data_11173 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11173 _Entry.Title ; Solution Structure of the First UBA Domain in the Human Ubiquitin Specific Protease 5 (Isopeptidase 5) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-20 _Entry.Accession_date 2010-05-20 _Entry.Last_release_date 2010-06-16 _Entry.Original_release_date 2010-06-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11173 2 T. Kigawa . . . 11173 3 T. Tomizawa . . . 11173 4 S. Koshiba . . . 11173 5 M. Inoue . . . 11173 6 S. Yokoyama . . . 11173 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11173 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11173 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 11173 '15N chemical shifts' 57 11173 '1H chemical shifts' 387 11173 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 . . 2010-06-16 2010-05-20 original author . 11173 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DAG 'BMRB Entry Tracking System' 11173 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11173 _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 First UBA Domain in the Human Ubiquitin Specific Protease 5 (Isopeptidase 5) ; _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 C. Zhao . . . 11173 1 2 T. Kigawa . . . 11173 1 3 T. Tomizawa . . . 11173 1 4 S. Koshiba . . . 11173 1 5 M. Inoue . . . 11173 1 6 S. Yokoyama . . . 11173 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11173 _Assembly.ID 1 _Assembly.Name 'Ubiquitin carboxyl-terminal hydrolase 5' _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 E.C.3.1.2.15 _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 'UBA domain' 1 $entity_1 A . yes native no no . . . 11173 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dag . . . . . . 11173 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11173 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UBA domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGLDESVIIQLVEMG FPMDACRKAVYYTGNSGAEA AMNWVMSHMDDPDFANPLIL PGSSGPGSSGPSSG ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 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 2DAG . "Solution Structure Of The First Uba Domain In The Human Ubiquitin Specific Protease 5 (Isopeptidase 5)" . . . . . 100.00 74 100.00 100.00 2.08e-44 . . . . 11173 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'UBA domain' . 11173 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 . 11173 1 2 . SER . 11173 1 3 . SER . 11173 1 4 . GLY . 11173 1 5 . SER . 11173 1 6 . SER . 11173 1 7 . GLY . 11173 1 8 . LEU . 11173 1 9 . ASP . 11173 1 10 . GLU . 11173 1 11 . SER . 11173 1 12 . VAL . 11173 1 13 . ILE . 11173 1 14 . ILE . 11173 1 15 . GLN . 11173 1 16 . LEU . 11173 1 17 . VAL . 11173 1 18 . GLU . 11173 1 19 . MET . 11173 1 20 . GLY . 11173 1 21 . PHE . 11173 1 22 . PRO . 11173 1 23 . MET . 11173 1 24 . ASP . 11173 1 25 . ALA . 11173 1 26 . CYS . 11173 1 27 . ARG . 11173 1 28 . LYS . 11173 1 29 . ALA . 11173 1 30 . VAL . 11173 1 31 . TYR . 11173 1 32 . TYR . 11173 1 33 . THR . 11173 1 34 . GLY . 11173 1 35 . ASN . 11173 1 36 . SER . 11173 1 37 . GLY . 11173 1 38 . ALA . 11173 1 39 . GLU . 11173 1 40 . ALA . 11173 1 41 . ALA . 11173 1 42 . MET . 11173 1 43 . ASN . 11173 1 44 . TRP . 11173 1 45 . VAL . 11173 1 46 . MET . 11173 1 47 . SER . 11173 1 48 . HIS . 11173 1 49 . MET . 11173 1 50 . ASP . 11173 1 51 . ASP . 11173 1 52 . PRO . 11173 1 53 . ASP . 11173 1 54 . PHE . 11173 1 55 . ALA . 11173 1 56 . ASN . 11173 1 57 . PRO . 11173 1 58 . LEU . 11173 1 59 . ILE . 11173 1 60 . LEU . 11173 1 61 . PRO . 11173 1 62 . GLY . 11173 1 63 . SER . 11173 1 64 . SER . 11173 1 65 . GLY . 11173 1 66 . PRO . 11173 1 67 . GLY . 11173 1 68 . SER . 11173 1 69 . SER . 11173 1 70 . GLY . 11173 1 71 . PRO . 11173 1 72 . SER . 11173 1 73 . SER . 11173 1 74 . GLY . 11173 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 11173 1 . SER 2 2 11173 1 . SER 3 3 11173 1 . GLY 4 4 11173 1 . SER 5 5 11173 1 . SER 6 6 11173 1 . GLY 7 7 11173 1 . LEU 8 8 11173 1 . ASP 9 9 11173 1 . GLU 10 10 11173 1 . SER 11 11 11173 1 . VAL 12 12 11173 1 . ILE 13 13 11173 1 . ILE 14 14 11173 1 . GLN 15 15 11173 1 . LEU 16 16 11173 1 . VAL 17 17 11173 1 . GLU 18 18 11173 1 . MET 19 19 11173 1 . GLY 20 20 11173 1 . PHE 21 21 11173 1 . PRO 22 22 11173 1 . MET 23 23 11173 1 . ASP 24 24 11173 1 . ALA 25 25 11173 1 . CYS 26 26 11173 1 . ARG 27 27 11173 1 . LYS 28 28 11173 1 . ALA 29 29 11173 1 . VAL 30 30 11173 1 . TYR 31 31 11173 1 . TYR 32 32 11173 1 . THR 33 33 11173 1 . GLY 34 34 11173 1 . ASN 35 35 11173 1 . SER 36 36 11173 1 . GLY 37 37 11173 1 . ALA 38 38 11173 1 . GLU 39 39 11173 1 . ALA 40 40 11173 1 . ALA 41 41 11173 1 . MET 42 42 11173 1 . ASN 43 43 11173 1 . TRP 44 44 11173 1 . VAL 45 45 11173 1 . MET 46 46 11173 1 . SER 47 47 11173 1 . HIS 48 48 11173 1 . MET 49 49 11173 1 . ASP 50 50 11173 1 . ASP 51 51 11173 1 . PRO 52 52 11173 1 . ASP 53 53 11173 1 . PHE 54 54 11173 1 . ALA 55 55 11173 1 . ASN 56 56 11173 1 . PRO 57 57 11173 1 . LEU 58 58 11173 1 . ILE 59 59 11173 1 . LEU 60 60 11173 1 . PRO 61 61 11173 1 . GLY 62 62 11173 1 . SER 63 63 11173 1 . SER 64 64 11173 1 . GLY 65 65 11173 1 . PRO 66 66 11173 1 . GLY 67 67 11173 1 . SER 68 68 11173 1 . SER 69 69 11173 1 . GLY 70 70 11173 1 . PRO 71 71 11173 1 . SER 72 72 11173 1 . SER 73 73 11173 1 . GLY 74 74 11173 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 11173 _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 . . . . . . . . . . . . . . . . . . . . . 11173 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 11173 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050613-08 . . . . . . 11173 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11173 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.05mM UBA domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'UBA domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.05 . . mM . . . . 11173 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11173 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11173 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11173 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11173 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11173 1 7 D2O 'natural abundance' . . . . . solvent 10 . . % . . . . 11173 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 11173 _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 11173 1 pH 7.0 0.05 pH 11173 1 pressure 1 0.001 atm 11173 1 temperature 296.0 0.1 K 11173 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11173 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11173 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11173 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11173 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11173 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11173 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11173 _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.' . . 