data_10193 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10193 _Entry.Title ; Solution structure of the Myb-like DNA-binding domain of human ZZZ3 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-19 _Entry.Accession_date 2008-02-19 _Entry.Last_release_date 2009-02-27 _Entry.Original_release_date 2009-02-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Abe . . . 10193 2 N. Tochio . . . 10193 3 K. Miyamoto . . . 10193 4 K. Saito . . . 10193 5 S. Koshiba . . . 10193 6 M. Inoue . . . 10193 7 T. Kigawa . . . 10193 8 S. Yokoyama . . . 10193 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10193 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10193 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 10193 '15N chemical shifts' 70 10193 '1H chemical shifts' 497 10193 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 . . 2009-02-27 2008-02-19 original author . 10193 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUM 'BMRB Entry Tracking System' 10193 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10193 _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 Myb-like DNA-binding domain of human ZZZ3 protein' _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 H. Abe . . . 10193 1 2 N. Tochio . . . 10193 1 3 K. Miyamoto . . . 10193 1 4 K. Saito . . . 10193 1 5 S. Koshiba . . . 10193 1 6 M. Inoue . . . 10193 1 7 T. Kigawa . . . 10193 1 8 S. Yokoyama . . . 10193 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10193 _Assembly.ID 1 _Assembly.Name 'Zinc finger ZZ-type-containing protein 3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Myb-like DNA-binding domain, UNP residues 652-713' 1 $entity_1 . . yes native no no . . . 10193 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 2YUM . . . . . . 10193 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10193 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Myb-like DNA-binding domain, UNP residues 652-713' _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 ; GSSGSSGNQLWTVEEQKKLE QLLIKYPPEEVESRRWQKIA DELGNRTAKQVASQVQKYFI KLTKAGIPVSGPSSG ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YUM . "Solution Structure Of The Myb-Like Dna-Binding Domain Of Human Zzz3 Protein" . . . . . 100.00 75 100.00 100.00 1.47e-44 . . . . 10193 1 2 no GB AAH35079 . "ZZZ3 protein [Homo sapiens]" . . . . . 85.33 409 98.44 98.44 7.50e-34 . . . . 10193 1 3 no GB ADZ15730 . "zinc finger, ZZ-type containing 3 [synthetic construct]" . . . . . 85.33 409 98.44 98.44 7.50e-34 . . . . 10193 1 4 no GB AIC62127 . "ZZZ3, partial [synthetic construct]" . . . . . 85.33 409 98.44 98.44 7.27e-34 . . . . 10193 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Myb-like DNA-binding domain, UNP residues 652-713' . 10193 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 . 10193 1 2 . SER . 10193 1 3 . SER . 10193 1 4 . GLY . 10193 1 5 . SER . 10193 1 6 . SER . 10193 1 7 . GLY . 10193 1 8 . ASN . 10193 1 9 . GLN . 10193 1 10 . LEU . 10193 1 11 . TRP . 10193 1 12 . THR . 10193 1 13 . VAL . 10193 1 14 . GLU . 10193 1 15 . GLU . 10193 1 16 . GLN . 10193 1 17 . LYS . 10193 1 18 . LYS . 10193 1 19 . LEU . 10193 1 20 . GLU . 10193 1 21 . GLN . 10193 1 22 . LEU . 10193 1 23 . LEU . 10193 1 24 . ILE . 10193 1 25 . LYS . 10193 1 26 . TYR . 10193 1 27 . PRO . 10193 1 28 . PRO . 10193 1 29 . GLU . 10193 1 30 . GLU . 10193 1 31 . VAL . 10193 1 32 . GLU . 10193 1 33 . SER . 10193 1 34 . ARG . 10193 1 35 . ARG . 10193 1 36 . TRP . 10193 1 37 . GLN . 10193 1 38 . LYS . 10193 1 39 . ILE . 10193 1 40 . ALA . 10193 1 41 . ASP . 10193 1 42 . GLU . 10193 1 43 . LEU . 10193 1 44 . GLY . 10193 1 45 . ASN . 10193 1 46 . ARG . 10193 1 47 . THR . 10193 1 48 . ALA . 10193 1 49 . LYS . 10193 1 50 . GLN . 10193 1 51 . VAL . 10193 1 52 . ALA . 10193 1 53 . SER . 10193 1 54 . GLN . 10193 1 55 . VAL . 10193 1 56 . GLN . 10193 1 57 . LYS . 10193 1 58 . TYR . 10193 1 59 . PHE . 10193 1 60 . ILE . 10193 1 61 . LYS . 10193 1 62 . LEU . 10193 1 63 . THR . 10193 1 64 . LYS . 10193 1 65 . ALA . 10193 1 66 . GLY . 10193 1 67 . ILE . 10193 1 68 . PRO . 10193 1 69 . VAL . 10193 1 70 . SER . 10193 1 71 . GLY . 10193 1 72 . PRO . 10193 1 73 . SER . 10193 1 74 . SER . 10193 1 75 . GLY . 10193 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 10193 1 . SER 2 2 10193 1 . SER 3 3 10193 1 . GLY 4 4 10193 1 . SER 5 5 10193 1 . SER 6 6 10193 1 . GLY 7 7 10193 1 . ASN 8 8 10193 1 . GLN 9 9 10193 1 . LEU 10 10 10193 1 . TRP 11 11 10193 1 . THR 12 12 10193 1 . VAL 13 13 10193 1 . GLU 14 14 10193 1 . GLU 15 15 10193 1 . GLN 16 16 10193 1 . LYS 17 17 10193 1 . LYS 18 18 10193 1 . LEU 19 19 10193 1 . GLU 20 20 10193 1 . GLN 21 21 10193 1 . LEU 22 22 10193 1 . LEU 23 23 10193 1 . ILE 24 24 10193 1 . LYS 25 25 10193 1 . TYR 26 26 10193 1 . PRO 27 27 10193 1 . PRO 28 28 10193 1 . GLU 29 29 10193 1 . GLU 30 30 10193 1 . VAL 31 31 10193 1 . GLU 32 32 10193 1 . SER 33 33 10193 1 . ARG 34 34 10193 1 . ARG 35 35 10193 1 . TRP 36 36 10193 1 . GLN 37 37 10193 1 . LYS 38 38 10193 1 . ILE 39 39 10193 1 . ALA 40 40 10193 1 . ASP 41 41 10193 1 . GLU 42 42 10193 1 . LEU 43 43 10193 1 . GLY 44 44 10193 1 . ASN 45 45 10193 1 . ARG 46 46 10193 1 . THR 47 47 10193 1 . ALA 48 48 10193 1 . LYS 49 49 10193 1 . GLN 50 50 10193 1 . VAL 51 51 10193 1 . ALA 52 52 10193 1 . SER 53 53 10193 1 . GLN 54 54 10193 1 . VAL 55 55 10193 1 . GLN 56 56 10193 1 . LYS 57 57 10193 1 . TYR 58 58 10193 1 . PHE 59 59 10193 1 . ILE 60 60 10193 1 . LYS 61 61 10193 1 . LEU 62 62 10193 1 . THR 63 63 10193 1 . LYS 64 64 10193 1 . ALA 65 65 10193 1 . GLY 66 66 10193 1 . ILE 67 67 10193 1 . PRO 68 68 10193 1 . VAL 69 69 10193 1 . SER 70 70 10193 1 . GLY 71 71 10193 1 . PRO 72 72 10193 1 . SER 73 73 10193 1 . SER 74 74 10193 1 . GLY 75 75 10193 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 10193 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10193 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 10193 _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 . . P050613-19 . . . . . . 10193 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10193 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Myb-like DNA-binding domain, UNP residues 652-713' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 10193 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10193 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10193 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10193 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10193 1 6 H2O . . . . . . solvent 90 . . % . . . . 10193 1 7 D2O . . . . . . solvent 10 . . % . . . . 10193 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 10193 _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 10193 1 pH 7.0 0.05 pH 10193 1 pressure 1 0.001 atm 10193 1 temperature 298 0.1 K 10193 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10193 _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 . . 10193 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10193 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10193 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10193 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10193 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10193 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10193 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10193 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10193 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10193 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10193 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10193 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10193 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10193 5 'structure solution' 10193 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10193 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10193 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10193 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10193 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10193 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10193 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10193 _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 . . . . . . . . . 10193 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10193 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10193 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 10193 _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 10193 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10193 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 9 9 GLN CA C 13 56.082 0.300 . 1 . . . . 9 GLN CA . 10193 1 2 . 1 1 9 9 GLN HA H 1 4.326 0.030 . 1 . . . . 9 GLN HA . 10193 1 3 . 1 1 9 9 GLN CB C 13 29.035 0.300 . 1 . . . . 9 GLN CB . 10193 1 4 . 1 1 9 9 GLN HB2 H 1 1.976 0.030 . 2 . . . . 9 GLN HB2 . 10193 1 5 . 1 1 9 9 GLN HB3 H 1 2.125 0.030 . 2 . . . . 9 GLN HB3 . 10193 1 6 . 1 1 9 9 GLN CG C 13 33.646 0.300 . 1 . . . . 9 GLN CG . 10193 1 7 . 1 1 9 9 GLN HG2 H 1 2.406 0.030 . 2 . . . . 