data_10093 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10093 _Entry.Title ; Solution structure of the second CUT domain of human Homeobox protein Cux-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-24 _Entry.Accession_date 2007-01-24 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 N. Nameki . . . 10093 2 N. Tochio . . . 10093 3 S. Koshiba . . . 10093 4 T. Kigawa . . . 10093 5 S. Yokoyama . . . 10093 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10093 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10093 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 432 10093 '15N chemical shifts' 108 10093 '1H chemical shifts' 693 10093 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 . . 2008-08-14 2007-01-24 original author . 10093 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WH6 'BMRB Entry Tracking System' 10093 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10093 _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 second CUT domain of human Homeobox protein Cux-2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Nameki . . . 10093 1 2 N. Tochio . . . 10093 1 3 S. Koshiba . . . 10093 1 4 T. Kigawa . . . 10093 1 5 S. Yokoyama . . . 10093 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10093 _Assembly.ID 1 _Assembly.Name 'Homeobox protein Cux-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10093 1 stop_ 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 'Homeobox protein Cux-2' 1 $entity_1 . . yes native no no . . . 10093 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 . PDB 1WH6 . . . . . . 10093 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10093 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CUT domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGQYELYMYREVDTL ELTRQVKEKLAKNGICQRIF GEKVLGLSQGSVSDMLSRPK PWSKLTQKGREPFIRMQLWL SDQLGQAVGQQPGASSGPSS 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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1WH6 . "Solution Structure Of The Second Cut Domain Of Human Homeobox Protein Cux-2" . . . . . 100.00 101 100.00 100.00 1.06e-64 . . . . 10093 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CUT domain' . 10093 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 . 10093 1 2 . SER . 10093 1 3 . SER . 10093 1 4 . GLY . 10093 1 5 . SER . 10093 1 6 . SER . 10093 1 7 . GLY . 10093 1 8 . GLN . 10093 1 9 . TYR . 10093 1 10 . GLU . 10093 1 11 . LEU . 10093 1 12 . TYR . 10093 1 13 . MET . 10093 1 14 . TYR . 10093 1 15 . ARG . 10093 1 16 . GLU . 10093 1 17 . VAL . 10093 1 18 . ASP . 10093 1 19 . THR . 10093 1 20 . LEU . 10093 1 21 . GLU . 10093 1 22 . LEU . 10093 1 23 . THR . 10093 1 24 . ARG . 10093 1 25 . GLN . 10093 1 26 . VAL . 10093 1 27 . LYS . 10093 1 28 . GLU . 10093 1 29 . LYS . 10093 1 30 . LEU . 10093 1 31 . ALA . 10093 1 32 . LYS . 10093 1 33 . ASN . 10093 1 34 . GLY . 10093 1 35 . ILE . 10093 1 36 . CYS . 10093 1 37 . GLN . 10093 1 38 . ARG . 10093 1 39 . ILE . 10093 1 40 . PHE . 10093 1 41 . GLY . 10093 1 42 . GLU . 10093 1 43 . LYS . 10093 1 44 . VAL . 10093 1 45 . LEU . 10093 1 46 . GLY . 10093 1 47 . LEU . 10093 1 48 . SER . 10093 1 49 . GLN . 10093 1 50 . GLY . 10093 1 51 . SER . 10093 1 52 . VAL . 10093 1 53 . SER . 10093 1 54 . ASP . 10093 1 55 . MET . 10093 1 56 . LEU . 10093 1 57 . SER . 10093 1 58 . ARG . 10093 1 59 . PRO . 10093 1 60 . LYS . 10093 1 61 . PRO . 10093 1 62 . TRP . 10093 1 63 . SER . 10093 1 64 . LYS . 10093 1 65 . LEU . 10093 1 66 . THR . 10093 1 67 . GLN . 10093 1 68 . LYS . 10093 1 69 . GLY . 10093 1 70 . ARG . 10093 1 71 . GLU . 10093 1 72 . PRO . 10093 1 73 . PHE . 10093 1 74 . ILE . 10093 1 75 . ARG . 10093 1 76 . MET . 10093 1 77 . GLN . 10093 1 78 . LEU . 10093 1 79 . TRP . 10093 1 80 . LEU . 10093 1 81 . SER . 10093 1 82 . ASP . 10093 1 83 . GLN . 10093 1 84 . LEU . 10093 1 85 . GLY . 10093 1 86 . GLN . 10093 1 87 . ALA . 10093 1 88 . VAL . 10093 1 89 . GLY . 10093 1 90 . GLN . 10093 1 91 . GLN . 10093 1 92 . PRO . 10093 1 93 . GLY . 10093 1 94 . ALA . 10093 1 95 . SER . 10093 1 96 . SER . 10093 1 97 . GLY . 10093 1 98 . PRO . 10093 1 99 . SER . 10093 1 100 . SER . 10093 1 101 . GLY . 10093 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 10093 1 . SER 2 2 10093 1 . SER 3 3 10093 1 . GLY 4 4 10093 1 . SER 5 5 10093 1 . SER 6 6 10093 1 . GLY 7 7 10093 1 . GLN 8 8 10093 1 . TYR 9 9 10093 1 . GLU 10 10 10093 1 . LEU 11 11 10093 1 . TYR 12 12 10093 1 . MET 13 13 10093 1 . TYR 14 14 10093 1 . ARG 15 15 10093 1 . GLU 16 16 10093 1 . VAL 17 17 10093 1 . ASP 18 18 10093 1 . THR 19 19 10093 1 . LEU 20 20 10093 1 . GLU 21 21 10093 1 . LEU 22 22 10093 1 . THR 23 23 10093 1 . ARG 24 24 10093 1 . GLN 25 25 10093 1 . VAL 26 26 10093 1 . LYS 27 27 10093 1 . GLU 28 28 10093 1 . LYS 29 29 10093 1 . LEU 30 30 10093 1 . ALA 31 31 10093 1 . LYS 32 32 10093 1 . ASN 33 33 10093 1 . GLY 34 34 10093 1 . ILE 35 35 10093 1 . CYS 36 36 10093 1 . GLN 37 37 10093 1 . ARG 38 38 10093 1 . ILE 39 39 10093 1 . PHE 40 40 10093 1 . GLY 41 41 10093 1 . GLU 42 42 10093 1 . LYS 43 43 10093 1 . VAL 44 44 10093 1 . LEU 45 45 10093 1 . GLY 46 46 10093 1 . LEU 47 47 10093 1 . SER 48 48 10093 1 . GLN 49 49 10093 1 . GLY 50 50 10093 1 . SER 51 51 10093 1 . VAL 52 52 10093 1 . SER 53 53 10093 1 . ASP 54 54 10093 1 . MET 55 55 10093 1 . LEU 56 56 10093 1 . SER 57 57 10093 1 . ARG 58 58 10093 1 . PRO 59 59 10093 1 . LYS 60 60 10093 1 . PRO 61 61 10093 1 . TRP 62 62 10093 1 . SER 63 63 10093 1 . LYS 64 64 10093 1 . LEU 65 65 10093 1 . THR 66 66 10093 1 . GLN 67 67 10093 1 . LYS 68 68 10093 1 . GLY 69 69 10093 1 . ARG 70 70 10093 1 . GLU 71 71 10093 1 . PRO 72 72 10093 1 . PHE 73 73 10093 1 . ILE 74 74 10093 1 . ARG 75 75 10093 1 . MET 76 76 10093 1 . GLN 77 77 10093 1 . LEU 78 78 10093 1 . TRP 79 79 10093 1 . LEU 80 80 10093 1 . SER 81 81 10093 1 . ASP 82 82 10093 1 . GLN 83 83 10093 1 . LEU 84 84 10093 1 . GLY 85 85 10093 1 . GLN 86 86 10093 1 . ALA 87 87 10093 1 . VAL 88 88 10093 1 . GLY 89 89 10093 1 . GLN 90 90 10093 1 . GLN 91 91 10093 1 . PRO 92 92 10093 1 . GLY 93 93 10093 1 . ALA 94 94 10093 1 . SER 95 95 10093 1 . SER 96 96 10093 1 . GLY 97 97 10093 1 . PRO 98 98 10093 1 . SER 99 99 10093 1 . SER 100 100 10093 1 . GLY 101 101 10093 1 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 10093 _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 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10093 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 10093 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P040114-61 . . . . . . 10093 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10093 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CUT domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 10093 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10093 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10093 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10093 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10093 1 6 H2O . . . . . . solvent 90 . . % . . . . 10093 1 7 D2O . . . . . . solvent 10 . . % . . . . 10093 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 10093 _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 10093 1 pH 6.0 0.05 pH 10093 1 pressure 1 0.001 atm 10093 1 temperature 296 0.1 K 10093 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10093 _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 . . 10093 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10093 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10093 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10093 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10093 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10093 _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.' . . 10093 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10093 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10093 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10093 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10093 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10093 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10093 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10093 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10093 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Billeter, M.' . . 10093 6 'Guntert, P.' . . 10093 6 'Koradi, R.' . . 10093 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10093 6 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 10093 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10093 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10093 1 2 '3D 13C-separated_NOESY' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10093 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10093 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10093 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10093 _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 . . . . . . . . . 10093 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10093 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10093 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 10093 _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 10093 1 2 '3D 13C-separated_NOESY' 1 $sample_1 isotropic 10093 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 1 1 GLY HA2 H 1 4.011 0.030 . 1 . . . . 1 GLY HA2 . 10093 1 2 . 1 1 1 1 GLY HA3 H 1 4.011 0.030 . 1 . . . . 1 GLY HA3 . 10093 1 3 . 1 1 1 1 GLY C C 13 173.972 0.300 . 1 . . . . 1 GLY C . 10093 1 4 . 1 1 1 1 GLY CA C 13 45.441 0.300 . 1 . . . . 1 GLY CA . 10093 1 5 . 1 1 2 2 SER H H 1 8.297 0.030 . 1 . . . . 2 SER H . 10093 1 6 . 1 1 2 2 SER HA H 1 4.515 0.030 . 1 . . . . 2 SER HA . 10093 1 7 . 1 1 2 2 SER HB2 H 1 3.897 0.030 . 1 . . . . 2 SER HB2 . 10093 1 8 . 1 1 2 2 SER HB3 H 1 3.897 0.030 . 1 . . . . 2 SER HB3 . 10093 1 9 . 1 1 2 2 SER C C 13 174.645 0.300 . 1 . . . . 2 SER C . 10093 1 10 . 1 1 2 2 SER CA C 13 58.423 0.300 . 1 . . . . 2 SER CA . 10093 1 11 . 1 1 2 2 SER CB C 13 64.007 0.300 . 1 . . . . 2 SER CB . 10093 1 12 . 1 1 2 2 SER N N 15 115.837 0.300 . 1 . . . . 2 SER N . 10093 1 13 . 1 1 3 3 SER H H 1 8.338 0.030 . 1 . . . . 3 SER H . 10093 1 14 . 1 1 3 3 SER HA H 1 4.492 0.030 . 1 . . . . 3 SER HA . 10093 1 15 . 1 1 3 3 SER HB2 H 1 3.885 0.030 . 1 . . . . 3 SER HB2 . 10093 1 16 . 1 1 3 3 SER HB3 H 1 3.885 0.030 . 1 . . . . 3 SER HB3 . 10093 1 17 . 1 1 3 3 SER C C 13 173.989 0.300 . 1 . . . . 3 SER C . 10093 1 18 . 1 1 3 3 SER CA C 13 58.455 0.300 . 1 . . . . 3 SER CA . 10093 1 19 . 1 1 3 3 SER CB C 13 64.131 0.300 . 1 . . . . 3 SER CB . 10093 1 20 . 1 1 3 3 SER N N 15 117.869 0.300 . 1 . . . . 3 SER N . 10093 1 21 . 1 1 4 4 GLY H H 1 8.054 0.030 . 1 . . . . 4 GLY H . 10093 1 22 . 1 1 4 4 GLY HA2 H 1 3.763 0.030 . 1 . . . . 4 GLY HA2 . 10093 1 23 . 1 1 4 4 GLY HA3 H 1 3.763 0.030 . 1 . . . . 4 GLY HA3 . 10093 1 24 . 1 1 4 4 GLY C C 13 179.004 0.300 . 1 . . . . 4 GLY C . 10093 1 25 . 1 1 4 4 GLY CA C 13 46.417 0.300 . 1 . . . . 4 GLY CA . 10093 1 26 . 1 1 4 4 GLY N N 15 116.875 0.300 . 1 . . . . 4 GLY N . 10093 1 27 . 1 1 6 6 SER HA H 1 4.460 0.030 . 1 . . . . 6 SER HA . 10093 1 28 . 1 1 6 6 SER HB2 H 1 3.908 0.030 . 1 . . . . 6 SER HB2 . 10093 1 29 . 1 1 6 6 SER HB3 H 1 3.908 0.030 . 1 . . . . 6 SER HB3 . 10093 1 30 . 1 1 6 6 SER C C 13 175.022 0.300 . 1 . . . . 6 SER C . 10093 1 31 . 1 1 6 6 SER CA C 13 58.885 0.300 . 1 . . . . 6 SER CA . 10093 1 32 . 1 1 6 6 SER CB C 13 63.719 0.300 . 1 . . . . 6 SER CB . 10093 1 33 . 1 1 7 7 GLY H H 1 8.484 0.030 . 1 . . . . 7 GLY H . 10093 1 34 . 1 1 7 7 GLY HA2 H 1 3.977 0.030 . 1 . . . . 7 GLY HA2 . 10093 1 35 . 1 1 7 7 GLY HA3 H 1 3.977 0.030 . 1 . . . . 7 GLY HA3 . 10093 1 36 . 1 1 7 7 GLY C C 13 173.989 0.300 . 1 . . . . 7 GLY C . 10093 1 37 . 1 1 7 7 GLY CA C 13 45.533 0.300 . 1 . . . . 7 GLY CA . 10093 1 38 . 1 1 7 7 GLY N N 15 110.929 0.300 . 1 . . . . 7 GLY N . 10093 1 39 . 1 1 8 8 GLN H H 1 8.202 0.030 . 1 . . . . 8 GLN H . 10093 1 40 . 1 1 8 8 GLN HA H 1 4.205 0.030 . 1 . . . . 8 GLN HA . 10093 1 41 . 1 1 8 8 GLN HB2 H 1 1.937 0.030 . 1 . . . . 8 GLN HB2 . 10093 1 42 . 1 1 8 8 GLN HB3 H 1 1.937 0.030 . 1 . . . . 8 GLN HB3 . 10093 1 43 . 1 1 8 8 GLN HG2 H 1 2.162 0.030 . 1 . . . . 8 GLN HG2 . 10093 1 44 . 1 1 8 8 GLN HG3 H 1 2.162 0.030 . 1 . . . . 8 GLN HG3 . 10093 1 45 . 1 1 8 8 GLN HE21 H 1 7.429 0.030 . 2 . . . . 8 GLN HE21 . 10093 1 46 . 1 1 8 8 GLN HE22 H 1 6.835 0.030 . 2 . . . . 