11173 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11173 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11173 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11173 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11173 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11173 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11173 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11173 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 11173 _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 11173 _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 . . . 11173 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 11173 _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 . . . . . . . . . . . . . . . . 11173 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11173 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 11173 _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 . . . . . . . . . 11173 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11173 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11173 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 11173 _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 11173 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11173 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11173 1 2 $NMRPipe . . 11173 1 3 $NMRView . . 11173 1 4 $Kujira . . 11173 1 5 $CYANA . . 11173 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY H H 1 8.223 0.030 . 1 . . . . 7 GLY H . 11173 1 2 . 1 1 7 7 GLY HA2 H 1 3.842 0.030 . 1 . . . . 7 GLY HA2 . 11173 1 3 . 1 1 7 7 GLY HA3 H 1 3.842 0.030 . 1 . . . . 7 GLY HA3 . 11173 1 4 . 1 1 7 7 GLY C C 13 171.117 0.300 . 1 . . . . 7 GLY C . 11173 1 5 . 1 1 7 7 GLY CA C 13 42.898 0.300 . 1 . . . . 7 GLY CA . 11173 1 6 . 1 1 8 8 LEU H H 1 7.820 0.030 . 1 . . . . 8 LEU H . 11173 1 7 . 1 1 8 8 LEU HA H 1 4.153 0.030 . 1 . . . . 8 LEU HA . 11173 1 8 . 1 1 8 8 LEU HB2 H 1 1.496 0.030 . 2 . . . . 8 LEU HB2 . 11173 1 9 . 1 1 8 8 LEU HB3 H 1 1.082 0.030 . 2 . . . . 8 LEU HB3 . 11173 1 10 . 1 1 8 8 LEU HD11 H 1 0.691 0.030 . 1 . . . . 8 LEU HD1 . 11173 1 11 . 1 1 8 8 LEU HD12 H 1 0.691 0.030 . 1 . . . . 8 LEU HD1 . 11173 1 12 . 1 1 8 8 LEU HD13 H 1 0.691 0.030 . 1 . . . . 8 LEU HD1 . 11173 1 13 . 1 1 8 8 LEU HD21 H 1 0.734 0.030 . 1 . . . . 8 LEU HD2 . 11173 1 14 . 1 1 8 8 LEU HD22 H 1 0.734 0.030 . 1 . . . . 8 LEU HD2 . 11173 1 15 . 1 1 8 8 LEU HD23 H 1 0.734 0.030 . 1 . . . . 8 LEU HD2 . 11173 1 16 . 1 1 8 8 LEU HG H 1 1.509 0.030 . 1 . . . . 8 LEU HG . 11173 1 17 . 1 1 8 8 LEU C C 13 174.497 0.300 . 1 . . . . 8 LEU C . 11173 1 18 . 1 1 8 8 LEU CA C 13 51.645 0.300 . 1 . . . . 8 LEU CA . 11173 1 19 . 1 1 8 8 LEU CB C 13 40.965 0.300 . 1 . . . . 8 LEU CB . 11173 1 20 . 1 1 8 8 LEU CD1 C 13 20.713 0.300 . 2 . . . . 8 LEU CD1 . 11173 1 21 . 1 1 8 8 LEU CD2 C 13 23.442 0.300 . 2 . . . . 8 LEU CD2 . 11173 1 22 . 1 1 8 8 LEU CG C 13 24.150 0.300 . 1 . . . . 8 LEU CG . 11173 1 23 . 1 1 8 8 LEU N N 15 119.147 0.300 . 1 . . . . 8 LEU N . 11173 1 24 . 1 1 9 9 ASP H H 1 8.087 0.030 . 1 . . . . 9 ASP H . 11173 1 25 . 1 1 9 9 ASP HA H 1 4.420 0.030 . 1 . . . . 9 ASP HA . 11173 1 26 . 1 1 9 9 ASP HB2 H 1 2.792 0.030 . 2 . . . . 9 ASP HB2 . 11173 1 27 . 1 1 9 9 ASP HB3 H 1 2.515 0.030 . 2 . . . . 9 ASP HB3 . 11173 1 28 . 1 1 9 9 ASP C C 13 174.231 0.300 . 1 . . . . 9 ASP C . 11173 1 29 . 1 1 9 9 ASP CA C 13 52.127 0.300 . 1 . . . . 9 ASP CA . 11173 1 30 . 1 1 9 9 ASP CB C 13 38.005 0.300 . 1 . . . . 9 ASP CB . 11173 1 31 . 1 1 9 9 ASP N N 15 120.708 0.300 . 1 . . . . 9 ASP N . 11173 1 32 . 1 1 10 10 GLU H H 1 8.570 0.030 . 1 . . . . 10 GLU H . 11173 1 33 . 1 1 10 10 GLU HA H 1 3.885 0.030 . 1 . . . . 10 GLU HA . 11173 1 34 . 1 1 10 10 GLU HB2 H 1 2.036 0.030 . 2 . . . . 10 GLU HB2 . 11173 1 35 . 1 1 10 10 GLU HB3 H 1 1.897 0.030 . 2 . . . . 10 GLU HB3 . 11173 1 36 . 1 1 10 10 GLU HG2 H 1 2.247 0.030 . 2 . . . . 10 GLU HG2 . 11173 1 37 . 1 1 10 10 GLU HG3 H 1 2.318 0.030 . 2 . . . . 10 GLU HG3 . 11173 1 38 . 1 1 10 10 GLU C C 13 175.769 0.300 . 1 . . . . 10 GLU C . 11173 1 39 . 1 1 10 10 GLU CA C 13 56.225 0.300 . 1 . . . . 10 GLU CA . 11173 1 40 . 1 1 10 10 GLU CB C 13 27.157 0.300 . 1 . . . . 10 GLU CB . 11173 1 41 . 1 1 10 10 GLU CG C 13 33.455 0.300 . 1 . . . . 10 GLU CG . 11173 1 42 . 1 1 10 10 GLU N N 15 127.393 0.300 . 1 . . . . 10 GLU N . 11173 1 43 . 1 1 11 11 SER H H 1 8.338 0.030 . 1 . . . . 11 SER H . 11173 1 44 . 1 1 11 11 SER HA H 1 4.095 0.030 . 1 . . . . 11 SER HA . 11173 1 45 . 1 1 11 11 SER HB2 H 1 3.874 0.030 . 1 . . . . 11 SER HB2 . 11173 1 46 . 1 1 11 11 SER HB3 H 1 3.874 0.030 . 1 . . . . 11 SER HB3 . 11173 1 47 . 1 1 11 11 SER C C 13 174.703 0.300 . 1 . . . . 11 SER C . 11173 1 48 . 1 1 11 11 SER CA C 13 59.282 0.300 . 1 . . . . 11 SER CA . 11173 1 49 . 1 1 11 11 SER CB C 13 60.047 0.300 . 1 . . . . 11 SER CB . 11173 1 50 . 1 1 11 11 SER N N 15 114.584 0.300 . 1 . . . . 11 SER N . 11173 1 51 . 1 1 12 12 VAL H H 1 7.314 0.030 . 1 . . . . 12 VAL H . 11173 1 52 . 1 1 12 12 VAL HA H 1 3.618 0.030 . 1 . . . . 12 VAL HA . 11173 1 53 . 1 1 12 12 VAL HB H 1 2.001 0.030 . 1 . . . . 12 VAL HB . 11173 1 54 . 1 1 12 12 VAL HG11 H 1 0.617 0.030 . 1 . . . . 12 VAL HG1 . 11173 1 55 . 1 1 12 12 VAL HG12 H 1 0.617 0.030 . 1 . . . . 12 VAL HG1 . 11173 1 56 . 1 1 12 12 VAL HG13 H 1 0.617 0.030 . 1 . . . . 12 VAL HG1 . 11173 1 57 . 1 1 12 12 VAL HG21 H 1 0.893 0.030 . 1 . . . . 12 VAL HG2 . 11173 1 58 . 1 1 12 12 VAL HG22 H 1 0.893 0.030 . 1 . . . . 12 VAL HG2 . 11173 1 59 . 1 1 12 12 VAL HG23 H 1 0.893 0.030 . 1 . . . . 12 VAL HG2 . 11173 1 60 . 1 1 12 12 VAL C C 13 174.824 0.300 . 1 . . . . 12 VAL C . 11173 1 61 . 1 1 12 12 VAL CA C 13 63.556 0.300 . 1 . . . . 12 VAL CA . 11173 1 62 . 1 1 12 12 VAL CB C 13 29.245 0.300 . 1 . . . . 12 VAL CB . 11173 1 63 . 1 1 12 12 VAL CG1 C 13 19.419 0.300 . 2 . . . . 12 VAL CG1 . 11173 1 64 . 1 1 12 12 VAL CG2 C 13 20.712 0.300 . 2 . . . . 12 VAL CG2 . 11173 1 65 . 1 1 12 12 VAL N N 15 124.415 0.300 . 1 . . . . 12 VAL N . 11173 1 66 . 1 1 13 13 ILE H H 1 7.274 0.030 . 1 . . . . 13 ILE H . 11173 1 67 . 1 1 13 13 ILE HA H 1 3.237 0.030 . 1 . . . . 13 ILE HA . 11173 1 68 . 1 1 13 13 ILE HB H 1 1.862 0.030 . 1 . . . . 13 ILE HB . 11173 1 69 . 1 1 13 13 ILE HD11 H 1 0.652 0.030 . 1 . . . . 13 ILE HD1 . 11173 1 70 . 1 1 13 13 ILE HD12 H 1 0.652 0.030 . 