9 GLN HG2 . 10193 1 8 . 1 1 9 9 GLN HG3 H 1 2.349 0.030 . 2 . . . . 9 GLN HG3 . 10193 1 9 . 1 1 9 9 GLN C C 13 176.519 0.300 . 1 . . . . 9 GLN C . 10193 1 10 . 1 1 10 10 LEU N N 15 124.239 0.300 . 1 . . . . 10 LEU N . 10193 1 11 . 1 1 10 10 LEU H H 1 8.287 0.030 . 1 . . . . 10 LEU H . 10193 1 12 . 1 1 10 10 LEU CA C 13 55.553 0.300 . 1 . . . . 10 LEU CA . 10193 1 13 . 1 1 10 10 LEU HA H 1 4.390 0.030 . 1 . . . . 10 LEU HA . 10193 1 14 . 1 1 10 10 LEU CB C 13 42.168 0.300 . 1 . . . . 10 LEU CB . 10193 1 15 . 1 1 10 10 LEU HB2 H 1 1.662 0.030 . 2 . . . . 10 LEU HB2 . 10193 1 16 . 1 1 10 10 LEU HB3 H 1 1.592 0.030 . 2 . . . . 10 LEU HB3 . 10193 1 17 . 1 1 10 10 LEU CG C 13 26.976 0.300 . 1 . . . . 10 LEU CG . 10193 1 18 . 1 1 10 10 LEU HG H 1 1.660 0.030 . 1 . . . . 10 LEU HG . 10193 1 19 . 1 1 10 10 LEU CD1 C 13 24.866 0.300 . 2 . . . . 10 LEU CD1 . 10193 1 20 . 1 1 10 10 LEU HD11 H 1 0.928 0.030 . 1 . . . . 10 LEU HD1 . 10193 1 21 . 1 1 10 10 LEU HD12 H 1 0.928 0.030 . 1 . . . . 10 LEU HD1 . 10193 1 22 . 1 1 10 10 LEU HD13 H 1 0.928 0.030 . 1 . . . . 10 LEU HD1 . 10193 1 23 . 1 1 10 10 LEU CD2 C 13 23.748 0.300 . 2 . . . . 10 LEU CD2 . 10193 1 24 . 1 1 10 10 LEU HD21 H 1 0.908 0.030 . 1 . . . . 10 LEU HD2 . 10193 1 25 . 1 1 10 10 LEU HD22 H 1 0.908 0.030 . 1 . . . . 10 LEU HD2 . 10193 1 26 . 1 1 10 10 LEU HD23 H 1 0.908 0.030 . 1 . . . . 10 LEU HD2 . 10193 1 27 . 1 1 10 10 LEU C C 13 177.357 0.300 . 1 . . . . 10 LEU C . 10193 1 28 . 1 1 11 11 TRP N N 15 124.940 0.300 . 1 . . . . 11 TRP N . 10193 1 29 . 1 1 11 11 TRP H H 1 8.879 0.030 . 1 . . . . 11 TRP H . 10193 1 30 . 1 1 11 11 TRP CA C 13 56.849 0.300 . 1 . . . . 11 TRP CA . 10193 1 31 . 1 1 11 11 TRP HA H 1 4.668 0.030 . 1 . . . . 11 TRP HA . 10193 1 32 . 1 1 11 11 TRP CB C 13 28.603 0.300 . 1 . . . . 11 TRP CB . 10193 1 33 . 1 1 11 11 TRP HB2 H 1 3.092 0.030 . 2 . . . . 11 TRP HB2 . 10193 1 34 . 1 1 11 11 TRP HB3 H 1 2.971 0.030 . 2 . . . . 11 TRP HB3 . 10193 1 35 . 1 1 11 11 TRP CD1 C 13 126.903 0.300 . 1 . . . . 11 TRP CD1 . 10193 1 36 . 1 1 11 11 TRP HD1 H 1 7.243 0.030 . 1 . . . . 11 TRP HD1 . 10193 1 37 . 1 1 11 11 TRP NE1 N 15 130.305 0.300 . 1 . . . . 11 TRP NE1 . 10193 1 38 . 1 1 11 11 TRP HE1 H 1 10.122 0.030 . 1 . . . . 11 TRP HE1 . 10193 1 39 . 1 1 11 11 TRP CE3 C 13 120.178 0.300 . 1 . . . . 11 TRP CE3 . 10193 1 40 . 1 1 11 11 TRP HE3 H 1 7.191 0.030 . 1 . . . . 11 TRP HE3 . 10193 1 41 . 1 1 11 11 TRP CZ2 C 13 112.535 0.300 . 1 . . . . 11 TRP CZ2 . 10193 1 42 . 1 1 11 11 TRP HZ2 H 1 6.916 0.030 . 1 . . . . 11 TRP HZ2 . 10193 1 43 . 1 1 11 11 TRP CZ3 C 13 121.491 0.300 . 1 . . . . 11 TRP CZ3 . 10193 1 44 . 1 1 11 11 TRP HZ3 H 1 6.866 0.030 . 1 . . . . 11 TRP HZ3 . 10193 1 45 . 1 1 11 11 TRP CH2 C 13 122.291 0.300 . 1 . . . . 11 TRP CH2 . 10193 1 46 . 1 1 11 11 TRP HH2 H 1 6.705 0.030 . 1 . . . . 11 TRP HH2 . 10193 1 47 . 1 1 11 11 TRP C C 13 177.416 0.300 . 1 . . . . 11 TRP C . 10193 1 48 . 1 1 12 12 THR N N 15 115.857 0.300 . 1 . . . . 12 THR N . 10193 1 49 . 1 1 12 12 THR H H 1 8.760 0.030 . 1 . . . . 12 THR H . 10193 1 50 . 1 1 12 12 THR CA C 13 60.885 0.300 . 1 . . . . 12 THR CA . 10193 1 51 . 1 1 12 12 THR HA H 1 4.509 0.030 . 1 . . . . 12 THR HA . 10193 1 52 . 1 1 12 12 THR CB C 13 71.142 0.300 . 1 . . . . 12 THR CB . 10193 1 53 . 1 1 12 12 THR HB H 1 4.838 0.030 . 1 . . . . 12 THR HB . 10193 1 54 . 1 1 12 12 THR CG2 C 13 21.908 0.300 . 1 . . . . 12 THR CG2 . 10193 1 55 . 1 1 12 12 THR HG21 H 1 1.346 0.030 . 1 . . . . 12 THR HG2 . 10193 1 56 . 1 1 12 12 THR HG22 H 1 1.346 0.030 . 1 . . . . 12 THR HG2 . 10193 1 57 . 1 1 12 12 THR HG23 H 1 1.346 0.030 . 1 . . . . 12 THR HG2 . 10193 1 58 . 1 1 12 12 THR C C 13 175.828 0.300 . 1 . . . . 12 THR C . 10193 1 59 . 1 1 13 13 VAL N N 15 121.033 0.300 . 1 . . . . 13 VAL N . 10193 1 60 . 1 1 13 13 VAL H H 1 8.782 0.030 . 1 . . . . 13 VAL H . 10193 1 61 . 1 1 13 13 VAL CA C 13 66.558 0.300 . 1 . . . . 13 VAL CA . 10193 1 62 . 1 1 13 13 VAL HA H 1 3.784 0.030 . 1 . . . . 13 VAL HA . 10193 1 63 . 1 1 13 13 VAL CB C 13 31.659 0.300 . 1 . . . . 13 VAL CB . 10193 1 64 . 1 1 13 13 VAL HB H 1 2.098 0.030 . 1 . . . . 13 VAL HB . 10193 1 65 . 1 1 13 13 VAL CG1 C 13 22.184 0.300 . 2 . . . . 13 VAL CG1 . 10193 1 66 . 1 1 13 13 VAL HG11 H 1 1.118 0.030 . 1 . . . . 13 VAL HG1 . 10193 1 67 . 1 1 13 13 VAL HG12 H 1 1.118 0.030 . 1 . . . . 13 VAL HG1 . 10193 1 68 . 1 1 13 13 VAL HG13 H 1 1.118 0.030 . 1 . . . . 13 VAL HG1 . 10193 1 69 . 1 1 13 13 VAL CG2 C 13 21.057 0.300 . 2 . . . . 13 VAL CG2 . 10193 1 70 . 1 1 13 13 VAL HG21 H 1 1.007 0.030 . 1 . . . . 13 VAL HG2 . 10193 1 71 . 1 1 13 13 VAL HG22 H 1 1.007 0.030 . 1 . . . . 13 VAL HG2 . 10193 1 72 . 1 1 13 13 VAL HG23 H 1 1.007 0.030 . 1 . . . . 13 VAL HG2 . 10193 1 73 . 1 1 13 13 VAL C C 13 178.595 0.300 . 1 . . . . 13 VAL C . 10193 1 74 . 1 1 14 14 GLU N N 15 119.290 0.300 . 1 . . . . 14 GLU N . 10193 1 75 . 1 1 14 14 GLU H H 1 8.586 0.030 . 1 . . . . 14 GLU H . 10193 1 76 . 1 1 14 14 GLU CA C 13 60.285 0.300 . 1 . . . . 14 GLU CA . 10193 1 77 . 1 1 14 14 GLU HA H 1 4.024 0.030 . 1 . . . . 14 GLU HA . 10193 1 78 . 1 1 14 14 GLU CB C 13 29.039 0.300 . 1 . . . . 14 GLU CB . 10193 1 79 . 1 1 14 14 GLU HB2 H 1 2.084 0.030 . 2 . . . . 14 GLU HB2 . 10193 1 80 . 1 1 14 14 GLU HB3 H 1 1.964 0.030 . 2 . . . . 14 GLU HB3 . 10193 1 81 . 1 1 14 14 GLU CG C 13 36.901 0.300 . 1 . . . . 14 GLU CG . 10193 1 82 . 1 1 14 14 GLU HG2 H 1 2.313 0.030 . 2 . . . . 14 GLU HG2 . 10193 1 83 . 1 1 14 14 GLU HG3 H 1 2.400 0.030 . 2 . . . . 14 GLU HG3 . 10193 1 84 . 1 1 14 14 GLU C C 13 179.736 0.300 . 1 . . . . 14 GLU C . 10193 1 85 . 1 1 15 15 GLU N N 15 121.533 0.300 . 1 . . . . 15 GLU N . 10193 1 86 . 1 1 15 15 GLU H H 1 7.934 0.030 . 1 . . . . 15 GLU H . 10193 1 87 . 1 1 15 15 GLU CA C 13 59.834 0.300 . 1 . . . . 15 GLU CA . 10193 1 88 . 1 1 15 15 GLU HA H 1 3.990 0.030 . 1 . . . . 15 GLU HA . 10193 1 89 . 1 1 15 15 GLU CB C 13 31.315 0.300 . 1 . . . . 15 GLU CB . 10193 1 90 . 1 1 15 15 GLU HB2 H 1 2.357 0.030 . 2 . . . . 15 GLU HB2 . 10193 1 91 . 1 1 15 15 GLU HB3 H 1 2.184 0.030 . 2 . . . . 15 GLU HB3 . 10193 1 92 . 1 1 15 15 GLU CG C 13 37.818 0.300 . 1 . . . . 15 GLU CG . 10193 1 93 . 1 1 15 15 GLU HG2 H 1 2.179 0.030 . 2 . . . . 15 GLU HG2 . 10193 1 94 . 1 1 15 15 GLU HG3 H 1 2.400 0.030 . 2 . . . . 15 GLU HG3 . 10193 1 95 . 1 1 15 15 GLU C C 13 178.886 0.300 . 1 . . . . 15 GLU C . 10193 1 96 . 1 1 16 16 GLN N N 15 119.475 0.300 . 1 . . . . 16 GLN N . 10193 1 97 . 1 1 16 16 GLN H H 1 8.595 0.030 . 1 . . . . 16 GLN H . 10193 1 98 . 1 1 16 16 GLN CA C 13 59.369 0.300 . 1 . . . . 16 GLN CA . 10193 1 99 . 1 1 16 16 GLN HA H 1 4.104 0.030 . 1 . . . . 16 GLN HA . 10193 1 100 . 1 1 16 16 GLN CB C 13 28.376 0.300 . 1 . . . . 16 GLN CB . 10193 1 101 . 1 1 16 16 GLN HB2 H 1 2.163 0.030 . 2 . . . . 16 GLN HB2 . 10193 1 102 . 1 1 16 16 GLN HB3 H 1 2.282 0.030 . 2 . . . . 16 GLN HB3 . 10193 1 103 . 1 1 16 16 GLN CG C 13 33.614 0.300 . 1 . . . . 16 GLN CG . 10193 1 104 . 1 1 16 16 GLN HG2 H 1 2.203 0.030 . 2 . . . . 16 GLN HG2 . 10193 1 105 . 1 1 16 16 GLN HG3 H 1 2.463 0.030 . 2 . . . . 16 GLN HG3 . 10193 1 106 . 1 1 16 16 GLN NE2 N 15 109.685 0.300 . 1 . . . . 16 GLN NE2 . 10193 1 107 . 1 1 16 16 GLN HE21 H 1 7.407 0.030 . 2 . . . . 16 GLN HE21 . 10193 1 108 . 1 1 16 16 GLN HE22 H 1 5.641 0.030 . 2 . . . . 16 GLN HE22 . 10193 1 109 . 1 1 16 16 GLN C C 13 178.548 0.300 . 1 . . . . 16 GLN C . 10193 1 110 . 1 1 17 17 LYS N N 15 119.404 0.300 . 1 . . . . 17 LYS N . 10193 1 111 . 1 1 17 17 LYS H H 1 8.241 0.030 . 1 . . . . 17 LYS H . 10193 1 112 . 1 1 17 17 LYS CA C 13 59.175 0.300 . 1 . . . . 17 LYS CA . 10193 1 113 . 1 1 17 17 LYS HA H 1 4.103 0.030 . 1 . . . . 17 LYS HA . 10193 1 114 . 1 1 17 17 LYS CB C 13 31.980 0.300 . 1 . . . . 17 LYS CB . 10193 1 115 . 1 1 17 17 LYS HB2 H 1 1.959 0.030 . 2 . . . . 17 LYS HB2 . 10193 1 116 . 1 1 17 17 LYS HB3 H 1 1.928 0.030 . 2 . . . . 17 LYS HB3 . 10193 1 117 . 1 1 17 17 LYS CG C 13 25.140 0.300 . 1 . . . . 17 LYS CG . 10193 1 118 . 1 1 17 17 LYS HG2 H 1 1.506 0.030 . 2 . . . . 17 LYS HG2 . 10193 1 119 . 1 1 17 17 LYS HG3 H 1 1.628 0.030 . 2 . . . . 17 LYS HG3 . 10193 1 120 . 1 1 17 17 LYS CD C 13 28.943 0.300 . 1 . . . . 17 LYS CD . 10193 1 121 . 1 1 17 17 LYS HD2 H 1 1.693 0.030 . 1 . . . . 17 LYS HD2 . 10193 1 122 . 1 1 17 17 LYS HD3 H 1 1.693 0.030 . 1 . . . . 17 LYS HD3 . 10193 1 123 . 1 1 17 17 LYS CE C 13 42.136 0.300 . 1 . . . . 17 LYS CE . 10193 1 124 . 1 1 17 17 LYS HE2 H 1 2.939 0.030 . 1 . . . . 17 LYS HE2 . 10193 1 125 . 1 1 17 17 LYS HE3 H 1 2.939 0.030 . 1 . . . . 17 LYS HE3 . 10193 1 126 . 1 1 17 17 LYS C C 13 179.663 0.300 . 1 . . . . 17 LYS C . 10193 1 127 . 1 1 18 18 LYS N N 15 120.546 0.300 . 1 . . . . 18 LYS N . 10193 1 128 . 1 1 18 18 LYS H H 1 7.852 0.030 . 1 . . . . 18 LYS H . 10193 1 129 . 1 1 18 18 LYS CA C 13 59.432 0.300 . 1 . . . . 18 LYS CA . 10193 1 130 . 1 1 18 18 LYS HA H 1 4.157 0.030 . 1 . . . . 18 LYS HA . 10193 1 131 . 1 1 18 18 LYS CB C 13 32.166 0.300 . 1 . . . . 18 LYS CB . 10193 1 132 . 