8 GLN HE22 . 10093 1 47 . 1 1 8 8 GLN C C 13 176.188 0.300 . 1 . . . . 8 GLN C . 10093 1 48 . 1 1 8 8 GLN CA C 13 56.744 0.300 . 1 . . . . 8 GLN CA . 10093 1 49 . 1 1 8 8 GLN CB C 13 29.257 0.300 . 1 . . . . 8 GLN CB . 10093 1 50 . 1 1 8 8 GLN CG C 13 33.913 0.300 . 1 . . . . 8 GLN CG . 10093 1 51 . 1 1 8 8 GLN N N 15 119.806 0.300 . 1 . . . . 8 GLN N . 10093 1 52 . 1 1 8 8 GLN NE2 N 15 112.091 0.300 . 1 . . . . 8 GLN NE2 . 10093 1 53 . 1 1 9 9 TYR H H 1 8.220 0.030 . 1 . . . . 9 TYR H . 10093 1 54 . 1 1 9 9 TYR HA H 1 4.515 0.030 . 1 . . . . 9 TYR HA . 10093 1 55 . 1 1 9 9 TYR HB2 H 1 2.956 0.030 . 2 . . . . 9 TYR HB2 . 10093 1 56 . 1 1 9 9 TYR HB3 H 1 3.123 0.030 . 2 . . . . 9 TYR HB3 . 10093 1 57 . 1 1 9 9 TYR HD1 H 1 7.049 0.030 . 1 . . . . 9 TYR HD1 . 10093 1 58 . 1 1 9 9 TYR HD2 H 1 7.049 0.030 . 1 . . . . 9 TYR HD2 . 10093 1 59 . 1 1 9 9 TYR HE1 H 1 6.760 0.030 . 1 . . . . 9 TYR HE1 . 10093 1 60 . 1 1 9 9 TYR HE2 H 1 6.760 0.030 . 1 . . . . 9 TYR HE2 . 10093 1 61 . 1 1 9 9 TYR C C 13 176.110 0.300 . 1 . . . . 9 TYR C . 10093 1 62 . 1 1 9 9 TYR CA C 13 58.611 0.300 . 1 . . . . 9 TYR CA . 10093 1 63 . 1 1 9 9 TYR CB C 13 38.549 0.300 . 1 . . . . 9 TYR CB . 10093 1 64 . 1 1 9 9 TYR CD1 C 13 133.036 0.300 . 1 . . . . 9 TYR CD1 . 10093 1 65 . 1 1 9 9 TYR CD2 C 13 133.036 0.300 . 1 . . . . 9 TYR CD2 . 10093 1 66 . 1 1 9 9 TYR CE1 C 13 118.145 0.300 . 1 . . . . 9 TYR CE1 . 10093 1 67 . 1 1 9 9 TYR CE2 C 13 118.145 0.300 . 1 . . . . 9 TYR CE2 . 10093 1 68 . 1 1 9 9 TYR N N 15 119.707 0.300 . 1 . . . . 9 TYR N . 10093 1 69 . 1 1 10 10 GLU H H 1 8.325 0.030 . 1 . . . . 10 GLU H . 10093 1 70 . 1 1 10 10 GLU HA H 1 4.112 0.030 . 1 . . . . 10 GLU HA . 10093 1 71 . 1 1 10 10 GLU HB2 H 1 1.939 0.030 . 2 . . . . 10 GLU HB2 . 10093 1 72 . 1 1 10 10 GLU HB3 H 1 2.010 0.030 . 2 . . . . 10 GLU HB3 . 10093 1 73 . 1 1 10 10 GLU HG2 H 1 2.304 0.030 . 1 . . . . 10 GLU HG2 . 10093 1 74 . 1 1 10 10 GLU HG3 H 1 2.304 0.030 . 1 . . . . 10 GLU HG3 . 10093 1 75 . 1 1 10 10 GLU C C 13 177.244 0.300 . 1 . . . . 10 GLU C . 10093 1 76 . 1 1 10 10 GLU CA C 13 58.037 0.300 . 1 . . . . 10 GLU CA . 10093 1 77 . 1 1 10 10 GLU CB C 13 29.942 0.300 . 1 . . . . 10 GLU CB . 10093 1 78 . 1 1 10 10 GLU CG C 13 36.482 0.300 . 1 . . . . 10 GLU CG . 10093 1 79 . 1 1 10 10 GLU N N 15 120.707 0.300 . 1 . . . . 10 GLU N . 10093 1 80 . 1 1 11 11 LEU H H 1 7.992 0.030 . 1 . . . . 11 LEU H . 10093 1 81 . 1 1 11 11 LEU HA H 1 4.156 0.030 . 1 . . . . 11 LEU HA . 10093 1 82 . 1 1 11 11 LEU HB2 H 1 1.381 0.030 . 2 . . . . 11 LEU HB2 . 10093 1 83 . 1 1 11 11 LEU HB3 H 1 1.567 0.030 . 2 . . . . 11 LEU HB3 . 10093 1 84 . 1 1 11 11 LEU HG H 1 1.531 0.030 . 1 . . . . 11 LEU HG . 10093 1 85 . 1 1 11 11 LEU HD11 H 1 0.869 0.030 . 1 . . . . 11 LEU HD1 . 10093 1 86 . 1 1 11 11 LEU HD12 H 1 0.869 0.030 . 1 . . . . 11 LEU HD1 . 10093 1 87 . 1 1 11 11 LEU HD13 H 1 0.869 0.030 . 1 . . . . 11 LEU HD1 . 10093 1 88 . 1 1 11 11 LEU HD21 H 1 0.805 0.030 . 1 . . . . 11 LEU HD2 . 10093 1 89 . 1 1 11 11 LEU HD22 H 1 0.805 0.030 . 1 . . . . 11 LEU HD2 . 10093 1 90 . 1 1 11 11 LEU HD23 H 1 0.805 0.030 . 1 . . . . 11 LEU HD2 . 10093 1 91 . 1 1 11 11 LEU C C 13 177.998 0.300 . 1 . . . . 11 LEU C . 10093 1 92 . 1 1 11 11 LEU CA C 13 56.428 0.300 . 1 . . . . 11 LEU CA . 10093 1 93 . 1 1 11 11 LEU CB C 13 42.092 0.300 . 1 . . . . 11 LEU CB . 10093 1 94 . 1 1 11 11 LEU CG C 13 27.052 0.300 . 1 . . . . 11 LEU CG . 10093 1 95 . 1 1 11 11 LEU CD1 C 13 24.737 0.300 . 2 . . . . 11 LEU CD1 . 10093 1 96 . 1 1 11 11 LEU CD2 C 13 23.911 0.300 . 2 . . . . 11 LEU CD2 . 10093 1 97 . 1 1 11 11 LEU N N 15 120.126 0.300 . 1 . . . . 11 LEU N . 10093 1 98 . 1 1 12 12 TYR H H 1 7.879 0.030 . 1 . . . . 12 TYR H . 10093 1 99 . 1 1 12 12 TYR HA H 1 4.435 0.030 . 1 . . . . 12 TYR HA . 10093 1 100 . 1 1 12 12 TYR HB2 H 1 2.937 0.030 . 2 . . . . 12 TYR HB2 . 10093 1 101 . 1 1 12 12 TYR HB3 H 1 3.120 0.030 . 2 . . . . 12 TYR HB3 . 10093 1 102 . 1 1 12 12 TYR HD1 H 1 7.075 0.030 . 1 . . . . 12 TYR HD1 . 10093 1 103 . 1 1 12 12 TYR HD2 H 1 7.075 0.030 . 1 . . . . 12 TYR HD2 . 10093 1 104 . 1 1 12 12 TYR HE1 H 1 6.763 0.030 . 1 . . . . 12 TYR HE1 . 10093 1 105 . 1 1 12 12 TYR HE2 H 1 6.763 0.030 . 1 . . . . 12 TYR HE2 . 10093 1 106 . 1 1 12 12 TYR C C 13 176.395 0.300 . 1 . . . . 12 TYR C . 10093 1 107 . 1 1 12 12 TYR CA C 13 58.568 0.300 . 1 . . . . 12 TYR CA . 10093 1 108 . 1 1 12 12 TYR CB C 13 38.755 0.300 . 1 . . . . 12 TYR CB . 10093 1 109 . 1 1 12 12 TYR CD1 C 13 133.090 0.300 . 1 . . . . 12 TYR CD1 . 10093 1 110 . 1 1 12 12 TYR CD2 C 13 133.090 0.300 . 1 . . . . 12 TYR CD2 . 10093 1 111 . 1 1 12 12 TYR CE1 C 13 118.244 0.300 . 1 . . . . 12 TYR CE1 . 10093 1 112 . 1 1 12 12 TYR CE2 C 13 118.244 0.300 . 1 . . . . 12 TYR CE2 . 10093 1 113 . 1 1 12 12 TYR N N 15 117.540 0.300 . 1 . . . . 12 TYR N . 10093 1 114 . 1 1 13 13 MET H H 1 7.788 0.030 . 1 . . . . 13 MET H . 10093 1 115 . 1 1 13 13 MET HA H 1 4.251 0.030 . 1 . . . . 13 MET HA . 10093 1 116 . 1 1 13 13 MET HB2 H 1 1.840 0.030 . 2 . . . . 13 MET HB2 . 10093 1 117 . 1 1 13 13 MET HB3 H 1 1.737 0.030 . 2 . . . . 13 MET HB3 . 10093 1 118 . 1 1 13 13 MET HG2 H 1 2.239 0.030 . 1 . . . . 13 MET HG2 . 10093 1 119 . 1 1 13 13 MET HG3 H 1 2.239 0.030 . 1 . . . . 13 MET HG3 . 10093 1 120 . 1 1 13 13 MET HE1 H 1 1.995 0.030 . 1 . . . . 13 MET HE . 10093 1 121 . 1 1 13 13 MET HE2 H 1 1.995 0.030 . 1 . . . . 13 MET HE . 10093 1 122 . 1 1 13 13 MET HE3 H 1 1.995 0.030 . 1 . . . . 13 MET HE . 10093 1 123 . 1 1 13 13 MET C C 13 175.787 0.300 . 1 . . . . 13 MET C . 10093 1 124 . 1 1 13 13 MET CA C 13 56.565 0.300 . 1 . . . . 13 MET CA . 10093 1 125 . 1 1 13 13 MET CB C 13 32.452 0.300 . 1 . . . . 13 MET CB . 10093 1 126 . 1 1 13 13 MET CG C 13 32.095 0.300 . 1 . . . . 13 MET CG . 10093 1 127 . 1 1 13 13 MET CE C 13 16.895 0.300 . 1 . . . . 13 MET CE . 10093 1 128 . 1 1 13 13 MET N N 15 119.357 0.300 . 1 . . . . 13 MET N . 10093 1 129 . 1 1 14 14 TYR H H 1 7.904 0.030 . 1 . . . . 14 TYR H . 10093 1 130 . 1 1 14 14 TYR HA H 1 4.664 0.030 . 1 . . . . 14 TYR HA . 10093 1 131 . 1 1 14 14 TYR HB2 H 1 2.863 0.030 . 2 . . . . 14 TYR HB2 . 10093 1 132 . 1 1 14 14 TYR HB3 H 1 3.236 0.030 . 2 . . . . 14 TYR HB3 . 10093 1 133 . 1 1 14 14 TYR HD1 H 1 7.142 0.030 . 1 . . . . 14 TYR HD1 . 10093 1 134 . 1 1 14 14 TYR HD2 H 1 7.142 0.030 . 1 . . . . 14 TYR HD2 . 10093 1 135 . 1 1 14 14 TYR HE1 H 1 6.816 0.030 . 1 . . . . 14 TYR HE1 . 10093 1 136 . 1 1 14 14 TYR HE2 H 1 6.816 0.030 . 1 . . . . 14 TYR HE2 . 10093 1 137 . 1 1 14 14 TYR C C 13 175.495 0.300 . 1 . . . . 14 TYR C . 10093 1 138 . 1 1 14 14 TYR CA C 13 57.624 0.300 . 1 . . . . 14 TYR CA . 10093 1 139 . 1 1 14 14 TYR CB C 13 38.466 0.300 . 1 . . . . 14 TYR CB . 10093 1 140 . 1 1 14 14 TYR CD1 C 13 133.361 0.300 . 1 . . . . 14 TYR CD1 . 10093 1 141 . 1 1 14 14 TYR CD2 C 13 133.361 0.300 . 1 . . . . 14 TYR CD2 . 10093 1 142 . 1 1 14 14 TYR CE1 C 13 118.300 0.300 . 1 . . . . 14 TYR CE1 . 10093 1 143 . 1 1 14 14 TYR CE2 C 13 118.300 0.300 . 1 . . . . 14 TYR CE2 . 10093 1 144 . 1 1 14 14 TYR N N 15 117.806 0.300 . 1 . . . . 14 TYR N . 10093 1 145 . 1 1 15 15 ARG H H 1 7.611 0.030 . 1 . . . . 15 ARG H . 10093 1 146 . 1 1 15 15 ARG HA H 1 4.320 0.030 . 1 . . . . 15 ARG HA . 10093 1 147 . 1 1 15 15 ARG HB2 H 1 1.754 0.030 . 2 . . . . 15 ARG HB2 . 10093 1 148 . 1 1 15 15 ARG HB3 H 1 1.665 0.030 . 2 . . . . 15 ARG HB3 . 10093 1 149 . 1 1 15 15 ARG HG2 H 1 1.519 0.030 . 1 . . . . 15 ARG HG2 . 10093 1 150 . 1 1 15 15 ARG HG3 H 1 1.519 0.030 . 1 . . . . 15 ARG HG3 . 10093 1 151 . 1 1 15 15 ARG HD2 H 1 3.070 0.030 . 1 . . . . 15 ARG HD2 . 10093 1 152 . 1 1 15 15 ARG HD3 H 1 3.070 0.030 . 1 . . . . 15 ARG HD3 . 10093 1 153 . 1 1 15 15 ARG HE H 1 7.117 0.030 . 1 . . . . 15 ARG HE . 10093 1 154 . 1 1 15 15 ARG C C 13 174.598 0.300 . 1 . . . . 15 ARG C . 10093 1 155 . 1 1 15 15 ARG CA C 13 55.650 0.300 . 1 . . . . 15 ARG CA . 10093 1 156 . 1 1 15 15 ARG CB C 13 31.380 0.300 . 1 . . . . 15 ARG CB . 10093 1 157 . 1 1 15 15 ARG CG C 13 27.036 0.300 . 1 . . . . 15 ARG CG . 10093 1 158 . 1 1 15 15 ARG CD C 13 43.502 0.300 . 1 . . . . 15 ARG CD . 10093 1 159 . 1 1 15 15 ARG N N 15 121.771 0.300 . 1 . . . . 15 ARG N . 10093 1 160 . 1 1 15 15 ARG NE N 15 84.597 0.300 . 1 . . . . 15 ARG NE . 10093 1 161 . 1 1 16 16 GLU H H 1 8.143 0.030 . 1 . . . . 16 GLU H . 10093 1 162 . 1 1 16 16 GLU HA H 1 3.250 0.030 . 1 . . . . 16 GLU HA . 10093 1 163 . 1 1 16 16 GLU HB2 H 1 1.705 0.030 . 1 . . . . 16 GLU HB2 . 10093 1 164 . 1 1 16 16 GLU HB3 H 1 1.705 0.030 . 1 . . . . 16 GLU HB3 . 10093 1 165 . 1 1 16 16 GLU HG2 H 1 2.032 0.030 . 1 . . . . 16 GLU HG2 . 10093 1 166 . 1 1 16 16 GLU HG3 H 1 2.032 0.030 . 1 . . . . 16 GLU HG3 . 10093 1 167 . 1 1 16 16 GLU C C 13 175.047 0.300 . 1 . . . . 16 GLU C . 10093 1 168 . 1 1 16 16 GLU CA C 13 56.633 0.300 . 1 . . . . 16 GLU CA . 10093 1 169 . 1 1 16 16 GLU CB C 13 30.104 0.300 . 1 . . . . 16 GLU CB . 10093 1 170 . 1 1 16 16 GLU CG C 13 35.876 0.300 . 1 . . . . 16 GLU CG . 10093 1 171 . 1 1 16 16 GLU N N 15 121.212 0.300 . 1 . . . . 16 GLU N . 10093 1 172 . 1 1 17 17 VAL H H 1 5.353 0.030 . 1 . . . . 17 VAL H . 10093 1 173 . 1 1 17 17 VAL HA H 1 3.736 0.030 . 1 . . . . 17 VAL HA . 10093 1 174 . 1 1 17 17 VAL HB H 1 0.645 0.030 . 1 . . . . 17 VAL HB . 10093 1 175 . 1 1 17 17 VAL HG11 H 1 0.165 0.030 . 1 . . . . 17 VAL HG1 . 10093 1 176 . 1 1 17 17 VAL HG12 H 1 0.165 0.030 . 1 . . . . 17 VAL HG1 . 10093 1 177 . 1 1 17 17 VAL HG13 H 1 0.165 0.030 . 1 . . . . 17 VAL HG1 . 10093 1 178 . 1 1 17 17 VAL HG21 H 1 0.379 0.030 . 1 . . . . 17 VAL HG2 . 10093 1 179 . 1 1 17 17 VAL HG22 H 1 0.379 0.030 . 1 . . . . 17 VAL HG2 . 10093 1 180 . 1 1 17 17 VAL HG23 H 1 0.379 0.030 . 1 . . . . 17 VAL HG2 . 10093 1 181 . 1 1 17 17 VAL C C 13 173.978 0.300 . 1 . . . . 17 VAL C . 10093 1 182 . 1 1 17 17 VAL CA C 13 60.194 0.300 . 1 . . . . 17 VAL CA . 10093 1 183 . 1 1 17 17 VAL CB C 13 34.305 0.300 . 1 . . . . 17 VAL CB . 10093 1 184 . 1 1 17 17 VAL CG1 C 13 20.868 0.300 . 1 . . . . 17 VAL CG1 . 10093 1 185 . 1 1 17 17 VAL CG2 C 13 20.868 0.300 . 1 . . . . 17 VAL CG2 . 10093 1 186 . 1 1 18 18 ASP H H 1 8.361 0.030 . 1 . . . . 18 ASP H . 10093 1 187 . 1 1 18 18 ASP HA H 1 4.778 0.030 . 1 . . . . 18 ASP HA . 10093 1 188 . 1 1 18 18 ASP HB2 H 1 2.554 0.030 . 2 . . . . 18 ASP HB2 . 10093 1 189 . 1 1 18 18 ASP HB3 H 1 2.939 0.030 . 2 . . . . 18 ASP HB3 . 10093 1 190 . 1 1 18 18 ASP C C 13 177.245 0.300 . 1 . . . . 18 ASP C . 10093 1 191 . 1 1 18 18 ASP CA C 13 52.581 0.300 . 1 . . . . 18 ASP CA . 10093 1 192 . 1 1 18 18 ASP CB C 13 40.855 0.300 . 1 . . . . 18 ASP CB . 10093 1 193 . 1 1 18 18 ASP N N 15 125.095 0.300 . 1 . . . . 18 ASP N . 10093 1 194 . 1 1 19 19 THR H H 1 8.764 0.030 . 1 . . . . 19 THR H . 10093 1 195 . 1 1 19 19 THR HA H 1 3.771 0.030 . 1 . . . . 19 THR HA . 10093 1 196 . 1 1 19 19 THR HB H 1 3.968 0.030 . 1 . . . . 19 THR HB . 10093 1 197 . 1 1 19 19 THR HG21 H 1 0.890 0.030 . 1 . . . . 19 THR HG2 . 10093 1 198 . 1 1 19 19 THR HG22 H 1 0.890 0.030 . 1 . . . . 19 THR HG2 . 10093 1 199 . 1 1 19 19 THR HG23 H 1 0.890 0.030 . 1 . . . . 19 THR HG2 . 10093 1 200 . 1 1 19 19 THR C C 13 176.329 0.300 . 1 . . . . 19 THR C . 10093 1 201 . 1 1 19 19 THR CA C 13 64.816 0.300 . 1 . . . . 19 THR CA . 10093 1 202 . 1 1 19 19 THR CB C 13 68.126 0.300 . 1 . . . . 19 THR CB . 10093 1 203 . 1 1 19 19 THR CG2 C 13 22.863 0.300 . 1 . . . . 19 THR CG2 . 10093 1 204 . 1 1 19 19 THR N N 15 117.398 0.300 . 1 . . . . 19 THR N . 10093 1 205 . 1 1 20 20 LEU H H 1 7.963 0.030 . 1 . . . . 20 LEU H . 10093 1 206 . 1 1 20 20 LEU HA H 1 4.103 0.030 . 1 . . . . 20 LEU HA . 10093 1 207 . 1 1 20 20 LEU HB2 H 1 1.887 0.030 . 2 . . . . 20 LEU HB2 . 10093 1 208 . 1 1 20 20 LEU HB3 H 1 1.821 0.030 . 2 . . . . 20 LEU HB3 . 10093 1 209 . 1 1 20 20 LEU HG H 1 1.615 0.030 . 1 . . . . 20 LEU HG . 10093 1 210 . 1 1 20 20 LEU HD11 H 1 0.921 0.030 . 1 . . . . 20 LEU HD1 . 10093 1 211 . 1 1 20 20 LEU HD12 H 1 0.921 0.030 . 1 . . . . 20 LEU HD1 . 10093 1 212 . 1 1 20 20 LEU HD13 H 1 0.921 0.030 . 1 . . . . 20 LEU HD1 . 10093 1 213 . 1 1 20 20 LEU HD21 H 1 0.935 0.030 . 1 . . . . 20 LEU HD2 . 10093 1 214 . 1 1 20 20 LEU HD22 H 1 0.935 0.030 . 1 . . . . 20 LEU HD2 . 10093 1 215 . 1 1 20 20 LEU HD23 H 1 0.935 0.030 . 1 . . . . 20 LEU HD2 . 10093 1 216 . 1 1 20 20 LEU C C 13 178.727 0.300 . 1 . . . . 20 LEU C . 10093 1 217 . 1 1 20 20 LEU CA C 13 58.625 0.300 . 1 . . . . 20 LEU CA . 10093 1 218 . 