1 . . . . 13 ILE HD1 . 11173 1 71 . 1 1 13 13 ILE HD13 H 1 0.652 0.030 . 1 . . . . 13 ILE HD1 . 11173 1 72 . 1 1 13 13 ILE HG12 H 1 1.617 0.030 . 2 . . . . 13 ILE HG12 . 11173 1 73 . 1 1 13 13 ILE HG13 H 1 0.649 0.030 . 2 . . . . 13 ILE HG13 . 11173 1 74 . 1 1 13 13 ILE HG21 H 1 0.720 0.030 . 1 . . . . 13 ILE HG2 . 11173 1 75 . 1 1 13 13 ILE HG22 H 1 0.720 0.030 . 1 . . . . 13 ILE HG2 . 11173 1 76 . 1 1 13 13 ILE HG23 H 1 0.720 0.030 . 1 . . . . 13 ILE HG2 . 11173 1 77 . 1 1 13 13 ILE C C 13 175.103 0.300 . 1 . . . . 13 ILE C . 11173 1 78 . 1 1 13 13 ILE CA C 13 64.103 0.300 . 1 . . . . 13 ILE CA . 11173 1 79 . 1 1 13 13 ILE CB C 13 35.414 0.300 . 1 . . . . 13 ILE CB . 11173 1 80 . 1 1 13 13 ILE CD1 C 13 11.633 0.300 . 1 . . . . 13 ILE CD1 . 11173 1 81 . 1 1 13 13 ILE CG1 C 13 27.519 0.300 . 1 . . . . 13 ILE CG1 . 11173 1 82 . 1 1 13 13 ILE CG2 C 13 15.445 0.300 . 1 . . . . 13 ILE CG2 . 11173 1 83 . 1 1 13 13 ILE N N 15 118.738 0.300 . 1 . . . . 13 ILE N . 11173 1 84 . 1 1 14 14 ILE H H 1 7.965 0.030 . 1 . . . . 14 ILE H . 11173 1 85 . 1 1 14 14 ILE HA H 1 3.629 0.030 . 1 . . . . 14 ILE HA . 11173 1 86 . 1 1 14 14 ILE HB H 1 1.799 0.030 . 1 . . . . 14 ILE HB . 11173 1 87 . 1 1 14 14 ILE HD11 H 1 0.739 0.030 . 1 . . . . 14 ILE HD1 . 11173 1 88 . 1 1 14 14 ILE HD12 H 1 0.739 0.030 . 1 . . . . 14 ILE HD1 . 11173 1 89 . 1 1 14 14 ILE HD13 H 1 0.739 0.030 . 1 . . . . 14 ILE HD1 . 11173 1 90 . 1 1 14 14 ILE HG12 H 1 1.524 0.030 . 2 . . . . 14 ILE HG12 . 11173 1 91 . 1 1 14 14 ILE HG13 H 1 1.234 0.030 . 2 . . . . 14 ILE HG13 . 11173 1 92 . 1 1 14 14 ILE HG21 H 1 0.837 0.030 . 1 . . . . 14 ILE HG2 . 11173 1 93 . 1 1 14 14 ILE HG22 H 1 0.837 0.030 . 1 . . . . 14 ILE HG2 . 11173 1 94 . 1 1 14 14 ILE HG23 H 1 0.837 0.030 . 1 . . . . 14 ILE HG2 . 11173 1 95 . 1 1 14 14 ILE C C 13 175.261 0.300 . 1 . . . . 14 ILE C . 11173 1 96 . 1 1 14 14 ILE CA C 13 61.945 0.300 . 1 . . . . 14 ILE CA . 11173 1 97 . 1 1 14 14 ILE CB C 13 35.356 0.300 . 1 . . . . 14 ILE CB . 11173 1 98 . 1 1 14 14 ILE CD1 C 13 10.126 0.300 . 1 . . . . 14 ILE CD1 . 11173 1 99 . 1 1 14 14 ILE CG1 C 13 26.861 0.300 . 1 . . . . 14 ILE CG1 . 11173 1 100 . 1 1 14 14 ILE CG2 C 13 15.248 0.300 . 1 . . . . 14 ILE CG2 . 11173 1 101 . 1 1 14 14 ILE N N 15 116.677 0.300 . 1 . . . . 14 ILE N . 11173 1 102 . 1 1 15 15 GLN H H 1 7.433 0.030 . 1 . . . . 15 GLN H . 11173 1 103 . 1 1 15 15 GLN HA H 1 3.975 0.030 . 1 . . . . 15 GLN HA . 11173 1 104 . 1 1 15 15 GLN HB2 H 1 2.071 0.030 . 2 . . . . 15 GLN HB2 . 11173 1 105 . 1 1 15 15 GLN HB3 H 1 2.201 0.030 . 2 . . . . 15 GLN HB3 . 11173 1 106 . 1 1 15 15 GLN HE21 H 1 6.639 0.030 . 2 . . . . 15 GLN HE21 . 11173 1 107 . 1 1 15 15 GLN HE22 H 1 7.165 0.030 . 2 . . . . 15 GLN HE22 . 11173 1 108 . 1 1 15 15 GLN HG2 H 1 2.483 0.030 . 2 . . . . 15 GLN HG2 . 11173 1 109 . 1 1 15 15 GLN HG3 H 1 2.204 0.030 . 2 . . . . 15 GLN HG3 . 11173 1 110 . 1 1 15 15 GLN C C 13 176.593 0.300 . 1 . . . . 15 GLN C . 11173 1 111 . 1 1 15 15 GLN CA C 13 56.889 0.300 . 1 . . . . 15 GLN CA . 11173 1 112 . 1 1 15 15 GLN CB C 13 26.300 0.300 . 1 . . . . 15 GLN CB . 11173 1 113 . 1 1 15 15 GLN CG C 13 31.870 0.300 . 1 . . . . 15 GLN CG . 11173 1 114 . 1 1 15 15 GLN N N 15 119.408 0.300 . 1 . . . . 15 GLN N . 11173 1 115 . 1 1 15 15 GLN NE2 N 15 109.870 0.300 . 1 . . . . 15 GLN NE2 . 11173 1 116 . 1 1 16 16 LEU H H 1 7.746 0.030 . 1 . . . . 16 LEU H . 11173 1 117 . 1 1 16 16 LEU HA H 1 4.271 0.030 . 1 . . . . 16 LEU HA . 11173 1 118 . 1 1 16 16 LEU HB2 H 1 1.889 0.030 . 1 . . . . 16 LEU HB2 . 11173 1 119 . 1 1 16 16 LEU HB3 H 1 1.889 0.030 . 1 . . . . 16 LEU HB3 . 11173 1 120 . 1 1 16 16 LEU HD11 H 1 0.700 0.030 . 1 . . . . 16 LEU HD1 . 11173 1 121 . 1 1 16 16 LEU HD12 H 1 0.700 0.030 . 1 . . . . 16 LEU HD1 . 11173 1 122 . 1 1 16 16 LEU HD13 H 1 0.700 0.030 . 1 . . . . 16 LEU HD1 . 11173 1 123 . 1 1 16 16 LEU HD21 H 1 0.782 0.030 . 1 . . . . 16 LEU HD2 . 11173 1 124 . 1 1 16 16 LEU HD22 H 1 0.782 0.030 . 1 . . . . 16 LEU HD2 . 11173 1 125 . 1 1 16 16 LEU HD23 H 1 0.782 0.030 . 1 . . . . 16 LEU HD2 . 11173 1 126 . 1 1 16 16 LEU HG H 1 1.890 0.030 . 1 . . . . 16 LEU HG . 11173 1 127 . 1 1 16 16 LEU C C 13 177.102 0.300 . 1 . . . . 16 LEU C . 11173 1 128 . 1 1 16 16 LEU CA C 13 55.960 0.300 . 1 . . . . 16 LEU CA . 11173 1 129 . 1 1 16 16 LEU CB C 13 40.307 0.300 . 1 . . . . 16 LEU CB . 11173 1 130 . 1 1 16 16 LEU CD1 C 13 24.040 0.300 . 2 . . . . 16 LEU CD1 . 11173 1 131 . 1 1 16 16 LEU CD2 C 13 21.380 0.300 . 2 . . . . 16 LEU CD2 . 11173 1 132 . 1 1 16 16 LEU CG C 13 25.463 0.300 . 1 . . . . 16 LEU CG . 11173 1 133 . 1 1 16 16 LEU N N 15 119.356 0.300 . 1 . . . . 16 LEU N . 11173 1 134 . 1 1 17 17 VAL H H 1 8.576 0.030 . 1 . . . . 17 VAL H . 11173 1 135 . 1 1 17 17 VAL HA H 1 4.173 0.030 . 1 . . . . 17 VAL HA . 11173 1 136 . 1 1 17 17 VAL HB H 1 2.222 0.030 . 1 . . . . 17 VAL HB . 11173 1 137 . 1 1 17 17 VAL HG11 H 1 0.933 0.030 . 1 . . . . 17 VAL HG1 . 11173 1 138 . 1 1 17 17 VAL HG12 H 1 0.933 0.030 . 1 . . . . 17 VAL HG1 . 11173 1 139 . 1 1 17 17 VAL HG13 H 1 0.933 0.030 . 1 . . . . 17 VAL HG1 . 11173 1 140 . 1 1 17 17 VAL HG21 H 1 1.071 0.030 . 1 . . . . 17 VAL HG2 . 11173 1 141 . 1 1 17 17 VAL HG22 H 1 1.071 0.030 . 1 . . . . 17 VAL HG2 . 11173 1 142 . 1 1 17 17 VAL HG23 H 1 1.071 0.030 . 1 . . . . 17 VAL HG2 . 11173 1 143 . 1 1 17 17 VAL C C 13 179.901 0.300 . 1 . . . . 17 VAL C . 11173 1 144 . 1 1 17 17 VAL CA C 13 63.232 0.300 . 1 . . . . 17 VAL CA . 11173 1 145 . 1 1 17 17 VAL CB C 13 29.574 0.300 . 1 . . . . 17 VAL CB . 11173 1 146 . 1 1 17 17 VAL CG1 C 13 19.030 0.300 . 2 . . . . 17 VAL CG1 . 11173 1 147 . 1 1 17 17 VAL CG2 C 13 22.076 0.300 . 2 . . . . 17 VAL CG2 . 11173 1 148 . 1 1 17 17 VAL N N 15 124.066 0.300 . 1 . . . . 17 VAL N . 11173 1 149 . 1 1 18 18 GLU H H 1 8.389 0.030 . 1 . . . . 18 GLU H . 11173 1 150 . 1 1 18 18 GLU HA H 1 3.978 0.030 . 1 . . . . 18 GLU HA . 11173 1 151 . 1 1 18 18 GLU HB2 H 1 2.091 0.030 . 2 . . . . 18 GLU HB2 . 11173 1 152 . 1 1 18 18 GLU HB3 H 1 2.020 0.030 . 2 . . . . 18 GLU HB3 . 11173 1 153 . 1 1 18 18 GLU HG2 H 1 2.187 0.030 . 2 . . . . 18 GLU HG2 . 11173 1 154 . 1 1 18 18 GLU HG3 H 1 2.459 0.030 . 2 . . . . 18 GLU HG3 . 11173 1 155 . 1 1 18 18 GLU C C 13 175.915 0.300 . 1 . . . . 18 GLU C . 11173 1 156 . 1 1 18 18 GLU CA C 13 56.472 0.300 . 1 . . . . 18 GLU CA . 11173 1 157 . 1 1 18 18 GLU CB C 13 26.747 0.300 . 1 . . . . 18 GLU CB . 11173 1 158 . 1 1 18 18 GLU CG C 13 34.643 0.300 . 1 . . . . 18 GLU CG . 11173 1 159 . 1 1 18 18 GLU N N 15 121.147 0.300 . 1 . . . . 18 GLU N . 11173 1 160 . 1 1 19 19 MET H H 1 7.454 0.030 . 1 . . . . 19 MET H . 11173 1 161 . 