . 63 PHE HD1 . 11313 1 696 . 1 1 63 63 PHE HD2 H 1 6.831 0.030 . 1 . . . . 63 PHE HD2 . 11313 1 697 . 1 1 63 63 PHE HE1 H 1 6.644 0.030 . 1 . . . . 63 PHE HE1 . 11313 1 698 . 1 1 63 63 PHE HE2 H 1 6.644 0.030 . 1 . . . . 63 PHE HE2 . 11313 1 699 . 1 1 63 63 PHE HZ H 1 7.095 0.030 . 1 . . . . 63 PHE HZ . 11313 1 700 . 1 1 63 63 PHE C C 13 174.520 0.300 . 1 . . . . 63 PHE C . 11313 1 701 . 1 1 63 63 PHE CA C 13 55.072 0.300 . 1 . . . . 63 PHE CA . 11313 1 702 . 1 1 63 63 PHE CB C 13 39.205 0.300 . 1 . . . . 63 PHE CB . 11313 1 703 . 1 1 63 63 PHE CD1 C 13 132.425 0.300 . 1 . . . . 63 PHE CD1 . 11313 1 704 . 1 1 63 63 PHE CD2 C 13 132.425 0.300 . 1 . . . . 63 PHE CD2 . 11313 1 705 . 1 1 63 63 PHE CE1 C 13 129.712 0.300 . 1 . . . . 63 PHE CE1 . 11313 1 706 . 1 1 63 63 PHE CE2 C 13 129.712 0.300 . 1 . . . . 63 PHE CE2 . 11313 1 707 . 1 1 63 63 PHE CZ C 13 129.678 0.300 . 1 . . . . 63 PHE CZ . 11313 1 708 . 1 1 63 63 PHE N N 15 128.076 0.300 . 1 . . . . 63 PHE N . 11313 1 709 . 1 1 64 64 ASN H H 1 8.188 0.030 . 1 . . . . 64 ASN H . 11313 1 710 . 1 1 64 64 ASN HA H 1 5.169 0.030 . 1 . . . . 64 ASN HA . 11313 1 711 . 1 1 64 64 ASN HB2 H 1 2.511 0.030 . 2 . . . . 64 ASN HB2 . 11313 1 712 . 1 1 64 64 ASN HB3 H 1 2.707 0.030 . 2 . . . . 64 ASN HB3 . 11313 1 713 . 1 1 64 64 ASN HD21 H 1 6.790 0.030 . 2 . . . . 64 ASN HD21 . 11313 1 714 . 1 1 64 64 ASN HD22 H 1 7.592 0.030 . 2 . . . . 64 ASN HD22 . 11313 1 715 . 1 1 64 64 ASN C C 13 172.860 0.300 . 1 . . . . 64 ASN C . 11313 1 716 . 1 1 64 64 ASN CA C 13 51.229 0.300 . 1 . . . . 64 ASN CA . 11313 1 717 . 1 1 64 64 ASN CB C 13 39.240 0.300 . 1 . . . . 64 ASN CB . 11313 1 718 . 1 1 64 64 ASN N N 15 122.127 0.300 . 1 . . . . 64 ASN N . 11313 1 719 . 1 1 64 64 ASN ND2 N 15 113.515 0.300 . 1 . . . . 64 ASN ND2 . 11313 1 720 . 1 1 65 65 PRO HA H 1 4.450 0.030 . 1 . . . . 65 PRO HA . 11313 1 721 . 1 1 65 65 PRO HB2 H 1 1.881 0.030 . 2 . . . . 65 PRO HB2 . 11313 1 722 . 1 1 65 65 PRO HB3 H 1 2.393 0.030 . 2 . . . . 65 PRO HB3 . 11313 1 723 . 1 1 65 65 PRO HD2 H 1 4.028 0.030 . 2 . . . . 65 PRO HD2 . 11313 1 724 . 1 1 65 65 PRO HD3 H 1 3.724 0.030 . 2 . . . . 65 PRO HD3 . 