1 1 20 20 LEU CB C 13 41.291 0.300 . 1 . . . . 20 LEU CB . 10093 1 219 . 1 1 20 20 LEU CG C 13 27.435 0.300 . 1 . . . . 20 LEU CG . 10093 1 220 . 1 1 20 20 LEU CD1 C 13 24.856 0.300 . 2 . . . . 20 LEU CD1 . 10093 1 221 . 1 1 20 20 LEU CD2 C 13 24.008 0.300 . 2 . . . . 20 LEU CD2 . 10093 1 222 . 1 1 20 20 LEU N N 15 125.863 0.300 . 1 . . . . 20 LEU N . 10093 1 223 . 1 1 21 21 GLU H H 1 7.604 0.030 . 1 . . . . 21 GLU H . 10093 1 224 . 1 1 21 21 GLU HA H 1 4.247 0.030 . 1 . . . . 21 GLU HA . 10093 1 225 . 1 1 21 21 GLU HB2 H 1 1.845 0.030 . 2 . . . . 21 GLU HB2 . 10093 1 226 . 1 1 21 21 GLU HB3 H 1 1.954 0.030 . 2 . . . . 21 GLU HB3 . 10093 1 227 . 1 1 21 21 GLU HG2 H 1 2.255 0.030 . 2 . . . . 21 GLU HG2 . 10093 1 228 . 1 1 21 21 GLU HG3 H 1 2.329 0.030 . 2 . . . . 21 GLU HG3 . 10093 1 229 . 1 1 21 21 GLU C C 13 178.630 0.300 . 1 . . . . 21 GLU C . 10093 1 230 . 1 1 21 21 GLU CA C 13 58.129 0.300 . 1 . . . . 21 GLU CA . 10093 1 231 . 1 1 21 21 GLU CB C 13 29.362 0.300 . 1 . . . . 21 GLU CB . 10093 1 232 . 1 1 21 21 GLU CG C 13 35.249 0.300 . 1 . . . . 21 GLU CG . 10093 1 233 . 1 1 21 21 GLU N N 15 121.320 0.300 . 1 . . . . 21 GLU N . 10093 1 234 . 1 1 22 22 LEU H H 1 8.260 0.030 . 1 . . . . 22 LEU H . 10093 1 235 . 1 1 22 22 LEU HA H 1 4.251 0.030 . 1 . . . . 22 LEU HA . 10093 1 236 . 1 1 22 22 LEU HB2 H 1 1.697 0.030 . 2 . . . . 22 LEU HB2 . 10093 1 237 . 1 1 22 22 LEU HB3 H 1 1.852 0.030 . 2 . . . . 22 LEU HB3 . 10093 1 238 . 1 1 22 22 LEU HG H 1 1.680 0.030 . 1 . . . . 22 LEU HG . 10093 1 239 . 1 1 22 22 LEU HD11 H 1 0.978 0.030 . 1 . . . . 22 LEU HD1 . 10093 1 240 . 1 1 22 22 LEU HD12 H 1 0.978 0.030 . 1 . . . . 22 LEU HD1 . 10093 1 241 . 1 1 22 22 LEU HD13 H 1 0.978 0.030 . 1 . . . . 22 LEU HD1 . 10093 1 242 . 1 1 22 22 LEU HD21 H 1 1.232 0.030 . 1 . . . . 22 LEU HD2 . 10093 1 243 . 1 1 22 22 LEU HD22 H 1 1.232 0.030 . 1 . . . . 22 LEU HD2 . 10093 1 244 . 1 1 22 22 LEU HD23 H 1 1.232 0.030 . 1 . . . . 22 LEU HD2 . 10093 1 245 . 1 1 22 22 LEU C C 13 178.967 0.300 . 1 . . . . 22 LEU C . 10093 1 246 . 1 1 22 22 LEU CA C 13 58.357 0.300 . 1 . . . . 22 LEU CA . 10093 1 247 . 1 1 22 22 LEU CB C 13 42.915 0.300 . 1 . . . . 22 LEU CB . 10093 1 248 . 1 1 22 22 LEU CG C 13 27.641 0.300 . 1 . . . . 22 LEU CG . 10093 1 249 . 1 1 22 22 LEU CD1 C 13 23.861 0.300 . 2 . . . . 22 LEU CD1 . 10093 1 250 . 1 1 22 22 LEU CD2 C 13 27.767 0.300 . 2 . . . . 22 LEU CD2 . 10093 1 251 . 1 1 22 22 LEU N N 15 119.303 0.300 . 1 . . . . 22 LEU N . 10093 1 252 . 1 1 23 23 THR H H 1 8.090 0.030 . 1 . . . . 23 THR H . 10093 1 253 . 1 1 23 23 THR HA H 1 3.954 0.030 . 1 . . . . 23 THR HA . 10093 1 254 . 1 1 23 23 THR HB H 1 4.469 0.030 . 1 . . . . 23 THR HB . 10093 1 255 . 1 1 23 23 THR HG21 H 1 1.797 0.030 . 1 . . . . 23 THR HG2 . 10093 1 256 . 1 1 23 23 THR HG22 H 1 1.797 0.030 . 1 . . . . 23 THR HG2 . 10093 1 257 . 1 1 23 23 THR HG23 H 1 1.797 0.030 . 1 . . . . 23 THR HG2 . 10093 1 258 . 1 1 23 23 THR C C 13 177.051 0.300 . 1 . . . . 23 THR C . 10093 1 259 . 1 1 23 23 THR CA C 13 66.599 0.300 . 1 . . . . 23 THR CA . 10093 1 260 . 1 1 23 23 THR CB C 13 69.198 0.300 . 1 . . . . 23 THR CB . 10093 1 261 . 1 1 23 23 THR CG2 C 13 23.528 0.300 . 1 . . . . 23 THR CG2 . 10093 1 262 . 1 1 23 23 THR N N 15 108.061 0.300 . 1 . . . . 23 THR N . 10093 1 263 . 1 1 24 24 ARG H H 1 8.020 0.030 . 1 . . . . 24 ARG H . 10093 1 264 . 1 1 24 24 ARG HA H 1 4.001 0.030 . 1 . . . . 24 ARG HA . 10093 1 265 . 1 1 24 24 ARG HB2 H 1 2.087 0.030 . 1 . . . . 24 ARG HB2 . 10093 1 266 . 1 1 24 24 ARG HB3 H 1 2.087 0.030 . 1 . . . . 24 ARG HB3 . 10093 1 267 . 1 1 24 24 ARG HG2 H 1 1.782 0.030 . 2 . . . . 24 ARG HG2 . 10093 1 268 . 1 1 24 24 ARG HG3 H 1 1.539 0.030 . 2 . . . . 24 ARG HG3 . 10093 1 269 . 1 1 24 24 ARG HD2 H 1 3.114 0.030 . 2 . . . . 24 ARG HD2 . 10093 1 270 . 1 1 24 24 ARG HD3 H 1 3.294 0.030 . 2 . . . . 24 ARG HD3 . 10093 1 271 . 1 1 24 24 ARG HE H 1 7.840 0.030 . 1 . . . . 24 ARG HE . 10093 1 272 . 1 1 24 24 ARG C C 13 179.599 0.300 . 1 . . . . 24 ARG C . 10093 1 273 . 1 1 24 24 ARG CA C 13 60.637 0.300 . 1 . . . . 24 ARG CA . 10093 1 274 . 1 1 24 24 ARG CB C 13 29.874 0.300 . 1 . . . . 24 ARG CB . 10093 1 275 . 1 1 24 24 ARG CG C 13 27.352 0.300 . 1 . . . . 24 ARG CG . 10093 1 276 . 1 1 24 24 ARG CD C 13 43.142 0.300 . 1 . . . . 24 ARG CD . 10093 1 277 . 1 1 24 24 ARG N N 15 124.191 0.300 . 1 . . . . 24 ARG N . 10093 1 278 . 1 1 24 24 ARG NE N 15 83.219 0.300 . 1 . . . . 24 ARG NE . 10093 1 279 . 1 1 25 25 GLN H H 1 8.245 0.030 . 1 . . . . 25 GLN H . 10093 1 280 . 1 1 25 25 GLN HA H 1 4.023 0.030 . 1 . . . . 25 GLN HA . 10093 1 281 . 1 1 25 25 GLN HB2 H 1 2.164 0.030 . 2 . . . . 25 GLN HB2 . 10093 1 282 . 1 1 25 25 GLN HB3 H 1 2.397 0.030 . 2 . . . . 25 GLN HB3 . 10093 1 283 . 1 1 25 25 GLN HG2 H 1 2.725 0.030 . 2 . . . . 25 GLN HG2 . 10093 1 284 . 1 1 25 25 GLN HG3 H 1 2.363 0.030 . 2 . . . . 25 GLN HG3 . 10093 1 285 . 1 1 25 25 GLN HE21 H 1 7.701 0.030 . 2 . . . . 25 GLN HE21 . 10093 1 286 . 1 1 25 25 GLN HE22 H 1 6.702 0.030 . 2 . . . . 25 GLN HE22 . 10093 1 287 . 1 1 25 25 GLN C C 13 180.181 0.300 . 1 . . . . 25 GLN C . 10093 1 288 . 1 1 25 25 GLN CA C 13 59.470 0.300 . 1 . . . . 25 GLN CA . 10093 1 289 . 1 1 25 25 GLN CB C 13 29.366 0.300 . 1 . . . . 25 GLN CB . 10093 1 290 . 1 1 25 25 GLN CG C 13 34.584 0.300 . 1 . . . . 25 GLN CG . 10093 1 291 . 1 1 25 25 GLN N N 15 118.874 0.300 . 1 . . . . 25 GLN N . 10093 1 292 . 1 1 25 25 GLN NE2 N 15 110.957 0.300 . 1 . . . . 25 GLN NE2 . 10093 1 293 . 1 1 26 26 VAL H H 1 8.833 0.030 . 1 . . . . 26 VAL H . 10093 1 294 . 1 1 26 26 VAL HA H 1 3.805 0.030 . 1 . . . . 26 VAL HA . 10093 1 295 . 1 1 26 26 VAL HB H 1 2.233 0.030 . 1 . . . . 26 VAL HB . 10093 1 296 . 1 1 26 26 VAL HG11 H 1 0.606 0.030 . 1 . . . . 26 VAL HG1 . 10093 1 297 . 1 1 26 26 VAL HG12 H 1 0.606 0.030 . 1 . . . . 26 VAL HG1 . 10093 1 298 . 1 1 26 26 VAL HG13 H 1 0.606 0.030 . 1 . . . . 26 VAL HG1 . 10093 1 299 . 1 1 26 26 VAL HG21 H 1 1.308 0.030 . 1 . . . . 26 VAL HG2 . 10093 1 300 . 1 1 26 26 VAL HG22 H 1 1.308 0.030 . 1 . . . . 26 VAL HG2 . 10093 1 301 . 1 1 26 26 VAL HG23 H 1 1.308 0.030 . 1 . . . . 26 VAL HG2 . 10093 1 302 . 1 1 26 26 VAL C C 13 177.280 0.300 . 1 . . . . 26 VAL C . 10093 1 303 . 1 1 26 26 VAL CA C 13 67.200 0.300 . 1 . . . . 26 VAL CA . 10093 1 304 . 1 1 26 26 VAL CB C 13 31.999 0.300 . 1 . . . . 26 VAL CB . 10093 1 305 . 1 1 26 26 VAL CG1 C 13 21.699 0.300 . 2 . . . . 26 VAL CG1 . 10093 1 306 . 1 1 26 26 VAL CG2 C 13 24.193 0.300 . 2 . . . . 26 VAL CG2 . 10093 1 307 . 1 1 26 26 VAL N N 15 121.783 0.300 . 1 . . . . 26 VAL N . 10093 1 308 . 1 1 27 27 LYS H H 1 8.555 0.030 . 1 . . . . 27 LYS H . 10093 1 309 . 1 1 27 27 LYS HA H 1 3.794 0.030 . 1 . . . . 27 LYS HA . 10093 1 310 . 1 1 27 27 LYS HB2 H 1 1.864 0.030 . 2 . . . . 27 LYS HB2 . 10093 1 311 . 1 1 27 27 LYS HB3 H 1 2.022 0.030 . 2 . . . . 27 LYS HB3 . 10093 1 312 . 1 1 27 27 LYS HG2 H 1 1.458 0.030 . 2 . . . . 27 LYS HG2 . 10093 1 313 . 1 1 27 27 LYS HG3 H 1 1.744 0.030 . 2 . . . . 27 LYS HG3 . 10093 1 314 . 1 1 27 27 LYS HD2 H 1 1.725 0.030 . 1 . . . . 27 LYS HD2 . 10093 1 315 . 1 1 27 27 LYS HD3 H 1 1.725 0.030 . 1 . . . . 27 LYS HD3 . 10093 1 316 . 1 1 27 27 LYS HE2 H 1 2.988 0.030 . 2 . . . . 27 LYS HE2 . 10093 1 317 . 1 1 27 27 LYS HE3 H 1 2.896 0.030 . 2 . . . . 27 LYS HE3 . 10093 1 318 . 1 1 27 27 LYS C C 13 179.769 0.300 . 1 . . . . 27 LYS C . 10093 1 319 . 1 1 27 27 LYS CA C 13 61.086 0.300 . 1 . . . . 27 LYS CA . 10093 1 320 . 1 1 27 27 LYS CB C 13 32.040 0.300 . 1 . . . . 27 LYS CB . 10093 1 321 . 1 1 27 27 LYS CG C 13 27.019 0.300 . 1 . . . . 27 LYS CG . 10093 1 322 . 1 1 27 27 LYS CD C 13 29.430 0.300 . 1 . . . . 27 LYS CD . 10093 1 323 . 1 1 27 27 LYS CE C 13 42.052 0.300 . 1 . . . . 27 LYS CE . 10093 1 324 . 1 1 27 27 LYS N N 15 118.524 0.300 . 1 . . . . 27 LYS N . 10093 1 325 . 1 1 28 28 GLU H H 1 8.005 0.030 . 1 . . . . 28 GLU H . 10093 1 326 . 1 1 28 28 GLU HA H 1 4.148 0.030 . 1 . . . . 28 GLU HA . 10093 1 327 . 1 1 28 28 GLU HB2 H 1 2.145 0.030 . 1 . . . . 28 GLU HB2 . 10093 1 328 . 1 1 28 28 GLU HB3 H 1 2.145 0.030 . 1 . . . . 28 GLU HB3 . 10093 1 329 . 1 1 28 28 GLU HG2 H 1 2.457 0.030 . 2 . . . . 28 GLU HG2 . 10093 1 330 . 1 1 28 28 GLU HG3 H 1 2.239 0.030 . 2 . . . . 28 GLU HG3 . 10093 1 331 . 1 1 28 28 GLU C C 13 178.457 0.300 . 1 . . . . 28 GLU C . 10093 1 332 . 1 1 28 28 GLU CA C 13 59.560 0.300 . 1 . . . . 28 GLU CA . 10093 1 333 . 1 1 28 28 GLU CB C 13 29.630 0.300 . 1 . . . . 28 GLU CB . 10093 1 334 . 1 1 28 28 GLU CG C 13 36.496 0.300 . 1 . . . . 28 GLU CG . 10093 1 335 . 1 1 28 28 GLU N N 15 119.348 0.300 . 1 . . . . 28 GLU N . 10093 1 336 . 1 1 29 29 LYS H H 1 7.956 0.030 . 1 . . . . 29 LYS H . 10093 1 337 . 1 1 29 29 LYS HA H 1 4.114 0.030 . 1 . . . . 29 LYS HA . 10093 1 338 . 1 1 29 29 LYS HB2 H 1 1.888 0.030 . 2 . . . . 29 LYS HB2 . 10093 1 339 . 1 1 29 29 LYS HB3 H 1 2.065 0.030 . 2 . . . . 29 LYS HB3 . 10093 1 340 . 1 1 29 29 LYS HG2 H 1 1.339 0.030 . 2 . . . . 29 LYS HG2 . 10093 1 341 . 1 1 29 29 LYS HG3 H 1 1.220 0.030 . 2 . . . . 29 LYS HG3 . 10093 1 342 . 1 1 29 29 LYS HD2 H 1 0.967 0.030 . 2 . . . . 29 LYS HD2 . 10093 1 343 . 1 1 29 29 LYS HD3 H 1 1.422 0.030 . 2 . . . . 29 LYS HD3 . 10093 1 344 . 1 1 29 29 LYS HE2 H 1 2.361 0.030 . 2 . . . . 29 LYS HE2 . 10093 1 345 . 1 1 29 29 LYS HE3 H 1 2.570 0.030 . 2 . . . . 29 LYS HE3 . 10093 1 346 . 1 1 29 29 LYS C C 13 179.489 0.300 . 1 . . . . 29 LYS C . 10093 1 347 . 1 1 29 29 LYS CA C 13 59.548 0.300 . 1 . . . . 29 LYS CA . 10093 1 348 . 1 1 29 29 LYS CB C 13 32.001 0.300 . 1 . . . . 29 LYS CB . 10093 1 349 . 1 1 29 29 LYS CG C 13 25.856 0.300 . 1 . . . . 29 LYS CG . 10093 1 350 . 1 1 29 29 LYS CD C 13 29.458 0.300 . 1 . . . . 29 LYS CD . 10093 1 351 . 1 1 29 29 LYS CE C 13 41.982 0.300 . 1 . . . . 29 LYS CE . 10093 1 352 . 1 1 29 29 LYS N N 15 121.711 0.300 . 1 . . . . 29 LYS N . 10093 1 353 . 1 1 30 30 LEU H H 1 8.908 0.030 . 1 . . . . 30 LEU H . 10093 1 354 . 1 1 30 30 LEU HA H 1 4.034 0.030 . 1 . . . . 30 LEU HA . 10093 1 355 . 1 1 30 30 LEU HB2 H 1 1.796 0.030 . 2 . . . . 30 LEU HB2 . 10093 1 356 . 1 1 30 30 LEU HB3 H 1 1.687 0.030 . 2 . . . . 30 LEU HB3 . 10093 1 357 . 1 1 30 30 LEU HG H 1 1.620 0.030 . 1 . . . . 30 LEU HG . 10093 1 358 . 1 1 30 30 LEU HD11 H 1 0.169 0.030 . 1 . . . . 30 LEU HD1 . 10093 1 359 . 1 1 30 30 LEU HD12 H 1 0.169 0.030 . 1 . . . . 30 LEU HD1 . 10093 1 360 . 1 1 30 30 LEU HD13 H 1 0.169 0.030 . 1 . . . . 30 LEU HD1 . 10093 1 361 . 1 1 30 30 LEU HD21 H 1 0.072 0.030 . 1 . . . . 30 LEU HD2 . 10093 1 362 . 1 1 30 30 LEU HD22 H 1 0.072 0.030 . 1 . . . . 30 LEU HD2 . 10093 1 363 . 1 1 30 30 LEU HD23 H 1 0.072 0.030 . 1 . . . . 30 LEU HD2 . 10093 1 364 . 1 1 30 30 LEU C C 13 179.307 0.300 . 1 . . . . 30 LEU C . 10093 1 365 . 1 1 30 30 LEU CA C 13 58.747 0.300 . 1 . . . . 30 LEU CA . 10093 1 366 . 1 1 30 30 LEU CB C 13 40.623 0.300 . 1 . . . . 30 LEU CB . 10093 1 367 . 1 1 30 30 LEU CG C 13 25.606 0.300 . 1 . . . . 30 LEU CG . 10093 1 368 . 1 1 30 30 LEU CD1 C 13 25.604 0.300 . 2 . . . . 30 LEU CD1 . 10093 1 369 . 1 1 30 30 LEU CD2 C 13 22.614 0.300 . 2 . . . . 30 LEU CD2 . 10093 1 370 . 1 1 30 30 LEU N N 15 120.014 0.300 . 1 . . . . 30 LEU N . 10093 1 371 . 1 1 31 31 ALA H H 1 7.755 0.030 . 1 . . . . 31 ALA H . 10093 1 372 . 1 1 31 31 ALA HA H 1 4.169 0.030 . 1 . . . . 31 ALA HA . 10093 1 373 . 1 1 31 31 ALA HB1 H 1 1.524 0.030 . 1 . . . . 31 ALA HB . 10093 1 374 . 1 1 31 31 ALA HB2 H 1 1.524 0.030 . 1 . . . . 31 ALA HB . 10093 1 375 . 1 1 31 31 ALA HB3 H 1 1.524 0.030 . 1 . . . . 31 ALA HB . 10093 1 376 . 1 1 31 31 ALA C C 13 181.444 0.300 . 1 . . . . 31 ALA C . 10093 1 377 . 1 1 31 31 ALA CA C 13 54.946 0.300 . 1 . . . . 31 ALA CA . 10093 1 378 . 1 1 31 31 ALA CB C 13 18.025 0.300 . 1 . . . . 31 ALA CB . 10093 1 379 . 1 1 31 31 ALA N N 15 119.716 0.300 . 1 . . . . 31 ALA N . 10093 1 380 . 1 1 32 32 LYS H H 1 8.232 0.030 . 1 . . . . 32 LYS H . 10093 1 381 . 1 1 32 32 LYS HA H 1 4.080 0.030 . 1 . . . . 32 LYS HA . 10093 1 382 . 1 1 32 32 LYS HB2 H 1 1.964 0.030 . 2 . . . . 32 LYS HB2 . 10093 1 383 . 1 1 32 32 LYS HB3 H 1 1.890 0.030 . 2 . . . . 32 LYS HB3 . 10093 1 384 . 1 1 32 32 LYS HG2 H 1 1.483 0.030 . 2 . . . . 32 LYS HG2 . 10093 1 385 . 1 1 32 32 LYS HG3 H 1 1.567 0.030 . 2 . . . . 32 LYS HG3 . 10093 1 386 . 1 1 32 32 LYS HE2 H 1 2.981 0.030 . 1 . . . . 32 LYS HE2 . 10093 1 387 . 1 1 32 32 LYS HE3 H 1 2.981 0.030 . 1 . . . . 32 LYS HE3 . 10093 1 388 . 