1 1 18 18 LYS HB2 H 1 1.969 0.030 . 1 . . . . 18 LYS HB2 . 10193 1 133 . 1 1 18 18 LYS HB3 H 1 1.969 0.030 . 1 . . . . 18 LYS HB3 . 10193 1 134 . 1 1 18 18 LYS CG C 13 25.416 0.300 . 1 . . . . 18 LYS CG . 10193 1 135 . 1 1 18 18 LYS HG2 H 1 1.491 0.030 . 2 . . . . 18 LYS HG2 . 10193 1 136 . 1 1 18 18 LYS HG3 H 1 1.622 0.030 . 2 . . . . 18 LYS HG3 . 10193 1 137 . 1 1 18 18 LYS CD C 13 29.434 0.300 . 1 . . . . 18 LYS CD . 10193 1 138 . 1 1 18 18 LYS HD2 H 1 1.770 0.030 . 1 . . . . 18 LYS HD2 . 10193 1 139 . 1 1 18 18 LYS HD3 H 1 1.770 0.030 . 1 . . . . 18 LYS HD3 . 10193 1 140 . 1 1 18 18 LYS CE C 13 42.190 0.300 . 1 . . . . 18 LYS CE . 10193 1 141 . 1 1 18 18 LYS HE2 H 1 2.965 0.030 . 1 . . . . 18 LYS HE2 . 10193 1 142 . 1 1 18 18 LYS HE3 H 1 2.965 0.030 . 1 . . . . 18 LYS HE3 . 10193 1 143 . 1 1 18 18 LYS C C 13 179.003 0.300 . 1 . . . . 18 LYS C . 10193 1 144 . 1 1 19 19 LEU N N 15 120.782 0.300 . 1 . . . . 19 LEU N . 10193 1 145 . 1 1 19 19 LEU H H 1 8.639 0.030 . 1 . . . . 19 LEU H . 10193 1 146 . 1 1 19 19 LEU CA C 13 58.729 0.300 . 1 . . . . 19 LEU CA . 10193 1 147 . 1 1 19 19 LEU HA H 1 4.042 0.030 . 1 . . . . 19 LEU HA . 10193 1 148 . 1 1 19 19 LEU CB C 13 41.465 0.300 . 1 . . . . 19 LEU CB . 10193 1 149 . 1 1 19 19 LEU HB2 H 1 1.710 0.030 . 2 . . . . 19 LEU HB2 . 10193 1 150 . 1 1 19 19 LEU HB3 H 1 2.292 0.030 . 2 . . . . 19 LEU HB3 . 10193 1 151 . 1 1 19 19 LEU CG C 13 27.125 0.300 . 1 . . . . 19 LEU CG . 10193 1 152 . 1 1 19 19 LEU HG H 1 1.338 0.030 . 1 . . . . 19 LEU HG . 10193 1 153 . 1 1 19 19 LEU CD1 C 13 24.277 0.300 . 2 . . . . 19 LEU CD1 . 10193 1 154 . 1 1 19 19 LEU HD11 H 1 0.924 0.030 . 1 . . . . 19 LEU HD1 . 10193 1 155 . 1 1 19 19 LEU HD12 H 1 0.924 0.030 . 1 . . . . 19 LEU HD1 . 10193 1 156 . 1 1 19 19 LEU HD13 H 1 0.924 0.030 . 1 . . . . 19 LEU HD1 . 10193 1 157 . 1 1 19 19 LEU CD2 C 13 25.710 0.300 . 2 . . . . 19 LEU CD2 . 10193 1 158 . 1 1 19 19 LEU HD21 H 1 0.547 0.030 . 1 . . . . 19 LEU HD2 . 10193 1 159 . 1 1 19 19 LEU HD22 H 1 0.547 0.030 . 1 . . . . 19 LEU HD2 . 10193 1 160 . 1 1 19 19 LEU HD23 H 1 0.547 0.030 . 1 . . . . 19 LEU HD2 . 10193 1 161 . 1 1 19 19 LEU C C 13 177.410 0.300 . 1 . . . . 19 LEU C . 10193 1 162 . 1 1 20 20 GLU N N 15 116.982 0.300 . 1 . . . . 20 GLU N . 10193 1 163 . 1 1 20 20 GLU H H 1 7.981 0.030 . 1 . . . . 20 GLU H . 10193 1 164 . 1 1 20 20 GLU CA C 13 60.285 0.300 . 1 . . . . 20 GLU CA . 10193 1 165 . 1 1 20 20 GLU HA H 1 3.647 0.030 . 1 . . . . 20 GLU HA . 10193 1 166 . 1 1 20 20 GLU CB C 13 29.612 0.300 . 1 . . . . 20 GLU CB . 10193 1 167 . 1 1 20 20 GLU HB2 H 1 2.152 0.030 . 2 . . . . 20 GLU HB2 . 10193 1 168 . 1 1 20 20 GLU HB3 H 1 2.159 0.030 . 2 . . . . 20 GLU HB3 . 10193 1 169 . 1 1 20 20 GLU CG C 13 36.592 0.300 . 1 . . . . 20 GLU CG . 10193 1 170 . 1 1 20 20 GLU HG2 H 1 2.435 0.030 . 2 . . . . 20 GLU HG2 . 10193 1 171 . 1 1 20 20 GLU HG3 H 1 2.022 0.030 . 2 . . . . 20 GLU HG3 . 10193 1 172 . 1 1 20 20 GLU C C 13 179.066 0.300 . 1 . . . . 20 GLU C . 10193 1 173 . 1 1 21 21 GLN N N 15 115.877 0.300 . 1 . . . . 21 GLN N . 10193 1 174 . 1 1 21 21 GLN H H 1 7.518 0.030 . 1 . . . . 21 GLN H . 10193 1 175 . 1 1 21 21 GLN CA C 13 58.409 0.300 . 1 . . . . 21 GLN CA . 10193 1 176 . 1 1 21 21 GLN HA H 1 4.112 0.030 . 1 . . . . 21 GLN HA . 10193 1 177 . 1 1 21 21 GLN CB C 13 28.405 0.300 . 1 . . . . 21 GLN CB . 10193 1 178 . 1 1 21 21 GLN HB2 H 1 2.350 0.030 . 2 . . . . 21 GLN HB2 . 10193 1 179 . 1 1 21 21 GLN HB3 H 1 2.191 0.030 . 2 . . . . 21 GLN HB3 . 10193 1 180 . 1 1 21 21 GLN CG C 13 33.921 0.300 . 1 . . . . 21 GLN CG . 10193 1 181 . 1 1 21 21 GLN HG2 H 1 2.597 0.030 . 2 . . . . 21 GLN HG2 . 10193 1 182 . 1 1 21 21 GLN HG3 H 1 2.477 0.030 . 2 . . . . 21 GLN HG3 . 10193 1 183 . 1 1 21 21 GLN NE2 N 15 112.136 0.300 . 1 . . . . 21 GLN NE2 . 10193 1 184 . 1 1 21 21 GLN HE21 H 1 7.532 0.030 . 2 . . . . 21 GLN HE21 . 10193 1 185 . 1 1 21 21 GLN HE22 H 1 6.860 0.030 . 2 . . . . 21 GLN HE22 . 10193 1 186 . 1 1 21 21 GLN C C 13 180.271 0.300 . 1 . . . . 21 GLN C . 10193 1 187 . 1 1 22 22 LEU N N 15 123.461 0.300 . 1 . . . . 22 LEU N . 10193 1 188 . 1 1 22 22 LEU H H 1 8.775 0.030 . 1 . . . . 22 LEU H . 10193 1 189 . 1 1 22 22 LEU CA C 13 57.782 0.300 . 1 . . . . 22 LEU CA . 10193 1 190 . 1 1 22 22 LEU HA H 1 4.243 0.030 . 1 . . . . 22 LEU HA . 10193 1 191 . 1 1 22 22 LEU CB C 13 42.687 0.300 . 1 . . . . 22 LEU CB . 10193 1 192 . 1 1 22 22 LEU HB2 H 1 1.688 0.030 . 2 . . . . 22 LEU HB2 . 10193 1 193 . 1 1 22 22 LEU HB3 H 1 2.256 0.030 . 2 . . . . 22 LEU HB3 . 10193 1 194 . 1 1 22 22 LEU CG C 13 27.379 0.300 . 1 . . . . 22 LEU CG . 10193 1 195 . 1 1 22 22 LEU HG H 1 2.089 0.030 . 1 . . . . 22 LEU HG . 10193 1 196 . 1 1 22 22 LEU CD1 C 13 27.759 0.300 . 2 . . . . 22 LEU CD1 . 10193 1 197 . 1 1 22 22 LEU HD11 H 1 1.048 0.030 . 1 . . . . 22 LEU HD1 . 10193 1 198 . 1 1 22 22 LEU HD12 H 1 1.048 0.030 . 1 . . . . 22 LEU HD1 . 10193 1 199 . 1 1 22 22 LEU HD13 H 1 1.048 0.030 . 1 . . . . 22 LEU HD1 . 10193 1 200 . 1 1 22 22 LEU CD2 C 13 24.108 0.300 . 2 . . . . 22 LEU CD2 . 10193 1 201 . 1 1 22 22 LEU HD21 H 1 1.058 0.030 . 1 . . . . 22 LEU HD2 . 10193 1 202 . 1 1 22 22 LEU HD22 H 1 1.058 0.030 . 1 . . . . 22 LEU HD2 . 10193 1 203 . 1 1 22 22 LEU HD23 H 1 1.058 0.030 . 1 . . . . 22 LEU HD2 . 10193 1 204 . 1 1 22 22 LEU C C 13 178.112 0.300 . 1 . . . . 22 LEU C . 10193 1 205 . 1 1 23 23 LEU N N 15 119.576 0.300 . 1 . . . . 23 LEU N . 10193 1 206 . 1 1 23 23 LEU H H 1 8.260 0.030 . 1 . . . . 23 LEU H . 10193 1 207 . 1 1 23 23 LEU CA C 13 57.281 0.300 . 1 . . . . 23 LEU CA . 10193 1 208 . 1 1 23 23 LEU HA H 1 4.174 0.030 . 1 . . . . 23 LEU HA . 10193 1 209 . 1 1 23 23 LEU CB C 13 42.175 0.300 . 1 . . . . 23 LEU CB . 10193 1 210 . 1 1 23 23 LEU HB2 H 1 1.432 0.030 . 2 . . . . 23 LEU HB2 . 10193 1 211 . 1 1 23 23 LEU HB3 H 1 1.962 0.030 . 2 . . . . 23 LEU HB3 . 10193 1 212 . 1 1 23 23 LEU CG C 13 26.842 0.300 . 1 . . . . 23 LEU CG . 10193 1 213 . 1 1 23 23 LEU HG H 1 1.845 0.030 . 1 . . . . 23 LEU HG . 10193 1 214 . 1 1 23 23 LEU CD1 C 13 26.712 0.300 . 2 . . . . 23 LEU CD1 . 10193 1 215 . 1 1 23 23 LEU HD11 H 1 0.718 0.030 . 1 . . . . 23 LEU HD1 . 10193 1 216 . 1 1 23 23 LEU HD12 H 1 0.718 0.030 . 1 . . . . 23 LEU HD1 . 10193 1 217 . 1 1 23 23 LEU HD13 H 1 0.718 0.030 . 1 . . . . 23 LEU HD1 . 10193 1 218 . 1 1 23 23 LEU CD2 C 13 23.496 0.300 . 2 . . . . 23 LEU CD2 . 10193 1 219 . 1 1 23 23 LEU HD21 H 1 1.013 0.030 . 1 . . . . 23 LEU HD2 . 10193 1 220 . 1 1 23 23 LEU HD22 H 1 1.013 0.030 . 1 . . . . 23 LEU HD2 . 10193 1 221 . 1 1 23 23 LEU HD23 H 1 1.013 0.030 . 1 . . . . 23 LEU HD2 . 10193 1 222 . 1 1 23 23 LEU C C 13 177.927 0.300 . 1 . . . . 23 LEU C . 10193 1 223 . 1 1 24 24 ILE N N 15 116.614 0.300 . 1 . . . . 24 ILE N . 10193 1 224 . 1 1 24 24 ILE H H 1 6.949 0.030 . 1 . . . . 24 ILE H . 10193 1 225 . 1 1 24 24 ILE CA C 13 62.755 0.300 . 1 . . . . 24 ILE CA . 10193 1 226 . 1 1 24 24 ILE HA H 1 3.787 0.030 . 1 . . . . 24 ILE HA . 10193 1 227 . 1 1 24 24 ILE CB C 13 38.208 0.300 . 1 . . . . 24 ILE CB . 10193 1 228 . 1 1 24 24 ILE HB H 1 1.981 0.030 . 1 . . . . 24 ILE HB . 10193 1 229 . 1 1 24 24 ILE CG1 C 13 28.292 0.300 . 1 . . . . 24 ILE CG1 . 10193 1 230 . 1 1 24 24 ILE HG12 H 1 1.707 0.030 . 2 . . . . 24 ILE HG12 . 10193 1 231 . 1 1 24 24 ILE HG13 H 1 1.180 0.030 . 2 . . . . 24 ILE HG13 . 10193 1 232 . 1 1 24 24 ILE CG2 C 13 17.343 0.300 . 1 . . . . 24 ILE CG2 . 10193 1 233 . 1 1 24 24 ILE HG21 H 1 0.889 0.030 . 1 . . . . 24 ILE HG2 . 10193 1 234 . 1 1 24 24 ILE HG22 H 1 0.889 0.030 . 1 . . . . 24 ILE HG2 . 10193 1 235 . 1 1 24 24 ILE HG23 H 1 0.889 0.030 . 1 . . . . 24 ILE HG2 . 10193 1 236 . 1 1 24 24 ILE CD1 C 13 12.751 0.300 . 1 . . . . 24 ILE CD1 . 10193 1 237 . 1 1 24 24 ILE HD11 H 1 0.877 0.030 . 1 . . . . 24 ILE HD1 . 10193 1 238 . 1 1 24 24 ILE HD12 H 1 0.877 0.030 . 1 . . . . 24 ILE HD1 . 10193 1 239 . 1 1 24 24 ILE HD13 H 1 0.877 0.030 . 1 . . . . 24 ILE HD1 . 10193 1 240 . 1 1 24 24 ILE C C 13 177.066 0.300 . 1 . . . . 24 ILE C . 10193 1 241 . 1 1 25 25 LYS N N 15 121.060 0.300 . 1 . . . . 25 LYS N . 10193 1 242 . 1 1 25 25 LYS H H 1 7.421 0.030 . 1 . . . . 25 LYS H . 10193 1 243 . 1 1 25 25 LYS CA C 13 59.281 0.300 . 1 . . . . 25 LYS CA . 10193 1 244 . 1 1 25 25 LYS HA H 1 3.726 0.030 . 1 . . . . 25 LYS HA . 10193 1 245 . 1 1 25 25 LYS CB C 13 34.011 0.300 . 1 . . . . 25 LYS CB . 10193 1 246 . 1 1 25 25 LYS HB2 H 1 1.689 0.030 . 2 . . . . 25 LYS HB2 . 10193 1 247 . 1 1 25 25 LYS HB3 H 1 1.580 0.030 . 2 . . . . 25 LYS HB3 . 10193 1 248 . 1 1 25 25 LYS CG C 13 24.951 0.300 . 1 . . . . 25 LYS CG . 10193 1 249 . 1 1 25 25 LYS HG2 H 1 1.037 0.030 . 2 . . . . 25 LYS HG2 . 10193 1 250 . 1 1 25 25 LYS HG3 H 1 0.183 0.030 . 2 . . . . 25 LYS HG3 . 10193 1 251 . 1 1 25 25 LYS CD C 13 30.311 0.300 . 1 . . . . 25 LYS CD . 10193 1 252 . 1 1 25 25 LYS HD2 H 1 1.379 0.030 . 2 . . . . 25 LYS HD2 . 10193 1 253 . 1 1 25 25 LYS HD3 H 1 1.489 0.030 . 2 . . . . 25 LYS HD3 . 10193 1 254 . 1 1 25 25 LYS CE C 13 42.195 0.300 . 1 . . . . 25 LYS CE . 10193 1 255 . 