1 1 19 19 MET HA H 1 4.199 0.030 . 1 . . . . 19 MET HA . 11173 1 162 . 1 1 19 19 MET HB2 H 1 2.372 0.030 . 2 . . . . 19 MET HB2 . 11173 1 163 . 1 1 19 19 MET HB3 H 1 2.164 0.030 . 2 . . . . 19 MET HB3 . 11173 1 164 . 1 1 19 19 MET HE1 H 1 2.151 0.030 . 1 . . . . 19 MET HE . 11173 1 165 . 1 1 19 19 MET HE2 H 1 2.151 0.030 . 1 . . . . 19 MET HE . 11173 1 166 . 1 1 19 19 MET HE3 H 1 2.151 0.030 . 1 . . . . 19 MET HE . 11173 1 167 . 1 1 19 19 MET HG2 H 1 2.575 0.030 . 2 . . . . 19 MET HG2 . 11173 1 168 . 1 1 19 19 MET HG3 H 1 2.943 0.030 . 2 . . . . 19 MET HG3 . 11173 1 169 . 1 1 19 19 MET C C 13 173.855 0.300 . 1 . . . . 19 MET C . 11173 1 170 . 1 1 19 19 MET CA C 13 54.514 0.300 . 1 . . . . 19 MET CA . 11173 1 171 . 1 1 19 19 MET CB C 13 30.972 0.300 . 1 . . . . 19 MET CB . 11173 1 172 . 1 1 19 19 MET CE C 13 15.094 0.300 . 1 . . . . 19 MET CE . 11173 1 173 . 1 1 19 19 MET CG C 13 30.461 0.300 . 1 . . . . 19 MET CG . 11173 1 174 . 1 1 19 19 MET N N 15 116.627 0.300 . 1 . . . . 19 MET N . 11173 1 175 . 1 1 20 20 GLY H H 1 7.972 0.030 . 1 . . . . 20 GLY H . 11173 1 176 . 1 1 20 20 GLY HA2 H 1 4.002 0.030 . 2 . . . . 20 GLY HA2 . 11173 1 177 . 1 1 20 20 GLY HA3 H 1 3.513 0.030 . 2 . . . . 20 GLY HA3 . 11173 1 178 . 1 1 20 20 GLY C C 13 171.747 0.300 . 1 . . . . 20 GLY C . 11173 1 179 . 1 1 20 20 GLY CA C 13 42.416 0.300 . 1 . . . . 20 GLY CA . 11173 1 180 . 1 1 20 20 GLY N N 15 105.047 0.300 . 1 . . . . 20 GLY N . 11173 1 181 . 1 1 21 21 PHE H H 1 6.952 0.030 . 1 . . . . 21 PHE H . 11173 1 182 . 1 1 21 21 PHE HA H 1 4.928 0.030 . 1 . . . . 21 PHE HA . 11173 1 183 . 1 1 21 21 PHE HB2 H 1 2.565 0.030 . 2 . . . . 21 PHE HB2 . 11173 1 184 . 1 1 21 21 PHE HB3 H 1 2.843 0.030 . 2 . . . . 21 PHE HB3 . 11173 1 185 . 1 1 21 21 PHE HD1 H 1 7.390 0.030 . 1 . . . . 21 PHE HD1 . 11173 1 186 . 1 1 21 21 PHE HD2 H 1 7.390 0.030 . 1 . . . . 21 PHE HD2 . 11173 1 187 . 1 1 21 21 PHE HE1 H 1 7.283 0.030 . 1 . . . . 21 PHE HE1 . 11173 1 188 . 1 1 21 21 PHE HE2 H 1 7.283 0.030 . 1 . . . . 21 PHE HE2 . 11173 1 189 . 1 1 21 21 PHE HZ H 1 7.207 0.030 . 1 . . . . 21 PHE HZ . 11173 1 190 . 1 1 21 21 PHE C C 13 170.850 0.300 . 1 . . . . 21 PHE C . 11173 1 191 . 1 1 21 21 PHE CA C 13 53.787 0.300 . 1 . . . . 21 PHE CA . 11173 1 192 . 1 1 21 21 PHE CB C 13 36.872 0.300 . 1 . . . . 21 PHE CB . 11173 1 193 . 1 1 21 21 PHE CD1 C 13 129.107 0.300 . 1 . . . . 21 PHE CD1 . 11173 1 194 . 1 1 21 21 PHE CD2 C 13 129.107 0.300 . 1 . . . . 21 PHE CD2 . 11173 1 195 . 1 1 21 21 PHE CE1 C 13 129.528 0.300 . 1 . . . . 21 PHE CE1 . 11173 1 196 . 1 1 21 21 PHE CE2 C 13 129.528 0.300 . 1 . . . . 21 PHE CE2 . 11173 1 197 . 1 1 21 21 PHE CZ C 13 127.846 0.300 . 1 . . . . 21 PHE CZ . 11173 1 198 . 1 1 21 21 PHE N N 15 119.476 0.300 . 1 . . . . 21 PHE N . 11173 1 199 . 1 1 22 22 PRO HA H 1 4.478 0.030 . 1 . . . . 22 PRO HA . 11173 1 200 . 1 1 22 22 PRO HB2 H 1 2.488 0.030 . 2 . . . . 22 PRO HB2 . 11173 1 201 . 1 1 22 22 PRO HB3 H 1 1.862 0.030 . 2 . . . . 22 PRO HB3 . 11173 1 202 . 1 1 22 22 PRO HD2 H 1 3.613 0.030 . 2 . . . . 22 PRO HD2 . 11173 1 203 . 1 1 22 22 PRO HD3 H 1 4.257 0.030 . 2 . . . . 22 PRO HD3 . 11173 1 204 . 1 1 22 22 PRO HG2 H 1 2.071 0.030 . 2 . . . . 22 PRO HG2 . 11173 1 205 . 1 1 22 22 PRO HG3 H 1 2.244 0.030 . 2 . . . . 22 PRO HG3 . 11173 1 206 . 1 1 22 22 PRO C C 13 176.884 0.300 . 1 . . . . 22 PRO C . 11173 1 207 . 1 1 22 22 PRO CA C 13 60.427 0.300 . 1 . . . . 22 PRO CA . 11173 1 208 . 1 1 22 22 PRO CB C 13 29.886 0.300 . 1 . . . . 22 PRO CB . 11173 1 209 . 1 1 22 22 PRO CD C 13 48.245 0.300 . 1 . . . . 22 PRO CD . 11173 1 210 . 1 1 22 22 PRO CG C 13 25.683 0.300 . 1 . . . . 22 PRO CG . 11173 1 211 . 1 1 23 23 MET H H 1 9.145 0.030 . 1 . . . . 23 MET H . 11173 1 212 . 1 1 23 23 MET HA H 1 3.908 0.030 . 1 . . . . 23 MET HA . 11173 1 213 . 1 1 23 23 MET HB2 H 1 2.176 0.030 . 2 . . . . 23 MET HB2 . 11173 1 214 . 1 1 23 23 MET HB3 H 1 1.946 0.030 . 2 . . . . 23 MET HB3 . 11173 1 215 . 1 1 23 23 MET HE1 H 1 1.971 0.030 . 1 . . . . 23 MET HE . 11173 1 216 . 1 1 23 23 MET HE2 H 1 1.971 0.030 . 1 . . . . 23 MET HE . 11173 1 217 . 1 1 23 23 MET HE3 H 1 1.971 0.030 . 1 . . . . 23 MET HE . 11173 1 218 . 1 1 23 23 MET HG2 H 1 2.465 0.030 . 2 . . . . 23 MET HG2 . 11173 1 219 . 1 1 23 23 MET HG3 H 1 2.123 0.030 . 2 . . . . 23 MET HG3 . 11173 1 220 . 1 1 23 23 MET C C 13 175.382 0.300 . 1 . . . . 23 MET C . 11173 1 221 . 1 1 23 23 MET CA C 13 57.689 0.300 . 1 . . . . 23 MET CA . 11173 1 222 . 1 1 23 23 MET CB C 13 29.367 0.300 . 1 . . . . 23 MET CB . 11173 1 223 . 1 1 23 23 MET CE C 13 14.879 0.300 . 1 . . . . 23 MET CE . 11173 1 224 . 1 1 23 23 MET CG C 13 29.262 0.300 . 1 . . . . 23 MET CG . 11173 1 225 . 1 1 23 23 MET N N 15 125.335 0.300 . 1 . . . . 23 MET N . 11173 1 226 . 1 1 24 24 ASP H H 1 9.034 0.030 . 1 . . . . 24 ASP H . 11173 1 227 . 1 1 24 24 ASP HA H 1 4.207 0.030 . 1 . . . . 24 ASP HA . 11173 1 228 . 1 1 24 24 ASP HB2 H 1 2.234 0.030 . 2 . . . . 24 ASP HB2 . 11173 1 229 . 1 1 24 24 ASP HB3 H 1 2.325 0.030 . 2 . . . . 24 ASP HB3 . 11173 1 230 . 1 1 24 24 ASP C C 13 176.714 0.300 . 1 . . . . 24 ASP C . 11173 1 231 . 1 1 24 24 ASP CA C 13 56.281 0.300 . 1 . . . . 24 ASP CA . 11173 1 232 . 1 1 24 24 ASP CB C 13 38.509 0.300 . 1 . . . . 24 ASP CB . 11173 1 233 . 1 1 24 24 ASP N N 15 116.046 0.300 . 1 . . . . 24 ASP N . 11173 1 234 . 1 1 25 25 ALA H H 1 6.791 0.030 . 1 . . . . 25 ALA H . 11173 1 235 . 1 1 25 25 ALA HA H 1 3.867 0.030 . 1 . . . . 25 ALA HA . 11173 1 236 . 1 1 25 25 ALA HB1 H 1 0.741 0.030 . 1 . . . . 25 ALA HB . 11173 1 237 . 1 1 25 25 ALA HB2 H 1 0.741 0.030 . 1 . . . . 25 ALA HB . 11173 1 238 . 1 1 25 25 ALA HB3 H 1 0.741 0.030 . 1 . . . . 25 ALA HB . 11173 1 239 . 1 1 25 25 ALA C C 13 176.375 0.300 . 1 . . . . 25 ALA C . 11173 1 240 . 1 1 25 25 ALA CA C 13 52.504 0.300 . 1 . . . . 25 ALA CA . 11173 1 241 . 1 1 25 25 ALA CB C 13 15.827 0.300 . 1 . . . . 25 ALA CB . 11173 1 242 . 1 1 25 25 ALA N N 15 119.320 0.300 . 1 . . . . 25 ALA N . 11173 1 243 . 1 1 26 26 CYS H H 1 7.500 0.030 . 1 . . . . 26 CYS H . 11173 1 244 . 1 1 26 26 CYS HA H 1 3.676 0.030 . 1 . . . . 26 CYS HA . 11173 1 245 . 1 1 26 26 CYS HB2 H 1 3.129 0.030 . 2 . . . . 26 CYS HB2 . 11173 1 246 . 1 1 26 26 CYS HB3 H 1 2.443 0.030 . 2 . . . . 26 CYS HB3 . 11173 1 247 . 1 1 26 26 CYS C C 13 173.879 0.300 . 1 . . . . 26 CYS C . 11173 1 248 . 1 1 26 26 CYS CA C 13 61.163 0.300 . 1 . . . . 26 CYS CA . 11173 1 249 . 1 1 26 26 CYS CB C 13 25.062 0.300 . 1 . . . . 26 CYS CB . 11173 1 250 . 1 1 26 26 CYS N N 15 116.621 0.300 . 1 . . . . 26 CYS N . 11173 1 251 . 1 1 27 27 ARG H H 1 7.983 0.030 . 1 . . . . 27 ARG H . 11173 1 252 . 1 1 27 27 ARG HA H 1 3.544 0.030 . 