1 1 32 32 LYS C C 13 178.044 0.300 . 1 . . . . 32 LYS C . 10093 1 389 . 1 1 32 32 LYS CA C 13 58.887 0.300 . 1 . . . . 32 LYS CA . 10093 1 390 . 1 1 32 32 LYS CB C 13 32.658 0.300 . 1 . . . . 32 LYS CB . 10093 1 391 . 1 1 32 32 LYS CG C 13 25.098 0.300 . 1 . . . . 32 LYS CG . 10093 1 392 . 1 1 32 32 LYS CD C 13 29.347 0.300 . 1 . . . . 32 LYS CD . 10093 1 393 . 1 1 32 32 LYS CE C 13 42.314 0.300 . 1 . . . . 32 LYS CE . 10093 1 394 . 1 1 32 32 LYS N N 15 118.972 0.300 . 1 . . . . 32 LYS N . 10093 1 395 . 1 1 33 33 ASN H H 1 7.822 0.030 . 1 . . . . 33 ASN H . 10093 1 396 . 1 1 33 33 ASN HA H 1 4.801 0.030 . 1 . . . . 33 ASN HA . 10093 1 397 . 1 1 33 33 ASN HB2 H 1 2.741 0.030 . 2 . . . . 33 ASN HB2 . 10093 1 398 . 1 1 33 33 ASN HB3 H 1 3.004 0.030 . 2 . . . . 33 ASN HB3 . 10093 1 399 . 1 1 33 33 ASN HD21 H 1 7.431 0.030 . 2 . . . . 33 ASN HD21 . 10093 1 400 . 1 1 33 33 ASN HD22 H 1 7.172 0.030 . 2 . . . . 33 ASN HD22 . 10093 1 401 . 1 1 33 33 ASN C C 13 175.132 0.300 . 1 . . . . 33 ASN C . 10093 1 402 . 1 1 33 33 ASN CA C 13 53.441 0.300 . 1 . . . . 33 ASN CA . 10093 1 403 . 1 1 33 33 ASN CB C 13 39.867 0.300 . 1 . . . . 33 ASN CB . 10093 1 404 . 1 1 33 33 ASN N N 15 114.046 0.300 . 1 . . . . 33 ASN N . 10093 1 405 . 1 1 33 33 ASN ND2 N 15 111.624 0.300 . 1 . . . . 33 ASN ND2 . 10093 1 406 . 1 1 34 34 GLY H H 1 7.838 0.030 . 1 . . . . 34 GLY H . 10093 1 407 . 1 1 34 34 GLY HA2 H 1 3.954 0.030 . 1 . . . . 34 GLY HA2 . 10093 1 408 . 1 1 34 34 GLY HA3 H 1 3.954 0.030 . 1 . . . . 34 GLY HA3 . 10093 1 409 . 1 1 34 34 GLY C C 13 174.573 0.300 . 1 . . . . 34 GLY C . 10093 1 410 . 1 1 34 34 GLY CA C 13 47.190 0.300 . 1 . . . . 34 GLY CA . 10093 1 411 . 1 1 34 34 GLY N N 15 110.709 0.300 . 1 . . . . 34 GLY N . 10093 1 412 . 1 1 35 35 ILE H H 1 8.162 0.030 . 1 . . . . 35 ILE H . 10093 1 413 . 1 1 35 35 ILE HA H 1 4.165 0.030 . 1 . . . . 35 ILE HA . 10093 1 414 . 1 1 35 35 ILE HB H 1 1.717 0.030 . 1 . . . . 35 ILE HB . 10093 1 415 . 1 1 35 35 ILE HG12 H 1 1.531 0.030 . 2 . . . . 35 ILE HG12 . 10093 1 416 . 1 1 35 35 ILE HG13 H 1 1.095 0.030 . 2 . . . . 35 ILE HG13 . 10093 1 417 . 1 1 35 35 ILE HG21 H 1 0.940 0.030 . 1 . . . . 35 ILE HG2 . 10093 1 418 . 1 1 35 35 ILE HG22 H 1 0.940 0.030 . 1 . . . . 35 ILE HG2 . 10093 1 419 . 1 1 35 35 ILE HG23 H 1 0.940 0.030 . 1 . . . . 35 ILE HG2 . 10093 1 420 . 1 1 35 35 ILE HD11 H 1 1.061 0.030 . 1 . . . . 35 ILE HD1 . 10093 1 421 . 1 1 35 35 ILE HD12 H 1 1.061 0.030 . 1 . . . . 35 ILE HD1 . 10093 1 422 . 1 1 35 35 ILE HD13 H 1 1.061 0.030 . 1 . . . . 35 ILE HD1 . 10093 1 423 . 1 1 35 35 ILE C C 13 175.034 0.300 . 1 . . . . 35 ILE C . 10093 1 424 . 1 1 35 35 ILE CA C 13 60.095 0.300 . 1 . . . . 35 ILE CA . 10093 1 425 . 1 1 35 35 ILE CB C 13 39.555 0.300 . 1 . . . . 35 ILE CB . 10093 1 426 . 1 1 35 35 ILE CG1 C 13 27.276 0.300 . 1 . . . . 35 ILE CG1 . 10093 1 427 . 1 1 35 35 ILE CG2 C 13 17.626 0.300 . 1 . . . . 35 ILE CG2 . 10093 1 428 . 1 1 35 35 ILE CD1 C 13 13.715 0.300 . 1 . . . . 35 ILE CD1 . 10093 1 429 . 1 1 35 35 ILE N N 15 121.026 0.300 . 1 . . . . 35 ILE N . 10093 1 430 . 1 1 36 36 CYS H H 1 8.561 0.030 . 1 . . . . 36 CYS H . 10093 1 431 . 1 1 36 36 CYS HA H 1 4.549 0.030 . 1 . . . . 36 CYS HA . 10093 1 432 . 1 1 36 36 CYS HB2 H 1 3.090 0.030 . 2 . . . . 36 CYS HB2 . 10093 1 433 . 1 1 36 36 CYS HB3 H 1 3.293 0.030 . 2 . . . . 36 CYS HB3 . 10093 1 434 . 1 1 36 36 CYS C C 13 175.544 0.300 . 1 . . . . 36 CYS C . 10093 1 435 . 1 1 36 36 CYS CA C 13 57.370 0.300 . 1 . . . . 36 CYS CA . 10093 1 436 . 1 1 36 36 CYS CB C 13 28.455 0.300 . 1 . . . . 36 CYS CB . 10093 1 437 . 1 1 36 36 CYS N N 15 125.212 0.300 . 1 . . . . 36 CYS N . 10093 1 438 . 1 1 37 37 GLN H H 1 9.024 0.030 . 1 . . . . 37 GLN H . 10093 1 439 . 1 1 37 37 GLN HA H 1 3.713 0.030 . 1 . . . . 37 GLN HA . 10093 1 440 . 1 1 37 37 GLN HB2 H 1 2.043 0.030 . 2 . . . . 37 GLN HB2 . 10093 1 441 . 1 1 37 37 GLN HB3 H 1 1.970 0.030 . 2 . . . . 37 GLN HB3 . 10093 1 442 . 1 1 37 37 GLN HG2 H 1 2.447 0.030 . 2 . . . . 37 GLN HG2 . 10093 1 443 . 1 1 37 37 GLN HG3 H 1 2.045 0.030 . 2 . . . . 37 GLN HG3 . 10093 1 444 . 1 1 37 37 GLN HE21 H 1 7.503 0.030 . 2 . . . . 37 GLN HE21 . 10093 1 445 . 1 1 37 37 GLN HE22 H 1 6.865 0.030 . 2 . . . . 37 GLN HE22 . 10093 1 446 . 1 1 37 37 GLN C C 13 177.960 0.300 . 1 . . . . 37 GLN C . 10093 1 447 . 1 1 37 37 GLN CA C 13 60.459 0.300 . 1 . . . . 37 GLN CA . 10093 1 448 . 1 1 37 37 GLN CB C 13 28.472 0.300 . 1 . . . . 37 GLN CB . 10093 1 449 . 1 1 37 37 GLN CG C 13 35.082 0.300 . 1 . . . . 37 GLN CG . 10093 1 450 . 1 1 37 37 GLN N N 15 124.973 0.300 . 1 . . . . 37 GLN N . 10093 1 451 . 1 1 37 37 GLN NE2 N 15 109.367 0.300 . 1 . . . . 37 GLN NE2 . 10093 1 452 . 1 1 38 38 ARG H H 1 8.827 0.030 . 1 . . . . 38 ARG H . 10093 1 453 . 1 1 38 38 ARG HA H 1 4.000 0.030 . 1 . . . . 38 ARG HA . 10093 1 454 . 1 1 38 38 ARG HB2 H 1 1.838 0.030 . 2 . . . . 38 ARG HB2 . 10093 1 455 . 1 1 38 38 ARG HB3 H 1 1.959 0.030 . 2 . . . . 38 ARG HB3 . 10093 1 456 . 1 1 38 38 ARG HG2 H 1 1.488 0.030 . 2 . . . . 38 ARG HG2 . 10093 1 457 . 1 1 38 38 ARG HG3 H 1 1.564 0.030 . 2 . . . . 38 ARG HG3 . 10093 1 458 . 1 1 38 38 ARG HD2 H 1 3.096 0.030 . 2 . . . . 38 ARG HD2 . 10093 1 459 . 1 1 38 38 ARG HD3 H 1 3.249 0.030 . 2 . . . . 38 ARG HD3 . 10093 1 460 . 1 1 38 38 ARG HE H 1 7.425 0.030 . 1 . . . . 38 ARG HE . 10093 1 461 . 1 1 38 38 ARG C C 13 178.445 0.300 . 1 . . . . 38 ARG C . 10093 1 462 . 1 1 38 38 ARG CA C 13 60.143 0.300 . 1 . . . . 38 ARG CA . 10093 1 463 . 1 1 38 38 ARG CB C 13 30.186 0.300 . 1 . . . . 38 ARG CB . 10093 1 464 . 1 1 38 38 ARG CG C 13 27.186 0.300 . 1 . . . . 38 ARG CG . 10093 1 465 . 1 1 38 38 ARG CD C 13 43.166 0.300 . 1 . . . . 38 ARG CD . 10093 1 466 . 1 1 38 38 ARG N N 15 119.531 0.300 . 1 . . . . 38 ARG N . 10093 1 467 . 1 1 38 38 ARG NE N 15 83.406 0.300 . 1 . . . . 38 ARG NE . 10093 1 468 . 1 1 39 39 ILE H H 1 7.241 0.030 . 1 . . . . 39 ILE H . 10093 1 469 . 1 1 39 39 ILE HA H 1 3.864 0.030 . 1 . . . . 39 ILE HA . 10093 1 470 . 1 1 39 39 ILE HB H 1 1.978 0.030 . 1 . . . . 39 ILE HB . 10093 1 471 . 1 1 39 39 ILE HG12 H 1 1.249 0.030 . 2 . . . . 39 ILE HG12 . 10093 1 472 . 1 1 39 39 ILE HG13 H 1 1.550 0.030 . 2 . . . . 39 ILE HG13 . 10093 1 473 . 1 1 39 39 ILE HG21 H 1 0.954 0.030 . 1 . . . . 39 ILE HG2 . 10093 1 474 . 1 1 39 39 ILE HG22 H 1 0.954 0.030 . 1 . . . . 39 ILE HG2 . 10093 1 475 . 1 1 39 39 ILE HG23 H 1 0.954 0.030 . 1 . . . . 39 ILE HG2 . 10093 1 476 . 1 1 39 39 ILE HD11 H 1 0.898 0.030 . 1 . . . . 39 ILE HD1 . 10093 1 477 . 1 1 39 39 ILE HD12 H 1 0.898 0.030 . 1 . . . . 39 ILE HD1 . 10093 1 478 . 1 1 39 39 ILE HD13 H 1 0.898 0.030 . 1 . . . . 39 ILE HD1 . 10093 1 479 . 1 1 39 39 ILE C C 13 177.511 0.300 . 1 . . . . 39 ILE C . 10093 1 480 . 1 1 39 39 ILE CA C 13 63.605 0.300 . 1 . . . . 39 ILE CA . 10093 1 481 . 1 1 39 39 ILE CB C 13 37.315 0.300 . 1 . . . . 39 ILE CB . 10093 1 482 . 1 1 39 39 ILE CG1 C 13 29.094 0.300 . 1 . . . . 39 ILE CG1 . 10093 1 483 . 1 1 39 39 ILE CG2 C 13 17.377 0.300 . 1 . . . . 39 ILE CG2 . 10093 1 484 . 1 1 39 39 ILE CD1 C 13 12.057 0.300 . 1 . . . . 39 ILE CD1 . 10093 1 485 . 1 1 39 39 ILE N N 15 120.428 0.300 . 1 . . . . 39 ILE N . 10093 1 486 . 1 1 40 40 PHE H H 1 7.895 0.030 . 1 . . . . 40 PHE H . 10093 1 487 . 1 1 40 40 PHE HA H 1 3.987 0.030 . 1 . . . . 40 PHE HA . 10093 1 488 . 1 1 40 40 PHE HB2 H 1 2.799 0.030 . 2 . . . . 40 PHE HB2 . 10093 1 489 . 1 1 40 40 PHE HB3 H 1 2.866 0.030 . 2 . . . . 40 PHE HB3 . 10093 1 490 . 1 1 40 40 PHE HD1 H 1 6.424 0.030 . 1 . . . . 40 PHE HD1 . 10093 1 491 . 1 1 40 40 PHE HD2 H 1 6.424 0.030 . 1 . . . . 40 PHE HD2 . 10093 1 492 . 1 1 40 40 PHE HE1 H 1 5.870 0.030 . 1 . . . . 40 PHE HE1 . 10093 1 493 . 1 1 40 40 PHE HE2 H 1 5.870 0.030 . 1 . . . . 40 PHE HE2 . 10093 1 494 . 1 1 40 40 PHE HZ H 1 6.370 0.030 . 1 . . . . 40 PHE HZ . 10093 1 495 . 1 1 40 40 PHE C C 13 177.729 0.300 . 1 . . . . 40 PHE C . 10093 1 496 . 1 1 40 40 PHE CA C 13 60.922 0.300 . 1 . . . . 40 PHE CA . 10093 1 497 . 1 1 40 40 PHE CB C 13 39.743 0.300 . 1 . . . . 40 PHE CB . 10093 1 498 . 1 1 40 40 PHE CD1 C 13 131.049 0.300 . 1 . . . . 40 PHE CD1 . 10093 1 499 . 1 1 40 40 PHE CD2 C 13 131.049 0.300 . 1 . . . . 40 PHE CD2 . 10093 1 500 . 1 1 40 40 PHE CE1 C 13 130.172 0.300 . 1 . . . . 40 PHE CE1 . 10093 1 501 . 1 1 40 40 PHE CE2 C 13 130.172 0.300 . 1 . . . . 40 PHE CE2 . 10093 1 502 . 1 1 40 40 PHE CZ C 13 128.236 0.300 . 1 . . . . 40 PHE CZ . 10093 1 503 . 1 1 40 40 PHE N N 15 120.992 0.300 . 1 . . . . 40 PHE N . 10093 1 504 . 1 1 41 41 GLY H H 1 8.789 0.030 . 1 . . . . 41 GLY H . 10093 1 505 . 1 1 41 41 GLY HA2 H 1 3.111 0.030 . 2 . . . . 41 GLY HA2 . 10093 1 506 . 1 1 41 41 GLY HA3 H 1 3.771 0.030 . 2 . . . . 41 GLY HA3 . 10093 1 507 . 1 1 41 41 GLY C C 13 174.610 0.300 . 1 . . . . 41 GLY C . 10093 1 508 . 1 1 41 41 GLY CA C 13 48.001 0.300 . 1 . . . . 41 GLY CA . 10093 1 509 . 1 1 41 41 GLY N N 15 105.274 0.300 . 1 . . . . 41 GLY N . 10093 1 510 . 1 1 42 42 GLU H H 1 7.972 0.030 . 1 . . . . 42 GLU H . 10093 1 511 . 1 1 42 42 GLU HA H 1 4.064 0.030 . 1 . . . . 42 GLU HA . 10093 1 512 . 1 1 42 42 GLU HB2 H 1 1.978 0.030 . 2 . . . . 42 GLU HB2 . 10093 1 513 . 1 1 42 42 GLU HB3 H 1 2.087 0.030 . 2 . . . . 42 GLU HB3 . 10093 1 514 . 1 1 42 42 GLU HG2 H 1 2.401 0.030 . 2 . . . . 42 GLU HG2 . 10093 1 515 . 1 1 42 42 GLU HG3 H 1 2.106 0.030 . 2 . . . . 42 GLU HG3 . 10093 1 516 . 1 1 42 42 GLU C C 13 178.664 0.300 . 1 . . . . 42 GLU C . 10093 1 517 . 1 1 42 42 GLU CA C 13 59.409 0.300 . 1 . . . . 42 GLU CA . 10093 1 518 . 1 1 42 42 GLU CB C 13 30.969 0.300 . 1 . . . . 42 GLU CB . 10093 1 519 . 1 1 42 42 GLU CG C 13 36.412 0.300 . 1 . . . . 42 GLU CG . 10093 1 520 . 1 1 42 42 GLU N N 15 120.415 0.300 . 1 . . . . 42 GLU N . 10093 1 521 . 1 1 43 43 LYS H H 1 8.653 0.030 . 1 . . . . 43 LYS H . 10093 1 522 . 1 1 43 43 LYS HA H 1 4.137 0.030 . 1 . . . . 43 LYS HA . 10093 1 523 . 1 1 43 43 LYS HB2 H 1 1.795 0.030 . 2 . . . . 43 LYS HB2 . 10093 1 524 . 1 1 43 43 LYS HB3 H 1 1.893 0.030 . 2 . . . . 43 LYS HB3 . 10093 1 525 . 1 1 43 43 LYS HG2 H 1 1.437 0.030 . 2 . . . . 43 LYS HG2 . 10093 1 526 . 1 1 43 43 LYS HG3 H 1 1.567 0.030 . 2 . . . . 43 LYS HG3 . 10093 1 527 . 1 1 43 43 LYS HD2 H 1 1.617 0.030 . 1 . . . . 43 LYS HD2 . 10093 1 528 . 1 1 43 43 LYS HD3 H 1 1.617 0.030 . 1 . . . . 43 LYS HD3 . 10093 1 529 . 1 1 43 43 LYS HE2 H 1 2.930 0.030 . 2 . . . . 43 LYS HE2 . 10093 1 530 . 1 1 43 43 LYS HE3 H 1 2.986 0.030 . 2 . . . . 43 LYS HE3 . 10093 1 531 . 1 1 43 43 LYS C C 13 177.729 0.300 . 1 . . . . 43 LYS C . 10093 1 532 . 1 1 43 43 LYS CA C 13 57.864 0.300 . 1 . . . . 43 LYS CA . 10093 1 533 . 1 1 43 43 LYS CB C 13 33.028 0.300 . 1 . . . . 43 LYS CB . 10093 1 534 . 1 1 43 43 LYS CG C 13 25.357 0.300 . 1 . . . . 43 LYS CG . 10093 1 535 . 1 1 43 43 LYS CD C 13 28.610 0.300 . 1 . . . . 43 LYS CD . 10093 1 536 . 1 1 43 43 LYS CE C 13 42.173 0.300 . 1 . . . . 43 LYS CE . 10093 1 537 . 1 1 43 43 LYS N N 15 115.425 0.300 . 1 . . . . 43 LYS N . 10093 1 538 . 1 1 44 44 VAL H H 1 7.716 0.030 . 1 . . . . 44 VAL H . 10093 1 539 . 1 1 44 44 VAL HA H 1 3.857 0.030 . 1 . . . . 44 VAL HA . 10093 1 540 . 1 1 44 44 VAL HB H 1 1.164 0.030 . 1 . . . . 44 VAL HB . 10093 1 541 . 1 1 44 44 VAL HG11 H 1 0.398 0.030 . 1 . . . . 44 VAL HG1 . 10093 1 542 . 1 1 44 44 VAL HG12 H 1 0.398 0.030 . 1 . . . . 44 VAL HG1 . 10093 1 543 . 1 1 44 44 VAL HG13 H 1 0.398 0.030 . 1 . . . . 44 VAL HG1 . 10093 1 544 . 1 1 44 44 VAL HG21 H 1 0.644 0.030 . 1 . . . . 44 VAL HG2 . 10093 1 545 . 1 1 44 44 VAL HG22 H 1 0.644 0.030 . 1 . . . . 44 VAL HG2 . 10093 1 546 . 1 1 44 44 VAL HG23 H 1 0.644 0.030 . 1 . . . . 44 VAL HG2 . 10093 1 547 . 1 1 44 44 VAL C C 13 176.964 0.300 . 1 . . . . 44 VAL C . 10093 1 548 . 1 1 44 44 VAL CA C 13 64.385 0.300 . 1 . . . . 44 VAL CA . 10093 1 549 . 1 1 44 44 VAL CB C 13 31.010 0.300 . 1 . . . . 44 VAL CB . 10093 1 550 . 1 1 44 44 VAL CG1 C 13 20.995 0.300 . 2 . . . . 44 VAL CG1 . 10093 1 551 . 1 1 44 44 VAL CG2 C 13 21.703 0.300 . 2 . . . . 44 VAL CG2 . 10093 1 552 . 1 1 44 44 VAL N N 15 116.884 0.300 . 1 . . . . 44 VAL N . 10093 1 553 . 1 1 45 45 LEU H H 1 6.656 0.030 . 1 . . . . 45 LEU H . 10093 1 554 . 1 1 45 45 LEU HA H 1 4.103 0.030 . 1 . . . . 45 LEU HA . 10093 1 555 . 1 1 45 45 LEU HB2 H 1 1.218 0.030 . 2 . . . . 45 LEU HB2 . 10093 1 556 . 1 1 45 45 LEU HB3 H 1 1.859 0.030 . 2 . . . . 45 LEU HB3 . 10093 1 557 . 1 1 45 45 LEU HG H 1 0.681 0.030 . 1 . . . . 