11313 1 725 . 1 1 65 65 PRO HG2 H 1 2.195 0.030 . 2 . . . . 65 PRO HG2 . 11313 1 726 . 1 1 65 65 PRO HG3 H 1 2.101 0.030 . 2 . . . . 65 PRO HG3 . 11313 1 727 . 1 1 65 65 PRO C C 13 177.425 0.300 . 1 . . . . 65 PRO C . 11313 1 728 . 1 1 65 65 PRO CA C 13 64.080 0.300 . 1 . . . . 65 PRO CA . 11313 1 729 . 1 1 65 65 PRO CB C 13 32.179 0.300 . 1 . . . . 65 PRO CB . 11313 1 730 . 1 1 65 65 PRO CD C 13 50.435 0.300 . 1 . . . . 65 PRO CD . 11313 1 731 . 1 1 65 65 PRO CG C 13 28.071 0.300 . 1 . . . . 65 PRO CG . 11313 1 732 . 1 1 66 66 ALA H H 1 8.502 0.030 . 1 . . . . 66 ALA H . 11313 1 733 . 1 1 66 66 ALA HA H 1 4.729 0.030 . 1 . . . . 66 ALA HA . 11313 1 734 . 1 1 66 66 ALA HB1 H 1 1.161 0.030 . 1 . . . . 66 ALA HB . 11313 1 735 . 1 1 66 66 ALA HB2 H 1 1.161 0.030 . 1 . . . . 66 ALA HB . 11313 1 736 . 1 1 66 66 ALA HB3 H 1 1.161 0.030 . 1 . . . . 66 ALA HB . 11313 1 737 . 1 1 66 66 ALA C C 13 176.787 0.300 . 1 . . . . 66 ALA C . 11313 1 738 . 1 1 66 66 ALA CA C 13 50.506 0.300 . 1 . . . . 66 ALA CA . 11313 1 739 . 1 1 66 66 ALA CB C 13 17.717 0.300 . 1 . . . . 66 ALA CB . 11313 1 740 . 1 1 66 66 ALA N N 15 128.826 0.300 . 1 . . . . 66 ALA N . 11313 1 741 . 1 1 67 67 LYS H H 1 7.882 0.030 . 1 . . . . 67 LYS H . 11313 1 742 . 1 1 67 67 LYS HA H 1 3.890 0.030 . 1 . . . . 67 LYS HA . 11313 1 743 . 1 1 67 67 LYS HB2 H 1 1.821 0.030 . 1 . . . . 67 LYS HB2 . 11313 1 744 . 1 1 67 67 LYS HB3 H 1 1.821 0.030 . 1 . . . . 67 LYS HB3 . 11313 1 745 . 1 1 67 67 LYS HD2 H 1 1.697 0.030 . 1 . . . . 67 LYS HD2 . 11313 1 746 . 1 1 67 67 LYS HD3 H 1 1.697 0.030 . 1 . . . . 67 LYS HD3 . 11313 1 747 . 1 1 67 67 LYS HE2 H 1 2.979 0.030 . 1 . . . . 67 LYS HE2 . 11313 1 748 . 1 1 67 67 LYS HE3 H 1 2.979 0.030 . 1 . . . . 67 LYS HE3 . 11313 1 749 . 1 1 67 67 LYS HG2 H 1 1.466 0.030 . 2 . . . . 67 LYS HG2 . 11313 1 750 . 1 1 67 67 LYS HG3 H 1 1.383 0.030 . 2 . . . . 67 LYS HG3 . 11313 1 751 . 1 1 67 67 LYS C C 13 178.837 0.300 . 1 . . . . 67 LYS C . 11313 1 752 . 1 1 67 67 LYS CA C 13 59.861 0.300 . 1 . . . . 67 LYS CA . 11313 1 753 . 1 1 67 67 LYS CB C 13 32.599 0.300 . 1 . . . . 67 LYS CB . 11313 1 754 . 1 1 67 67 LYS CD C 13 29.182 0.300 . 