1 . . . . 27 ARG HA . 11173 1 253 . 1 1 27 27 ARG HB2 H 1 1.603 0.030 . 1 . . . . 27 ARG HB2 . 11173 1 254 . 1 1 27 27 ARG HB3 H 1 1.603 0.030 . 1 . . . . 27 ARG HB3 . 11173 1 255 . 1 1 27 27 ARG HD2 H 1 3.038 0.030 . 2 . . . . 27 ARG HD2 . 11173 1 256 . 1 1 27 27 ARG HD3 H 1 3.092 0.030 . 2 . . . . 27 ARG HD3 . 11173 1 257 . 1 1 27 27 ARG HG2 H 1 1.608 0.030 . 2 . . . . 27 ARG HG2 . 11173 1 258 . 1 1 27 27 ARG HG3 H 1 1.273 0.030 . 2 . . . . 27 ARG HG3 . 11173 1 259 . 1 1 27 27 ARG C C 13 175.842 0.300 . 1 . . . . 27 ARG C . 11173 1 260 . 1 1 27 27 ARG CA C 13 57.755 0.300 . 1 . . . . 27 ARG CA . 11173 1 261 . 1 1 27 27 ARG CB C 13 27.518 0.300 . 1 . . . . 27 ARG CB . 11173 1 262 . 1 1 27 27 ARG CD C 13 40.539 0.300 . 1 . . . . 27 ARG CD . 11173 1 263 . 1 1 27 27 ARG CG C 13 25.895 0.300 . 1 . . . . 27 ARG CG . 11173 1 264 . 1 1 27 27 ARG N N 15 117.036 0.300 . 1 . . . . 27 ARG N . 11173 1 265 . 1 1 28 28 LYS H H 1 7.045 0.030 . 1 . . . . 28 LYS H . 11173 1 266 . 1 1 28 28 LYS HA H 1 3.341 0.030 . 1 . . . . 28 LYS HA . 11173 1 267 . 1 1 28 28 LYS HB2 H 1 1.620 0.030 . 2 . . . . 28 LYS HB2 . 11173 1 268 . 1 1 28 28 LYS HB3 H 1 1.304 0.030 . 2 . . . . 28 LYS HB3 . 11173 1 269 . 1 1 28 28 LYS HD2 H 1 1.728 0.030 . 2 . . . . 28 LYS HD2 . 11173 1 270 . 1 1 28 28 LYS HD3 H 1 1.767 0.030 . 2 . . . . 28 LYS HD3 . 11173 1 271 . 1 1 28 28 LYS HE2 H 1 2.850 0.030 . 2 . . . . 28 LYS HE2 . 11173 1 272 . 1 1 28 28 LYS HE3 H 1 2.954 0.030 . 2 . . . . 28 LYS HE3 . 11173 1 273 . 1 1 28 28 LYS HG2 H 1 1.536 0.030 . 2 . . . . 28 LYS HG2 . 11173 1 274 . 1 1 28 28 LYS HG3 H 1 1.189 0.030 . 2 . . . . 28 LYS HG3 . 11173 1 275 . 1 1 28 28 LYS C C 13 173.637 0.300 . 1 . . . . 28 LYS C . 11173 1 276 . 1 1 28 28 LYS CA C 13 57.859 0.300 . 1 . . . . 28 LYS CA . 11173 1 277 . 1 1 28 28 LYS CB C 13 29.656 0.300 . 1 . . . . 28 LYS CB . 11173 1 278 . 1 1 28 28 LYS CD C 13 27.472 0.300 . 1 . . . . 28 LYS CD . 11173 1 279 . 1 1 28 28 LYS CE C 13 39.769 0.300 . 1 . . . . 28 LYS CE . 11173 1 280 . 1 1 28 28 LYS CG C 13 24.698 0.300 . 1 . . . . 28 LYS CG . 11173 1 281 . 1 1 28 28 LYS N N 15 116.858 0.300 . 1 . . . . 28 LYS N . 11173 1 282 . 1 1 29 29 ALA H H 1 7.840 0.030 . 1 . . . . 29 ALA H . 11173 1 283 . 1 1 29 29 ALA HA H 1 2.948 0.030 . 1 . . . . 29 ALA HA . 11173 1 284 . 1 1 29 29 ALA HB1 H 1 1.583 0.030 . 1 . . . . 29 ALA HB . 11173 1 285 . 1 1 29 29 ALA HB2 H 1 1.583 0.030 . 1 . . . . 29 ALA HB . 11173 1 286 . 1 1 29 29 ALA HB3 H 1 1.583 0.030 . 1 . . . . 29 ALA HB . 11173 1 287 . 1 1 29 29 ALA C C 13 177.611 0.300 . 1 . . . . 29 ALA C . 11173 1 288 . 1 1 29 29 ALA CA C 13 52.431 0.300 . 1 . . . . 29 ALA CA . 11173 1 289 . 1 1 29 29 ALA CB C 13 17.730 0.300 . 1 . . . . 29 ALA CB . 11173 1 290 . 1 1 29 29 ALA N N 15 120.415 0.300 . 1 . . . . 29 ALA N . 11173 1 291 . 1 1 30 30 VAL H H 1 7.263 0.030 . 1 . . . . 30 VAL H . 11173 1 292 . 1 1 30 30 VAL HA H 1 3.467 0.030 . 1 . . . . 30 VAL HA . 11173 1 293 . 1 1 30 30 VAL HB H 1 1.804 0.030 . 1 . . . . 30 VAL HB . 11173 1 294 . 1 1 30 30 VAL HG11 H 1 0.931 0.030 . 1 . . . . 30 VAL HG1 . 11173 1 295 . 1 1 30 30 VAL HG12 H 1 0.931 0.030 . 1 . . . . 30 VAL HG1 . 11173 1 296 . 1 1 30 30 VAL HG13 H 1 0.931 0.030 . 1 . . . . 30 VAL HG1 . 11173 1 297 . 1 1 30 30 VAL HG21 H 1 0.819 0.030 . 1 . . . . 30 VAL HG2 . 11173 1 298 . 1 1 30 30 VAL HG22 H 1 0.819 0.030 . 1 . . . . 30 VAL HG2 . 11173 1 299 . 1 1 30 30 VAL HG23 H 1 0.819 0.030 . 1 . . . . 30 VAL HG2 . 11173 1 300 . 1 1 30 30 VAL C C 13 174.558 0.300 . 1 . . . . 30 VAL C . 11173 1 301 . 1 1 30 30 VAL CA C 13 63.044 0.300 . 1 . . . . 30 VAL CA . 11173 1 302 . 1 1 30 30 VAL CB C 13 29.533 0.300 . 1 . . . . 30 VAL CB . 11173 1 303 . 1 1 30 30 VAL CG1 C 13 21.064 0.300 . 2 . . . . 30 VAL CG1 . 11173 1 304 . 1 1 30 30 VAL CG2 C 13 21.718 0.300 . 2 . . . . 30 VAL CG2 . 11173 1 305 . 1 1 30 30 VAL N N 15 116.057 0.300 . 1 . . . . 30 VAL N . 11173 1 306 . 1 1 31 31 TYR H H 1 7.816 0.030 . 1 . . . . 31 TYR H . 11173 1 307 . 1 1 31 31 TYR HA H 1 3.760 0.030 . 1 . . . . 31 TYR HA . 11173 1 308 . 1 1 31 31 TYR HB2 H 1 2.691 0.030 . 2 . . . . 31 TYR HB2 . 11173 1 309 . 1 1 31 31 TYR HB3 H 1 2.392 0.030 . 2 . . . . 31 TYR HB3 . 11173 1 310 . 1 1 31 31 TYR HD1 H 1 6.071 0.030 . 1 . . . . 31 TYR HD1 . 11173 1 311 . 1 1 31 31 TYR HD2 H 1 6.071 0.030 . 1 . . . . 31 TYR HD2 . 11173 1 312 . 1 1 31 31 TYR HE1 H 1 6.414 0.030 . 1 . . . . 31 TYR HE1 . 11173 1 313 . 1 1 31 31 TYR HE2 H 1 6.414 0.030 . 1 . . . . 31 TYR HE2 . 11173 1 314 . 1 1 31 31 TYR C C 13 177.611 0.300 . 1 . . . . 31 TYR C . 11173 1 315 . 1 1 31 31 TYR CA C 13 59.600 0.300 . 1 . . . . 31 TYR CA . 11173 1 316 . 1 1 31 31 TYR CB C 13 36.231 0.300 . 1 . . . . 31 TYR CB . 11173 1 317 . 1 1 31 31 TYR CD1 C 13 130.481 0.300 . 1 . . . . 31 TYR CD1 . 11173 1 318 . 1 1 31 31 TYR CD2 C 13 130.481 0.300 . 1 . . . . 31 TYR CD2 . 11173 1 319 . 1 1 31 31 TYR CE1 C 13 115.726 0.300 . 1 . . . . 31 TYR CE1 . 11173 1 320 . 1 1 31 31 TYR CE2 C 13 115.726 0.300 . 1 . . . . 31 TYR CE2 . 11173 1 321 . 1 1 31 31 TYR N N 15 120.964 0.300 . 1 . . . . 31 TYR N . 11173 1 322 . 1 1 32 32 TYR H H 1 8.878 0.030 . 1 . . . . 32 TYR H . 11173 1 323 . 1 1 32 32 TYR HA H 1 3.978 0.030 . 1 . . . . 32 TYR HA . 11173 1 324 . 1 1 32 32 TYR HB2 H 1 2.862 0.030 . 2 . . . . 32 TYR HB2 . 11173 1 325 . 1 1 32 32 TYR HB3 H 1 1.778 0.030 . 2 . . . . 32 TYR HB3 . 11173 1 326 . 1 1 32 32 TYR HD1 H 1 6.731 0.030 . 1 . . . . 32 TYR HD1 . 11173 1 327 . 1 1 32 32 TYR HD2 H 1 6.731 0.030 . 1 . . . . 32 TYR HD2 . 11173 1 328 . 1 1 32 32 TYR HE1 H 1 6.717 0.030 . 1 . . . . 32 TYR HE1 . 11173 1 329 . 1 1 32 32 TYR HE2 H 1 6.717 0.030 . 1 . . . . 32 TYR HE2 . 11173 1 330 . 1 1 32 32 TYR C C 13 174.849 0.300 . 1 . . . . 32 TYR C . 11173 1 331 . 1 1 32 32 TYR CA C 13 58.504 0.300 . 1 . . . . 32 TYR CA . 11173 1 332 . 1 1 32 32 TYR CB C 13 34.864 0.300 . 1 . . . . 32 TYR CB . 11173 1 333 . 1 1 32 32 TYR CD1 C 13 131.019 0.300 . 1 . . . . 32 TYR CD1 . 11173 1 334 . 1 1 32 32 TYR CD2 C 13 131.019 0.300 . 1 . . . . 32 TYR CD2 . 11173 1 335 . 1 1 32 32 TYR CE1 C 13 114.881 0.300 . 1 . . . . 32 TYR CE1 . 11173 1 336 . 1 1 32 32 TYR CE2 C 13 114.881 0.300 . 1 . . . . 32 TYR CE2 . 11173 1 337 . 1 1 32 32 TYR N N 15 116.644 0.300 . 1 . . . . 32 TYR N . 11173 1 338 . 1 1 33 33 THR H H 1 6.907 0.030 . 1 . . . . 33 THR H . 11173 1 339 . 1 1 33 33 THR HA H 1 4.432 0.030 . 1 . . . . 33 THR HA . 11173 1 340 . 1 1 33 33 THR HB H 1 4.350 0.030 . 1 . . . . 33 THR HB . 11173 1 341 . 1 1 33 33 THR HG21 H 1 1.224 0.030 . 1 . . . . 33 THR HG2 . 11173 1 342 . 1 1 33 33 THR HG22 H 1 1.224 0.030 . 1 . . . . 33 THR HG2 . 11173 1 343 . 