45 LEU HG . 10093 1 558 . 1 1 45 45 LEU HD11 H 1 0.590 0.030 . 1 . . . . 45 LEU HD1 . 10093 1 559 . 1 1 45 45 LEU HD12 H 1 0.590 0.030 . 1 . . . . 45 LEU HD1 . 10093 1 560 . 1 1 45 45 LEU HD13 H 1 0.590 0.030 . 1 . . . . 45 LEU HD1 . 10093 1 561 . 1 1 45 45 LEU HD21 H 1 0.506 0.030 . 1 . . . . 45 LEU HD2 . 10093 1 562 . 1 1 45 45 LEU HD22 H 1 0.506 0.030 . 1 . . . . 45 LEU HD2 . 10093 1 563 . 1 1 45 45 LEU HD23 H 1 0.506 0.030 . 1 . . . . 45 LEU HD2 . 10093 1 564 . 1 1 45 45 LEU C C 13 176.928 0.300 . 1 . . . . 45 LEU C . 10093 1 565 . 1 1 45 45 LEU CA C 13 55.083 0.300 . 1 . . . . 45 LEU CA . 10093 1 566 . 1 1 45 45 LEU CB C 13 41.968 0.300 . 1 . . . . 45 LEU CB . 10093 1 567 . 1 1 45 45 LEU CG C 13 26.064 0.300 . 1 . . . . 45 LEU CG . 10093 1 568 . 1 1 45 45 LEU CD1 C 13 26.822 0.300 . 2 . . . . 45 LEU CD1 . 10093 1 569 . 1 1 45 45 LEU CD2 C 13 23.029 0.300 . 2 . . . . 45 LEU CD2 . 10093 1 570 . 1 1 45 45 LEU N N 15 113.280 0.300 . 1 . . . . 45 LEU N . 10093 1 571 . 1 1 46 46 GLY H H 1 7.263 0.030 . 1 . . . . 46 GLY H . 10093 1 572 . 1 1 46 46 GLY HA2 H 1 3.805 0.030 . 2 . . . . 46 GLY HA2 . 10093 1 573 . 1 1 46 46 GLY HA3 H 1 3.917 0.030 . 2 . . . . 46 GLY HA3 . 10093 1 574 . 1 1 46 46 GLY C C 13 174.366 0.300 . 1 . . . . 46 GLY C . 10093 1 575 . 1 1 46 46 GLY CA C 13 46.822 0.300 . 1 . . . . 46 GLY CA . 10093 1 576 . 1 1 46 46 GLY N N 15 108.363 0.300 . 1 . . . . 46 GLY N . 10093 1 577 . 1 1 47 47 LEU H H 1 7.624 0.030 . 1 . . . . 47 LEU H . 10093 1 578 . 1 1 47 47 LEU HA H 1 4.587 0.030 . 1 . . . . 47 LEU HA . 10093 1 579 . 1 1 47 47 LEU HB2 H 1 1.161 0.030 . 2 . . . . 47 LEU HB2 . 10093 1 580 . 1 1 47 47 LEU HB3 H 1 1.422 0.030 . 2 . . . . 47 LEU HB3 . 10093 1 581 . 1 1 47 47 LEU HG H 1 1.390 0.030 . 1 . . . . 47 LEU HG . 10093 1 582 . 1 1 47 47 LEU HD11 H 1 0.648 0.030 . 1 . . . . 47 LEU HD1 . 10093 1 583 . 1 1 47 47 LEU HD12 H 1 0.648 0.030 . 1 . . . . 47 LEU HD1 . 10093 1 584 . 1 1 47 47 LEU HD13 H 1 0.648 0.030 . 1 . . . . 47 LEU HD1 . 10093 1 585 . 1 1 47 47 LEU HD21 H 1 0.790 0.030 . 1 . . . . 47 LEU HD2 . 10093 1 586 . 1 1 47 47 LEU HD22 H 1 0.790 0.030 . 1 . . . . 47 LEU HD2 . 10093 1 587 . 1 1 47 47 LEU HD23 H 1 0.790 0.030 . 1 . . . . 47 LEU HD2 . 10093 1 588 . 1 1 47 47 LEU C C 13 176.406 0.300 . 1 . . . . 47 LEU C . 10093 1 589 . 1 1 47 47 LEU CA C 13 53.236 0.300 . 1 . . . . 47 LEU CA . 10093 1 590 . 1 1 47 47 LEU CB C 13 46.129 0.300 . 1 . . . . 47 LEU CB . 10093 1 591 . 1 1 47 47 LEU CG C 13 26.141 0.300 . 1 . . . . 47 LEU CG . 10093 1 592 . 1 1 47 47 LEU CD1 C 13 26.306 0.300 . 2 . . . . 47 LEU CD1 . 10093 1 593 . 1 1 47 47 LEU CD2 C 13 22.614 0.300 . 2 . . . . 47 LEU CD2 . 10093 1 594 . 1 1 47 47 LEU N N 15 119.011 0.300 . 1 . . . . 47 LEU N . 10093 1 595 . 1 1 48 48 SER H H 1 8.327 0.030 . 1 . . . . 48 SER H . 10093 1 596 . 1 1 48 48 SER HA H 1 4.366 0.030 . 1 . . . . 48 SER HA . 10093 1 597 . 1 1 48 48 SER HB2 H 1 3.984 0.030 . 2 . . . . 48 SER HB2 . 10093 1 598 . 1 1 48 48 SER HB3 H 1 4.131 0.030 . 2 . . . . 48 SER HB3 . 10093 1 599 . 1 1 48 48 SER C C 13 174.913 0.300 . 1 . . . . 48 SER C . 10093 1 600 . 1 1 48 48 SER CA C 13 57.667 0.300 . 1 . . . . 48 SER CA . 10093 1 601 . 1 1 48 48 SER CB C 13 64.666 0.300 . 1 . . . . 48 SER CB . 10093 1 602 . 1 1 48 48 SER N N 15 115.361 0.300 . 1 . . . . 48 SER N . 10093 1 603 . 1 1 49 49 GLN H H 1 8.837 0.030 . 1 . . . . 49 GLN H . 10093 1 604 . 1 1 49 49 GLN HA H 1 4.023 0.030 . 1 . . . . 49 GLN HA . 10093 1 605 . 1 1 49 49 GLN HB2 H 1 2.048 0.030 . 1 . . . . 49 GLN HB2 . 10093 1 606 . 1 1 49 49 GLN HB3 H 1 2.048 0.030 . 1 . . . . 49 GLN HB3 . 10093 1 607 . 1 1 49 49 GLN HG2 H 1 2.350 0.030 . 1 . . . . 49 GLN HG2 . 10093 1 608 . 1 1 49 49 GLN HG3 H 1 2.350 0.030 . 1 . . . . 49 GLN HG3 . 10093 1 609 . 1 1 49 49 GLN HE21 H 1 7.518 0.030 . 2 . . . . 49 GLN HE21 . 10093 1 610 . 1 1 49 49 GLN HE22 H 1 6.881 0.030 . 2 . . . . 49 GLN HE22 . 10093 1 611 . 1 1 49 49 GLN C C 13 178.082 0.300 . 1 . . . . 49 GLN C . 10093 1 612 . 1 1 49 49 GLN CA C 13 58.894 0.300 . 1 . . . . 49 GLN CA . 10093 1 613 . 1 1 49 49 GLN CB C 13 28.703 0.300 . 1 . . . . 49 GLN CB . 10093 1 614 . 1 1 49 49 GLN CG C 13 33.586 0.300 . 1 . . . . 49 GLN CG . 10093 1 615 . 1 1 49 49 GLN N N 15 121.294 0.300 . 1 . . . . 49 GLN N . 10093 1 616 . 1 1 49 49 GLN NE2 N 15 112.692 0.300 . 1 . . . . 49 GLN NE2 . 10093 1 617 . 1 1 50 50 GLY H H 1 8.842 0.030 . 1 . . . . 50 GLY H . 10093 1 618 . 1 1 50 50 GLY HA2 H 1 3.929 0.030 . 2 . . . . 50 GLY HA2 . 10093 1 619 . 1 1 50 50 GLY HA3 H 1 3.807 0.030 . 2 . . . . 50 GLY HA3 . 10093 1 620 . 1 1 50 50 GLY C C 13 175.884 0.300 . 1 . . . . 50 GLY C . 10093 1 621 . 1 1 50 50 GLY CA C 13 46.507 0.300 . 1 . . . . 50 GLY CA . 10093 1 622 . 1 1 50 50 GLY N N 15 108.638 0.300 . 1 . . . . 50 GLY N . 10093 1 623 . 1 1 51 51 SER H H 1 7.699 0.030 . 1 . . . . 51 SER H . 10093 1 624 . 1 1 51 51 SER HA H 1 4.400 0.030 . 1 . . . . 51 SER HA . 10093 1 625 . 1 1 51 51 SER HB2 H 1 3.837 0.030 . 2 . . . . 51 SER HB2 . 10093 1 626 . 1 1 51 51 SER HB3 H 1 3.907 0.030 . 2 . . . . 51 SER HB3 . 10093 1 627 . 1 1 51 51 SER C C 13 176.709 0.300 . 1 . . . . 51 SER C . 10093 1 628 . 1 1 51 51 SER CA C 13 60.837 0.300 . 1 . . . . 51 SER CA . 10093 1 629 . 1 1 51 51 SER CB C 13 63.348 0.300 . 1 . . . . 51 SER CB . 10093 1 630 . 1 1 51 51 SER N N 15 117.150 0.300 . 1 . . . . 51 SER N . 10093 1 631 . 1 1 52 52 VAL H H 1 8.274 0.030 . 1 . . . . 52 VAL H . 10093 1 632 . 1 1 52 52 VAL HA H 1 3.610 0.030 . 1 . . . . 52 VAL HA . 10093 1 633 . 1 1 52 52 VAL HB H 1 2.031 0.030 . 1 . . . . 52 VAL HB . 10093 1 634 . 1 1 52 52 VAL HG11 H 1 0.922 0.030 . 1 . . . . 52 VAL HG1 . 10093 1 635 . 1 1 52 52 VAL HG12 H 1 0.922 0.030 . 1 . . . . 52 VAL HG1 . 10093 1 636 . 1 1 52 52 VAL HG13 H 1 0.922 0.030 . 1 . . . . 52 VAL HG1 . 10093 1 637 . 1 1 52 52 VAL HG21 H 1 0.885 0.030 . 1 . . . . 52 VAL HG2 . 10093 1 638 . 1 1 52 52 VAL HG22 H 1 0.885 0.030 . 1 . . . . 52 VAL HG2 . 10093 1 639 . 1 1 52 52 VAL HG23 H 1 0.885 0.030 . 1 . . . . 52 VAL HG2 . 10093 1 640 . 1 1 52 52 VAL C C 13 176.272 0.300 . 1 . . . . 52 VAL C . 10093 1 641 . 1 1 52 52 VAL CA C 13 65.928 0.300 . 1 . . . . 52 VAL CA . 10093 1 642 . 1 1 52 52 VAL CB C 13 31.463 0.300 . 1 . . . . 52 VAL CB . 10093 1 643 . 1 1 52 52 VAL CG1 C 13 21.117 0.300 . 2 . . . . 52 VAL CG1 . 10093 1 644 . 1 1 52 52 VAL CG2 C 13 23.861 0.300 . 2 . . . . 52 VAL CG2 . 10093 1 645 . 1 1 52 52 VAL N N 15 122.496 0.300 . 1 . . . . 52 VAL N . 10093 1 646 . 1 1 53 53 SER H H 1 8.177 0.030 . 1 . . . . 53 SER H . 10093 1 647 . 1 1 53 53 SER HA H 1 4.145 0.030 . 1 . . . . 53 SER HA . 10093 1 648 . 1 1 53 53 SER HB2 H 1 3.965 0.030 . 1 . . . . 53 SER HB2 . 10093 1 649 . 1 1 53 53 SER HB3 H 1 3.965 0.030 . 1 . . . . 53 SER HB3 . 10093 1 650 . 1 1 53 53 SER C C 13 177.705 0.300 . 1 . . . . 53 SER C . 10093 1 651 . 1 1 53 53 SER CA C 13 61.440 0.300 . 1 . . . . 53 SER CA . 10093 1 652 . 1 1 53 53 SER CB C 13 62.647 0.300 . 1 . . . . 53 SER CB . 10093 1 653 . 1 1 53 53 SER N N 15 115.423 0.300 . 1 . . . . 53 SER N . 10093 1 654 . 1 1 54 54 ASP H H 1 7.796 0.030 . 1 . . . . 54 ASP H . 10093 1 655 . 1 1 54 54 ASP HA H 1 4.366 0.030 . 1 . . . . 54 ASP HA . 10093 1 656 . 1 1 54 54 ASP HB2 H 1 2.725 0.030 . 1 . . . . 54 ASP HB2 . 10093 1 657 . 1 1 54 54 ASP HB3 H 1 2.725 0.030 . 1 . . . . 54 ASP HB3 . 10093 1 658 . 1 1 54 54 ASP C C 13 177.377 0.300 . 1 . . . . 54 ASP C . 10093 1 659 . 1 1 54 54 ASP CA C 13 57.664 0.300 . 1 . . . . 54 ASP CA . 10093 1 660 . 1 1 54 54 ASP CB C 13 41.679 0.300 . 1 . . . . 54 ASP CB . 10093 1 661 . 1 1 54 54 ASP N N 15 121.294 0.300 . 1 . . . . 54 ASP N . 10093 1 662 . 1 1 55 55 MET H H 1 7.662 0.030 . 1 . . . . 55 MET H . 10093 1 663 . 1 1 55 55 MET HA H 1 4.091 0.030 . 1 . . . . 55 MET HA . 10093 1 664 . 1 1 55 55 MET HB2 H 1 1.848 0.030 . 2 . . . . 55 MET HB2 . 10093 1 665 . 1 1 55 55 MET HB3 H 1 2.100 0.030 . 2 . . . . 55 MET HB3 . 10093 1 666 . 1 1 55 55 MET HG2 H 1 2.419 0.030 . 2 . . . . 55 MET HG2 . 10093 1 667 . 1 1 55 55 MET HG3 H 1 2.553 0.030 . 2 . . . . 55 MET HG3 . 10093 1 668 . 1 1 55 55 MET HE1 H 1 1.699 0.030 . 1 . . . . 55 MET HE . 10093 1 669 . 1 1 55 55 MET HE2 H 1 1.699 0.030 . 1 . . . . 55 MET HE . 10093 1 670 . 1 1 55 55 MET HE3 H 1 1.699 0.030 . 1 . . . . 55 MET HE . 10093 1 671 . 1 1 55 55 MET C C 13 175.787 0.300 . 1 . . . . 55 MET C . 10093 1 672 . 1 1 55 55 MET CA C 13 59.298 0.300 . 1 . . . . 55 MET CA . 10093 1 673 . 1 1 55 55 MET CB C 13 33.852 0.300 . 1 . . . . 55 MET CB . 10093 1 674 . 1 1 55 55 MET CG C 13 32.256 0.300 . 1 . . . . 55 MET CG . 10093 1 675 . 1 1 55 55 MET CE C 13 17.167 0.300 . 1 . . . . 55 MET CE . 10093 1 676 . 1 1 55 55 MET N N 15 118.513 0.300 . 1 . . . . 55 MET N . 10093 1 677 . 1 1 56 56 LEU H H 1 7.821 0.030 . 1 . . . . 56 LEU H . 10093 1 678 . 1 1 56 56 LEU HA H 1 4.286 0.030 . 1 . . . . 56 LEU HA . 10093 1 679 . 1 1 56 56 LEU HB2 H 1 1.301 0.030 . 2 . . . . 56 LEU HB2 . 10093 1 680 . 1 1 56 56 LEU HB3 H 1 1.834 0.030 . 2 . . . . 56 LEU HB3 . 10093 1 681 . 1 1 56 56 LEU HG H 1 1.850 0.030 . 1 . . . . 56 LEU HG . 10093 1 682 . 1 1 56 56 LEU HD11 H 1 0.680 0.030 . 1 . . . . 56 LEU HD1 . 10093 1 683 . 1 1 56 56 LEU HD12 H 1 0.680 0.030 . 1 . . . . 56 LEU HD1 . 10093 1 684 . 1 1 56 56 LEU HD13 H 1 0.680 0.030 . 1 . . . . 56 LEU HD1 . 10093 1 685 . 1 1 56 56 LEU HD21 H 1 0.797 0.030 . 1 . . . . 56 LEU HD2 . 10093 1 686 . 1 1 56 56 LEU HD22 H 1 0.797 0.030 . 1 . . . . 56 LEU HD2 . 10093 1 687 . 1 1 56 56 LEU HD23 H 1 0.797 0.030 . 1 . . . . 56 LEU HD2 . 10093 1 688 . 1 1 56 56 LEU C C 13 178.057 0.300 . 1 . . . . 56 LEU C . 10093 1 689 . 1 1 56 56 LEU CA C 13 56.098 0.300 . 1 . . . . 56 LEU CA . 10093 1 690 . 1 1 56 56 LEU CB C 13 41.803 0.300 . 1 . . . . 56 LEU CB . 10093 1 691 . 1 1 56 56 LEU CG C 13 27.269 0.300 . 1 . . . . 56 LEU CG . 10093 1 692 . 1 1 56 56 LEU CD1 C 13 25.523 0.300 . 2 . . . . 56 LEU CD1 . 10093 1 693 . 1 1 56 56 LEU CD2 C 13 23.112 0.300 . 2 . . . . 56 LEU CD2 . 10093 1 694 . 1 1 56 56 LEU N N 15 110.135 0.300 . 1 . . . . 56 LEU N . 10093 1 695 . 1 1 57 57 SER H H 1 7.809 0.030 . 1 . . . . 57 SER H . 10093 1 696 . 1 1 57 57 SER HA H 1 4.538 0.030 . 1 . . . . 57 SER HA . 10093 1 697 . 1 1 57 57 SER HB2 H 1 3.939 0.030 . 1 . . . . 57 SER HB2 . 10093 1 698 . 1 1 57 57 SER HB3 H 1 3.939 0.030 . 1 . . . . 57 SER HB3 . 10093 1 699 . 1 1 57 57 SER C C 13 175.058 0.300 . 1 . . . . 57 SER C . 10093 1 700 . 1 1 57 57 SER CA C 13 59.851 0.300 . 1 . . . . 57 SER CA . 10093 1 701 . 1 1 57 57 SER CB C 13 64.414 0.300 . 1 . . . . 57 SER CB . 10093 1 702 . 1 1 57 57 SER N N 15 112.042 0.300 . 1 . . . . 57 SER N . 10093 1 703 . 1 1 58 58 ARG H H 1 8.169 0.030 . 1 . . . . 58 ARG H . 10093 1 704 . 1 1 58 58 ARG HA H 1 4.759 0.030 . 1 . . . . 58 ARG HA . 10093 1 705 . 1 1 58 58 ARG HB2 H 1 1.732 0.030 . 2 . . . . 58 ARG HB2 . 10093 1 706 . 1 1 58 58 ARG HB3 H 1 1.845 0.030 . 2 . . . . 58 ARG HB3 . 10093 1 707 . 1 1 58 58 ARG HG2 H 1 1.569 0.030 . 1 . . . . 58 ARG HG2 . 10093 1 708 . 1 1 58 58 ARG HG3 H 1 1.569 0.030 . 1 . . . . 58 ARG HG3 . 10093 1 709 . 1 1 58 58 ARG HD2 H 1 3.209 0.030 . 1 . . . . 58 ARG HD2 . 10093 1 710 . 1 1 58 58 ARG HD3 H 1 3.209 0.030 . 1 . . . . 58 ARG HD3 . 10093 1 711 . 1 1 58 58 ARG HE H 1 7.274 0.030 . 1 . . . . 58 ARG HE . 10093 1 712 . 1 1 58 58 ARG C C 13 172.425 0.300 . 1 . . . . 58 ARG C . 10093 1 713 . 1 1 58 58 ARG CA C 13 53.750 0.300 . 1 . . . . 58 ARG CA . 10093 1 714 . 1 1 58 58 ARG CB C 13 30.427 0.300 . 1 . . . . 58 ARG CB . 10093 1 715 . 1 1 58 58 ARG CG C 13 26.794 0.300 . 1 . . . . 58 ARG CG . 10093 1 716 . 1 1 58 58 ARG CD C 13 43.356 0.300 . 1 . . . . 58 ARG CD . 10093 1 717 . 1 1 58 58 ARG N N 15 121.109 0.300 . 1 . . . . 58 ARG N . 10093 1 718 . 1 1 58 58 ARG NE N 15 84.923 0.300 . 1 . . . . 58 ARG NE . 10093 1 719 . 1 1 59 59 PRO HA H 1 4.709 0.030 . 1 . . . . 59 PRO HA . 10093 1 720 . 1 1 59 59 PRO HB2 H 1 1.813 0.030 . 2 . . . . 59 PRO HB2 . 10093 1 721 . 1 1 59 59 PRO HB3 H 1 2.844 0.030 . 2 . . . . 59 PRO HB3 . 10093 1 722 . 1 1 59 59 PRO HG2 H 1 1.914 0.030 . 2 . . . . 59 PRO HG2 . 10093 1 723 . 1 1 59 59 PRO HG3 H 1 2.198 0.030 . 2 . . . . 59 PRO HG3 . 10093 1 724 . 1 1 59 59 PRO HD2 H 1 3.387 0.030 . 2 . . . . 59 PRO HD2 . 10093 1 725 . 1 1 59 59 PRO HD3 H 1 3.451 0.030 . 2 . . . . 59 PRO HD3 . 10093 1 726 . 1 1 59 59 PRO C C 13 177.984 0.300 . 1 . . . . 59 PRO C . 10093 1 727 . 1 1 59 59 PRO CA C 13 63.348 0.300 . 1 . . . . 59 PRO CA . 