1 . . . . 67 LYS CD . 11313 1 755 . 1 1 67 67 LYS CE C 13 42.025 0.300 . 1 . . . . 67 LYS CE . 11313 1 756 . 1 1 67 67 LYS CG C 13 25.079 0.300 . 1 . . . . 67 LYS CG . 11313 1 757 . 1 1 67 67 LYS N N 15 122.031 0.300 . 1 . . . . 67 LYS N . 11313 1 758 . 1 1 68 68 GLU H H 1 9.098 0.030 . 1 . . . . 68 GLU H . 11313 1 759 . 1 1 68 68 GLU HA H 1 4.117 0.030 . 1 . . . . 68 GLU HA . 11313 1 760 . 1 1 68 68 GLU HB2 H 1 2.002 0.030 . 1 . . . . 68 GLU HB2 . 11313 1 761 . 1 1 68 68 GLU HB3 H 1 2.002 0.030 . 1 . . . . 68 GLU HB3 . 11313 1 762 . 1 1 68 68 GLU HG2 H 1 2.287 0.030 . 2 . . . . 68 GLU HG2 . 11313 1 763 . 1 1 68 68 GLU HG3 H 1 2.222 0.030 . 2 . . . . 68 GLU HG3 . 11313 1 764 . 1 1 68 68 GLU C C 13 178.389 0.300 . 1 . . . . 68 GLU C . 11313 1 765 . 1 1 68 68 GLU CA C 13 58.960 0.300 . 1 . . . . 68 GLU CA . 11313 1 766 . 1 1 68 68 GLU CB C 13 28.612 0.300 . 1 . . . . 68 GLU CB . 11313 1 767 . 1 1 68 68 GLU CG C 13 36.511 0.300 . 1 . . . . 68 GLU CG . 11313 1 768 . 1 1 68 68 GLU N N 15 119.510 0.300 . 1 . . . . 68 GLU N . 11313 1 769 . 1 1 69 69 LEU H H 1 7.537 0.030 . 1 . . . . 69 LEU H . 11313 1 770 . 1 1 69 69 LEU HA H 1 3.966 0.030 . 1 . . . . 69 LEU HA . 11313 1 771 . 1 1 69 69 LEU HB2 H 1 1.260 0.030 . 2 . . . . 69 LEU HB2 . 11313 1 772 . 1 1 69 69 LEU HB3 H 1 1.516 0.030 . 2 . . . . 69 LEU HB3 . 11313 1 773 . 1 1 69 69 LEU HD11 H 1 0.426 0.030 . 1 . . . . 69 LEU HD1 . 11313 1 774 . 1 1 69 69 LEU HD12 H 1 0.426 0.030 . 1 . . . . 69 LEU HD1 . 11313 1 775 . 1 1 69 69 LEU HD13 H 1 0.426 0.030 . 1 . . . . 69 LEU HD1 . 11313 1 776 . 1 1 69 69 LEU HD21 H 1 0.167 0.030 . 1 . . . . 69 LEU HD2 . 11313 1 777 . 1 1 69 69 LEU HD22 H 1 0.167 0.030 . 1 . . . . 69 LEU HD2 . 11313 1 778 . 1 1 69 69 LEU HD23 H 1 0.167 0.030 . 1 . . . . 69 LEU HD2 . 11313 1 779 . 1 1 69 69 LEU HG H 1 1.210 0.030 . 1 . . . . 69 LEU HG . 11313 1 780 . 1 1 69 69 LEU C C 13 178.339 0.300 . 1 . . . . 69 LEU C . 11313 1 781 . 1 1 69 69 LEU CA C 13 57.135 0.300 . 1 . . . . 69 LEU CA . 11313 1 782 . 1 1 69 69 LEU CB C 13 41.925 0.300 . 1 . . . . 69 LEU CB . 11313 1 783 . 1 1 69 69 LEU CD1 C 13 23.867 0.300 . 2 . . . . 69 LEU CD1 . 11313 1 784 . 