1 1 25 25 LYS HE2 H 1 2.721 0.030 . 2 . . . . 25 LYS HE2 . 10193 1 256 . 1 1 25 25 LYS HE3 H 1 2.789 0.030 . 2 . . . . 25 LYS HE3 . 10193 1 257 . 1 1 25 25 LYS C C 13 175.900 0.300 . 1 . . . . 25 LYS C . 10193 1 258 . 1 1 26 26 TYR N N 15 117.015 0.300 . 1 . . . . 26 TYR N . 10193 1 259 . 1 1 26 26 TYR H H 1 8.124 0.030 . 1 . . . . 26 TYR H . 10193 1 260 . 1 1 26 26 TYR CA C 13 54.995 0.300 . 1 . . . . 26 TYR CA . 10193 1 261 . 1 1 26 26 TYR HA H 1 4.988 0.030 . 1 . . . . 26 TYR HA . 10193 1 262 . 1 1 26 26 TYR CB C 13 37.055 0.300 . 1 . . . . 26 TYR CB . 10193 1 263 . 1 1 26 26 TYR HB2 H 1 2.974 0.030 . 2 . . . . 26 TYR HB2 . 10193 1 264 . 1 1 26 26 TYR HB3 H 1 3.132 0.030 . 2 . . . . 26 TYR HB3 . 10193 1 265 . 1 1 26 26 TYR CD1 C 13 133.777 0.300 . 1 . . . . 26 TYR CD1 . 10193 1 266 . 1 1 26 26 TYR HD1 H 1 7.296 0.030 . 1 . . . . 26 TYR HD1 . 10193 1 267 . 1 1 26 26 TYR CD2 C 13 133.777 0.300 . 1 . . . . 26 TYR CD2 . 10193 1 268 . 1 1 26 26 TYR HD2 H 1 7.296 0.030 . 1 . . . . 26 TYR HD2 . 10193 1 269 . 1 1 26 26 TYR CE1 C 13 117.361 0.300 . 1 . . . . 26 TYR CE1 . 10193 1 270 . 1 1 26 26 TYR HE1 H 1 6.819 0.030 . 1 . . . . 26 TYR HE1 . 10193 1 271 . 1 1 26 26 TYR CE2 C 13 117.361 0.300 . 1 . . . . 26 TYR CE2 . 10193 1 272 . 1 1 26 26 TYR HE2 H 1 6.819 0.030 . 1 . . . . 26 TYR HE2 . 10193 1 273 . 1 1 27 27 PRO CA C 13 62.102 0.300 . 1 . . . . 27 PRO CA . 10193 1 274 . 1 1 27 27 PRO HA H 1 4.833 0.030 . 1 . . . . 27 PRO HA . 10193 1 275 . 1 1 27 27 PRO CB C 13 30.960 0.300 . 1 . . . . 27 PRO CB . 10193 1 276 . 1 1 27 27 PRO HB2 H 1 2.041 0.030 . 2 . . . . 27 PRO HB2 . 10193 1 277 . 1 1 27 27 PRO HB3 H 1 2.424 0.030 . 2 . . . . 27 PRO HB3 . 10193 1 278 . 1 1 27 27 PRO CG C 13 26.588 0.300 . 1 . . . . 27 PRO CG . 10193 1 279 . 1 1 27 27 PRO HG2 H 1 1.967 0.030 . 2 . . . . 27 PRO HG2 . 10193 1 280 . 1 1 27 27 PRO HG3 H 1 1.863 0.030 . 2 . . . . 27 PRO HG3 . 10193 1 281 . 1 1 27 27 PRO CD C 13 51.220 0.300 . 1 . . . . 27 PRO CD . 10193 1 282 . 1 1 27 27 PRO HD2 H 1 3.838 0.030 . 2 . . . . 27 PRO HD2 . 10193 1 283 . 1 1 27 27 PRO HD3 H 1 3.700 0.030 . 2 . . . . 27 PRO HD3 . 10193 1 284 . 1 1 28 28 PRO CA C 13 64.218 0.300 . 1 . . . . 28 PRO CA . 10193 1 285 . 1 1 28 28 PRO HA H 1 4.127 0.030 . 1 . . . . 28 PRO HA . 10193 1 286 . 1 1 28 28 PRO CB C 13 31.726 0.300 . 1 . . . . 28 PRO CB . 10193 1 287 . 1 1 28 28 PRO HB2 H 1 1.703 0.030 . 2 . . . . 28 PRO HB2 . 10193 1 288 . 1 1 28 28 PRO HB3 H 1 2.288 0.030 . 2 . . . . 28 PRO HB3 . 10193 1 289 . 1 1 28 28 PRO CG C 13 28.267 0.300 . 1 . . . . 28 PRO CG . 10193 1 290 . 1 1 28 28 PRO HG2 H 1 1.891 0.030 . 2 . . . . 28 PRO HG2 . 10193 1 291 . 1 1 28 28 PRO HG3 H 1 2.101 0.030 . 2 . . . . 28 PRO HG3 . 10193 1 292 . 1 1 28 28 PRO CD C 13 50.724 0.300 . 1 . . . . 28 PRO CD . 10193 1 293 . 1 1 28 28 PRO HD2 H 1 3.538 0.030 . 2 . . . . 28 PRO HD2 . 10193 1 294 . 1 1 28 28 PRO HD3 H 1 3.809 0.030 . 2 . . . . 28 PRO HD3 . 10193 1 295 . 1 1 28 28 PRO C C 13 175.552 0.300 . 1 . . . . 28 PRO C . 10193 1 296 . 1 1 29 29 GLU N N 15 120.378 0.300 . 1 . . . . 29 GLU N . 10193 1 297 . 1 1 29 29 GLU H H 1 8.473 0.030 . 1 . . . . 29 GLU H . 10193 1 298 . 1 1 29 29 GLU CA C 13 54.425 0.300 . 1 . . . . 29 GLU CA . 10193 1 299 . 1 1 29 29 GLU HA H 1 4.734 0.030 . 1 . . . . 29 GLU HA . 10193 1 300 . 1 1 29 29 GLU CB C 13 33.430 0.300 . 1 . . . . 29 GLU CB . 10193 1 301 . 1 1 29 29 GLU HB2 H 1 2.070 0.030 . 2 . . . . 29 GLU HB2 . 10193 1 302 . 1 1 29 29 GLU HB3 H 1 1.954 0.030 . 2 . . . . 29 GLU HB3 . 10193 1 303 . 1 1 29 29 GLU CG C 13 35.888 0.300 . 1 . . . . 29 GLU CG . 10193 1 304 . 1 1 29 29 GLU HG2 H 1 1.949 0.030 . 2 . . . . 29 GLU HG2 . 10193 1 305 . 1 1 29 29 GLU HG3 H 1 1.885 0.030 . 2 . . . . 29 GLU HG3 . 10193 1 306 . 1 1 29 29 GLU C C 13 175.244 0.300 . 1 . . . . 29 GLU C . 10193 1 307 . 1 1 30 30 GLU N N 15 120.351 0.300 . 1 . . . . 30 GLU N . 10193 1 308 . 1 1 30 30 GLU H H 1 8.502 0.030 . 1 . . . . 30 GLU H . 10193 1 309 . 1 1 30 30 GLU CA C 13 60.066 0.300 . 1 . . . . 30 GLU CA . 10193 1 310 . 1 1 30 30 GLU HA H 1 3.898 0.030 . 1 . . . . 30 GLU HA . 10193 1 311 . 1 1 30 30 GLU CB C 13 30.038 0.300 . 1 . . . . 30 GLU CB . 10193 1 312 . 1 1 30 30 GLU HB2 H 1 2.059 0.030 . 2 . . . . 30 GLU HB2 . 10193 1 313 . 1 1 30 30 GLU HB3 H 1 1.973 0.030 . 2 . . . . 30 GLU HB3 . 10193 1 314 . 1 1 30 30 GLU CG C 13 36.318 0.300 . 1 . . . . 30 GLU CG . 10193 1 315 . 1 1 30 30 GLU HG2 H 1 2.322 0.030 . 2 . . . . 30 GLU HG2 . 10193 1 316 . 1 1 30 30 GLU HG3 H 1 2.257 0.030 . 2 . . . . 30 GLU HG3 . 10193 1 317 . 1 1 30 30 GLU C C 13 177.211 0.300 . 1 . . . . 30 GLU C . 10193 1 318 . 1 1 31 31 VAL N N 15 119.224 0.300 . 1 . . . . 31 VAL N . 10193 1 319 . 1 1 31 31 VAL H H 1 8.363 0.030 . 1 . . . . 31 VAL H . 10193 1 320 . 1 1 31 31 VAL CA C 13 61.327 0.300 . 1 . . . . 31 VAL CA . 10193 1 321 . 1 1 31 31 VAL HA H 1 4.154 0.030 . 1 . . . . 31 VAL HA . 10193 1 322 . 1 1 31 31 VAL CB C 13 30.937 0.300 . 1 . . . . 31 VAL CB . 10193 1 323 . 1 1 31 31 VAL HB H 1 2.019 0.030 . 1 . . . . 31 VAL HB . 10193 1 324 . 1 1 31 31 VAL CG1 C 13 21.786 0.300 . 2 . . . . 31 VAL CG1 . 10193 1 325 . 1 1 31 31 VAL HG11 H 1 0.965 0.030 . 1 . . . . 31 VAL HG1 . 10193 1 326 . 1 1 31 31 VAL HG12 H 1 0.965 0.030 . 1 . . . . 31 VAL HG1 . 10193 1 327 . 1 1 31 31 VAL HG13 H 1 0.965 0.030 . 1 . . . . 31 VAL HG1 . 10193 1 328 . 1 1 31 31 VAL CG2 C 13 20.530 0.300 . 2 . . . . 31 VAL CG2 . 10193 1 329 . 1 1 31 31 VAL HG21 H 1 0.887 0.030 . 1 . . . . 31 VAL HG2 . 10193 1 330 . 1 1 31 31 VAL HG22 H 1 0.887 0.030 . 1 . . . . 31 VAL HG2 . 10193 1 331 . 1 1 31 31 VAL HG23 H 1 0.887 0.030 . 1 . . . . 31 VAL HG2 . 10193 1 332 . 1 1 31 31 VAL C C 13 176.298 0.300 . 1 . . . . 31 VAL C . 10193 1 333 . 1 1 32 32 GLU N N 15 128.219 0.300 . 1 . . . . 32 GLU N . 10193 1 334 . 1 1 32 32 GLU H H 1 8.453 0.030 . 1 . . . . 32 GLU H . 10193 1 335 . 1 1 32 32 GLU CA C 13 59.610 0.300 . 1 . . . . 32 GLU CA . 10193 1 336 . 1 1 32 32 GLU HA H 1 3.729 0.030 . 1 . . . . 32 GLU HA . 10193 1 337 . 1 1 32 32 GLU CB C 13 29.649 0.300 . 1 . . . . 32 GLU CB . 10193 1 338 . 1 1 32 32 GLU HB2 H 1 1.870 0.030 . 2 . . . . 32 GLU HB2 . 10193 1 339 . 1 1 32 32 GLU HB3 H 1 1.830 0.030 . 2 . . . . 32 GLU HB3 . 10193 1 340 . 1 1 32 32 GLU CG C 13 36.690 0.300 . 1 . . . . 32 GLU CG . 10193 1 341 . 1 1 32 32 GLU HG2 H 1 2.024 0.030 . 2 . . . . 32 GLU HG2 . 10193 1 342 . 1 1 32 32 GLU C C 13 177.405 0.300 . 1 . . . . 32 GLU C . 10193 1 343 . 1 1 33 33 SER N N 15 111.772 0.300 . 1 . . . . 33 SER N . 10193 1 344 . 1 1 33 33 SER H H 1 8.368 0.030 . 1 . . . . 33 SER H . 10193 1 345 . 1 1 33 33 SER CA C 13 61.378 0.300 . 1 . . . . 33 SER CA . 10193 1 346 . 1 1 33 33 SER HA H 1 4.087 0.030 . 1 . . . . 33 SER HA . 10193 1 347 . 1 1 33 33 SER CB C 13 61.842 0.300 . 1 . . . . 33 SER CB . 10193 1 348 . 1 1 33 33 SER HB2 H 1 3.968 0.030 . 1 . . . . 33 SER HB2 . 10193 1 349 . 1 1 33 33 SER HB3 H 1 3.968 0.030 . 1 . . . . 33 SER HB3 . 10193 1 350 . 1 1 33 33 SER C C 13 177.086 0.300 . 1 . . . . 33 SER C . 10193 1 351 . 1 1 34 34 ARG N N 15 121.109 0.300 . 1 . . . . 34 ARG N . 10193 1 352 . 1 1 34 34 ARG H H 1 7.445 0.030 . 1 . . . . 34 ARG H . 10193 1 353 . 1 1 34 34 ARG CA C 13 58.682 0.300 . 1 . . . . 34 ARG CA . 10193 1 354 . 1 1 34 34 ARG HA H 1 4.067 0.030 . 1 . . . . 34 ARG HA . 10193 1 355 . 1 1 34 34 ARG CB C 13 30.095 0.300 . 1 . . . . 34 ARG CB . 10193 1 356 . 1 1 34 34 ARG HB2 H 1 1.913 0.030 . 2 . . . . 34 ARG HB2 . 10193 1 357 . 1 1 34 34 ARG HB3 H 1 1.761 0.030 . 2 . . . . 34 ARG HB3 . 10193 1 358 . 1 1 34 34 ARG CG C 13 27.713 0.300 . 1 . . . . 34 ARG CG . 10193 1 359 . 1 1 34 34 ARG HG2 H 1 1.621 0.030 . 1 . . . . 34 ARG HG2 . 10193 1 360 . 1 1 34 34 ARG HG3 H 1 1.621 0.030 . 1 . . . . 34 ARG HG3 . 10193 1 361 . 1 1 34 34 ARG CD C 13 43.388 0.300 . 1 . . . . 34 ARG CD . 10193 1 362 . 1 1 34 34 ARG HD2 H 1 3.254 0.030 . 2 . . . . 34 ARG HD2 . 10193 1 363 . 1 1 34 34 ARG HD3 H 1 3.222 0.030 . 2 . . . . 34 ARG HD3 . 10193 1 364 . 1 1 34 34 ARG C C 13 178.697 0.300 . 1 . . . . 34 ARG C . 10193 1 365 . 1 1 35 35 ARG N N 15 122.297 0.300 . 1 . . . . 35 ARG N . 10193 1 366 . 1 1 35 35 ARG H H 1 6.826 0.030 . 1 . . . . 35 ARG H . 10193 1 367 . 1 1 35 35 ARG CA C 13 59.479 0.300 . 1 . . . . 35 ARG CA . 10193 1 368 . 1 1 35 35 ARG HA H 1 3.718 0.030 . 1 . . . . 35 ARG HA . 10193 1 369 . 1 1 35 35 ARG CB C 13 30.578 0.300 . 1 . . . . 35 ARG CB . 10193 1 370 . 1 1 35 35 ARG HB2 H 1 1.257 0.030 . 2 . . . . 35 ARG HB2 . 10193 1 371 . 1 1 35 35 ARG HB3 H 1 1.487 0.030 . 2 . . . . 35 ARG HB3 . 10193 1 372 . 1 1 35 35 ARG CG C 13 26.112 0.300 . 1 . . . . 35 ARG CG . 10193 1 373 . 1 1 35 35 ARG HG2 H 1 1.496 0.030 . 2 . . . . 35 ARG HG2 . 10193 1 374 . 1 1 35 35 ARG HG3 H 1 1.244 0.030 . 2 . . . . 35 ARG HG3 . 10193 1 375 . 1 1 35 35 ARG CD C 13 44.114 0.300 . 1 . . . . 35 ARG CD . 10193 1 376 . 1 1 35 35 ARG HD2 H 1 2.699 0.030 . 2 . . . . 35 ARG HD2 . 10193 1 377 . 1 1 35 35 ARG HD3 H 1 2.282 0.030 . 2 . . . . 35 ARG HD3 . 10193 1 378 . 1 1 35 35 ARG NE N 15 86.067 0.300 . 