1 1 33 33 THR HG23 H 1 1.224 0.030 . 1 . . . . 33 THR HG2 . 11173 1 344 . 1 1 33 33 THR C C 13 172.910 0.300 . 1 . . . . 33 THR C . 11173 1 345 . 1 1 33 33 THR CA C 13 58.599 0.300 . 1 . . . . 33 THR CA . 11173 1 346 . 1 1 33 33 THR CB C 13 66.749 0.300 . 1 . . . . 33 THR CB . 11173 1 347 . 1 1 33 33 THR CG2 C 13 19.180 0.300 . 1 . . . . 33 THR CG2 . 11173 1 348 . 1 1 33 33 THR N N 15 105.515 0.300 . 1 . . . . 33 THR N . 11173 1 349 . 1 1 34 34 GLY H H 1 7.378 0.030 . 1 . . . . 34 GLY H . 11173 1 350 . 1 1 34 34 GLY HA2 H 1 3.629 0.030 . 1 . . . . 34 GLY HA2 . 11173 1 351 . 1 1 34 34 GLY HA3 H 1 3.629 0.030 . 1 . . . . 34 GLY HA3 . 11173 1 352 . 1 1 34 34 GLY C C 13 172.740 0.300 . 1 . . . . 34 GLY C . 11173 1 353 . 1 1 34 34 GLY CA C 13 44.669 0.300 . 1 . . . . 34 GLY CA . 11173 1 354 . 1 1 34 34 GLY N N 15 110.309 0.300 . 1 . . . . 34 GLY N . 11173 1 355 . 1 1 35 35 ASN H H 1 8.687 0.030 . 1 . . . . 35 ASN H . 11173 1 356 . 1 1 35 35 ASN HA H 1 4.257 0.030 . 1 . . . . 35 ASN HA . 11173 1 357 . 1 1 35 35 ASN HB2 H 1 3.164 0.030 . 2 . . . . 35 ASN HB2 . 11173 1 358 . 1 1 35 35 ASN HB3 H 1 2.234 0.030 . 2 . . . . 35 ASN HB3 . 11173 1 359 . 1 1 35 35 ASN HD21 H 1 6.633 0.030 . 2 . . . . 35 ASN HD21 . 11173 1 360 . 1 1 35 35 ASN HD22 H 1 7.395 0.030 . 2 . . . . 35 ASN HD22 . 11173 1 361 . 1 1 35 35 ASN C C 13 172.959 0.300 . 1 . . . . 35 ASN C . 11173 1 362 . 1 1 35 35 ASN CA C 13 51.534 0.300 . 1 . . . . 35 ASN CA . 11173 1 363 . 1 1 35 35 ASN CB C 13 35.411 0.300 . 1 . . . . 35 ASN CB . 11173 1 364 . 1 1 35 35 ASN N N 15 117.621 0.300 . 1 . . . . 35 ASN N . 11173 1 365 . 1 1 35 35 ASN ND2 N 15 111.939 0.300 . 1 . . . . 35 ASN ND2 . 11173 1 366 . 1 1 36 36 SER H H 1 8.550 0.030 . 1 . . . . 36 SER H . 11173 1 367 . 1 1 36 36 SER HA H 1 4.513 0.030 . 1 . . . . 36 SER HA . 11173 1 368 . 1 1 36 36 SER HB2 H 1 3.885 0.030 . 2 . . . . 36 SER HB2 . 11173 1 369 . 1 1 36 36 SER HB3 H 1 3.699 0.030 . 2 . . . . 36 SER HB3 . 11173 1 370 . 1 1 36 36 SER C C 13 172.934 0.300 . 1 . . . . 36 SER C . 11173 1 371 . 1 1 36 36 SER CA C 13 55.408 0.300 . 1 . . . . 36 SER CA . 11173 1 372 . 1 1 36 36 SER CB C 13 62.103 0.300 . 1 . . . . 36 SER CB . 11173 1 373 . 1 1 36 36 SER N N 15 113.778 0.300 . 1 . . . . 36 SER N . 11173 1 374 . 1 1 37 37 GLY H H 1 8.537 0.030 . 1 . . . . 37 GLY H . 11173 1 375 . 1 1 37 37 GLY HA2 H 1 4.606 0.030 . 2 . . . . 37 GLY HA2 . 11173 1 376 . 1 1 37 37 GLY HA3 H 1 3.664 0.030 . 2 . . . . 37 GLY HA3 . 11173 1 377 . 1 1 37 37 GLY C C 13 172.377 0.300 . 1 . . . . 37 GLY C . 11173 1 378 . 1 1 37 37 GLY CA C 13 41.998 0.300 . 1 . . . . 37 GLY CA . 11173 1 379 . 1 1 37 37 GLY N N 15 110.688 0.300 . 1 . . . . 37 GLY N . 11173 1 380 . 1 1 38 38 ALA H H 1 8.844 0.030 . 1 . . . . 38 ALA H . 11173 1 381 . 1 1 38 38 ALA HA H 1 3.763 0.030 . 1 . . . . 38 ALA HA . 11173 1 382 . 1 1 38 38 ALA HB1 H 1 1.315 0.030 . 1 . . . . 38 ALA HB . 11173 1 383 . 1 1 38 38 ALA HB2 H 1 1.315 0.030 . 1 . . . . 38 ALA HB . 11173 1 384 . 1 1 38 38 ALA HB3 H 1 1.315 0.030 . 1 . . . . 38 ALA HB . 11173 1 385 . 1 1 38 38 ALA C C 13 176.545 0.300 . 1 . . . . 38 ALA C . 11173 1 386 . 1 1 38 38 ALA CA C 13 53.114 0.300 . 1 . . . . 38 ALA CA . 11173 1 387 . 1 1 38 38 ALA CB C 13 16.231 0.300 . 1 . . . . 38 ALA CB . 11173 1 388 . 1 1 38 38 ALA N N 15 120.734 0.300 . 1 . . . . 38 ALA N . 11173 1 389 . 1 1 39 39 GLU H H 1 8.566 0.030 . 1 . . . . 39 GLU H . 11173 1 390 . 1 1 39 39 GLU HA H 1 3.862 0.030 . 1 . . . . 39 GLU HA . 11173 1 391 . 1 1 39 39 GLU HB2 H 1 1.896 0.030 . 2 . . . . 39 GLU HB2 . 11173 1 392 . 1 1 39 39 GLU HB3 H 1 1.982 0.030 . 2 . . . . 39 GLU HB3 . 11173 1 393 . 1 1 39 39 GLU HG2 H 1 2.211 0.030 . 1 . . . . 39 GLU HG2 . 11173 1 394 . 1 1 39 39 GLU HG3 H 1 2.211 0.030 . 1 . . . . 39 GLU HG3 . 11173 1 395 . 1 1 39 39 GLU C C 13 176.775 0.300 . 1 . . . . 39 GLU C . 11173 1 396 . 1 1 39 39 GLU CA C 13 58.123 0.300 . 1 . . . . 39 GLU CA . 11173 1 397 . 1 1 39 39 GLU CB C 13 26.366 0.300 . 1 . . . . 39 GLU CB . 11173 1 398 . 1 1 39 39 GLU CG C 13 34.263 0.300 . 1 . . . . 39 GLU CG . 11173 1 399 . 1 1 39 39 GLU N N 15 118.961 0.300 . 1 . . . . 39 GLU N . 11173 1 400 . 1 1 40 40 ALA H H 1 8.424 0.030 . 1 . . . . 40 ALA H . 11173 1 401 . 1 1 40 40 ALA HA H 1 4.095 0.030 . 1 . . . . 40 ALA HA . 11173 1 402 . 1 1 40 40 ALA HB1 H 1 1.327 0.030 . 1 . . . . 40 ALA HB . 11173 1 403 . 1 1 40 40 ALA HB2 H 1 1.327 0.030 . 1 . . . . 40 ALA HB . 11173 1 404 . 1 1 40 40 ALA HB3 H 1 1.327 0.030 . 1 . . . . 40 ALA HB . 11173 1 405 . 1 1 40 40 ALA C C 13 178.847 0.300 . 1 . . . . 40 ALA C . 11173 1 406 . 1 1 40 40 ALA CA C 13 52.427 0.300 . 1 . . . . 40 ALA CA . 11173 1 407 . 1 1 40 40 ALA CB C 13 16.168 0.300 . 1 . . . . 40 ALA CB . 11173 1 408 . 1 1 40 40 ALA N N 15 120.828 0.300 . 1 . . . . 40 ALA N . 11173 1 409 . 1 1 41 41 ALA H H 1 7.338 0.030 . 1 . . . . 41 ALA H . 11173 1 410 . 1 1 41 41 ALA HA H 1 4.030 0.030 . 1 . . . . 41 ALA HA . 11173 1 411 . 1 1 41 41 ALA HB1 H 1 1.225 0.030 . 1 . . . . 41 ALA HB . 11173 1 412 . 1 1 41 41 ALA HB2 H 1 1.225 0.030 . 1 . . . . 41 ALA HB . 11173 1 413 . 1 1 41 41 ALA HB3 H 1 1.225 0.030 . 1 . . . . 41 ALA HB . 11173 1 414 . 1 1 41 41 ALA C C 13 176.908 0.300 . 1 . . . . 41 ALA C . 11173 1 415 . 1 1 41 41 ALA CA C 13 52.751 0.300 . 1 . . . . 41 ALA CA . 11173 1 416 . 1 1 41 41 ALA CB C 13 16.711 0.300 . 1 . . . . 41 ALA CB . 11173 1 417 . 1 1 41 41 ALA N N 15 119.739 0.300 . 1 . . . . 41 ALA N . 11173 1 418 . 1 1 42 42 MET H H 1 8.841 0.030 . 1 . . . . 42 MET H . 11173 1 419 . 1 1 42 42 MET HA H 1 4.035 0.030 . 1 . . . . 42 MET HA . 11173 1 420 . 1 1 42 42 MET HB2 H 1 2.120 0.030 . 1 . . . . 42 MET HB2 . 11173 1 421 . 1 1 42 42 MET HB3 H 1 2.120 0.030 . 1 . . . . 42 MET HB3 . 11173 1 422 . 1 1 42 42 MET HG2 H 1 2.491 0.030 . 1 . . . . 42 MET HG2 . 11173 1 423 . 1 1 42 42 MET HG3 H 1 2.491 0.030 . 1 . . . . 42 MET HG3 . 11173 1 424 . 1 1 42 42 MET C C 13 175.769 0.300 . 1 . . . . 42 MET C . 11173 1 425 . 1 1 42 42 MET CA C 13 55.502 0.300 . 1 . . . . 42 MET CA . 11173 1 426 . 1 1 42 42 MET CB C 13 29.409 0.300 . 1 . . . . 42 MET CB . 11173 1 427 . 1 1 42 42 MET CG C 13 30.043 0.300 . 1 . . . . 42 MET CG . 11173 1 428 . 1 1 42 42 MET N N 15 118.705 0.300 . 1 . . . . 42 MET N . 11173 1 429 . 1 1 43 43 ASN H H 1 7.860 0.030 . 1 . . . . 43 ASN H . 11173 1 430 . 1 1 43 43 ASN HA H 1 4.372 0.030 . 1 . . . . 43 ASN HA . 11173 1 431 . 1 1 43 43 ASN HB2 H 1 2.785 0.030 . 2 . . . . 43 ASN HB2 . 11173 1 432 . 1 1 43 43 ASN HB3 H 1 2.858 0.030 . 2 . . . . 43 ASN HB3 . 11173 1 433 . 1 1 43 43 ASN HD21 H 1 6.944 0.030 . 2 . . . . 43 ASN HD21 . 11173 1 434 . 1 1 43 43 ASN HD22 H 1 7.548 0.030 . 2 . . . . 