1 1 69 69 LEU CD2 C 13 24.604 0.300 . 2 . . . . 69 LEU CD2 . 11313 1 785 . 1 1 69 69 LEU CG C 13 26.971 0.300 . 1 . . . . 69 LEU CG . 11313 1 786 . 1 1 69 69 LEU N N 15 121.302 0.300 . 1 . . . . 69 LEU N . 11313 1 787 . 1 1 70 70 MET H H 1 7.954 0.030 . 1 . . . . 70 MET H . 11313 1 788 . 1 1 70 70 MET HA H 1 4.006 0.030 . 1 . . . . 70 MET HA . 11313 1 789 . 1 1 70 70 MET HB2 H 1 1.972 0.030 . 2 . . . . 70 MET HB2 . 11313 1 790 . 1 1 70 70 MET HB3 H 1 2.064 0.030 . 2 . . . . 70 MET HB3 . 11313 1 791 . 1 1 70 70 MET HE1 H 1 1.889 0.030 . 1 . . . . 70 MET HE . 11313 1 792 . 1 1 70 70 MET HE2 H 1 1.889 0.030 . 1 . . . . 70 MET HE . 11313 1 793 . 1 1 70 70 MET HE3 H 1 1.889 0.030 . 1 . . . . 70 MET HE . 11313 1 794 . 1 1 70 70 MET HG2 H 1 2.567 0.030 . 2 . . . . 70 MET HG2 . 11313 1 795 . 1 1 70 70 MET HG3 H 1 2.408 0.030 . 2 . . . . 70 MET HG3 . 11313 1 796 . 1 1 70 70 MET C C 13 177.886 0.300 . 1 . . . . 70 MET C . 11313 1 797 . 1 1 70 70 MET CA C 13 58.081 0.300 . 1 . . . . 70 MET CA . 11313 1 798 . 1 1 70 70 MET CB C 13 32.471 0.300 . 1 . . . . 70 MET CB . 11313 1 799 . 1 1 70 70 MET CE C 13 17.067 0.300 . 1 . . . . 70 MET CE . 11313 1 800 . 1 1 70 70 MET CG C 13 32.472 0.300 . 1 . . . . 70 MET CG . 11313 1 801 . 1 1 70 70 MET N N 15 116.458 0.300 . 1 . . . . 70 MET N . 11313 1 802 . 1 1 71 71 ALA H H 1 7.703 0.030 . 1 . . . . 71 ALA H . 11313 1 803 . 1 1 71 71 ALA HA H 1 4.156 0.030 . 1 . . . . 71 ALA HA . 11313 1 804 . 1 1 71 71 ALA HB1 H 1 1.419 0.030 . 1 . . . . 71 ALA HB . 11313 1 805 . 1 1 71 71 ALA HB2 H 1 1.419 0.030 . 1 . . . . 71 ALA HB . 11313 1 806 . 1 1 71 71 ALA HB3 H 1 1.419 0.030 . 1 . . . . 71 ALA HB . 11313 1 807 . 1 1 71 71 ALA C C 13 179.543 0.300 . 1 . . . . 71 ALA C . 11313 1 808 . 1 1 71 71 ALA CA C 13 54.253 0.300 . 1 . . . . 71 ALA CA . 11313 1 809 . 1 1 71 71 ALA CB C 13 18.255 0.300 . 1 . . . . 71 ALA CB . 11313 1 810 . 1 1 71 71 ALA N N 15 120.876 0.300 . 1 . . . . 71 ALA N . 11313 1 811 . 1 1 72 72 LYS H H 1 7.700 0.030 . 1 . . . . 72 LYS H . 11313 1 812 . 1 1 72 72 LYS HA H 1 4.129 0.030 . 1 . . . . 72 LYS HA . 11313 1 813 . 1 1 72 72 LYS HB2 H 1 1.864 0.030 . 1 . . . . 