1 . . . . 35 ARG NE . 10193 1 379 . 1 1 35 35 ARG HE H 1 7.897 0.030 . 1 . . . . 35 ARG HE . 10193 1 380 . 1 1 35 35 ARG C C 13 178.318 0.300 . 1 . . . . 35 ARG C . 10193 1 381 . 1 1 36 36 TRP N N 15 115.557 0.300 . 1 . . . . 36 TRP N . 10193 1 382 . 1 1 36 36 TRP H H 1 7.702 0.030 . 1 . . . . 36 TRP H . 10193 1 383 . 1 1 36 36 TRP CA C 13 58.127 0.300 . 1 . . . . 36 TRP CA . 10193 1 384 . 1 1 36 36 TRP HA H 1 4.929 0.030 . 1 . . . . 36 TRP HA . 10193 1 385 . 1 1 36 36 TRP CB C 13 30.618 0.300 . 1 . . . . 36 TRP CB . 10193 1 386 . 1 1 36 36 TRP HB2 H 1 3.279 0.030 . 2 . . . . 36 TRP HB2 . 10193 1 387 . 1 1 36 36 TRP HB3 H 1 3.689 0.030 . 2 . . . . 36 TRP HB3 . 10193 1 388 . 1 1 36 36 TRP CD1 C 13 128.755 0.300 . 1 . . . . 36 TRP CD1 . 10193 1 389 . 1 1 36 36 TRP HD1 H 1 7.203 0.030 . 1 . . . . 36 TRP HD1 . 10193 1 390 . 1 1 36 36 TRP NE1 N 15 130.791 0.300 . 1 . . . . 36 TRP NE1 . 10193 1 391 . 1 1 36 36 TRP HE1 H 1 10.499 0.030 . 1 . . . . 36 TRP HE1 . 10193 1 392 . 1 1 36 36 TRP CE3 C 13 120.431 0.300 . 1 . . . . 36 TRP CE3 . 10193 1 393 . 1 1 36 36 TRP HE3 H 1 7.268 0.030 . 1 . . . . 36 TRP HE3 . 10193 1 394 . 1 1 36 36 TRP CZ2 C 13 115.122 0.300 . 1 . . . . 36 TRP CZ2 . 10193 1 395 . 1 1 36 36 TRP HZ2 H 1 7.531 0.030 . 1 . . . . 36 TRP HZ2 . 10193 1 396 . 1 1 36 36 TRP CZ3 C 13 120.674 0.300 . 1 . . . . 36 TRP CZ3 . 10193 1 397 . 1 1 36 36 TRP HZ3 H 1 6.722 0.030 . 1 . . . . 36 TRP HZ3 . 10193 1 398 . 1 1 36 36 TRP CH2 C 13 124.316 0.300 . 1 . . . . 36 TRP CH2 . 10193 1 399 . 1 1 36 36 TRP HH2 H 1 7.140 0.030 . 1 . . . . 36 TRP HH2 . 10193 1 400 . 1 1 36 36 TRP C C 13 178.742 0.300 . 1 . . . . 36 TRP C . 10193 1 401 . 1 1 37 37 GLN N N 15 117.116 0.300 . 1 . . . . 37 GLN N . 10193 1 402 . 1 1 37 37 GLN H H 1 7.923 0.030 . 1 . . . . 37 GLN H . 10193 1 403 . 1 1 37 37 GLN CA C 13 58.501 0.300 . 1 . . . . 37 GLN CA . 10193 1 404 . 1 1 37 37 GLN HA H 1 3.950 0.030 . 1 . . . . 37 GLN HA . 10193 1 405 . 1 1 37 37 GLN CB C 13 28.719 0.300 . 1 . . . . 37 GLN CB . 10193 1 406 . 1 1 37 37 GLN HB2 H 1 2.263 0.030 . 2 . . . . 37 GLN HB2 . 10193 1 407 . 1 1 37 37 GLN HB3 H 1 2.160 0.030 . 2 . . . . 37 GLN HB3 . 10193 1 408 . 1 1 37 37 GLN CG C 13 33.532 0.300 . 1 . . . . 37 GLN CG . 10193 1 409 . 1 1 37 37 GLN HG2 H 1 2.413 0.030 . 1 . . . . 37 GLN HG2 . 10193 1 410 . 1 1 37 37 GLN HG3 H 1 2.413 0.030 . 1 . . . . 37 GLN HG3 . 10193 1 411 . 1 1 37 37 GLN NE2 N 15 116.913 0.300 . 1 . . . . 37 GLN NE2 . 10193 1 412 . 1 1 37 37 GLN HE21 H 1 7.970 0.030 . 2 . . . . 37 GLN HE21 . 10193 1 413 . 1 1 37 37 GLN HE22 H 1 6.922 0.030 . 2 . . . . 37 GLN HE22 . 10193 1 414 . 1 1 37 37 GLN C C 13 177.079 0.300 . 1 . . . . 37 GLN C . 10193 1 415 . 1 1 38 38 LYS N N 15 119.256 0.300 . 1 . . . . 38 LYS N . 10193 1 416 . 1 1 38 38 LYS H H 1 7.543 0.030 . 1 . . . . 38 LYS H . 10193 1 417 . 1 1 38 38 LYS CA C 13 59.855 0.300 . 1 . . . . 38 LYS CA . 10193 1 418 . 1 1 38 38 LYS HA H 1 3.875 0.030 . 1 . . . . 38 LYS HA . 10193 1 419 . 1 1 38 38 LYS CB C 13 31.717 0.300 . 1 . . . . 38 LYS CB . 10193 1 420 . 1 1 38 38 LYS HB2 H 1 0.721 0.030 . 2 . . . . 38 LYS HB2 . 10193 1 421 . 1 1 38 38 LYS HB3 H 1 1.329 0.030 . 2 . . . . 38 LYS HB3 . 10193 1 422 . 1 1 38 38 LYS CG C 13 25.995 0.300 . 1 . . . . 38 LYS CG . 10193 1 423 . 1 1 38 38 LYS HG2 H 1 1.509 0.030 . 2 . . . . 38 LYS HG2 . 10193 1 424 . 1 1 38 38 LYS HG3 H 1 1.327 0.030 . 2 . . . . 38 LYS HG3 . 10193 1 425 . 1 1 38 38 LYS CD C 13 30.116 0.300 . 1 . . . . 38 LYS CD . 10193 1 426 . 1 1 38 38 LYS HD2 H 1 1.729 0.030 . 2 . . . . 38 LYS HD2 . 10193 1 427 . 1 1 38 38 LYS HD3 H 1 1.492 0.030 . 2 . . . . 38 LYS HD3 . 10193 1 428 . 1 1 38 38 LYS CE C 13 42.100 0.300 . 1 . . . . 38 LYS CE . 10193 1 429 . 1 1 38 38 LYS HE2 H 1 2.757 0.030 . 2 . . . . 38 LYS HE2 . 10193 1 430 . 1 1 38 38 LYS HE3 H 1 2.884 0.030 . 2 . . . . 38 LYS HE3 . 10193 1 431 . 1 1 38 38 LYS C C 13 179.773 0.300 . 1 . . . . 38 LYS C . 10193 1 432 . 1 1 39 39 ILE N N 15 117.818 0.300 . 1 . . . . 39 ILE N . 10193 1 433 . 1 1 39 39 ILE H H 1 7.614 0.030 . 1 . . . . 39 ILE H . 10193 1 434 . 1 1 39 39 ILE CA C 13 66.296 0.300 . 1 . . . . 39 ILE CA . 10193 1 435 . 1 1 39 39 ILE HA H 1 3.534 0.030 . 1 . . . . 39 ILE HA . 10193 1 436 . 1 1 39 39 ILE CB C 13 38.526 0.300 . 1 . . . . 39 ILE CB . 10193 1 437 . 1 1 39 39 ILE HB H 1 2.007 0.030 . 1 . . . . 39 ILE HB . 10193 1 438 . 1 1 39 39 ILE CG1 C 13 30.825 0.300 . 1 . . . . 39 ILE CG1 . 10193 1 439 . 1 1 39 39 ILE HG12 H 1 2.065 0.030 . 2 . . . . 39 ILE HG12 . 10193 1 440 . 1 1 39 39 ILE HG13 H 1 1.075 0.030 . 2 . . . . 39 ILE HG13 . 10193 1 441 . 1 1 39 39 ILE CG2 C 13 18.043 0.300 . 1 . . . . 39 ILE CG2 . 10193 1 442 . 1 1 39 39 ILE HG21 H 1 0.998 0.030 . 1 . . . . 39 ILE HG2 . 10193 1 443 . 1 1 39 39 ILE HG22 H 1 0.998 0.030 . 1 . . . . 39 ILE HG2 . 10193 1 444 . 1 1 39 39 ILE HG23 H 1 0.998 0.030 . 1 . . . . 39 ILE HG2 . 10193 1 445 . 1 1 39 39 ILE CD1 C 13 14.591 0.300 . 1 . . . . 39 ILE CD1 . 10193 1 446 . 1 1 39 39 ILE HD11 H 1 1.074 0.030 . 1 . . . . 39 ILE HD1 . 10193 1 447 . 1 1 39 39 ILE HD12 H 1 1.074 0.030 . 1 . . . . 39 ILE HD1 . 10193 1 448 . 1 1 39 39 ILE HD13 H 1 1.074 0.030 . 1 . . . . 39 ILE HD1 . 10193 1 449 . 1 1 39 39 ILE C C 13 177.376 0.300 . 1 . . . . 39 ILE C . 10193 1 450 . 1 1 40 40 ALA N N 15 122.394 0.300 . 1 . . . . 40 ALA N . 10193 1 451 . 1 1 40 40 ALA H H 1 8.680 0.030 . 1 . . . . 40 ALA H . 10193 1 452 . 1 1 40 40 ALA CA C 13 56.117 0.300 . 1 . . . . 40 ALA CA . 10193 1 453 . 1 1 40 40 ALA HA H 1 3.732 0.030 . 1 . . . . 40 ALA HA . 10193 1 454 . 1 1 40 40 ALA CB C 13 17.581 0.300 . 1 . . . . 40 ALA CB . 10193 1 455 . 1 1 40 40 ALA HB1 H 1 1.425 0.030 . 1 . . . . 40 ALA HB . 10193 1 456 . 1 1 40 40 ALA HB2 H 1 1.425 0.030 . 1 . . . . 40 ALA HB . 10193 1 457 . 1 1 40 40 ALA HB3 H 1 1.425 0.030 . 1 . . . . 40 ALA HB . 10193 1 458 . 1 1 40 40 ALA C C 13 180.101 0.300 . 1 . . . . 40 ALA C . 10193 1 459 . 1 1 41 41 ASP N N 15 117.487 0.300 . 1 . . . . 41 ASP N . 10193 1 460 . 1 1 41 41 ASP H H 1 8.516 0.030 . 1 . . . . 41 ASP H . 10193 1 461 . 1 1 41 41 ASP CA C 13 57.069 0.300 . 1 . . . . 41 ASP CA . 10193 1 462 . 1 1 41 41 ASP HA H 1 4.425 0.030 . 1 . . . . 41 ASP HA . 10193 1 463 . 1 1 41 41 ASP CB C 13 40.176 0.300 . 1 . . . . 41 ASP CB . 10193 1 464 . 1 1 41 41 ASP HB2 H 1 2.798 0.030 . 2 . . . . 41 ASP HB2 . 10193 1 465 . 1 1 41 41 ASP HB3 H 1 2.659 0.030 . 2 . . . . 41 ASP HB3 . 10193 1 466 . 1 1 41 41 ASP C C 13 178.731 0.300 . 1 . . . . 41 ASP C . 10193 1 467 . 1 1 42 42 GLU N N 15 118.631 0.300 . 1 . . . . 42 GLU N . 10193 1 468 . 1 1 42 42 GLU H H 1 7.391 0.030 . 1 . . . . 42 GLU H . 10193 1 469 . 1 1 42 42 GLU CA C 13 59.678 0.300 . 1 . . . . 42 GLU CA . 10193 1 470 . 1 1 42 42 GLU HA H 1 4.246 0.030 . 1 . . . . 42 GLU HA . 10193 1 471 . 1 1 42 42 GLU CB C 13 29.612 0.300 . 1 . . . . 42 GLU CB . 10193 1 472 . 1 1 42 42 GLU HB2 H 1 2.298 0.030 . 1 . . . . 42 GLU HB2 . 10193 1 473 . 1 1 42 42 GLU HB3 H 1 2.298 0.030 . 1 . . . . 42 GLU HB3 . 10193 1 474 . 1 1 42 42 GLU CG C 13 36.974 0.300 . 1 . . . . 42 GLU CG . 10193 1 475 . 1 1 42 42 GLU HG2 H 1 2.622 0.030 . 2 . . . . 42 GLU HG2 . 10193 1 476 . 1 1 42 42 GLU HG3 H 1 2.331 0.030 . 2 . . . . 42 GLU HG3 . 10193 1 477 . 1 1 42 42 GLU C C 13 178.559 0.300 . 1 . . . . 42 GLU C . 10193 1 478 . 1 1 43 43 LEU N N 15 120.834 0.300 . 1 . . . . 43 LEU N . 10193 1 479 . 1 1 43 43 LEU H H 1 8.247 0.030 . 1 . . . . 43 LEU H . 10193 1 480 . 1 1 43 43 LEU CA C 13 57.274 0.300 . 1 . . . . 43 LEU CA . 10193 1 481 . 1 1 43 43 LEU HA H 1 4.171 0.030 . 1 . . . . 43 LEU HA . 10193 1 482 . 1 1 43 43 LEU CB C 13 42.237 0.300 . 1 . . . . 43 LEU CB . 10193 1 483 . 1 1 43 43 LEU HB2 H 1 1.652 0.030 . 2 . . . . 43 LEU HB2 . 10193 1 484 . 1 1 43 43 LEU HB3 H 1 1.847 0.030 . 2 . . . . 43 LEU HB3 . 10193 1 485 . 1 1 43 43 LEU CG C 13 26.669 0.300 . 1 . . . . 43 LEU CG . 10193 1 486 . 1 1 43 43 LEU HG H 1 1.845 0.030 . 1 . . . . 43 LEU HG . 10193 1 487 . 1 1 43 43 LEU CD1 C 13 27.429 0.300 . 2 . . . . 43 LEU CD1 . 10193 1 488 . 1 1 43 43 LEU HD11 H 1 0.963 0.030 . 1 . . . . 43 LEU HD1 . 10193 1 489 . 1 1 43 43 LEU HD12 H 1 0.963 0.030 . 1 . . . . 43 LEU HD1 . 10193 1 490 . 1 1 43 43 LEU HD13 H 1 0.963 0.030 . 1 . . . . 43 LEU HD1 . 10193 1 491 . 1 1 43 43 LEU CD2 C 13 23.705 0.300 . 2 . . . . 43 LEU CD2 . 10193 1 492 . 1 1 43 43 LEU HD21 H 1 0.941 0.030 . 1 . . . . 43 LEU HD2 . 10193 1 493 . 1 1 43 43 LEU HD22 H 1 0.941 0.030 . 1 . . . . 43 LEU HD2 . 10193 1 494 . 1 1 43 43 LEU HD23 H 1 0.941 0.030 . 1 . . . . 43 LEU HD2 . 10193 1 495 . 1 1 43 43 LEU C C 13 179.282 0.300 . 1 . . . . 43 LEU C . 10193 1 496 . 1 1 44 44 GLY N N 15 106.089 0.300 . 1 . . . . 44 GLY N . 10193 1 497 . 1 1 44 44 GLY H H 1 8.218 0.030 . 1 . . . . 44 GLY H . 10193 1 498 . 1 1 44 44 GLY CA C 13 46.203 0.300 . 1 . . . . 44 GLY CA . 10193 1 499 . 1 1 44 44 GLY HA2 H 1 3.738 0.030 . 2 . . . . 44 GLY HA2 . 10193 1 500 . 1 1 44 44 GLY HA3 H 1 4.181 0.030 . 2 . . . . 44 GLY HA3 . 10193 1 501 . 1 1 44 44 GLY C C 13 174.363 0.300 . 