10093 1 728 . 1 1 59 59 PRO CB C 13 31.257 0.300 . 1 . . . . 59 PRO CB . 10093 1 729 . 1 1 59 59 PRO CG C 13 27.186 0.300 . 1 . . . . 59 PRO CG . 10093 1 730 . 1 1 59 59 PRO CD C 13 50.045 0.300 . 1 . . . . 59 PRO CD . 10093 1 731 . 1 1 60 60 LYS H H 1 8.504 0.030 . 1 . . . . 60 LYS H . 10093 1 732 . 1 1 60 60 LYS HA H 1 4.463 0.030 . 1 . . . . 60 LYS HA . 10093 1 733 . 1 1 60 60 LYS HB2 H 1 1.638 0.030 . 1 . . . . 60 LYS HB2 . 10093 1 734 . 1 1 60 60 LYS HB3 H 1 1.638 0.030 . 1 . . . . 60 LYS HB3 . 10093 1 735 . 1 1 60 60 LYS HG2 H 1 1.559 0.030 . 2 . . . . 60 LYS HG2 . 10093 1 736 . 1 1 60 60 LYS HG3 H 1 1.719 0.030 . 2 . . . . 60 LYS HG3 . 10093 1 737 . 1 1 60 60 LYS HD2 H 1 1.700 0.030 . 2 . . . . 60 LYS HD2 . 10093 1 738 . 1 1 60 60 LYS HD3 H 1 1.668 0.030 . 2 . . . . 60 LYS HD3 . 10093 1 739 . 1 1 60 60 LYS HE2 H 1 3.033 0.030 . 1 . . . . 60 LYS HE2 . 10093 1 740 . 1 1 60 60 LYS HE3 H 1 3.033 0.030 . 1 . . . . 60 LYS HE3 . 10093 1 741 . 1 1 60 60 LYS C C 13 174.367 0.300 . 1 . . . . 60 LYS C . 10093 1 742 . 1 1 60 60 LYS CA C 13 54.821 0.300 . 1 . . . . 60 LYS CA . 10093 1 743 . 1 1 60 60 LYS CB C 13 32.246 0.300 . 1 . . . . 60 LYS CB . 10093 1 744 . 1 1 60 60 LYS CG C 13 25.885 0.300 . 1 . . . . 60 LYS CG . 10093 1 745 . 1 1 60 60 LYS CD C 13 29.458 0.300 . 1 . . . . 60 LYS CD . 10093 1 746 . 1 1 60 60 LYS CE C 13 42.415 0.300 . 1 . . . . 60 LYS CE . 10093 1 747 . 1 1 60 60 LYS N N 15 123.979 0.300 . 1 . . . . 60 LYS N . 10093 1 748 . 1 1 61 61 PRO HA H 1 4.497 0.030 . 1 . . . . 61 PRO HA . 10093 1 749 . 1 1 61 61 PRO HB2 H 1 1.859 0.030 . 2 . . . . 61 PRO HB2 . 10093 1 750 . 1 1 61 61 PRO HB3 H 1 2.466 0.030 . 2 . . . . 61 PRO HB3 . 10093 1 751 . 1 1 61 61 PRO HG2 H 1 1.993 0.030 . 2 . . . . 61 PRO HG2 . 10093 1 752 . 1 1 61 61 PRO HG3 H 1 2.075 0.030 . 2 . . . . 61 PRO HG3 . 10093 1 753 . 1 1 61 61 PRO HD2 H 1 3.425 0.030 . 2 . . . . 61 PRO HD2 . 10093 1 754 . 1 1 61 61 PRO HD3 H 1 3.890 0.030 . 2 . . . . 61 PRO HD3 . 10093 1 755 . 1 1 61 61 PRO C C 13 177.207 0.300 . 1 . . . . 61 PRO C . 10093 1 756 . 1 1 61 61 PRO CA C 13 62.383 0.300 . 1 . . . . 61 PRO CA . 10093 1 757 . 1 1 61 61 PRO CB C 13 32.246 0.300 . 1 . . . . 61 PRO CB . 10093 1 758 . 1 1 61 61 PRO CG C 13 27.762 0.300 . 1 . . . . 61 PRO CG . 10093 1 759 . 1 1 61 61 PRO CD C 13 50.487 0.300 . 1 . . . . 61 PRO CD . 10093 1 760 . 1 1 62 62 TRP H H 1 9.306 0.030 . 1 . . . . 62 TRP H . 10093 1 761 . 1 1 62 62 TRP HA H 1 4.077 0.030 . 1 . . . . 62 TRP HA . 10093 1 762 . 1 1 62 62 TRP HB2 H 1 3.345 0.030 . 2 . . . . 62 TRP HB2 . 10093 1 763 . 1 1 62 62 TRP HB3 H 1 3.709 0.030 . 2 . . . . 62 TRP HB3 . 10093 1 764 . 1 1 62 62 TRP HD1 H 1 7.263 0.030 . 1 . . . . 62 TRP HD1 . 10093 1 765 . 1 1 62 62 TRP HE1 H 1 10.143 0.030 . 1 . . . . 62 TRP HE1 . 10093 1 766 . 1 1 62 62 TRP HE3 H 1 7.101 0.030 . 1 . . . . 62 TRP HE3 . 10093 1 767 . 1 1 62 62 TRP HZ2 H 1 7.499 0.030 . 1 . . . . 62 TRP HZ2 . 10093 1 768 . 1 1 62 62 TRP HH2 H 1 7.084 0.030 . 1 . . . . 62 TRP HH2 . 10093 1 769 . 1 1 62 62 TRP C C 13 179.101 0.300 . 1 . . . . 62 TRP C . 10093 1 770 . 1 1 62 62 TRP CA C 13 60.775 0.300 . 1 . . . . 62 TRP CA . 10093 1 771 . 1 1 62 62 TRP CB C 13 30.927 0.300 . 1 . . . . 62 TRP CB . 10093 1 772 . 1 1 62 62 TRP CD1 C 13 127.578 0.300 . 1 . . . . 62 TRP CD1 . 10093 1 773 . 1 1 62 62 TRP CE3 C 13 120.330 0.300 . 1 . . . . 62 TRP CE3 . 10093 1 774 . 1 1 62 62 TRP CZ2 C 13 115.789 0.300 . 1 . . . . 62 TRP CZ2 . 10093 1 775 . 1 1 62 62 TRP CZ3 C 13 120.875 0.300 . 1 . . . . 62 TRP CZ3 . 10093 1 776 . 1 1 62 62 TRP CH2 C 13 124.417 0.300 . 1 . . . . 62 TRP CH2 . 10093 1 777 . 1 1 62 62 TRP N N 15 124.740 0.300 . 1 . . . . 62 TRP N . 10093 1 778 . 1 1 62 62 TRP NE1 N 15 130.263 0.300 . 1 . . . . 62 TRP NE1 . 10093 1 779 . 1 1 63 63 SER H H 1 8.739 0.030 . 1 . . . . 63 SER H . 10093 1 780 . 1 1 63 63 SER HA H 1 4.080 0.030 . 1 . . . . 63 SER HA . 10093 1 781 . 1 1 63 63 SER HB2 H 1 4.014 0.030 . 2 . . . . 63 SER HB2 . 10093 1 782 . 1 1 63 63 SER HB3 H 1 4.092 0.030 . 2 . . . . 63 SER HB3 . 10093 1 783 . 1 1 63 63 SER C C 13 175.399 0.300 . 1 . . . . 63 SER C . 10093 1 784 . 1 1 63 63 SER CA C 13 60.417 0.300 . 1 . . . . 63 SER CA . 10093 1 785 . 1 1 63 63 SER CB C 13 62.895 0.300 . 1 . . . . 63 SER CB . 10093 1 786 . 1 1 63 63 SER N N 15 109.762 0.300 . 1 . . . . 63 SER N . 10093 1 787 . 1 1 64 64 LYS H H 1 7.836 0.030 . 1 . . . . 64 LYS H . 10093 1 788 . 1 1 64 64 LYS HA H 1 4.446 0.030 . 1 . . . . 64 LYS HA . 10093 1 789 . 1 1 64 64 LYS HB2 H 1 1.699 0.030 . 2 . . . . 64 LYS HB2 . 10093 1 790 . 1 1 64 64 LYS HB3 H 1 2.088 0.030 . 2 . . . . 64 LYS HB3 . 10093 1 791 . 1 1 64 64 LYS HG2 H 1 1.390 0.030 . 2 . . . . 64 LYS HG2 . 10093 1 792 . 1 1 64 64 LYS HG3 H 1 1.513 0.030 . 2 . . . . 64 LYS HG3 . 10093 1 793 . 1 1 64 64 LYS HD2 H 1 1.585 0.030 . 2 . . . . 64 LYS HD2 . 10093 1 794 . 1 1 64 64 LYS HD3 H 1 1.658 0.030 . 2 . . . . 64 LYS HD3 . 10093 1 795 . 1 1 64 64 LYS HE2 H 1 2.959 0.030 . 1 . . . . 64 LYS HE2 . 10093 1 796 . 1 1 64 64 LYS HE3 H 1 2.959 0.030 . 1 . . . . 64 LYS HE3 . 10093 1 797 . 1 1 64 64 LYS C C 13 175.969 0.300 . 1 . . . . 64 LYS C . 10093 1 798 . 1 1 64 64 LYS CA C 13 55.096 0.300 . 1 . . . . 64 LYS CA . 10093 1 799 . 1 1 64 64 LYS CB C 13 32.905 0.300 . 1 . . . . 64 LYS CB . 10093 1 800 . 1 1 64 64 LYS CG C 13 25.107 0.300 . 1 . . . . 64 LYS CG . 10093 1 801 . 1 1 64 64 LYS CD C 13 28.489 0.300 . 1 . . . . 64 LYS CD . 10093 1 802 . 1 1 64 64 LYS CE C 13 42.052 0.300 . 1 . . . . 64 LYS CE . 10093 1 803 . 1 1 64 64 LYS N N 15 119.919 0.300 . 1 . . . . 64 LYS N . 10093 1 804 . 1 1 65 65 LEU H H 1 7.169 0.030 . 1 . . . . 65 LEU H . 10093 1 805 . 1 1 65 65 LEU HA H 1 4.526 0.030 . 1 . . . . 65 LEU HA . 10093 1 806 . 1 1 65 65 LEU HB2 H 1 1.104 0.030 . 2 . . . . 65 LEU HB2 . 10093 1 807 . 1 1 65 65 LEU HB3 H 1 1.424 0.030 . 2 . . . . 65 LEU HB3 . 10093 1 808 . 1 1 65 65 LEU HG H 1 1.598 0.030 . 1 . . . . 65 LEU HG . 10093 1 809 . 1 1 65 65 LEU HD11 H 1 0.600 0.030 . 1 . . . . 65 LEU HD1 . 10093 1 810 . 1 1 65 65 LEU HD12 H 1 0.600 0.030 . 1 . . . . 65 LEU HD1 . 10093 1 811 . 1 1 65 65 LEU HD13 H 1 0.600 0.030 . 1 . . . . 65 LEU HD1 . 10093 1 812 . 1 1 65 65 LEU HD21 H 1 0.862 0.030 . 1 . . . . 65 LEU HD2 . 10093 1 813 . 1 1 65 65 LEU HD22 H 1 0.862 0.030 . 1 . . . . 65 LEU HD2 . 10093 1 814 . 1 1 65 65 LEU HD23 H 1 0.862 0.030 . 1 . . . . 65 LEU HD2 . 10093 1 815 . 1 1 65 65 LEU C C 13 177.729 0.300 . 1 . . . . 65 LEU C . 10093 1 816 . 1 1 65 65 LEU CA C 13 53.677 0.300 . 1 . . . . 65 LEU CA . 10093 1 817 . 1 1 65 65 LEU CB C 13 46.005 0.300 . 1 . . . . 65 LEU CB . 10093 1 818 . 1 1 65 65 LEU CG C 13 25.337 0.300 . 1 . . . . 65 LEU CG . 10093 1 819 . 1 1 65 65 LEU CD1 C 13 27.684 0.300 . 2 . . . . 65 LEU CD1 . 10093 1 820 . 1 1 65 65 LEU CD2 C 13 24.027 0.300 . 2 . . . . 65 LEU CD2 . 10093 1 821 . 1 1 65 65 LEU N N 15 121.247 0.300 . 1 . . . . 65 LEU N . 10093 1 822 . 1 1 66 66 THR H H 1 8.068 0.030 . 1 . . . . 66 THR H . 10093 1 823 . 1 1 66 66 THR HA H 1 4.258 0.030 . 1 . . . . 66 THR HA . 10093 1 824 . 1 1 66 66 THR HB H 1 4.709 0.030 . 1 . . . . 66 THR HB . 10093 1 825 . 1 1 66 66 THR HG21 H 1 1.346 0.030 . 1 . . . . 66 THR HG2 . 10093 1 826 . 1 1 66 66 THR HG22 H 1 1.346 0.030 . 1 . . . . 66 THR HG2 . 10093 1 827 . 1 1 66 66 THR HG23 H 1 1.346 0.030 . 1 . . . . 66 THR HG2 . 10093 1 828 . 1 1 66 66 THR C C 13 174.743 0.300 . 1 . . . . 66 THR C . 10093 1 829 . 1 1 66 66 THR CA C 13 60.417 0.300 . 1 . . . . 66 THR CA . 10093 1 830 . 1 1 66 66 THR CB C 13 71.217 0.300 . 1 . . . . 66 THR CB . 10093 1 831 . 1 1 66 66 THR CG2 C 13 21.949 0.300 . 1 . . . . 66 THR CG2 . 10093 1 832 . 1 1 66 66 THR N N 15 111.917 0.300 . 1 . . . . 66 THR N . 10093 1 833 . 1 1 67 67 GLN H H 1 8.778 0.030 . 1 . . . . 67 GLN H . 10093 1 834 . 1 1 67 67 GLN HA H 1 3.759 0.030 . 1 . . . . 67 GLN HA . 10093 1 835 . 1 1 67 67 GLN HB2 H 1 2.106 0.030 . 2 . . . . 67 GLN HB2 . 10093 1 836 . 1 1 67 67 GLN HB3 H 1 2.043 0.030 . 2 . . . . 67 GLN HB3 . 10093 1 837 . 1 1 67 67 GLN HG2 H 1 2.406 0.030 . 2 . . . . 67 GLN HG2 . 10093 1 838 . 1 1 67 67 GLN HG3 H 1 2.350 0.030 . 2 . . . . 67 GLN HG3 . 10093 1 839 . 1 1 67 67 GLN HE21 H 1 7.609 0.030 . 2 . . . . 67 GLN HE21 . 10093 1 840 . 1 1 67 67 GLN HE22 H 1 6.873 0.030 . 2 . . . . 67 GLN HE22 . 10093 1 841 . 1 1 67 67 GLN C C 13 178.991 0.300 . 1 . . . . 67 GLN C . 10093 1 842 . 1 1 67 67 GLN CA C 13 60.440 0.300 . 1 . . . . 67 GLN CA . 10093 1 843 . 1 1 67 67 GLN CB C 13 27.838 0.300 . 1 . . . . 67 GLN CB . 10093 1 844 . 1 1 67 67 GLN CG C 13 33.752 0.300 . 1 . . . . 67 GLN CG . 10093 1 845 . 1 1 67 67 GLN N N 15 119.765 0.300 . 1 . . . . 67 GLN N . 10093 1 846 . 1 1 67 67 GLN NE2 N 15 111.662 0.300 . 1 . . . . 67 GLN NE2 . 10093 1 847 . 1 1 68 68 LYS H H 1 8.301 0.030 . 1 . . . . 68 LYS H . 10093 1 848 . 1 1 68 68 LYS HA H 1 4.103 0.030 . 1 . . . . 68 LYS HA . 10093 1 849 . 1 1 68 68 LYS HB2 H 1 1.714 0.030 . 2 . . . . 68 LYS HB2 . 10093 1 850 . 1 1 68 68 LYS HB3 H 1 1.786 0.030 . 2 . . . . 68 LYS HB3 . 10093 1 851 . 1 1 68 68 LYS HG2 H 1 1.445 0.030 . 1 . . . . 68 LYS HG2 . 10093 1 852 . 1 1 68 68 LYS HG3 H 1 1.445 0.030 . 1 . . . . 68 LYS HG3 . 10093 1 853 . 1 1 68 68 LYS HD2 H 1 1.679 0.030 . 1 . . . . 68 LYS HD2 . 10093 1 854 . 1 1 68 68 LYS HD3 H 1 1.679 0.030 . 1 . . . . 68 LYS HD3 . 10093 1 855 . 1 1 68 68 LYS HE2 H 1 2.969 0.030 . 1 . . . . 68 LYS HE2 . 10093 1 856 . 1 1 68 68 LYS HE3 H 1 2.969 0.030 . 1 . . . . 68 LYS HE3 . 10093 1 857 . 1 1 68 68 LYS C C 13 179.926 0.300 . 1 . . . . 68 LYS C . 10093 1 858 . 1 1 68 68 LYS CA C 13 58.804 0.300 . 1 . . . . 68 LYS CA . 10093 1 859 . 1 1 68 68 LYS CB C 13 32.122 0.300 . 1 . . . . 68 LYS CB . 10093 1 860 . 1 1 68 68 LYS CG C 13 24.941 0.300 . 1 . . . . 68 LYS CG . 10093 1 861 . 1 1 68 68 LYS CD C 13 28.610 0.300 . 1 . . . . 68 LYS CD . 10093 1 862 . 1 1 68 68 LYS CE C 13 42.052 0.300 . 1 . . . . 68 LYS CE . 10093 1 863 . 1 1 68 68 LYS N N 15 117.904 0.300 . 1 . . . . 68 LYS N . 10093 1 864 . 1 1 69 69 GLY H H 1 7.930 0.030 . 1 . . . . 69 GLY H . 10093 1 865 . 1 1 69 69 GLY HA2 H 1 3.956 0.030 . 2 . . . . 69 GLY HA2 . 10093 1 866 . 1 1 69 69 GLY HA3 H 1 3.850 0.030 . 2 . . . . 69 GLY HA3 . 10093 1 867 . 1 1 69 69 GLY C C 13 175.496 0.300 . 1 . . . . 69 GLY C . 10093 1 868 . 1 1 69 69 GLY CA C 13 46.531 0.300 . 1 . . . . 69 GLY CA . 10093 1 869 . 1 1 69 69 GLY N N 15 108.756 0.300 . 1 . . . . 69 GLY N . 10093 1 870 . 1 1 70 70 ARG H H 1 7.918 0.030 . 1 . . . . 70 ARG H . 10093 1 871 . 1 1 70 70 ARG HA H 1 4.097 0.030 . 1 . . . . 70 ARG HA . 10093 1 872 . 1 1 70 70 ARG HB2 H 1 1.652 0.030 . 1 . . . . 70 ARG HB2 . 10093 1 873 . 1 1 70 70 ARG HB3 H 1 1.652 0.030 . 1 . . . . 70 ARG HB3 . 10093 1 874 . 1 1 70 70 ARG HG2 H 1 1.388 0.030 . 2 . . . . 70 ARG HG2 . 10093 1 875 . 1 1 70 70 ARG HG3 H 1 -0.141 0.030 . 2 . . . . 70 ARG HG3 . 10093 1 876 . 1 1 70 70 ARG HD2 H 1 2.100 0.030 . 2 . . . . 70 ARG HD2 . 10093 1 877 . 1 1 70 70 ARG HD3 H 1 2.319 0.030 . 2 . . . . 70 ARG HD3 . 10093 1 878 . 1 1 70 70 ARG HE H 1 4.719 0.030 . 1 . . . . 70 ARG HE . 10093 1 879 . 1 1 70 70 ARG C C 13 178.263 0.300 . 1 . . . . 70 ARG C . 10093 1 880 . 1 1 70 70 ARG CA C 13 58.642 0.300 . 1 . . . . 70 ARG CA . 10093 1 881 . 1 1 70 70 ARG CB C 13 30.928 0.300 . 1 . . . . 70 ARG CB . 10093 1 882 . 1 1 70 70 ARG CG C 13 28.848 0.300 . 1 . . . . 70 ARG CG . 10093 1 883 . 1 1 70 70 ARG CD C 13 43.905 0.300 . 1 . . . . 70 ARG CD . 10093 1 884 . 1 1 70 70 ARG N N 15 118.379 0.300 . 1 . . . . 70 ARG N . 10093 1 885 . 1 1 71 71 GLU H H 1 7.494 0.030 . 1 . . . . 71 GLU H . 10093 1 886 . 1 1 71 71 GLU HA H 1 4.062 0.030 . 1 . . . . 71 GLU HA . 10093 1 887 . 1 1 71 71 GLU HB2 H 1 2.283 0.030 . 2 . . . . 71 GLU HB2 . 10093 1 888 . 1 1 71 71 GLU HB3 H 1 2.134 0.030 . 2 . . . . 71 GLU HB3 . 10093 1 889 . 1 1 71 71 GLU HG2 H 1 2.617 0.030 . 2 . . . . 71 GLU HG2 . 10093 1 890 . 1 1 71 71 GLU HG3 H 1 2.191 0.030 . 2 . . . . 71 GLU HG3 . 10093 1 891 . 1 1 71 71 GLU C C 13 175.265 0.300 . 1 . . . . 71 GLU C . 10093 1 892 . 1 1 71 71 GLU CA C 13 62.154 0.300 . 1 . . . . 71 GLU CA . 10093 1 893 . 1 1 71 71 GLU CB C 13 27.302 0.300 . 1 . . . . 71 GLU CB . 10093 1 894 . 1 1 71 71 GLU CG C 13 36.647 0.300 . 1 . . . . 71 GLU CG . 10093 1 895 . 1 1 71 71 GLU N N 15 119.253 0.300 . 1 . . . . 71 GLU N . 10093 1 896 . 1 1 72 72 PRO HA H 1 4.251 0.030 . 1 . . . . 72 PRO HA . 10093 1 897 . 1 1 72 72 PRO HB2 H 1 1.321 0.030 . 2 . . . . 