72 LYS HB2 . 11313 1 814 . 1 1 72 72 LYS HB3 H 1 1.864 0.030 . 1 . . . . 72 LYS HB3 . 11313 1 815 . 1 1 72 72 LYS HD2 H 1 1.607 0.030 . 1 . . . . 72 LYS HD2 . 11313 1 816 . 1 1 72 72 LYS HD3 H 1 1.607 0.030 . 1 . . . . 72 LYS HD3 . 11313 1 817 . 1 1 72 72 LYS HE2 H 1 2.908 0.030 . 1 . . . . 72 LYS HE2 . 11313 1 818 . 1 1 72 72 LYS HE3 H 1 2.908 0.030 . 1 . . . . 72 LYS HE3 . 11313 1 819 . 1 1 72 72 LYS HG2 H 1 1.527 0.030 . 2 . . . . 72 LYS HG2 . 11313 1 820 . 1 1 72 72 LYS HG3 H 1 1.400 0.030 . 2 . . . . 72 LYS HG3 . 11313 1 821 . 1 1 72 72 LYS C C 13 178.295 0.300 . 1 . . . . 72 LYS C . 11313 1 822 . 1 1 72 72 LYS CA C 13 57.943 0.300 . 1 . . . . 72 LYS CA . 11313 1 823 . 1 1 72 72 LYS CB C 13 32.750 0.300 . 1 . . . . 72 LYS CB . 11313 1 824 . 1 1 72 72 LYS CD C 13 29.296 0.300 . 1 . . . . 72 LYS CD . 11313 1 825 . 1 1 72 72 LYS CE C 13 42.139 0.300 . 1 . . . . 72 LYS CE . 11313 1 826 . 1 1 72 72 LYS CG C 13 25.209 0.300 . 1 . . . . 72 LYS CG . 11313 1 827 . 1 1 72 72 LYS N N 15 118.206 0.300 . 1 . . . . 72 LYS N . 11313 1 828 . 1 1 73 73 LEU H H 1 7.989 0.030 . 1 . . . . 73 LEU H . 11313 1 829 . 1 1 73 73 LEU HA H 1 4.174 0.030 . 1 . . . . 73 LEU HA . 11313 1 830 . 1 1 73 73 LEU HB2 H 1 1.742 0.030 . 2 . . . . 73 LEU HB2 . 11313 1 831 . 1 1 73 73 LEU HB3 H 1 1.540 0.030 . 2 . . . . 73 LEU HB3 . 11313 1 832 . 1 1 73 73 LEU HD11 H 1 0.874 0.030 . 1 . . . . 73 LEU HD1 . 11313 1 833 . 1 1 73 73 LEU HD12 H 1 0.874 0.030 . 1 . . . . 73 LEU HD1 . 11313 1 834 . 1 1 73 73 LEU HD13 H 1 0.874 0.030 . 1 . . . . 73 LEU HD1 . 11313 1 835 . 1 1 73 73 LEU HD21 H 1 0.826 0.030 . 1 . . . . 73 LEU HD2 . 11313 1 836 . 1 1 73 73 LEU HD22 H 1 0.826 0.030 . 1 . . . . 73 LEU HD2 . 11313 1 837 . 1 1 73 73 LEU HD23 H 1 0.826 0.030 . 1 . . . . 73 LEU HD2 . 11313 1 838 . 1 1 73 73 LEU HG H 1 1.699 0.030 . 1 . . . . 73 LEU HG . 11313 1 839 . 1 1 73 73 LEU C C 13 178.310 0.300 . 1 . . . . 73 LEU C . 11313 1 840 . 1 1 73 73 LEU CA C 13 56.115 0.300 . 1 . . . . 73 LEU CA . 11313 1 841 . 1 1 73 73 LEU CB C 13 42.102 0.300 . 1 . . . . 73 LEU CB . 11313 1 842 . 1 1 73 73 LEU CD1 C 13 25.498 0.300 . 2 . . . . 73 LEU CD1 . 11313 1 843 . 