1 . . . . 44 GLY C . 10193 1 502 . 1 1 45 45 ASN N N 15 117.303 0.300 . 1 . . . . 45 ASN N . 10193 1 503 . 1 1 45 45 ASN H H 1 8.060 0.030 . 1 . . . . 45 ASN H . 10193 1 504 . 1 1 45 45 ASN CA C 13 52.872 0.300 . 1 . . . . 45 ASN CA . 10193 1 505 . 1 1 45 45 ASN HA H 1 4.637 0.030 . 1 . . . . 45 ASN HA . 10193 1 506 . 1 1 45 45 ASN CB C 13 38.017 0.300 . 1 . . . . 45 ASN CB . 10193 1 507 . 1 1 45 45 ASN HB2 H 1 2.902 0.030 . 2 . . . . 45 ASN HB2 . 10193 1 508 . 1 1 45 45 ASN HB3 H 1 2.723 0.030 . 2 . . . . 45 ASN HB3 . 10193 1 509 . 1 1 45 45 ASN ND2 N 15 111.376 0.300 . 1 . . . . 45 ASN ND2 . 10193 1 510 . 1 1 45 45 ASN HD21 H 1 7.401 0.030 . 2 . . . . 45 ASN HD21 . 10193 1 511 . 1 1 45 45 ASN HD22 H 1 6.690 0.030 . 2 . . . . 45 ASN HD22 . 10193 1 512 . 1 1 45 45 ASN C C 13 174.403 0.300 . 1 . . . . 45 ASN C . 10193 1 513 . 1 1 46 46 ARG N N 15 115.501 0.300 . 1 . . . . 46 ARG N . 10193 1 514 . 1 1 46 46 ARG H H 1 7.091 0.030 . 1 . . . . 46 ARG H . 10193 1 515 . 1 1 46 46 ARG CA C 13 52.521 0.300 . 1 . . . . 46 ARG CA . 10193 1 516 . 1 1 46 46 ARG HA H 1 4.948 0.030 . 1 . . . . 46 ARG HA . 10193 1 517 . 1 1 46 46 ARG CB C 13 35.298 0.300 . 1 . . . . 46 ARG CB . 10193 1 518 . 1 1 46 46 ARG HB2 H 1 1.685 0.030 . 2 . . . . 46 ARG HB2 . 10193 1 519 . 1 1 46 46 ARG HB3 H 1 1.524 0.030 . 2 . . . . 46 ARG HB3 . 10193 1 520 . 1 1 46 46 ARG CG C 13 24.937 0.300 . 1 . . . . 46 ARG CG . 10193 1 521 . 1 1 46 46 ARG HG2 H 1 1.341 0.030 . 2 . . . . 46 ARG HG2 . 10193 1 522 . 1 1 46 46 ARG HG3 H 1 1.036 0.030 . 2 . . . . 46 ARG HG3 . 10193 1 523 . 1 1 46 46 ARG CD C 13 43.008 0.300 . 1 . . . . 46 ARG CD . 10193 1 524 . 1 1 46 46 ARG HD2 H 1 2.250 0.030 . 2 . . . . 46 ARG HD2 . 10193 1 525 . 1 1 46 46 ARG HD3 H 1 3.050 0.030 . 2 . . . . 46 ARG HD3 . 10193 1 526 . 1 1 46 46 ARG NE N 15 83.827 0.300 . 1 . . . . 46 ARG NE . 10193 1 527 . 1 1 46 46 ARG HE H 1 6.673 0.030 . 1 . . . . 46 ARG HE . 10193 1 528 . 1 1 46 46 ARG C C 13 175.373 0.300 . 1 . . . . 46 ARG C . 10193 1 529 . 1 1 47 47 THR N N 15 110.043 0.300 . 1 . . . . 47 THR N . 10193 1 530 . 1 1 47 47 THR H H 1 8.411 0.030 . 1 . . . . 47 THR H . 10193 1 531 . 1 1 47 47 THR CA C 13 59.643 0.300 . 1 . . . . 47 THR CA . 10193 1 532 . 1 1 47 47 THR HA H 1 4.602 0.030 . 1 . . . . 47 THR HA . 10193 1 533 . 1 1 47 47 THR CB C 13 71.307 0.300 . 1 . . . . 47 THR CB . 10193 1 534 . 1 1 47 47 THR HB H 1 4.775 0.030 . 1 . . . . 47 THR HB . 10193 1 535 . 1 1 47 47 THR CG2 C 13 21.641 0.300 . 1 . . . . 47 THR CG2 . 10193 1 536 . 1 1 47 47 THR HG21 H 1 1.259 0.030 . 1 . . . . 47 THR HG2 . 10193 1 537 . 1 1 47 47 THR HG22 H 1 1.259 0.030 . 1 . . . . 47 THR HG2 . 10193 1 538 . 1 1 47 47 THR HG23 H 1 1.259 0.030 . 1 . . . . 47 THR HG2 . 10193 1 539 . 1 1 47 47 THR C C 13 175.891 0.300 . 1 . . . . 47 THR C . 10193 1 540 . 1 1 48 48 ALA N N 15 123.448 0.300 . 1 . . . . 48 ALA N . 10193 1 541 . 1 1 48 48 ALA H H 1 9.205 0.030 . 1 . . . . 48 ALA H . 10193 1 542 . 1 1 48 48 ALA CA C 13 55.820 0.300 . 1 . . . . 48 ALA CA . 10193 1 543 . 1 1 48 48 ALA HA H 1 3.869 0.030 . 1 . . . . 48 ALA HA . 10193 1 544 . 1 1 48 48 ALA CB C 13 17.997 0.300 . 1 . . . . 48 ALA CB . 10193 1 545 . 1 1 48 48 ALA HB1 H 1 1.467 0.030 . 1 . . . . 48 ALA HB . 10193 1 546 . 1 1 48 48 ALA HB2 H 1 1.467 0.030 . 1 . . . . 48 ALA HB . 10193 1 547 . 1 1 48 48 ALA HB3 H 1 1.467 0.030 . 1 . . . . 48 ALA HB . 10193 1 548 . 1 1 48 48 ALA C C 13 179.731 0.300 . 1 . . . . 48 ALA C . 10193 1 549 . 1 1 49 49 LYS N N 15 117.235 0.300 . 1 . . . . 49 LYS N . 10193 1 550 . 1 1 49 49 LYS H H 1 8.127 0.030 . 1 . . . . 49 LYS H . 10193 1 551 . 1 1 49 49 LYS CA C 13 59.436 0.300 . 1 . . . . 49 LYS CA . 10193 1 552 . 1 1 49 49 LYS HA H 1 4.008 0.030 . 1 . . . . 49 LYS HA . 10193 1 553 . 1 1 49 49 LYS CB C 13 32.661 0.300 . 1 . . . . 49 LYS CB . 10193 1 554 . 1 1 49 49 LYS HB2 H 1 1.839 0.030 . 2 . . . . 49 LYS HB2 . 10193 1 555 . 1 1 49 49 LYS HB3 H 1 1.791 0.030 . 2 . . . . 49 LYS HB3 . 10193 1 556 . 1 1 49 49 LYS CG C 13 25.357 0.300 . 1 . . . . 49 LYS CG . 10193 1 557 . 1 1 49 49 LYS HG2 H 1 1.442 0.030 . 2 . . . . 49 LYS HG2 . 10193 1 558 . 1 1 49 49 LYS HG3 H 1 1.558 0.030 . 2 . . . . 49 LYS HG3 . 10193 1 559 . 1 1 49 49 LYS CD C 13 29.246 0.300 . 1 . . . . 49 LYS CD . 10193 1 560 . 1 1 49 49 LYS HD2 H 1 1.698 0.030 . 1 . . . . 49 LYS HD2 . 10193 1 561 . 1 1 49 49 LYS HD3 H 1 1.698 0.030 . 1 . . . . 49 LYS HD3 . 10193 1 562 . 1 1 49 49 LYS CE C 13 42.136 0.300 . 1 . . . . 49 LYS CE . 10193 1 563 . 1 1 49 49 LYS HE2 H 1 3.010 0.030 . 1 . . . . 49 LYS HE2 . 10193 1 564 . 1 1 49 49 LYS HE3 H 1 3.010 0.030 . 1 . . . . 49 LYS HE3 . 10193 1 565 . 1 1 49 49 LYS C C 13 179.567 0.300 . 1 . . . . 49 LYS C . 10193 1 566 . 1 1 50 50 GLN N N 15 119.324 0.300 . 1 . . . . 50 GLN N . 10193 1 567 . 1 1 50 50 GLN H H 1 7.753 0.030 . 1 . . . . 50 GLN H . 10193 1 568 . 1 1 50 50 GLN CA C 13 58.938 0.300 . 1 . . . . 50 GLN CA . 10193 1 569 . 1 1 50 50 GLN HA H 1 4.191 0.030 . 1 . . . . 50 GLN HA . 10193 1 570 . 1 1 50 50 GLN CB C 13 29.389 0.300 . 1 . . . . 50 GLN CB . 10193 1 571 . 1 1 50 50 GLN HB2 H 1 2.197 0.030 . 2 . . . . 50 GLN HB2 . 10193 1 572 . 1 1 50 50 GLN HB3 H 1 2.602 0.030 . 2 . . . . 50 GLN HB3 . 10193 1 573 . 1 1 50 50 GLN CG C 13 35.055 0.300 . 1 . . . . 50 GLN CG . 10193 1 574 . 1 1 50 50 GLN HG2 H 1 2.588 0.030 . 1 . . . . 50 GLN HG2 . 10193 1 575 . 1 1 50 50 GLN HG3 H 1 2.588 0.030 . 1 . . . . 50 GLN HG3 . 10193 1 576 . 1 1 50 50 GLN NE2 N 15 111.392 0.300 . 1 . . . . 50 GLN NE2 . 10193 1 577 . 1 1 50 50 GLN HE21 H 1 7.562 0.030 . 2 . . . . 50 GLN HE21 . 10193 1 578 . 1 1 50 50 GLN HE22 H 1 7.099 0.030 . 2 . . . . 50 GLN HE22 . 10193 1 579 . 1 1 50 50 GLN C C 13 180.097 0.300 . 1 . . . . 50 GLN C . 10193 1 580 . 1 1 51 51 VAL N N 15 120.881 0.300 . 1 . . . . 51 VAL N . 10193 1 581 . 1 1 51 51 VAL H H 1 8.397 0.030 . 1 . . . . 51 VAL H . 10193 1 582 . 1 1 51 51 VAL CA C 13 67.510 0.300 . 1 . . . . 51 VAL CA . 10193 1 583 . 1 1 51 51 VAL HA H 1 3.491 0.030 . 1 . . . . 51 VAL HA . 10193 1 584 . 1 1 51 51 VAL CB C 13 31.871 0.300 . 1 . . . . 51 VAL CB . 10193 1 585 . 1 1 51 51 VAL HB H 1 2.358 0.030 . 1 . . . . 51 VAL HB . 10193 1 586 . 1 1 51 51 VAL CG1 C 13 21.834 0.300 . 2 . . . . 51 VAL CG1 . 10193 1 587 . 1 1 51 51 VAL HG11 H 1 0.940 0.030 . 1 . . . . 51 VAL HG1 . 10193 1 588 . 1 1 51 51 VAL HG12 H 1 0.940 0.030 . 1 . . . . 51 VAL HG1 . 10193 1 589 . 1 1 51 51 VAL HG13 H 1 0.940 0.030 . 1 . . . . 51 VAL HG1 . 10193 1 590 . 1 1 51 51 VAL CG2 C 13 23.989 0.300 . 2 . . . . 51 VAL CG2 . 10193 1 591 . 1 1 51 51 VAL HG21 H 1 1.113 0.030 . 1 . . . . 51 VAL HG2 . 10193 1 592 . 1 1 51 51 VAL HG22 H 1 1.113 0.030 . 1 . . . . 51 VAL HG2 . 10193 1 593 . 1 1 51 51 VAL HG23 H 1 1.113 0.030 . 1 . . . . 51 VAL HG2 . 10193 1 594 . 1 1 51 51 VAL C C 13 176.150 0.300 . 1 . . . . 51 VAL C . 10193 1 595 . 1 1 52 52 ALA N N 15 120.695 0.300 . 1 . . . . 52 ALA N . 10193 1 596 . 1 1 52 52 ALA H H 1 8.057 0.030 . 1 . . . . 52 ALA H . 10193 1 597 . 1 1 52 52 ALA CA C 13 55.307 0.300 . 1 . . . . 52 ALA CA . 10193 1 598 . 1 1 52 52 ALA HA H 1 2.379 0.030 . 1 . . . . 52 ALA HA . 10193 1 599 . 1 1 52 52 ALA CB C 13 17.410 0.300 . 1 . . . . 52 ALA CB . 10193 1 600 . 1 1 52 52 ALA HB1 H 1 0.895 0.030 . 1 . . . . 52 ALA HB . 10193 1 601 . 1 1 52 52 ALA HB2 H 1 0.895 0.030 . 1 . . . . 52 ALA HB . 10193 1 602 . 1 1 52 52 ALA HB3 H 1 0.895 0.030 . 1 . . . . 52 ALA HB . 10193 1 603 . 1 1 52 52 ALA C C 13 180.088 0.300 . 1 . . . . 52 ALA C . 10193 1 604 . 1 1 53 53 SER N N 15 110.953 0.300 . 1 . . . . 53 SER N . 10193 1 605 . 1 1 53 53 SER H H 1 7.653 0.030 . 1 . . . . 53 SER H . 10193 1 606 . 1 1 53 53 SER CA C 13 61.291 0.300 . 1 . . . . 53 SER CA . 10193 1 607 . 1 1 53 53 SER HA H 1 4.049 0.030 . 1 . . . . 53 SER HA . 10193 1 608 . 1 1 53 53 SER CB C 13 63.032 0.300 . 1 . . . . 53 SER CB . 10193 1 609 . 1 1 53 53 SER HB2 H 1 3.901 0.030 . 2 . . . . 53 SER HB2 . 10193 1 610 . 1 1 53 53 SER C C 13 180.076 0.300 . 1 . . . . 53 SER C . 10193 1 611 . 1 1 54 54 GLN N N 15 123.306 0.300 . 1 . . . . 54 GLN N . 10193 1 612 . 1 1 54 54 GLN H H 1 7.615 0.030 . 1 . . . . 54 GLN H . 10193 1 613 . 1 1 54 54 GLN CA C 13 57.843 0.300 . 1 . . . . 54 GLN CA . 10193 1 614 . 1 1 54 54 GLN HA H 1 3.844 0.030 . 1 . . . . 54 GLN HA . 10193 1 615 . 1 1 54 54 GLN CB C 13 27.422 0.300 . 1 . . . . 54 GLN CB . 10193 1 616 . 1 1 54 54 GLN HB2 H 1 1.382 0.030 . 2 . . . . 54 GLN HB2 . 10193 1 617 . 1 1 54 54 GLN HB3 H 1 1.201 0.030 . 2 . . . . 54 GLN HB3 . 10193 1 618 . 1 1 54 54 GLN CG C 13 30.022 0.300 . 1 . . . . 54 GLN CG . 10193 1 619 . 1 1 54 54 GLN HG2 H 1 0.193 0.030 . 2 . . . . 54 GLN HG2 . 10193 1 620 . 1 1 54 54 GLN HG3 H 1 1.233 0.030 . 2 . . . . 54 GLN HG3 . 10193 1 621 . 1 1 54 54 GLN NE2 N 15 108.170 0.300 . 1 . . . . 54 GLN NE2 . 10193 1 622 . 1 1 54 54 GLN HE21 H 1 6.739 0.030 . 2 . . . . 54 GLN HE21 . 10193 1 623 . 1 1 54 54 GLN HE22 H 1 6.252 0.030 . 2 . . . . 54 GLN HE22 . 10193 1 624 . 1 1 55 55 VAL N N 15 119.150 0.300 . 1 . . . . 55 VAL N . 10193 1 625 . 