72 PRO HB2 . 10093 1 898 . 1 1 72 72 PRO HB3 H 1 2.065 0.030 . 2 . . . . 72 PRO HB3 . 10093 1 899 . 1 1 72 72 PRO HG2 H 1 1.914 0.030 . 2 . . . . 72 PRO HG2 . 10093 1 900 . 1 1 72 72 PRO HG3 H 1 2.000 0.030 . 2 . . . . 72 PRO HG3 . 10093 1 901 . 1 1 72 72 PRO HD2 H 1 3.703 0.030 . 2 . . . . 72 PRO HD2 . 10093 1 902 . 1 1 72 72 PRO HD3 H 1 3.987 0.030 . 2 . . . . 72 PRO HD3 . 10093 1 903 . 1 1 72 72 PRO C C 13 178.494 0.300 . 1 . . . . 72 PRO C . 10093 1 904 . 1 1 72 72 PRO CA C 13 65.835 0.300 . 1 . . . . 72 PRO CA . 10093 1 905 . 1 1 72 72 PRO CB C 13 31.010 0.300 . 1 . . . . 72 PRO CB . 10093 1 906 . 1 1 72 72 PRO CG C 13 28.432 0.300 . 1 . . . . 72 PRO CG . 10093 1 907 . 1 1 72 72 PRO CD C 13 49.879 0.300 . 1 . . . . 72 PRO CD . 10093 1 908 . 1 1 73 73 PHE H H 1 7.055 0.030 . 1 . . . . 73 PHE H . 10093 1 909 . 1 1 73 73 PHE HA H 1 4.366 0.030 . 1 . . . . 73 PHE HA . 10093 1 910 . 1 1 73 73 PHE HB2 H 1 3.164 0.030 . 2 . . . . 73 PHE HB2 . 10093 1 911 . 1 1 73 73 PHE HB3 H 1 3.473 0.030 . 2 . . . . 73 PHE HB3 . 10093 1 912 . 1 1 73 73 PHE HD1 H 1 7.496 0.030 . 1 . . . . 73 PHE HD1 . 10093 1 913 . 1 1 73 73 PHE HD2 H 1 7.496 0.030 . 1 . . . . 73 PHE HD2 . 10093 1 914 . 1 1 73 73 PHE HE1 H 1 7.395 0.030 . 1 . . . . 73 PHE HE1 . 10093 1 915 . 1 1 73 73 PHE HE2 H 1 7.395 0.030 . 1 . . . . 73 PHE HE2 . 10093 1 916 . 1 1 73 73 PHE HZ H 1 7.597 0.030 . 1 . . . . 73 PHE HZ . 10093 1 917 . 1 1 73 73 PHE C C 13 178.166 0.300 . 1 . . . . 73 PHE C . 10093 1 918 . 1 1 73 73 PHE CA C 13 61.833 0.300 . 1 . . . . 73 PHE CA . 10093 1 919 . 1 1 73 73 PHE CB C 13 39.043 0.300 . 1 . . . . 73 PHE CB . 10093 1 920 . 1 1 73 73 PHE CD1 C 13 131.645 0.300 . 1 . . . . 73 PHE CD1 . 10093 1 921 . 1 1 73 73 PHE CD2 C 13 131.645 0.300 . 1 . . . . 73 PHE CD2 . 10093 1 922 . 1 1 73 73 PHE CE1 C 13 131.827 0.300 . 1 . . . . 73 PHE CE1 . 10093 1 923 . 1 1 73 73 PHE CE2 C 13 131.827 0.300 . 1 . . . . 73 PHE CE2 . 10093 1 924 . 1 1 73 73 PHE CZ C 13 130.453 0.300 . 1 . . . . 73 PHE CZ . 10093 1 925 . 1 1 73 73 PHE N N 15 114.781 0.300 . 1 . . . . 73 PHE N . 10093 1 926 . 1 1 74 74 ILE H H 1 8.223 0.030 . 1 . . . . 74 ILE H . 10093 1 927 . 1 1 74 74 ILE HA H 1 3.752 0.030 . 1 . . . . 74 ILE HA . 10093 1 928 . 1 1 74 74 ILE HB H 1 2.054 0.030 . 1 . . . . 74 ILE HB . 10093 1 929 . 1 1 74 74 ILE HG12 H 1 1.162 0.030 . 2 . . . . 74 ILE HG12 . 10093 1 930 . 1 1 74 74 ILE HG13 H 1 1.876 0.030 . 2 . . . . 74 ILE HG13 . 10093 1 931 . 1 1 74 74 ILE HG21 H 1 0.745 0.030 . 1 . . . . 74 ILE HG2 . 10093 1 932 . 1 1 74 74 ILE HG22 H 1 0.745 0.030 . 1 . . . . 74 ILE HG2 . 10093 1 933 . 1 1 74 74 ILE HG23 H 1 0.745 0.030 . 1 . . . . 74 ILE HG2 . 10093 1 934 . 1 1 74 74 ILE HD11 H 1 0.875 0.030 . 1 . . . . 74 ILE HD1 . 10093 1 935 . 1 1 74 74 ILE HD12 H 1 0.875 0.030 . 1 . . . . 74 ILE HD1 . 10093 1 936 . 1 1 74 74 ILE HD13 H 1 0.875 0.030 . 1 . . . . 74 ILE HD1 . 10093 1 937 . 1 1 74 74 ILE C C 13 178.482 0.300 . 1 . . . . 74 ILE C . 10093 1 938 . 1 1 74 74 ILE CA C 13 65.513 0.300 . 1 . . . . 74 ILE CA . 10093 1 939 . 1 1 74 74 ILE CB C 13 37.559 0.300 . 1 . . . . 74 ILE CB . 10093 1 940 . 1 1 74 74 ILE CG1 C 13 29.014 0.300 . 1 . . . . 74 ILE CG1 . 10093 1 941 . 1 1 74 74 ILE CG2 C 13 17.211 0.300 . 1 . . . . 74 ILE CG2 . 10093 1 942 . 1 1 74 74 ILE CD1 C 13 13.352 0.300 . 1 . . . . 74 ILE CD1 . 10093 1 943 . 1 1 74 74 ILE N N 15 122.589 0.300 . 1 . . . . 74 ILE N . 10093 1 944 . 1 1 75 75 ARG H H 1 8.135 0.030 . 1 . . . . 75 ARG H . 10093 1 945 . 1 1 75 75 ARG HA H 1 3.958 0.030 . 1 . . . . 75 ARG HA . 10093 1 946 . 1 1 75 75 ARG HB2 H 1 1.697 0.030 . 2 . . . . 75 ARG HB2 . 10093 1 947 . 1 1 75 75 ARG HB3 H 1 1.889 0.030 . 2 . . . . 75 ARG HB3 . 10093 1 948 . 1 1 75 75 ARG HG2 H 1 1.822 0.030 . 2 . . . . 75 ARG HG2 . 10093 1 949 . 1 1 75 75 ARG HG3 H 1 1.578 0.030 . 2 . . . . 75 ARG HG3 . 10093 1 950 . 1 1 75 75 ARG HD2 H 1 3.189 0.030 . 1 . . . . 75 ARG HD2 . 10093 1 951 . 1 1 75 75 ARG HD3 H 1 3.189 0.030 . 1 . . . . 75 ARG HD3 . 10093 1 952 . 1 1 75 75 ARG HE H 1 7.404 0.030 . 1 . . . . 75 ARG HE . 10093 1 953 . 1 1 75 75 ARG C C 13 179.417 0.300 . 1 . . . . 75 ARG C . 10093 1 954 . 1 1 75 75 ARG CA C 13 60.341 0.300 . 1 . . . . 75 ARG CA . 10093 1 955 . 1 1 75 75 ARG CB C 13 29.856 0.300 . 1 . . . . 75 ARG CB . 10093 1 956 . 1 1 75 75 ARG CG C 13 28.489 0.300 . 1 . . . . 75 ARG CG . 10093 1 957 . 1 1 75 75 ARG CD C 13 43.505 0.300 . 1 . . . . 75 ARG CD . 10093 1 958 . 1 1 75 75 ARG N N 15 118.015 0.300 . 1 . . . . 75 ARG N . 10093 1 959 . 1 1 75 75 ARG NE N 15 83.826 0.300 . 1 . . . . 75 ARG NE . 10093 1 960 . 1 1 76 76 MET H H 1 8.306 0.030 . 1 . . . . 76 MET H . 10093 1 961 . 1 1 76 76 MET HA H 1 4.048 0.030 . 1 . . . . 76 MET HA . 10093 1 962 . 1 1 76 76 MET HB2 H 1 2.995 0.030 . 2 . . . . 76 MET HB2 . 10093 1 963 . 1 1 76 76 MET HB3 H 1 2.724 0.030 . 2 . . . . 76 MET HB3 . 10093 1 964 . 1 1 76 76 MET HG2 H 1 2.632 0.030 . 2 . . . . 76 MET HG2 . 10093 1 965 . 1 1 76 76 MET HG3 H 1 2.074 0.030 . 2 . . . . 76 MET HG3 . 10093 1 966 . 1 1 76 76 MET HE1 H 1 1.584 0.030 . 1 . . . . 76 MET HE . 10093 1 967 . 1 1 76 76 MET HE2 H 1 1.584 0.030 . 1 . . . . 76 MET HE . 10093 1 968 . 1 1 76 76 MET HE3 H 1 1.584 0.030 . 1 . . . . 76 MET HE . 10093 1 969 . 1 1 76 76 MET C C 13 177.158 0.300 . 1 . . . . 76 MET C . 10093 1 970 . 1 1 76 76 MET CA C 13 61.047 0.300 . 1 . . . . 76 MET CA . 10093 1 971 . 1 1 76 76 MET CB C 13 34.141 0.300 . 1 . . . . 76 MET CB . 10093 1 972 . 1 1 76 76 MET CG C 13 34.141 0.300 . 1 . . . . 76 MET CG . 10093 1 973 . 1 1 76 76 MET CE C 13 18.229 0.300 . 1 . . . . 76 MET CE . 10093 1 974 . 1 1 76 76 MET N N 15 117.958 0.300 . 1 . . . . 76 MET N . 10093 1 975 . 1 1 77 77 GLN H H 1 8.158 0.030 . 1 . . . . 77 GLN H . 10093 1 976 . 1 1 77 77 GLN HA H 1 4.034 0.030 . 1 . . . . 77 GLN HA . 10093 1 977 . 1 1 77 77 GLN HB2 H 1 2.260 0.030 . 1 . . . . 77 GLN HB2 . 10093 1 978 . 1 1 77 77 GLN HB3 H 1 2.260 0.030 . 1 . . . . 77 GLN HB3 . 10093 1 979 . 1 1 77 77 GLN HG2 H 1 2.429 0.030 . 2 . . . . 77 GLN HG2 . 10093 1 980 . 1 1 77 77 GLN HG3 H 1 2.217 0.030 . 2 . . . . 77 GLN HG3 . 10093 1 981 . 1 1 77 77 GLN HE21 H 1 7.008 0.030 . 2 . . . . 77 GLN HE21 . 10093 1 982 . 1 1 77 77 GLN HE22 H 1 6.813 0.030 . 2 . . . . 77 GLN HE22 . 10093 1 983 . 1 1 77 77 GLN C C 13 178.955 0.300 . 1 . . . . 77 GLN C . 10093 1 984 . 1 1 77 77 GLN CA C 13 59.714 0.300 . 1 . . . . 77 GLN CA . 10093 1 985 . 1 1 77 77 GLN CB C 13 28.991 0.300 . 1 . . . . 77 GLN CB . 10093 1 986 . 1 1 77 77 GLN CG C 13 34.999 0.300 . 1 . . . . 77 GLN CG . 10093 1 987 . 1 1 77 77 GLN N N 15 119.802 0.300 . 1 . . . . 77 GLN N . 10093 1 988 . 1 1 77 77 GLN NE2 N 15 110.364 0.300 . 1 . . . . 77 GLN NE2 . 10093 1 989 . 1 1 78 78 LEU H H 1 8.339 0.030 . 1 . . . . 78 LEU H . 10093 1 990 . 1 1 78 78 LEU HA H 1 4.044 0.030 . 1 . . . . 78 LEU HA . 10093 1 991 . 1 1 78 78 LEU HB2 H 1 1.390 0.030 . 2 . . . . 78 LEU HB2 . 10093 1 992 . 1 1 78 78 LEU HB3 H 1 1.962 0.030 . 2 . . . . 78 LEU HB3 . 10093 1 993 . 1 1 78 78 LEU HG H 1 1.792 0.030 . 1 . . . . 78 LEU HG . 10093 1 994 . 1 1 78 78 LEU HD11 H 1 0.850 0.030 . 1 . . . . 78 LEU HD1 . 10093 1 995 . 1 1 78 78 LEU HD12 H 1 0.850 0.030 . 1 . . . . 78 LEU HD1 . 10093 1 996 . 1 1 78 78 LEU HD13 H 1 0.850 0.030 . 1 . . . . 78 LEU HD1 . 10093 1 997 . 1 1 78 78 LEU HD21 H 1 0.804 0.030 . 1 . . . . 78 LEU HD2 . 10093 1 998 . 1 1 78 78 LEU HD22 H 1 0.804 0.030 . 1 . . . . 78 LEU HD2 . 10093 1 999 . 1 1 78 78 LEU HD23 H 1 0.804 0.030 . 1 . . . . 78 LEU HD2 . 10093 1 1000 . 1 1 78 78 LEU C C 13 179.198 0.300 . 1 . . . . 78 LEU C . 10093 1 1001 . 1 1 78 78 LEU CA C 13 58.050 0.300 . 1 . . . . 78 LEU CA . 10093 1 1002 . 1 1 78 78 LEU CB C 13 41.747 0.300 . 1 . . . . 78 LEU CB . 10093 1 1003 . 1 1 78 78 LEU CG C 13 26.770 0.300 . 1 . . . . 78 LEU CG . 10093 1 1004 . 1 1 78 78 LEU CD1 C 13 25.772 0.300 . 2 . . . . 78 LEU CD1 . 10093 1 1005 . 1 1 78 78 LEU CD2 C 13 22.946 0.300 . 2 . . . . 78 LEU CD2 . 10093 1 1006 . 1 1 78 78 LEU N N 15 120.802 0.300 . 1 . . . . 78 LEU N . 10093 1 1007 . 1 1 79 79 TRP H H 1 8.495 0.030 . 1 . . . . 79 TRP H . 10093 1 1008 . 1 1 79 79 TRP HA H 1 4.309 0.030 . 1 . . . . 79 TRP HA . 10093 1 1009 . 1 1 79 79 TRP HB2 H 1 3.301 0.030 . 2 . . . . 79 TRP HB2 . 10093 1 1010 . 1 1 79 79 TRP HB3 H 1 3.691 0.030 . 2 . . . . 79 TRP HB3 . 10093 1 1011 . 1 1 79 79 TRP HD1 H 1 7.475 0.030 . 1 . . . . 79 TRP HD1 . 10093 1 1012 . 1 1 79 79 TRP HE1 H 1 10.653 0.030 . 1 . . . . 79 TRP HE1 . 10093 1 1013 . 1 1 79 79 TRP HE3 H 1 7.566 0.030 . 1 . . . . 79 TRP HE3 . 10093 1 1014 . 1 1 79 79 TRP HZ2 H 1 7.293 0.030 . 1 . . . . 79 TRP HZ2 . 10093 1 1015 . 1 1 79 79 TRP HH2 H 1 6.627 0.030 . 1 . . . . 79 TRP HH2 . 10093 1 1016 . 1 1 79 79 TRP C C 13 179.538 0.300 . 1 . . . . 79 TRP C . 10093 1 1017 . 1 1 79 79 TRP CA C 13 61.883 0.300 . 1 . . . . 79 TRP CA . 10093 1 1018 . 1 1 79 79 TRP CB C 13 28.168 0.300 . 1 . . . . 79 TRP CB . 10093 1 1019 . 1 1 79 79 TRP CD1 C 13 128.168 0.300 . 1 . . . . 79 TRP CD1 . 10093 1 1020 . 1 1 79 79 TRP CE3 C 13 119.263 0.300 . 1 . . . . 79 TRP CE3 . 10093 1 1021 . 1 1 79 79 TRP CZ2 C 13 114.290 0.300 . 1 . . . . 79 TRP CZ2 . 10093 1 1022 . 1 1 79 79 TRP CZ3 C 13 121.692 0.300 . 1 . . . . 79 TRP CZ3 . 10093 1 1023 . 1 1 79 79 TRP CH2 C 13 123.691 0.300 . 1 . . . . 79 TRP CH2 . 10093 1 1024 . 1 1 79 79 TRP N N 15 121.154 0.300 . 1 . . . . 79 TRP N . 10093 1 1025 . 1 1 79 79 TRP NE1 N 15 131.419 0.300 . 1 . . . . 79 TRP NE1 . 10093 1 1026 . 1 1 80 80 LEU H H 1 8.777 0.030 . 1 . . . . 80 LEU H . 10093 1 1027 . 1 1 80 80 LEU HA H 1 3.473 0.030 . 1 . . . . 80 LEU HA . 10093 1 1028 . 1 1 80 80 LEU HB2 H 1 1.734 0.030 . 2 . . . . 80 LEU HB2 . 10093 1 1029 . 1 1 80 80 LEU HB3 H 1 1.932 0.030 . 2 . . . . 80 LEU HB3 . 10093 1 1030 . 1 1 80 80 LEU HG H 1 1.890 0.030 . 1 . . . . 80 LEU HG . 10093 1 1031 . 1 1 80 80 LEU HD11 H 1 0.901 0.030 . 1 . . . . 80 LEU HD1 . 10093 1 1032 . 1 1 80 80 LEU HD12 H 1 0.901 0.030 . 1 . . . . 80 LEU HD1 . 10093 1 1033 . 1 1 80 80 LEU HD13 H 1 0.901 0.030 . 1 . . . . 80 LEU HD1 . 10093 1 1034 . 1 1 80 80 LEU HD21 H 1 0.927 0.030 . 1 . . . . 80 LEU HD2 . 10093 1 1035 . 1 1 80 80 LEU HD22 H 1 0.927 0.030 . 1 . . . . 80 LEU HD2 . 10093 1 1036 . 1 1 80 80 LEU HD23 H 1 0.927 0.030 . 1 . . . . 80 LEU HD2 . 10093 1 1037 . 1 1 80 80 LEU C C 13 178.409 0.300 . 1 . . . . 80 LEU C . 10093 1 1038 . 1 1 80 80 LEU CA C 13 58.139 0.300 . 1 . . . . 80 LEU CA . 10093 1 1039 . 1 1 80 80 LEU CB C 13 42.627 0.300 . 1 . . . . 80 LEU CB . 10093 1 1040 . 1 1 80 80 LEU CG C 13 26.604 0.300 . 1 . . . . 80 LEU CG . 10093 1 1041 . 1 1 80 80 LEU CD1 C 13 25.018 0.300 . 2 . . . . 80 LEU CD1 . 10093 1 1042 . 1 1 80 80 LEU CD2 C 13 25.665 0.300 . 2 . . . . 80 LEU CD2 . 10093 1 1043 . 1 1 80 80 LEU N N 15 121.453 0.300 . 1 . . . . 80 LEU N . 10093 1 1044 . 1 1 81 81 SER H H 1 7.724 0.030 . 1 . . . . 81 SER H . 10093 1 1045 . 1 1 81 81 SER HA H 1 4.312 0.030 . 1 . . . . 81 SER HA . 10093 1 1046 . 1 1 81 81 SER HB2 H 1 3.976 0.030 . 2 . . . . 81 SER HB2 . 10093 1 1047 . 1 1 81 81 SER HB3 H 1 3.936 0.030 . 2 . . . . 81 SER HB3 . 10093 1 1048 . 1 1 81 81 SER C C 13 174.379 0.300 . 1 . . . . 81 SER C . 10093 1 1049 . 1 1 81 81 SER CA C 13 59.177 0.300 . 1 . . . . 81 SER CA . 10093 1 1050 . 1 1 81 81 SER CB C 13 63.440 0.300 . 1 . . . . 81 SER CB . 10093 1 1051 . 1 1 81 81 SER N N 15 112.040 0.300 . 1 . . . . 81 SER N . 10093 1 1052 . 1 1 82 82 ASP H H 1 7.756 0.030 . 1 . . . . 82 ASP H . 10093 1 1053 . 1 1 82 82 ASP HA H 1 4.442 0.030 . 1 . . . . 82 ASP HA . 10093 1 1054 . 1 1 82 82 ASP HB2 H 1 2.707 0.030 . 2 . . . . 82 ASP HB2 . 10093 1 1055 . 1 1 82 82 ASP HB3 H 1 2.772 0.030 . 2 . . . . 82 ASP HB3 . 10093 1 1056 . 1 1 82 82 ASP C C 13 176.600 0.300 . 1 . . . . 82 ASP C . 10093 1 1057 . 1 1 82 82 ASP CA C 13 55.899 0.300 . 1 . . . . 82 ASP CA . 10093 1 1058 . 1 1 82 82 ASP CB C 13 39.751 0.300 . 1 . . . . 82 ASP CB . 10093 1 1059 . 1 1 82 82 ASP N N 15 119.368 0.300 . 1 . . . . 82 ASP N . 10093 1 1060 . 1 1 83 83 GLN H H 1 8.202 0.030 . 1 . . . . 83 GLN H . 10093 1 1061 . 1 1 83 83 GLN HA H 1 4.240 0.030 . 1 . . . . 83 GLN HA . 10093 1 1062 . 1 1 83 83 GLN HB2 H 1 1.721 0.030 . 2 . . . . 83 GLN HB2 . 10093 1 1063 . 1 1 83 83 GLN HB3 H 1 2.149 0.030 . 2 . . . . 83 GLN HB3 . 10093 1 1064 . 1 1 83 83 GLN HG2 H 1 1.865 0.030 . 2 . . . . 83 GLN HG2 . 10093 1 1065 . 1 1 83 83 GLN HG3 H 1 2.035 0.030 . 2 . . . . 83 GLN HG3 . 10093 1 1066 . 