1 1 73 73 LEU CD2 C 13 22.865 0.300 . 2 . . . . 73 LEU CD2 . 11313 1 844 . 1 1 73 73 LEU CG C 13 26.870 0.300 . 1 . . . . 73 LEU CG . 11313 1 845 . 1 1 73 73 LEU N N 15 119.938 0.300 . 1 . . . . 73 LEU N . 11313 1 846 . 1 1 74 74 GLN H H 1 7.895 0.030 . 1 . . . . 74 GLN H . 11313 1 847 . 1 1 74 74 GLN HA H 1 4.214 0.030 . 1 . . . . 74 GLN HA . 11313 1 848 . 1 1 74 74 GLN HB2 H 1 2.040 0.030 . 2 . . . . 74 GLN HB2 . 11313 1 849 . 1 1 74 74 GLN HB3 H 1 2.104 0.030 . 2 . . . . 74 GLN HB3 . 11313 1 850 . 1 1 74 74 GLN HE21 H 1 6.824 0.030 . 2 . . . . 74 GLN HE21 . 11313 1 851 . 1 1 74 74 GLN HE22 H 1 7.445 0.030 . 2 . . . . 74 GLN HE22 . 11313 1 852 . 1 1 74 74 GLN HG2 H 1 2.370 0.030 . 2 . . . . 74 GLN HG2 . 11313 1 853 . 1 1 74 74 GLN HG3 H 1 2.412 0.030 . 2 . . . . 74 GLN HG3 . 11313 1 854 . 1 1 74 74 GLN C C 13 176.330 0.300 . 1 . . . . 74 GLN C . 11313 1 855 . 1 1 74 74 GLN CA C 13 56.463 0.300 . 1 . . . . 74 GLN CA . 11313 1 856 . 1 1 74 74 GLN CB C 13 29.013 0.300 . 1 . . . . 74 GLN CB . 11313 1 857 . 1 1 74 74 GLN CG C 13 33.845 0.300 . 1 . . . . 74 GLN CG . 11313 1 858 . 1 1 74 74 GLN N N 15 118.787 0.300 . 1 . . . . 74 GLN N . 11313 1 859 . 1 1 74 74 GLN NE2 N 15 112.021 0.300 . 1 . . . . 74 GLN NE2 . 11313 1 860 . 1 1 75 75 LYS H H 1 7.992 0.030 . 1 . . . . 75 LYS H . 11313 1 861 . 1 1 75 75 LYS HA H 1 4.321 0.030 . 1 . . . . 75 LYS HA . 11313 1 862 . 1 1 75 75 LYS HB2 H 1 1.884 0.030 . 2 . . . . 75 LYS HB2 . 11313 1 863 . 1 1 75 75 LYS HB3 H 1 1.796 0.030 . 2 . . . . 75 LYS HB3 . 11313 1 864 . 1 1 75 75 LYS HD2 H 1 1.660 0.030 . 1 . . . . 75 LYS HD2 . 11313 1 865 . 1 1 75 75 LYS HD3 H 1 1.660 0.030 . 1 . . . . 75 LYS HD3 . 11313 1 866 . 1 1 75 75 LYS HE2 H 1 2.908 0.030 . 1 . . . . 75 LYS HE2 . 11313 1 867 . 1 1 75 75 LYS HE3 H 1 2.908 0.030 . 1 . . . . 75 LYS HE3 . 11313 1 868 . 1 1 75 75 LYS HG2 H 1 1.469 0.030 . 2 . . . . 75 LYS HG2 . 11313 1 869 . 1 1 75 75 LYS HG3 H 1 1.433 0.030 . 2 . . . . 75 LYS HG3 . 11313 1 870 . 1 1 75 75 LYS C C 13 176.720 0.300 . 1 . . . . 75 LYS C . 11313 1 871 . 1 1 75 75 LYS CA C 13 56.564 0.300 . 1 . . . . 75 LYS CA . 11313 1 872 . 1 1 75 75 LYS CB C 13 32.776 0.300 . 