1 1 55 55 VAL H H 1 8.266 0.030 . 1 . . . . 55 VAL H . 10193 1 626 . 1 1 55 55 VAL CA C 13 66.491 0.300 . 1 . . . . 55 VAL CA . 10193 1 627 . 1 1 55 55 VAL HA H 1 3.417 0.030 . 1 . . . . 55 VAL HA . 10193 1 628 . 1 1 55 55 VAL CB C 13 31.306 0.300 . 1 . . . . 55 VAL CB . 10193 1 629 . 1 1 55 55 VAL HB H 1 1.528 0.030 . 1 . . . . 55 VAL HB . 10193 1 630 . 1 1 55 55 VAL CG1 C 13 21.809 0.300 . 2 . . . . 55 VAL CG1 . 10193 1 631 . 1 1 55 55 VAL HG11 H 1 0.840 0.030 . 1 . . . . 55 VAL HG1 . 10193 1 632 . 1 1 55 55 VAL HG12 H 1 0.840 0.030 . 1 . . . . 55 VAL HG1 . 10193 1 633 . 1 1 55 55 VAL HG13 H 1 0.840 0.030 . 1 . . . . 55 VAL HG1 . 10193 1 634 . 1 1 55 55 VAL CG2 C 13 24.356 0.300 . 2 . . . . 55 VAL CG2 . 10193 1 635 . 1 1 55 55 VAL HG21 H 1 0.708 0.030 . 1 . . . . 55 VAL HG2 . 10193 1 636 . 1 1 55 55 VAL HG22 H 1 0.708 0.030 . 1 . . . . 55 VAL HG2 . 10193 1 637 . 1 1 55 55 VAL HG23 H 1 0.708 0.030 . 1 . . . . 55 VAL HG2 . 10193 1 638 . 1 1 55 55 VAL C C 13 177.640 0.300 . 1 . . . . 55 VAL C . 10193 1 639 . 1 1 56 56 GLN N N 15 116.992 0.300 . 1 . . . . 56 GLN N . 10193 1 640 . 1 1 56 56 GLN H H 1 7.578 0.030 . 1 . . . . 56 GLN H . 10193 1 641 . 1 1 56 56 GLN CA C 13 58.616 0.300 . 1 . . . . 56 GLN CA . 10193 1 642 . 1 1 56 56 GLN HA H 1 3.964 0.030 . 1 . . . . 56 GLN HA . 10193 1 643 . 1 1 56 56 GLN CB C 13 28.115 0.300 . 1 . . . . 56 GLN CB . 10193 1 644 . 1 1 56 56 GLN HB2 H 1 2.080 0.030 . 1 . . . . 56 GLN HB2 . 10193 1 645 . 1 1 56 56 GLN HB3 H 1 2.080 0.030 . 1 . . . . 56 GLN HB3 . 10193 1 646 . 1 1 56 56 GLN CG C 13 33.864 0.300 . 1 . . . . 56 GLN CG . 10193 1 647 . 1 1 56 56 GLN HG2 H 1 2.378 0.030 . 2 . . . . 56 GLN HG2 . 10193 1 648 . 1 1 56 56 GLN HG3 H 1 2.440 0.030 . 2 . . . . 56 GLN HG3 . 10193 1 649 . 1 1 56 56 GLN NE2 N 15 111.328 0.300 . 1 . . . . 56 GLN NE2 . 10193 1 650 . 1 1 56 56 GLN HE21 H 1 7.362 0.030 . 2 . . . . 56 GLN HE21 . 10193 1 651 . 1 1 56 56 GLN HE22 H 1 6.848 0.030 . 2 . . . . 56 GLN HE22 . 10193 1 652 . 1 1 56 56 GLN C C 13 177.976 0.300 . 1 . . . . 56 GLN C . 10193 1 653 . 1 1 57 57 LYS N N 15 117.073 0.300 . 1 . . . . 57 LYS N . 10193 1 654 . 1 1 57 57 LYS H H 1 7.378 0.030 . 1 . . . . 57 LYS H . 10193 1 655 . 1 1 57 57 LYS CA C 13 58.958 0.300 . 1 . . . . 57 LYS CA . 10193 1 656 . 1 1 57 57 LYS HA H 1 3.897 0.030 . 1 . . . . 57 LYS HA . 10193 1 657 . 1 1 57 57 LYS CB C 13 32.837 0.300 . 1 . . . . 57 LYS CB . 10193 1 658 . 1 1 57 57 LYS HB2 H 1 1.620 0.030 . 2 . . . . 57 LYS HB2 . 10193 1 659 . 1 1 57 57 LYS HB3 H 1 1.471 0.030 . 2 . . . . 57 LYS HB3 . 10193 1 660 . 1 1 57 57 LYS CG C 13 25.099 0.300 . 1 . . . . 57 LYS CG . 10193 1 661 . 1 1 57 57 LYS HG2 H 1 0.936 0.030 . 2 . . . . 57 LYS HG2 . 10193 1 662 . 1 1 57 57 LYS HG3 H 1 1.268 0.030 . 2 . . . . 57 LYS HG3 . 10193 1 663 . 1 1 57 57 LYS CD C 13 29.354 0.300 . 1 . . . . 57 LYS CD . 10193 1 664 . 1 1 57 57 LYS HD2 H 1 1.463 0.030 . 1 . . . . 57 LYS HD2 . 10193 1 665 . 1 1 57 57 LYS HD3 H 1 1.463 0.030 . 1 . . . . 57 LYS HD3 . 10193 1 666 . 1 1 57 57 LYS CE C 13 42.180 0.300 . 1 . . . . 57 LYS CE . 10193 1 667 . 1 1 57 57 LYS HE2 H 1 2.836 0.030 . 1 . . . . 57 LYS HE2 . 10193 1 668 . 1 1 57 57 LYS HE3 H 1 2.836 0.030 . 1 . . . . 57 LYS HE3 . 10193 1 669 . 1 1 57 57 LYS C C 13 178.237 0.300 . 1 . . . . 57 LYS C . 10193 1 670 . 1 1 58 58 TYR N N 15 117.398 0.300 . 1 . . . . 58 TYR N . 10193 1 671 . 1 1 58 58 TYR H H 1 7.722 0.030 . 1 . . . . 58 TYR H . 10193 1 672 . 1 1 58 58 TYR CA C 13 59.231 0.300 . 1 . . . . 58 TYR CA . 10193 1 673 . 1 1 58 58 TYR HA H 1 4.422 0.030 . 1 . . . . 58 TYR HA . 10193 1 674 . 1 1 58 58 TYR CB C 13 38.850 0.300 . 1 . . . . 58 TYR CB . 10193 1 675 . 1 1 58 58 TYR HB2 H 1 2.634 0.030 . 2 . . . . 58 TYR HB2 . 10193 1 676 . 1 1 58 58 TYR HB3 H 1 2.837 0.030 . 2 . . . . 58 TYR HB3 . 10193 1 677 . 1 1 58 58 TYR CD1 C 13 132.852 0.300 . 1 . . . . 58 TYR CD1 . 10193 1 678 . 1 1 58 58 TYR HD1 H 1 6.854 0.030 . 1 . . . . 58 TYR HD1 . 10193 1 679 . 1 1 58 58 TYR CD2 C 13 132.852 0.300 . 1 . . . . 58 TYR CD2 . 10193 1 680 . 1 1 58 58 TYR HD2 H 1 6.854 0.030 . 1 . . . . 58 TYR HD2 . 10193 1 681 . 1 1 58 58 TYR CE1 C 13 118.076 0.300 . 1 . . . . 58 TYR CE1 . 10193 1 682 . 1 1 58 58 TYR HE1 H 1 6.637 0.030 . 1 . . . . 58 TYR HE1 . 10193 1 683 . 1 1 58 58 TYR CE2 C 13 118.076 0.300 . 1 . . . . 58 TYR CE2 . 10193 1 684 . 1 1 58 58 TYR HE2 H 1 6.637 0.030 . 1 . . . . 58 TYR HE2 . 10193 1 685 . 1 1 58 58 TYR C C 13 176.329 0.300 . 1 . . . . 58 TYR C . 10193 1 686 . 1 1 59 59 PHE N N 15 118.720 0.300 . 1 . . . . 59 PHE N . 10193 1 687 . 1 1 59 59 PHE H H 1 8.197 0.030 . 1 . . . . 59 PHE H . 10193 1 688 . 1 1 59 59 PHE CA C 13 59.396 0.300 . 1 . . . . 59 PHE CA . 10193 1 689 . 1 1 59 59 PHE HA H 1 4.487 0.030 . 1 . . . . 59 PHE HA . 10193 1 690 . 1 1 59 59 PHE CB C 13 39.309 0.300 . 1 . . . . 59 PHE CB . 10193 1 691 . 1 1 59 59 PHE HB2 H 1 3.258 0.030 . 2 . . . . 59 PHE HB2 . 10193 1 692 . 1 1 59 59 PHE HB3 H 1 3.097 0.030 . 2 . . . . 59 PHE HB3 . 10193 1 693 . 1 1 59 59 PHE CD1 C 13 131.506 0.300 . 1 . . . . 59 PHE CD1 . 10193 1 694 . 1 1 59 59 PHE HD1 H 1 7.232 0.030 . 1 . . . . 59 PHE HD1 . 10193 1 695 . 1 1 59 59 PHE CD2 C 13 131.506 0.300 . 1 . . . . 59 PHE CD2 . 10193 1 696 . 1 1 59 59 PHE HD2 H 1 7.232 0.030 . 1 . . . . 59 PHE HD2 . 10193 1 697 . 1 1 59 59 PHE CE1 C 13 131.431 0.300 . 1 . . . . 59 PHE CE1 . 10193 1 698 . 1 1 59 59 PHE HE1 H 1 7.323 0.030 . 1 . . . . 59 PHE HE1 . 10193 1 699 . 1 1 59 59 PHE CE2 C 13 131.431 0.300 . 1 . . . . 59 PHE CE2 . 10193 1 700 . 1 1 59 59 PHE HE2 H 1 7.323 0.030 . 1 . . . . 59 PHE HE2 . 10193 1 701 . 1 1 59 59 PHE CZ C 13 129.777 0.300 . 1 . . . . 59 PHE CZ . 10193 1 702 . 1 1 59 59 PHE HZ H 1 7.318 0.030 . 1 . . . . 59 PHE HZ . 10193 1 703 . 1 1 59 59 PHE C C 13 177.355 0.300 . 1 . . . . 59 PHE C . 10193 1 704 . 1 1 60 60 ILE N N 15 120.989 0.300 . 1 . . . . 60 ILE N . 10193 1 705 . 1 1 60 60 ILE H H 1 7.940 0.030 . 1 . . . . 60 ILE H . 10193 1 706 . 1 1 60 60 ILE CA C 13 63.239 0.300 . 1 . . . . 60 ILE CA . 10193 1 707 . 1 1 60 60 ILE HA H 1 3.937 0.030 . 1 . . . . 60 ILE HA . 10193 1 708 . 1 1 60 60 ILE CB C 13 38.017 0.300 . 1 . . . . 60 ILE CB . 10193 1 709 . 1 1 60 60 ILE HB H 1 1.933 0.030 . 1 . . . . 60 ILE HB . 10193 1 710 . 1 1 60 60 ILE CG1 C 13 28.404 0.300 . 1 . . . . 60 ILE CG1 . 10193 1 711 . 1 1 60 60 ILE HG12 H 1 1.589 0.030 . 2 . . . . 60 ILE HG12 . 10193 1 712 . 1 1 60 60 ILE HG13 H 1 1.244 0.030 . 2 . . . . 60 ILE HG13 . 10193 1 713 . 1 1 60 60 ILE CG2 C 13 17.401 0.300 . 1 . . . . 60 ILE CG2 . 10193 1 714 . 1 1 60 60 ILE HG21 H 1 0.902 0.030 . 1 . . . . 60 ILE HG2 . 10193 1 715 . 1 1 60 60 ILE HG22 H 1 0.902 0.030 . 1 . . . . 60 ILE HG2 . 10193 1 716 . 1 1 60 60 ILE HG23 H 1 0.902 0.030 . 1 . . . . 60 ILE HG2 . 10193 1 717 . 1 1 60 60 ILE CD1 C 13 12.833 0.300 . 1 . . . . 60 ILE CD1 . 10193 1 718 . 1 1 60 60 ILE HD11 H 1 0.879 0.030 . 1 . . . . 60 ILE HD1 . 10193 1 719 . 1 1 60 60 ILE HD12 H 1 0.879 0.030 . 1 . . . . 60 ILE HD1 . 10193 1 720 . 1 1 60 60 ILE HD13 H 1 0.879 0.030 . 1 . . . . 60 ILE HD1 . 10193 1 721 . 1 1 60 60 ILE C C 13 177.197 0.300 . 1 . . . . 60 ILE C . 10193 1 722 . 1 1 61 61 LYS N N 15 122.558 0.300 . 1 . . . . 61 LYS N . 10193 1 723 . 1 1 61 61 LYS H H 1 8.056 0.030 . 1 . . . . 61 LYS H . 10193 1 724 . 1 1 61 61 LYS CA C 13 57.840 0.300 . 1 . . . . 61 LYS CA . 10193 1 725 . 1 1 61 61 LYS HA H 1 4.158 0.030 . 1 . . . . 61 LYS HA . 10193 1 726 . 1 1 61 61 LYS CB C 13 32.480 0.300 . 1 . . . . 61 LYS CB . 10193 1 727 . 1 1 61 61 LYS HB2 H 1 1.893 0.030 . 2 . . . . 61 LYS HB2 . 10193 1 728 . 1 1 61 61 LYS HB3 H 1 1.860 0.030 . 2 . . . . 61 LYS HB3 . 10193 1 729 . 1 1 61 61 LYS CG C 13 25.037 0.300 . 1 . . . . 61 LYS CG . 10193 1 730 . 1 1 61 61 LYS HG2 H 1 1.378 0.030 . 1 . . . . 61 LYS HG2 . 10193 1 731 . 1 1 61 61 LYS HG3 H 1 1.378 0.030 . 1 . . . . 61 LYS HG3 . 10193 1 732 . 1 1 61 61 LYS CD C 13 29.201 0.300 . 1 . . . . 61 LYS CD . 10193 1 733 . 1 1 61 61 LYS HD2 H 1 1.670 0.030 . 2 . . . . 61 LYS HD2 . 10193 1 734 . 1 1 61 61 LYS HD3 H 1 1.694 0.030 . 2 . . . . 61 LYS HD3 . 10193 1 735 . 1 1 61 61 LYS CE C 13 42.175 0.300 . 1 . . . . 61 LYS CE . 10193 1 736 . 1 1 61 61 LYS HE2 H 1 2.963 0.030 . 1 . . . . 61 LYS HE2 . 10193 1 737 . 1 1 61 61 LYS HE3 H 1 2.963 0.030 . 1 . . . . 61 LYS HE3 . 10193 1 738 . 1 1 61 61 LYS C C 13 177.737 0.300 . 1 . . . . 61 LYS C . 10193 1 739 . 1 1 62 62 LEU N N 15 120.763 0.300 . 1 . . . . 62 LEU N . 10193 1 740 . 1 1 62 62 LEU H H 1 8.145 0.030 . 1 . . . . 62 LEU H . 10193 1 741 . 1 1 62 62 LEU CA C 13 55.989 0.300 . 1 . . . . 62 LEU CA . 10193 1 742 . 1 1 62 62 LEU HA H 1 4.302 0.030 . 1 . . . . 62 LEU HA . 10193 1 743 . 1 1 62 62 LEU CB C 13 42.379 0.300 . 1 . . . . 62 LEU CB . 10193 1 744 . 1 1 62 62 LEU HB2 H 1 1.696 0.030 . 2 . . . . 62 LEU HB2 . 10193 1 745 . 1 1 62 62 LEU HB3 H 1 1.507 0.030 . 2 . . . . 62 LEU HB3 . 10193 1 746 . 1 1 62 62 LEU CG C 13 26.947 0.300 . 1 . . . . 62 LEU CG . 10193 1 747 . 1 1 62 62 LEU HG H 1 1.577 0.030 . 1 . . . . 62 LEU HG . 