1 1 83 83 GLN HE21 H 1 7.156 0.030 . 2 . . . . 83 GLN HE21 . 10093 1 1067 . 1 1 83 83 GLN HE22 H 1 6.599 0.030 . 2 . . . . 83 GLN HE22 . 10093 1 1068 . 1 1 83 83 GLN C C 13 176.467 0.300 . 1 . . . . 83 GLN C . 10093 1 1069 . 1 1 83 83 GLN CA C 13 55.813 0.300 . 1 . . . . 83 GLN CA . 10093 1 1070 . 1 1 83 83 GLN CB C 13 29.579 0.300 . 1 . . . . 83 GLN CB . 10093 1 1071 . 1 1 83 83 GLN CG C 13 33.503 0.300 . 1 . . . . 83 GLN CG . 10093 1 1072 . 1 1 83 83 GLN N N 15 116.638 0.300 . 1 . . . . 83 GLN N . 10093 1 1073 . 1 1 83 83 GLN NE2 N 15 112.472 0.300 . 1 . . . . 83 GLN NE2 . 10093 1 1074 . 1 1 84 84 LEU H H 1 7.902 0.030 . 1 . . . . 84 LEU H . 10093 1 1075 . 1 1 84 84 LEU HA H 1 4.320 0.030 . 1 . . . . 84 LEU HA . 10093 1 1076 . 1 1 84 84 LEU HB2 H 1 1.609 0.030 . 2 . . . . 84 LEU HB2 . 10093 1 1077 . 1 1 84 84 LEU HB3 H 1 1.694 0.030 . 2 . . . . 84 LEU HB3 . 10093 1 1078 . 1 1 84 84 LEU HG H 1 1.622 0.030 . 1 . . . . 84 LEU HG . 10093 1 1079 . 1 1 84 84 LEU HD11 H 1 0.973 0.030 . 1 . . . . 84 LEU HD1 . 10093 1 1080 . 1 1 84 84 LEU HD12 H 1 0.973 0.030 . 1 . . . . 84 LEU HD1 . 10093 1 1081 . 1 1 84 84 LEU HD13 H 1 0.973 0.030 . 1 . . . . 84 LEU HD1 . 10093 1 1082 . 1 1 84 84 LEU HD21 H 1 0.916 0.030 . 1 . . . . 84 LEU HD2 . 10093 1 1083 . 1 1 84 84 LEU HD22 H 1 0.916 0.030 . 1 . . . . 84 LEU HD2 . 10093 1 1084 . 1 1 84 84 LEU HD23 H 1 0.916 0.030 . 1 . . . . 84 LEU HD2 . 10093 1 1085 . 1 1 84 84 LEU C C 13 177.741 0.300 . 1 . . . . 84 LEU C . 10093 1 1086 . 1 1 84 84 LEU CA C 13 55.522 0.300 . 1 . . . . 84 LEU CA . 10093 1 1087 . 1 1 84 84 LEU CB C 13 42.586 0.300 . 1 . . . . 84 LEU CB . 10093 1 1088 . 1 1 84 84 LEU CG C 13 27.019 0.300 . 1 . . . . 84 LEU CG . 10093 1 1089 . 1 1 84 84 LEU CD1 C 13 24.977 0.300 . 2 . . . . 84 LEU CD1 . 10093 1 1090 . 1 1 84 84 LEU CD2 C 13 24.368 0.300 . 2 . . . . 84 LEU CD2 . 10093 1 1091 . 1 1 84 84 LEU N N 15 120.732 0.300 . 1 . . . . 84 LEU N . 10093 1 1092 . 1 1 85 85 GLY H H 1 8.334 0.030 . 1 . . . . 85 GLY H . 10093 1 1093 . 1 1 85 85 GLY HA2 H 1 3.942 0.030 . 1 . . . . 85 GLY HA2 . 10093 1 1094 . 1 1 85 85 GLY HA3 H 1 3.942 0.030 . 1 . . . . 85 GLY HA3 . 10093 1 1095 . 1 1 85 85 GLY C C 13 174.366 0.300 . 1 . . . . 85 GLY C . 10093 1 1096 . 1 1 85 85 GLY CA C 13 45.774 0.300 . 1 . . . . 85 GLY CA . 10093 1 1097 . 1 1 85 85 GLY N N 15 109.551 0.300 . 1 . . . . 85 GLY N . 10093 1 1098 . 1 1 86 86 GLN H H 1 8.144 0.030 . 1 . . . . 86 GLN H . 10093 1 1099 . 1 1 86 86 GLN HA H 1 4.303 0.030 . 1 . . . . 86 GLN HA . 10093 1 1100 . 1 1 86 86 GLN HB2 H 1 1.940 0.030 . 2 . . . . 86 GLN HB2 . 10093 1 1101 . 1 1 86 86 GLN HB3 H 1 2.085 0.030 . 2 . . . . 86 GLN HB3 . 10093 1 1102 . 1 1 86 86 GLN HG2 H 1 2.320 0.030 . 1 . . . . 86 GLN HG2 . 10093 1 1103 . 1 1 86 86 GLN HG3 H 1 2.320 0.030 . 1 . . . . 86 GLN HG3 . 10093 1 1104 . 1 1 86 86 GLN HE21 H 1 7.498 0.030 . 2 . . . . 86 GLN HE21 . 10093 1 1105 . 1 1 86 86 GLN HE22 H 1 6.812 0.030 . 2 . . . . 86 GLN HE22 . 10093 1 1106 . 1 1 86 86 GLN C C 13 175.811 0.300 . 1 . . . . 86 GLN C . 10093 1 1107 . 1 1 86 86 GLN CA C 13 55.922 0.300 . 1 . . . . 86 GLN CA . 10093 1 1108 . 1 1 86 86 GLN CB C 13 29.609 0.300 . 1 . . . . 86 GLN CB . 10093 1 1109 . 1 1 86 86 GLN CG C 13 33.836 0.300 . 1 . . . . 86 GLN CG . 10093 1 1110 . 1 1 86 86 GLN N N 15 119.407 0.300 . 1 . . . . 86 GLN N . 10093 1 1111 . 1 1 86 86 GLN NE2 N 15 112.273 0.300 . 1 . . . . 86 GLN NE2 . 10093 1 1112 . 1 1 87 87 ALA H H 1 8.316 0.030 . 1 . . . . 87 ALA H . 10093 1 1113 . 1 1 87 87 ALA HA H 1 4.343 0.030 . 1 . . . . 87 ALA HA . 10093 1 1114 . 1 1 87 87 ALA HB1 H 1 1.378 0.030 . 1 . . . . 87 ALA HB . 10093 1 1115 . 1 1 87 87 ALA HB2 H 1 1.378 0.030 . 1 . . . . 87 ALA HB . 10093 1 1116 . 1 1 87 87 ALA HB3 H 1 1.378 0.030 . 1 . . . . 87 ALA HB . 10093 1 1117 . 1 1 87 87 ALA C C 13 177.790 0.300 . 1 . . . . 87 ALA C . 10093 1 1118 . 1 1 87 87 ALA CA C 13 52.567 0.300 . 1 . . . . 87 ALA CA . 10093 1 1119 . 1 1 87 87 ALA CB C 13 19.228 0.300 . 1 . . . . 87 ALA CB . 10093 1 1120 . 1 1 87 87 ALA N N 15 124.873 0.300 . 1 . . . . 87 ALA N . 10093 1 1121 . 1 1 88 88 VAL H H 1 8.090 0.030 . 1 . . . . 88 VAL H . 10093 1 1122 . 1 1 88 88 VAL HA H 1 4.091 0.030 . 1 . . . . 88 VAL HA . 10093 1 1123 . 1 1 88 88 VAL HB H 1 2.088 0.030 . 1 . . . . 88 VAL HB . 10093 1 1124 . 1 1 88 88 VAL HG11 H 1 0.945 0.030 . 1 . . . . 88 VAL HG1 . 10093 1 1125 . 1 1 88 88 VAL HG12 H 1 0.945 0.030 . 1 . . . . 88 VAL HG1 . 10093 1 1126 . 1 1 88 88 VAL HG13 H 1 0.945 0.030 . 1 . . . . 88 VAL HG1 . 10093 1 1127 . 1 1 88 88 VAL HG21 H 1 0.945 0.030 . 1 . . . . 88 VAL HG2 . 10093 1 1128 . 1 1 88 88 VAL HG22 H 1 0.945 0.030 . 1 . . . . 88 VAL HG2 . 10093 1 1129 . 1 1 88 88 VAL HG23 H 1 0.945 0.030 . 1 . . . . 88 VAL HG2 . 10093 1 1130 . 1 1 88 88 VAL C C 13 176.770 0.300 . 1 . . . . 88 VAL C . 10093 1 1131 . 1 1 88 88 VAL CA C 13 62.582 0.300 . 1 . . . . 88 VAL CA . 10093 1 1132 . 1 1 88 88 VAL CB C 13 32.699 0.300 . 1 . . . . 88 VAL CB . 10093 1 1133 . 1 1 88 88 VAL CG1 C 13 20.951 0.300 . 1 . . . . 88 VAL CG1 . 10093 1 1134 . 1 1 88 88 VAL CG2 C 13 20.951 0.300 . 1 . . . . 88 VAL CG2 . 10093 1 1135 . 1 1 88 88 VAL N N 15 119.072 0.300 . 1 . . . . 88 VAL N . 10093 1 1136 . 1 1 89 89 GLY H H 1 8.464 0.030 . 1 . . . . 89 GLY H . 10093 1 1137 . 1 1 89 89 GLY HA2 H 1 3.942 0.030 . 1 . . . . 89 GLY HA2 . 10093 1 1138 . 1 1 89 89 GLY HA3 H 1 3.942 0.030 . 1 . . . . 89 GLY HA3 . 10093 1 1139 . 1 1 89 89 GLY C C 13 173.918 0.300 . 1 . . . . 89 GLY C . 10093 1 1140 . 1 1 89 89 GLY CA C 13 45.345 0.300 . 1 . . . . 89 GLY CA . 10093 1 1141 . 1 1 89 89 GLY N N 15 112.123 0.300 . 1 . . . . 89 GLY N . 10093 1 1142 . 1 1 90 90 GLN H H 1 8.182 0.030 . 1 . . . . 90 GLN H . 10093 1 1143 . 1 1 90 90 GLN HA H 1 4.326 0.030 . 1 . . . . 90 GLN HA . 10093 1 1144 . 1 1 90 90 GLN HB2 H 1 1.950 0.030 . 2 . . . . 90 GLN HB2 . 10093 1 1145 . 1 1 90 90 GLN HB3 H 1 2.089 0.030 . 2 . . . . 90 GLN HB3 . 10093 1 1146 . 1 1 90 90 GLN HG2 H 1 2.320 0.030 . 1 . . . . 90 GLN HG2 . 10093 1 1147 . 1 1 90 90 GLN HG3 H 1 2.320 0.030 . 1 . . . . 90 GLN HG3 . 10093 1 1148 . 1 1 90 90 GLN HE21 H 1 7.533 0.030 . 2 . . . . 90 GLN HE21 . 10093 1 1149 . 1 1 90 90 GLN HE22 H 1 6.844 0.030 . 2 . . . . 90 GLN HE22 . 10093 1 1150 . 1 1 90 90 GLN C C 13 175.909 0.300 . 1 . . . . 90 GLN C . 10093 1 1151 . 1 1 90 90 GLN CA C 13 55.581 0.300 . 1 . . . . 90 GLN CA . 10093 1 1152 . 1 1 90 90 GLN CB C 13 29.733 0.300 . 1 . . . . 90 GLN CB . 10093 1 1153 . 1 1 90 90 GLN CG C 13 33.836 0.300 . 1 . . . . 90 GLN CG . 10093 1 1154 . 1 1 90 90 GLN N N 15 119.642 0.300 . 1 . . . . 90 GLN N . 10093 1 1155 . 1 1 90 90 GLN NE2 N 15 112.541 0.300 . 1 . . . . 90 GLN NE2 . 10093 1 1156 . 1 1 91 91 GLN H H 1 8.516 0.030 . 1 . . . . 91 GLN H . 10093 1 1157 . 1 1 91 91 GLN HA H 1 4.605 0.030 . 1 . . . . 91 GLN HA . 10093 1 1158 . 1 1 91 91 GLN HB2 H 1 1.922 0.030 . 2 . . . . 91 GLN HB2 . 10093 1 1159 . 1 1 91 91 GLN HB3 H 1 2.107 0.030 . 2 . . . . 91 GLN HB3 . 10093 1 1160 . 1 1 91 91 GLN HG2 H 1 2.385 0.030 . 1 . . . . 91 GLN HG2 . 10093 1 1161 . 1 1 91 91 GLN HG3 H 1 2.385 0.030 . 1 . . . . 91 GLN HG3 . 10093 1 1162 . 1 1 91 91 GLN HE21 H 1 7.601 0.030 . 2 . . . . 91 GLN HE21 . 10093 1 1163 . 1 1 91 91 GLN HE22 H 1 6.759 0.030 . 2 . . . . 91 GLN HE22 . 10093 1 1164 . 1 1 91 91 GLN C C 13 174.173 0.300 . 1 . . . . 91 GLN C . 10093 1 1165 . 1 1 91 91 GLN CA C 13 53.750 0.300 . 1 . . . . 91 GLN CA . 10093 1 1166 . 1 1 91 91 GLN CB C 13 28.785 0.300 . 1 . . . . 91 GLN CB . 10093 1 1167 . 1 1 91 91 GLN CG C 13 33.454 0.300 . 1 . . . . 91 GLN CG . 10093 1 1168 . 1 1 91 91 GLN N N 15 122.976 0.300 . 1 . . . . 91 GLN N . 10093 1 1169 . 1 1 91 91 GLN NE2 N 15 112.109 0.300 . 1 . . . . 91 GLN NE2 . 10093 1 1170 . 1 1 92 92 PRO HA H 1 4.414 0.030 . 1 . . . . 92 PRO HA . 10093 1 1171 . 1 1 92 92 PRO HB2 H 1 1.946 0.030 . 2 . . . . 92 PRO HB2 . 10093 1 1172 . 1 1 92 92 PRO HB3 H 1 2.297 0.030 . 2 . . . . 92 PRO HB3 . 10093 1 1173 . 1 1 92 92 PRO HG2 H 1 2.002 0.030 . 2 . . . . 92 PRO HG2 . 10093 1 1174 . 1 1 92 92 PRO HG3 H 1 2.061 0.030 . 2 . . . . 92 PRO HG3 . 10093 1 1175 . 1 1 92 92 PRO HD2 H 1 3.677 0.030 . 2 . . . . 92 PRO HD2 . 10093 1 1176 . 1 1 92 92 PRO HD3 H 1 3.800 0.030 . 2 . . . . 92 PRO HD3 . 10093 1 1177 . 1 1 92 92 PRO C C 13 177.571 0.300 . 1 . . . . 92 PRO C . 10093 1 1178 . 1 1 92 92 PRO CA C 13 63.551 0.300 . 1 . . . . 92 PRO CA . 10093 1 1179 . 1 1 92 92 PRO CB C 13 32.081 0.300 . 1 . . . . 92 PRO CB . 10093 1 1180 . 1 1 92 92 PRO CG C 13 27.518 0.300 . 1 . . . . 92 PRO CG . 10093 1 1181 . 1 1 92 92 PRO CD C 13 50.695 0.300 . 1 . . . . 92 PRO CD . 10093 1 1182 . 1 1 93 93 GLY H H 1 8.536 0.030 . 1 . . . . 93 GLY H . 10093 1 1183 . 1 1 93 93 GLY HA2 H 1 3.933 0.030 . 1 . . . . 93 GLY HA2 . 10093 1 1184 . 1 1 93 93 GLY HA3 H 1 3.933 0.030 . 1 . . . . 93 GLY HA3 . 10093 1 1185 . 1 1 93 93 GLY C C 13 174.027 0.300 . 1 . . . . 93 GLY C . 10093 1 1186 . 1 1 93 93 GLY CA C 13 45.244 0.300 . 1 . . . . 93 GLY CA . 10093 1 1187 . 1 1 93 93 GLY N N 15 109.787 0.300 . 1 . . . . 93 GLY N . 10093 1 1188 . 1 1 94 94 ALA H H 1 8.126 0.030 . 1 . . . . 94 ALA H . 10093 1 1189 . 1 1 94 94 ALA HA H 1 4.343 0.030 . 1 . . . . 94 ALA HA . 10093 1 1190 . 1 1 94 94 ALA HB1 H 1 1.387 0.030 . 1 . . . . 94 ALA HB . 10093 1 1191 . 1 1 94 94 ALA HB2 H 1 1.387 0.030 . 1 . . . . 94 ALA HB . 10093 1 1192 . 1 1 94 94 ALA HB3 H 1 1.387 0.030 . 1 . . . . 94 ALA HB . 10093 1 1193 . 1 1 94 94 ALA C C 13 177.984 0.300 . 1 . . . . 94 ALA C . 10093 1 1194 . 1 1 94 94 ALA CA C 13 52.718 0.300 . 1 . . . . 94 ALA CA . 10093 1 1195 . 1 1 94 94 ALA CB C 13 19.407 0.300 . 1 . . . . 94 ALA CB . 10093 1 1196 . 1 1 94 94 ALA N N 15 123.698 0.300 . 1 . . . . 94 ALA N . 10093 1 1197 . 1 1 95 95 SER H H 1 8.395 0.030 . 1 . . . . 95 SER H . 10093 1 1198 . 1 1 95 95 SER HA H 1 4.526 0.030 . 1 . . . . 95 SER HA . 10093 1 1199 . 1 1 95 95 SER HB2 H 1 3.908 0.030 . 1 . . . . 95 SER HB2 . 10093 1 1200 . 1 1 95 95 SER HB3 H 1 3.908 0.030 . 1 . . . . 95 SER HB3 . 10093 1 1201 . 1 1 95 95 SER C C 13 174.610 0.300 . 1 . . . . 95 SER C . 10093 1 1202 . 1 1 95 95 SER CA C 13 58.446 0.300 . 1 . . . . 95 SER CA . 10093 1 1203 . 1 1 95 95 SER CB C 13 64.213 0.300 . 1 . . . . 95 SER CB . 10093 1 1204 . 1 1 95 95 SER N N 15 115.145 0.300 . 1 . . . . 95 SER N . 10093 1 1205 . 1 1 96 96 SER H H 1 8.472 0.030 . 1 . . . . 96 SER H . 10093 1 1206 . 1 1 96 96 SER HA H 1 4.513 0.030 . 1 . . . . 96 SER HA . 10093 1 1207 . 1 1 96 96 SER HB2 H 1 3.892 0.030 . 1 . . . . 96 SER HB2 . 10093 1 1208 . 1 1 96 96 SER HB3 H 1 3.892 0.030 . 1 . . . . 96 SER HB3 . 10093 1 1209 . 1 1 96 96 SER CA C 13 58.858 0.300 . 1 . . . . 96 SER CA . 10093 1 1210 . 1 1 96 96 SER CB C 13 63.966 0.300 . 1 . . . . 96 SER CB . 10093 1 1211 . 1 1 96 96 SER N N 15 117.911 0.300 . 1 . . . . 96 SER N . 10093 1 1212 . 1 1 97 97 GLY H H 1 8.248 0.030 . 1 . . . . 97 GLY H . 10093 1 1213 . 1 1 97 97 GLY HA2 H 1 4.120 0.030 . 1 . . . . 97 GLY HA2 . 10093 1 1214 . 1 1 97 97 GLY HA3 H 1 4.120 0.030 . 1 . . . . 97 GLY HA3 . 10093 1 1215 . 1 1 97 97 GLY CA C 13 44.646 0.300 . 1 . . . . 97 GLY CA . 10093 1 1216 . 1 1 97 97 GLY N N 15 110.585 0.300 . 1 . . . . 97 GLY N . 10093 1 1217 . 1 1 98 98 PRO HA H 1 4.469 0.030 . 1 . . . . 98 PRO HA . 10093 1 1218 . 1 1 98 98 PRO HB2 H 1 1.962 0.030 . 2 . . . . 98 PRO HB2 . 10093 1 1219 . 1 1 98 98 PRO HB3 H 1 2.294 0.030 . 2 . . . . 98 PRO HB3 . 10093 1 1220 . 1 1 98 98 PRO HG2 H 1 2.002 0.030 . 1 . . . . 98 PRO HG2 . 10093 1 1221 . 1 1 98 98 PRO HG3 H 1 2.002 0.030 . 1 . . . . 98 PRO HG3 . 10093 1 1222 . 1 1 98 98 PRO HD2 H 1 3.608 0.030 . 1 . . . . 98 PRO HD2 . 10093 1 1223 . 1 1 98 98 PRO HD3 H 1 3.608 0.030 . 1 . . . . 98 PRO HD3 . 10093 1 1224 . 1 1 98 98 PRO C C 13 177.401 0.300 . 1 . . . . 98 PRO C . 10093 1 1225 . 1 1 98 98 PRO CA C 13 63.265 0.300 . 1 . . . . 98 PRO CA . 10093 1 1226 . 1 1 98 98 PRO CB C 13 32.328 0.300 . 1 . . . . 98 PRO CB . 10093 1 1227 . 1 1 98 98 PRO CG C 13 27.186 0.300 . 1 . . . . 98 PRO CG . 10093 1 1228 . 1 1 98 98 PRO CD C 13 49.810 0.300 . 1 . . . . 98 PRO CD . 10093 1 1229 . 1 1 99 99 SER H H 1 8.536 0.030 . 1 . . . . 99 SER H . 10093 1 1230 . 1 1 99 99 SER C C 13 174.658 0.300 . 1 . . . . 99 SER C . 10093 1 1231 . 1 1 99 99 SER CA C 13 58.693 0.300 . 1 . . . . 99 SER CA . 10093 1 1232 . 1 1 99 99 SER CB C 13 64.131 0.300 . 1 . . . . 99 SER CB . 10093 1 1233 . 1 1 99 99 SER N N 15 116.474 0.300 . 1 . . . . 99 SER N . 10093 1 stop_ save_