1 . . . . 75 LYS CB . 11313 1 873 . 1 1 75 75 LYS CD C 13 29.047 0.300 . 1 . . . . 75 LYS CD . 11313 1 874 . 1 1 75 75 LYS CE C 13 42.140 0.300 . 1 . . . . 75 LYS CE . 11313 1 875 . 1 1 75 75 LYS CG C 13 24.790 0.300 . 1 . . . . 75 LYS CG . 11313 1 876 . 1 1 75 75 LYS N N 15 121.079 0.300 . 1 . . . . 75 LYS N . 11313 1 877 . 1 1 76 76 SER H H 1 8.199 0.030 . 1 . . . . 76 SER H . 11313 1 878 . 1 1 76 76 SER HA H 1 4.497 0.030 . 1 . . . . 76 SER HA . 11313 1 879 . 1 1 76 76 SER HB2 H 1 3.897 0.030 . 1 . . . . 76 SER HB2 . 11313 1 880 . 1 1 76 76 SER HB3 H 1 3.897 0.030 . 1 . . . . 76 SER HB3 . 11313 1 881 . 1 1 76 76 SER C C 13 174.548 0.300 . 1 . . . . 76 SER C . 11313 1 882 . 1 1 76 76 SER CA C 13 58.369 0.300 . 1 . . . . 76 SER CA . 11313 1 883 . 1 1 76 76 SER CB C 13 64.038 0.300 . 1 . . . . 76 SER CB . 11313 1 884 . 1 1 76 76 SER N N 15 116.248 0.300 . 1 . . . . 76 SER N . 11313 1 885 . 1 1 77 77 GLY H H 1 8.187 0.030 . 1 . . . . 77 GLY H . 11313 1 886 . 1 1 77 77 GLY HA2 H 1 4.060 0.030 . 2 . . . . 77 GLY HA2 . 11313 1 887 . 1 1 77 77 GLY HA3 H 1 4.135 0.030 . 2 . . . . 77 GLY HA3 . 11313 1 888 . 1 1 77 77 GLY C C 13 171.811 0.300 . 1 . . . . 77 GLY C . 11313 1 889 . 1 1 77 77 GLY CA C 13 44.716 0.300 . 1 . . . . 77 GLY CA . 11313 1 890 . 1 1 77 77 GLY N N 15 110.520 0.300 . 1 . . . . 77 GLY N . 11313 1 891 . 1 1 78 78 PRO HA H 1 4.441 0.030 . 1 . . . . 78 PRO HA . 11313 1 892 . 1 1 78 78 PRO HB2 H 1 1.943 0.030 . 2 . . . . 78 PRO HB2 . 11313 1 893 . 1 1 78 78 PRO HB3 H 1 2.253 0.030 . 2 . . . . 78 PRO HB3 . 11313 1 894 . 1 1 78 78 PRO HD2 H 1 3.588 0.030 . 1 . . . . 78 PRO HD2 . 11313 1 895 . 1 1 78 78 PRO HD3 H 1 3.588 0.030 . 1 . . . . 78 PRO HD3 . 11313 1 896 . 1 1 78 78 PRO HG2 H 1 1.977 0.030 . 1 . . . . 78 PRO HG2 . 11313 1 897 . 1 1 78 78 PRO HG3 H 1 1.977 0.030 . 1 . . . . 78 PRO HG3 . 11313 1 898 . 1 1 78 78 PRO CA C 13 63.293 0.300 . 1 . . . . 78 PRO CA . 11313 1 899 . 1 1 78 78 PRO CB C 13 32.382 0.300 . 1 . . . . 78 PRO CB . 11313 1 900 . 1 1 78 78 PRO CD C 13 49.770 0.300 . 1 . . . . 78 PRO CD . 11313 1 901 . 1 1 78 78 PRO CG C 13 27.066 0.300 . 1 . . . . 78 PRO CG . 11313 1 stop_ save_