10193 1 748 . 1 1 62 62 LEU CD1 C 13 25.441 0.300 . 2 . . . . 62 LEU CD1 . 10193 1 749 . 1 1 62 62 LEU HD11 H 1 0.788 0.030 . 1 . . . . 62 LEU HD1 . 10193 1 750 . 1 1 62 62 LEU HD12 H 1 0.788 0.030 . 1 . . . . 62 LEU HD1 . 10193 1 751 . 1 1 62 62 LEU HD13 H 1 0.788 0.030 . 1 . . . . 62 LEU HD1 . 10193 1 752 . 1 1 62 62 LEU CD2 C 13 23.204 0.300 . 2 . . . . 62 LEU CD2 . 10193 1 753 . 1 1 62 62 LEU HD21 H 1 0.783 0.030 . 1 . . . . 62 LEU HD2 . 10193 1 754 . 1 1 62 62 LEU HD22 H 1 0.783 0.030 . 1 . . . . 62 LEU HD2 . 10193 1 755 . 1 1 62 62 LEU HD23 H 1 0.783 0.030 . 1 . . . . 62 LEU HD2 . 10193 1 756 . 1 1 62 62 LEU C C 13 178.178 0.300 . 1 . . . . 62 LEU C . 10193 1 757 . 1 1 63 63 THR N N 15 113.377 0.300 . 1 . . . . 63 THR N . 10193 1 758 . 1 1 63 63 THR H H 1 8.043 0.030 . 1 . . . . 63 THR H . 10193 1 759 . 1 1 63 63 THR CA C 13 63.007 0.300 . 1 . . . . 63 THR CA . 10193 1 760 . 1 1 63 63 THR HA H 1 4.285 0.030 . 1 . . . . 63 THR HA . 10193 1 761 . 1 1 63 63 THR CB C 13 70.153 0.300 . 1 . . . . 63 THR CB . 10193 1 762 . 1 1 63 63 THR HB H 1 4.297 0.030 . 1 . . . . 63 THR HB . 10193 1 763 . 1 1 63 63 THR CG2 C 13 21.709 0.300 . 1 . . . . 63 THR CG2 . 10193 1 764 . 1 1 63 63 THR HG21 H 1 1.217 0.030 . 1 . . . . 63 THR HG2 . 10193 1 765 . 1 1 63 63 THR HG22 H 1 1.217 0.030 . 1 . . . . 63 THR HG2 . 10193 1 766 . 1 1 63 63 THR HG23 H 1 1.217 0.030 . 1 . . . . 63 THR HG2 . 10193 1 767 . 1 1 63 63 THR C C 13 175.775 0.300 . 1 . . . . 63 THR C . 10193 1 768 . 1 1 64 64 LYS N N 15 122.961 0.300 . 1 . . . . 64 LYS N . 10193 1 769 . 1 1 64 64 LYS H H 1 8.333 0.030 . 1 . . . . 64 LYS H . 10193 1 770 . 1 1 64 64 LYS CA C 13 57.298 0.300 . 1 . . . . 64 LYS CA . 10193 1 771 . 1 1 64 64 LYS HA H 1 4.218 0.030 . 1 . . . . 64 LYS HA . 10193 1 772 . 1 1 64 64 LYS CB C 13 32.578 0.300 . 1 . . . . 64 LYS CB . 10193 1 773 . 1 1 64 64 LYS HB2 H 1 1.873 0.030 . 2 . . . . 64 LYS HB2 . 10193 1 774 . 1 1 64 64 LYS HB3 H 1 1.832 0.030 . 2 . . . . 64 LYS HB3 . 10193 1 775 . 1 1 64 64 LYS CG C 13 25.009 0.300 . 1 . . . . 64 LYS CG . 10193 1 776 . 1 1 64 64 LYS HG2 H 1 1.498 0.030 . 2 . . . . 64 LYS HG2 . 10193 1 777 . 1 1 64 64 LYS HG3 H 1 1.444 0.030 . 2 . . . . 64 LYS HG3 . 10193 1 778 . 1 1 64 64 LYS CD C 13 29.025 0.300 . 1 . . . . 64 LYS CD . 10193 1 779 . 1 1 64 64 LYS HD2 H 1 1.676 0.030 . 1 . . . . 64 LYS HD2 . 10193 1 780 . 1 1 64 64 LYS HD3 H 1 1.676 0.030 . 1 . . . . 64 LYS HD3 . 10193 1 781 . 1 1 64 64 LYS CE C 13 42.300 0.300 . 1 . . . . 64 LYS CE . 10193 1 782 . 1 1 64 64 LYS HE2 H 1 2.969 0.030 . 1 . . . . 64 LYS HE2 . 10193 1 783 . 1 1 64 64 LYS HE3 H 1 2.969 0.030 . 1 . . . . 64 LYS HE3 . 10193 1 784 . 1 1 64 64 LYS C C 13 176.684 0.300 . 1 . . . . 64 LYS C . 10193 1 785 . 1 1 65 65 ALA N N 15 123.107 0.300 . 1 . . . . 65 ALA N . 10193 1 786 . 1 1 65 65 ALA H H 1 8.024 0.030 . 1 . . . . 65 ALA H . 10193 1 787 . 1 1 65 65 ALA CA C 13 52.597 0.300 . 1 . . . . 65 ALA CA . 10193 1 788 . 1 1 65 65 ALA HA H 1 4.323 0.030 . 1 . . . . 65 ALA HA . 10193 1 789 . 1 1 65 65 ALA CB C 13 19.229 0.300 . 1 . . . . 65 ALA CB . 10193 1 790 . 1 1 65 65 ALA HB1 H 1 1.427 0.030 . 1 . . . . 65 ALA HB . 10193 1 791 . 1 1 65 65 ALA HB2 H 1 1.427 0.030 . 1 . . . . 65 ALA HB . 10193 1 792 . 1 1 65 65 ALA HB3 H 1 1.427 0.030 . 1 . . . . 65 ALA HB . 10193 1 793 . 1 1 65 65 ALA C C 13 178.017 0.300 . 1 . . . . 65 ALA C . 10193 1 794 . 1 1 66 66 GLY N N 15 107.464 0.300 . 1 . . . . 66 GLY N . 10193 1 795 . 1 1 66 66 GLY H H 1 8.165 0.030 . 1 . . . . 66 GLY H . 10193 1 796 . 1 1 66 66 GLY CA C 13 45.223 0.300 . 1 . . . . 66 GLY CA . 10193 1 797 . 1 1 66 66 GLY HA2 H 1 3.955 0.030 . 2 . . . . 66 GLY HA2 . 10193 1 798 . 1 1 66 66 GLY HA3 H 1 3.888 0.030 . 2 . . . . 66 GLY HA3 . 10193 1 799 . 1 1 66 66 GLY C C 13 173.809 0.300 . 1 . . . . 66 GLY C . 10193 1 800 . 1 1 67 67 ILE N N 15 121.784 0.300 . 1 . . . . 67 ILE N . 10193 1 801 . 1 1 67 67 ILE H H 1 7.825 0.030 . 1 . . . . 67 ILE H . 10193 1 802 . 1 1 67 67 ILE CA C 13 58.397 0.300 . 1 . . . . 67 ILE CA . 10193 1 803 . 1 1 67 67 ILE HA H 1 4.457 0.030 . 1 . . . . 67 ILE HA . 10193 1 804 . 1 1 67 67 ILE CB C 13 38.622 0.300 . 1 . . . . 67 ILE CB . 10193 1 805 . 1 1 67 67 ILE HB H 1 1.854 0.030 . 1 . . . . 67 ILE HB . 10193 1 806 . 1 1 67 67 ILE CG1 C 13 27.107 0.300 . 1 . . . . 67 ILE CG1 . 10193 1 807 . 1 1 67 67 ILE HG12 H 1 1.481 0.030 . 2 . . . . 67 ILE HG12 . 10193 1 808 . 1 1 67 67 ILE HG13 H 1 1.154 0.030 . 2 . . . . 67 ILE HG13 . 10193 1 809 . 1 1 67 67 ILE CG2 C 13 17.241 0.300 . 1 . . . . 67 ILE CG2 . 10193 1 810 . 1 1 67 67 ILE HG21 H 1 0.941 0.030 . 1 . . . . 67 ILE HG2 . 10193 1 811 . 1 1 67 67 ILE HG22 H 1 0.941 0.030 . 1 . . . . 67 ILE HG2 . 10193 1 812 . 1 1 67 67 ILE HG23 H 1 0.941 0.030 . 1 . . . . 67 ILE HG2 . 10193 1 813 . 1 1 67 67 ILE CD1 C 13 12.654 0.300 . 1 . . . . 67 ILE CD1 . 10193 1 814 . 1 1 67 67 ILE HD11 H 1 0.851 0.030 . 1 . . . . 67 ILE HD1 . 10193 1 815 . 1 1 67 67 ILE HD12 H 1 0.851 0.030 . 1 . . . . 67 ILE HD1 . 10193 1 816 . 1 1 67 67 ILE HD13 H 1 0.851 0.030 . 1 . . . . 67 ILE HD1 . 10193 1 817 . 1 1 67 67 ILE C C 13 174.638 0.300 . 1 . . . . 67 ILE C . 10193 1 818 . 1 1 68 68 PRO CA C 13 63.157 0.300 . 1 . . . . 68 PRO CA . 10193 1 819 . 1 1 68 68 PRO HA H 1 4.499 0.030 . 1 . . . . 68 PRO HA . 10193 1 820 . 1 1 68 68 PRO CB C 13 31.946 0.300 . 1 . . . . 68 PRO CB . 10193 1 821 . 1 1 68 68 PRO HB2 H 1 1.909 0.030 . 2 . . . . 68 PRO HB2 . 10193 1 822 . 1 1 68 68 PRO HB3 H 1 2.259 0.030 . 2 . . . . 68 PRO HB3 . 10193 1 823 . 1 1 68 68 PRO CG C 13 27.604 0.300 . 1 . . . . 68 PRO CG . 10193 1 824 . 1 1 68 68 PRO HG2 H 1 2.063 0.030 . 2 . . . . 68 PRO HG2 . 10193 1 825 . 1 1 68 68 PRO HG3 H 1 1.978 0.030 . 2 . . . . 68 PRO HG3 . 10193 1 826 . 1 1 68 68 PRO CD C 13 51.069 0.300 . 1 . . . . 68 PRO CD . 10193 1 827 . 1 1 68 68 PRO HD2 H 1 3.906 0.030 . 2 . . . . 68 PRO HD2 . 10193 1 828 . 1 1 68 68 PRO HD3 H 1 3.649 0.030 . 2 . . . . 68 PRO HD3 . 10193 1 829 . 1 1 68 68 PRO C C 13 176.866 0.300 . 1 . . . . 68 PRO C . 10193 1 830 . 1 1 69 69 VAL N N 15 120.953 0.300 . 1 . . . . 69 VAL N . 10193 1 831 . 1 1 69 69 VAL H H 1 8.269 0.030 . 1 . . . . 69 VAL H . 10193 1 832 . 1 1 69 69 VAL CA C 13 62.460 0.300 . 1 . . . . 69 VAL CA . 10193 1 833 . 1 1 69 69 VAL HA H 1 4.112 0.030 . 1 . . . . 69 VAL HA . 10193 1 834 . 1 1 69 69 VAL CB C 13 32.882 0.300 . 1 . . . . 69 VAL CB . 10193 1 835 . 1 1 69 69 VAL HB H 1 2.061 0.030 . 1 . . . . 69 VAL HB . 10193 1 836 . 1 1 69 69 VAL CG1 C 13 21.523 0.300 . 2 . . . . 69 VAL CG1 . 10193 1 837 . 1 1 69 69 VAL HG11 H 1 0.929 0.030 . 1 . . . . 69 VAL HG1 . 10193 1 838 . 1 1 69 69 VAL HG12 H 1 0.929 0.030 . 1 . . . . 69 VAL HG1 . 10193 1 839 . 1 1 69 69 VAL HG13 H 1 0.929 0.030 . 1 . . . . 69 VAL HG1 . 10193 1 840 . 1 1 69 69 VAL CG2 C 13 20.587 0.300 . 2 . . . . 69 VAL CG2 . 10193 1 841 . 1 1 69 69 VAL HG21 H 1 0.922 0.030 . 1 . . . . 69 VAL HG2 . 10193 1 842 . 1 1 69 69 VAL HG22 H 1 0.922 0.030 . 1 . . . . 69 VAL HG2 . 10193 1 843 . 1 1 69 69 VAL HG23 H 1 0.922 0.030 . 1 . . . . 69 VAL HG2 . 10193 1 844 . 1 1 69 69 VAL C C 13 176.217 0.300 . 1 . . . . 69 VAL C . 10193 1 845 . 1 1 70 70 SER N N 15 118.672 0.300 . 1 . . . . 70 SER N . 10193 1 846 . 1 1 70 70 SER H H 1 8.321 0.030 . 1 . . . . 70 SER H . 10193 1 847 . 1 1 70 70 SER CA C 13 58.127 0.300 . 1 . . . . 70 SER CA . 10193 1 848 . 1 1 70 70 SER HA H 1 4.536 0.030 . 1 . . . . 70 SER HA . 10193 1 849 . 1 1 70 70 SER CB C 13 64.051 0.300 . 1 . . . . 70 SER CB . 10193 1 850 . 1 1 70 70 SER HB2 H 1 3.871 0.030 . 1 . . . . 70 SER HB2 . 10193 1 851 . 1 1 70 70 SER HB3 H 1 3.871 0.030 . 1 . . . . 70 SER HB3 . 10193 1 852 . 1 1 70 70 SER C C 13 174.419 0.300 . 1 . . . . 70 SER C . 10193 1 853 . 1 1 72 72 PRO CA C 13 63.221 0.300 . 1 . . . . 72 PRO CA . 10193 1 854 . 1 1 72 72 PRO HA H 1 4.480 0.030 . 1 . . . . 72 PRO HA . 10193 1 855 . 1 1 72 72 PRO CB C 13 32.287 0.300 . 1 . . . . 72 PRO CB . 10193 1 856 . 1 1 72 72 PRO HB2 H 1 2.301 0.030 . 2 . . . . 72 PRO HB2 . 10193 1 857 . 1 1 72 72 PRO HB3 H 1 1.985 0.030 . 2 . . . . 72 PRO HB3 . 10193 1 858 . 1 1 72 72 PRO CG C 13 27.193 0.300 . 1 . . . . 72 PRO CG . 10193 1 859 . 1 1 72 72 PRO HG2 H 1 2.016 0.030 . 1 . . . . 72 PRO HG2 . 10193 1 860 . 1 1 72 72 PRO HG3 H 1 2.016 0.030 . 1 . . . . 72 PRO HG3 . 10193 1 861 . 1 1 72 72 PRO CD C 13 49.803 0.300 . 1 . . . . 72 PRO CD . 10193 1 862 . 1 1 72 72 PRO HD2 H 1 3.619 0.030 . 1 . . . . 72 PRO HD2 . 10193 1 863 . 1 1 72 72 PRO HD3 H 1 3.619 0.030 . 1 . . . . 72 PRO HD3 . 10193 1 864 . 1 1 73 73 SER N N 15 116.355 0.300 . 1 . . . . 73 SER N . 10193 1 865 . 1 1 73 73 SER H H 1 8.521 0.030 . 1 . . . . 73 SER H . 10193 1 866 . 1 1 73 73 SER CA C 13 58.407 0.300 . 1 . . . . 73 SER CA . 10193 1 867 . 1 1 73 73 SER HA H 1 4.580 0.030 . 1 . . . . 73 SER HA . 10193 1 868 . 1 1 73 73 SER CB C 13 63.942 0.300 . 1 . . . . 73 SER CB . 10193 1 869 . 1 1 73 73 SER HB2 H 1 3.899 0.030 . 1 . . . . 73 SER HB2 . 10193 1 870 . 1 1 73 73 SER HB3 H 1 3.899 0.030 . 1 . . . . 73 SER HB3 . 10193 1 stop_ save_