43 ASN HD22 . 11173 1 435 . 1 1 43 43 ASN C C 13 175.673 0.300 . 1 . . . . 43 ASN C . 11173 1 436 . 1 1 43 43 ASN CA C 13 54.097 0.300 . 1 . . . . 43 ASN CA . 11173 1 437 . 1 1 43 43 ASN CB C 13 35.781 0.300 . 1 . . . . 43 ASN CB . 11173 1 438 . 1 1 43 43 ASN N N 15 116.968 0.300 . 1 . . . . 43 ASN N . 11173 1 439 . 1 1 43 43 ASN ND2 N 15 112.485 0.300 . 1 . . . . 43 ASN ND2 . 11173 1 440 . 1 1 44 44 TRP H H 1 7.790 0.030 . 1 . . . . 44 TRP H . 11173 1 441 . 1 1 44 44 TRP HA H 1 4.089 0.030 . 1 . . . . 44 TRP HA . 11173 1 442 . 1 1 44 44 TRP HB2 H 1 3.668 0.030 . 2 . . . . 44 TRP HB2 . 11173 1 443 . 1 1 44 44 TRP HB3 H 1 3.164 0.030 . 2 . . . . 44 TRP HB3 . 11173 1 444 . 1 1 44 44 TRP HD1 H 1 7.120 0.030 . 1 . . . . 44 TRP HD1 . 11173 1 445 . 1 1 44 44 TRP HE1 H 1 9.674 0.030 . 1 . . . . 44 TRP HE1 . 11173 1 446 . 1 1 44 44 TRP HE3 H 1 7.211 0.030 . 1 . . . . 44 TRP HE3 . 11173 1 447 . 1 1 44 44 TRP HH2 H 1 6.958 0.030 . 1 . . . . 44 TRP HH2 . 11173 1 448 . 1 1 44 44 TRP HZ2 H 1 6.712 0.030 . 1 . . . . 44 TRP HZ2 . 11173 1 449 . 1 1 44 44 TRP HZ3 H 1 6.897 0.030 . 1 . . . . 44 TRP HZ3 . 11173 1 450 . 1 1 44 44 TRP C C 13 177.029 0.300 . 1 . . . . 44 TRP C . 11173 1 451 . 1 1 44 44 TRP CA C 13 60.745 0.300 . 1 . . . . 44 TRP CA . 11173 1 452 . 1 1 44 44 TRP CB C 13 27.706 0.300 . 1 . . . . 44 TRP CB . 11173 1 453 . 1 1 44 44 TRP CD1 C 13 124.644 0.300 . 1 . . . . 44 TRP CD1 . 11173 1 454 . 1 1 44 44 TRP CE3 C 13 117.641 0.300 . 1 . . . . 44 TRP CE3 . 11173 1 455 . 1 1 44 44 TRP CH2 C 13 121.392 0.300 . 1 . . . . 44 TRP CH2 . 11173 1 456 . 1 1 44 44 TRP CZ2 C 13 112.421 0.300 . 1 . . . . 44 TRP CZ2 . 11173 1 457 . 1 1 44 44 TRP CZ3 C 13 118.838 0.300 . 1 . . . . 44 TRP CZ3 . 11173 1 458 . 1 1 44 44 TRP N N 15 121.911 0.300 . 1 . . . . 44 TRP N . 11173 1 459 . 1 1 44 44 TRP NE1 N 15 130.181 0.300 . 1 . . . . 44 TRP NE1 . 11173 1 460 . 1 1 45 45 VAL H H 1 8.478 0.030 . 1 . . . . 45 VAL H . 11173 1 461 . 1 1 45 45 VAL HA H 1 3.553 0.030 . 1 . . . . 45 VAL HA . 11173 1 462 . 1 1 45 45 VAL HB H 1 2.043 0.030 . 1 . . . . 45 VAL HB . 11173 1 463 . 1 1 45 45 VAL HG11 H 1 0.262 0.030 . 1 . . . . 45 VAL HG1 . 11173 1 464 . 1 1 45 45 VAL HG12 H 1 0.262 0.030 . 1 . . . . 45 VAL HG1 . 11173 1 465 . 1 1 45 45 VAL HG13 H 1 0.262 0.030 . 1 . . . . 45 VAL HG1 . 11173 1 466 . 1 1 45 45 VAL HG21 H 1 0.902 0.030 . 1 . . . . 45 VAL HG2 . 11173 1 467 . 1 1 45 45 VAL HG22 H 1 0.902 0.030 . 1 . . . . 45 VAL HG2 . 11173 1 468 . 1 1 45 45 VAL HG23 H 1 0.902 0.030 . 1 . . . . 45 VAL HG2 . 11173 1 469 . 1 1 45 45 VAL C C 13 175.188 0.300 . 1 . . . . 45 VAL C . 11173 1 470 . 1 1 45 45 VAL CA C 13 65.666 0.300 . 1 . . . . 45 VAL CA . 11173 1 471 . 1 1 45 45 VAL CB C 13 29.081 0.300 . 1 . . . . 45 VAL CB . 11173 1 472 . 1 1 45 45 VAL CG1 C 13 18.880 0.300 . 2 . . . . 45 VAL CG1 . 11173 1 473 . 1 1 45 45 VAL CG2 C 13 20.774 0.300 . 2 . . . . 45 VAL CG2 . 11173 1 474 . 1 1 45 45 VAL N N 15 119.255 0.300 . 1 . . . . 45 VAL N . 11173 1 475 . 1 1 46 46 MET H H 1 8.133 0.030 . 1 . . . . 46 MET H . 11173 1 476 . 1 1 46 46 MET HA H 1 4.105 0.030 . 1 . . . . 46 MET HA . 11173 1 477 . 1 1 46 46 MET HB2 H 1 1.990 0.030 . 2 . . . . 46 MET HB2 . 11173 1 478 . 1 1 46 46 MET HB3 H 1 2.031 0.030 . 2 . . . . 46 MET HB3 . 11173 1 479 . 1 1 46 46 MET HE1 H 1 2.029 0.030 . 1 . . . . 46 MET HE . 11173 1 480 . 1 1 46 46 MET HE2 H 1 2.029 0.030 . 1 . . . . 46 MET HE . 11173 1 481 . 1 1 46 46 MET HE3 H 1 2.029 0.030 . 1 . . . . 46 MET HE . 11173 1 482 . 1 1 46 46 MET HG2 H 1 2.594 0.030 . 2 . . . . 46 MET HG2 . 11173 1 483 . 1 1 46 46 MET HG3 H 1 2.722 0.030 . 2 . . . . 46 MET HG3 . 11173 1 484 . 1 1 46 46 MET C C 13 176.399 0.300 . 1 . . . . 46 MET C . 11173 1 485 . 1 1 46 46 MET CA C 13 55.354 0.300 . 1 . . . . 46 MET CA . 11173 1 486 . 1 1 46 46 MET CB C 13 29.245 0.300 . 1 . . . . 46 MET CB . 11173 1 487 . 1 1 46 46 MET CE C 13 14.678 0.300 . 1 . . . . 46 MET CE . 11173 1 488 . 1 1 46 46 MET CG C 13 29.957 0.300 . 1 . . . . 46 MET CG . 11173 1 489 . 1 1 46 46 MET N N 15 114.488 0.300 . 1 . . . . 46 MET N . 11173 1 490 . 1 1 47 47 SER H H 1 7.405 0.030 . 1 . . . . 47 SER H . 11173 1 491 . 1 1 47 47 SER HA H 1 4.122 0.030 . 1 . . . . 47 SER HA . 11173 1 492 . 1 1 47 47 SER HB2 H 1 3.385 0.030 . 2 . . . . 47 SER HB2 . 11173 1 493 . 1 1 47 47 SER HB3 H 1 3.554 0.030 . 2 . . . . 47 SER HB3 . 11173 1 494 . 1 1 47 47 SER C C 13 172.765 0.300 . 1 . . . . 47 SER C . 11173 1 495 . 1 1 47 47 SER CA C 13 57.535 0.300 . 1 . . . . 47 SER CA . 11173 1 496 . 1 1 47 47 SER CB C 13 61.502 0.300 . 1 . . . . 47 SER CB . 11173 1 497 . 1 1 47 47 SER N N 15 111.320 0.300 . 1 . . . . 47 SER N . 11173 1 498 . 1 1 48 48 HIS H H 1 7.369 0.030 . 1 . . . . 48 HIS H . 11173 1 499 . 1 1 48 48 HIS HA H 1 4.177 0.030 . 1 . . . . 48 HIS HA . 11173 1 500 . 1 1 48 48 HIS HB2 H 1 2.782 0.030 . 2 . . . . 48 HIS HB2 . 11173 1 501 . 1 1 48 48 HIS HB3 H 1 1.420 0.030 . 2 . . . . 48 HIS HB3 . 11173 1 502 . 1 1 48 48 HIS HD2 H 1 5.963 0.030 . 1 . . . . 48 HIS HD2 . 11173 1 503 . 1 1 48 48 HIS HE1 H 1 7.962 0.030 . 1 . . . . 48 HIS HE1 . 11173 1 504 . 1 1 48 48 HIS C C 13 172.280 0.300 . 1 . . . . 48 HIS C . 11173 1 505 . 1 1 48 48 HIS CA C 13 54.403 0.300 . 1 . . . . 48 HIS CA . 11173 1 506 . 1 1 48 48 HIS CB C 13 25.918 0.300 . 1 . . . . 48 HIS CB . 11173 1 507 . 1 1 48 48 HIS CD2 C 13 117.282 0.300 . 1 . . . . 48 HIS CD2 . 11173 1 508 . 1 1 48 48 HIS CE1 C 13 132.485 0.300 . 1 . . . . 48 HIS CE1 . 11173 1 509 . 1 1 48 48 HIS N N 15 116.112 0.300 . 1 . . . . 48 HIS N . 11173 1 510 . 1 1 49 49 MET H H 1 7.217 0.030 . 1 . . . . 49 MET H . 11173 1 511 . 1 1 49 49 MET HA H 1 2.108 0.030 . 1 . . . . 49 MET HA . 11173 1 512 . 1 1 49 49 MET HB2 H 1 1.652 0.030 . 1 . . . . 49 MET HB2 . 11173 1 513 . 1 1 49 49 MET HB3 H 1 1.652 0.030 . 1 . . . . 49 MET HB3 . 11173 1 514 . 1 1 49 49 MET HG2 H 1 2.134 0.030 . 2 . . . . 49 MET HG2 . 11173 1 515 . 1 1 49 49 MET HG3 H 1 2.261 0.030 . 2 . . . . 49 MET HG3 . 11173 1 516 . 1 1 49 49 MET C C 13 173.007 0.300 . 1 . . . . 49 MET C . 11173 1 517 . 1 1 49 49 MET CA C 13 55.495 0.300 . 1 . . . . 49 MET CA . 11173 1 518 . 1 1 49 49 MET CB C 13 29.765 0.300 . 1 . . . . 49 MET CB . 11173 1 519 . 1 1 49 49 MET CG C 13 28.318 0.300 . 1 . . . . 49 MET CG . 11173 1 520 . 1 1 49 49 MET N N 15 118.775 0.300 . 1 . . . . 49 MET N . 11173 1 521 . 1 1 50 50 ASP H H 1 7.870 0.030 . 1 . . . . 50 ASP H . 11173 1 522 . 1 1 50 50 ASP HA H 1 4.606 0.030 . 1 . . . . 50 ASP HA . 11173 1 523 . 1 1 50 50 ASP HB2 H 1 2.633 0.030 . 2 . . . . 50 ASP HB2 . 11173 1 524 . 1 1 50 50 ASP HB3 H 1 2.345 0.030 . 2 . . . . 50 ASP HB3 . 11173 1 525 . 1 1 50 50 ASP C C 13 173.758 0.300 . 1 . . . . 50 ASP C . 11173 1 526 . 1 1 50 50 ASP CA C 13 51.440 0.300 . 1 . . . . 50 ASP CA . 11173 1 527 . 1 1 50 50 ASP CB C 13 38.444 0.300 . 1 . . . . 50 ASP CB . 11173 1 528 . 1 1 50 50 ASP N N 15 116.781 0.300 . 1 . . . . 50 ASP N . 11173 1 529 . 1 1 51 51 ASP H H 1 7.917 0.030 . 1 . . . . 51 ASP H . 11173 1 530 . 1 1 51 51 ASP HA H 1 4.606 0.030 . 1 . . . . 51 ASP HA . 11173 1 531 . 1 1 51 51 ASP HB2 H 1 2.814 0.030 . 2 . . . . 51 ASP HB2 . 11173 1 532 . 1 1 51 51 ASP HB3 H 1 2.865 0.030 . 2 . . . . 51 ASP HB3 . 11173 1 533 . 1 1 51 51 ASP C C 13 174.606 0.300 . 1 . . . . 51 ASP C . 11173 1 534 . 1 1 51 51 ASP CA C 13 50.804 0.300 . 1 . . . . 51 ASP CA . 11173 1 535 . 1 1 51 51 ASP CB C 13 37.470 0.300 . 1 . . . . 51 ASP CB . 11173 1 536 . 1 1 51 51 ASP N N 15 123.728 0.300 . 1 . . . . 51 ASP N . 11173 1 537 . 1 1 52 52 PRO HA H 1 4.330 0.030 . 1 . . . . 52 PRO HA . 11173 1 538 . 1 1 52 52 PRO HB2 H 1 2.326 0.030 . 2 . . . . 52 PRO HB2 . 11173 1 539 . 1 1 52 52 PRO HB3 H 1 1.908 0.030 . 2 . . . . 52 PRO HB3 . 11173 1 540 . 1 1 52 52 PRO HD2 H 1 3.776 0.030 . 2 . . . . 52 PRO HD2 . 11173 1 541 . 1 1 52 52 PRO HD3 H 1 3.879 0.030 . 2 . . . . 52 PRO HD3 . 11173 1 542 . 1 1 52 52 PRO HG2 H 1 2.010 0.030 . 1 . . . . 52 PRO HG2 . 11173 1 543 . 1 1 52 52 PRO HG3 H 1 2.010 0.030 . 1 . . . . 52 PRO HG3 . 11173 1 544 . 1 1 52 52 PRO C C 13 174.921 0.300 . 1 . . . . 52 PRO C . 11173 1 545 . 1 1 52 52 PRO CA C 13 62.651 0.300 . 1 . . . . 52 PRO CA . 11173 1 546 . 1 1 52 52 PRO CB C 13 29.409 0.300 . 1 . . . . 52 PRO CB . 11173 1 547 . 1 1 52 52 PRO CD C 13 48.367 0.300 . 1 . . . . 52 PRO CD . 11173 1 548 . 1 1 52 52 PRO CG C 13 25.298 0.300 . 1 . . . . 52 PRO CG . 11173 1 549 . 1 1 53 53 ASP H H 1 8.302 0.030 . 1 . . . . 53 ASP H . 11173 1 550 . 1 1 53 53 ASP HA H 1 4.606 0.030 . 1 . . . . 53 ASP HA . 11173 1 551 . 1 1 53 53 ASP HB2 H 1 2.501 0.030 . 2 . . . . 53 ASP HB2 . 11173 1 552 . 1 1 53 53 ASP HB3 H 1 2.827 0.030 . 2 . . . . 53 ASP HB3 . 11173 1 553 . 1 1 53 53 ASP C C 13 174.727 0.300 . 1 . . . . 53 ASP C . 11173 1 554 . 1 1 53 53 ASP CA C 13 50.640 0.300 . 1 . . . . 53 ASP CA . 11173 1 555 . 1 1 53 53 ASP CB C 13 38.062 0.300 . 1 . . . . 53 ASP CB . 11173 1 556 . 1 1 53 53 ASP N N 15 114.591 0.300 . 1 . . . . 53 ASP N . 11173 1 557 . 1 1 54 54 PHE H H 1 7.645 0.030 . 1 . . . . 54 PHE H . 11173 1 558 . 1 1 54 54 PHE HA H 1 4.388 0.030 . 1 . . . . 54 PHE HA . 11173 1 559 . 1 1 54 54 PHE HB2 H 1 3.622 0.030 . 2 . . . . 54 PHE HB2 . 11173 1 560 . 1 1 54 54 PHE HB3 H 1 2.900 0.030 . 2 . . . . 54 PHE HB3 . 11173 1 561 . 1 1 54 54 PHE HD1 H 1 7.174 0.030 . 1 . . . . 54 PHE HD1 . 11173 1 562 . 1 1 54 54 PHE HD2 H 1 7.174 0.030 . 1 . . . . 54 PHE HD2 . 11173 1 563 . 1 1 54 54 PHE HE1 H 1 7.301 0.030 . 1 . . . . 54 PHE HE1 . 11173 1 564 . 1 1 54 54 PHE HE2 H 1 7.301 0.030 . 1 . . . . 54 PHE HE2 . 11173 1 565 . 1 1 54 54 PHE HZ H 1 7.018 0.030 . 1 . . . . 54 PHE HZ . 11173 1 566 . 1 1 54 54 PHE C C 13 173.661 0.300 . 1 . . . . 54 PHE C . 11173 1 567 . 1 1 54 54 PHE CA C 13 58.541 0.300 . 1 . . . . 54 PHE CA . 11173 1 568 . 1 1 54 54 PHE CB C 13 38.127 0.300 . 1 . . . . 54 PHE CB . 11173 1 569 . 1 1 54 54 PHE CD1 C 13 130.756 0.300 . 1 . . . . 54 PHE CD1 . 11173 1 570 . 1 1 54 54 PHE CD2 C 13 130.756 0.300 . 1 . . . . 54 PHE CD2 . 11173 1 571 . 1 1 54 54 PHE CE1 C 13 128.299 0.300 . 1 . . . . 54 PHE CE1 . 11173 1 572 . 1 1 54 54 PHE CE2 C 13 128.299 0.300 . 1 . . . . 54 PHE CE2 . 11173 1 573 . 1 1 54 54 PHE CZ C 13 126.844 0.300 . 1 . . . . 54 PHE CZ . 11173 1 574 . 1 1 54 54 PHE N N 15 121.450 0.300 . 1 . . . . 54 PHE N . 11173 1 575 . 1 1 55 55 ALA H H 1 8.398 0.030 . 1 . . . . 55 ALA H . 11173 1 576 . 1 1 55 55 ALA HA H 1 3.975 0.030 . 1 . . . . 55 ALA HA . 11173 1 577 . 1 1 55 55 ALA HB1 H 1 1.362 0.030 . 1 . . . . 55 ALA HB . 11173 1 578 . 1 1 55 55 ALA HB2 H 1 1.362 0.030 . 1 . . . . 55 ALA HB . 11173 1 579 . 1 1 55 55 ALA HB3 H 1 1.362 0.030 . 1 . . . . 55 ALA HB . 11173 1 580 . 1 1 55 55 ALA C C 13 174.219 0.300 . 1 . . . . 55 ALA C . 11173 1 581 . 1 1 55 55 ALA CA C 13 49.208 0.300 . 1 . . . . 55 ALA CA . 11173 1 582 . 1 1 55 55 ALA CB C 13 16.661 0.300 . 1 . . . . 55 ALA CB . 11173 1 583 . 1 1 55 55 ALA N N 15 116.543 0.300 . 1 . . . . 55 ALA N . 11173 1 584 . 1 1 56 56 ASN H H 1 7.433 0.030 . 1 . . . . 56 ASN H . 11173 1 585 . 1 1 56 56 ASN HA H 1 4.671 0.030 . 1 . . . . 56 ASN HA . 11173 1 586 . 1 1 56 56 ASN HB2 H 1 2.731 0.030 . 2 . . . . 56 ASN HB2 . 11173 1 587 . 1 1 56 56 ASN HB3 H 1 2.797 0.030 . 2 . . . . 56 ASN HB3 . 11173 1 588 . 1 1 56 56 ASN HD21 H 1 6.955 0.030 . 2 . . . . 56 ASN HD21 . 11173 1 589 . 1 1 56 56 ASN HD22 H 1 7.695 0.030 . 2 . . . . 56 ASN HD22 . 11173 1 590 . 1 1 56 56 ASN C C 13 171.238 0.300 . 1 . . . . 56 ASN C . 11173 1 591 . 1 1 56 56 ASN CA C 13 49.318 0.300 . 1 . . . . 56 ASN CA . 11173 1 592 . 1 1 56 56 ASN CB C 13 34.673 0.300 . 1 . . . . 56 ASN CB . 11173 1 593 . 1 1 56 56 ASN N N 15 118.057 0.300 . 1 . . . . 56 ASN N . 11173 1 594 . 1 1 56 56 ASN ND2 N 15 111.257 0.300 . 1 . . . . 56 ASN ND2 . 11173 1 595 . 1 1 57 57 PRO HA H 1 4.097 0.030 . 1 . . . . 57 PRO HA . 11173 1 596 . 1 1 57 57 PRO HB2 H 1 2.085 0.030 . 2 . . . . 57 PRO HB2 . 11173 1 597 . 1 1 57 57 PRO HB3 H 1 1.592 0.030 . 2 . . . . 57 PRO HB3 . 11173 1 598 . 1 1 57 57 PRO HD2 H 1 3.493 0.030 . 2 . . . . 57 PRO HD2 . 11173 1 599 . 1 1 57 57 PRO HD3 H 1 3.753 0.030 . 2 . . . . 57 PRO HD3 . 11173 1 600 . 1 1 57 57 PRO HG2 H 1 1.862 0.030 . 1 . . . . 57 PRO HG2 . 11173 1 601 . 1 1 57 57 PRO HG3 H 1 1.862 0.030 . 1 . . . . 57 PRO HG3 . 11173 1 602 . 1 1 57 57 PRO C C 13 174.291 0.300 . 1 . . . . 57 PRO C . 11173 1 603 . 1 1 57 57 PRO CA C 13 60.710 0.300 . 1 . . . . 57 PRO CA . 11173 1 604 . 1 1 57 57 PRO CB C 13 30.043 0.300 . 1 . . . . 57 PRO CB . 11173 1 605 . 1 1 57 57 PRO CD C 13 48.058 0.300 . 1 . . . . 57 PRO CD . 11173 1 606 . 1 1 57 57 PRO CG C 13 24.969 0.300 . 1 . . . . 57 PRO CG . 11173 1 607 . 1 1 58 58 LEU H H 1 8.386 0.030 . 1 . . . . 58 LEU H . 11173 1 608 . 1 1 58 58 LEU HA H 1 4.025 0.030 . 1 . . . . 58 LEU HA . 11173 1 609 . 1 1 58 58 LEU HB2 H 1 1.396 0.030 . 2 . . . . 58 LEU HB2 . 11173 1 610 . 1 1 58 58 LEU HB3 H 1 1.057 0.030 . 2 . . . . 58 LEU HB3 . 11173 1 611 . 1 1 58 58 LEU HD11 H 1 0.172 0.030 . 1 . . . . 58 LEU HD1 . 11173 1 612 . 1 1 58 58 LEU HD12 H 1 0.172 0.030 . 1 . . . . 58 LEU HD1 . 11173 1 613 . 1 1 58 58 LEU HD13 H 1 0.172 0.030 . 1 . . . . 58 LEU HD1 . 11173 1 614 . 1 1 58 58 LEU HD21 H 1 0.413 0.030 . 1 . . . . 58 LEU HD2 . 11173 1 615 . 1 1 58 58 LEU HD22 H 1 0.413 0.030 . 1 . . . . 58 LEU HD2 . 11173 1 616 . 1 1 58 58 LEU HD23 H 1 0.413 0.030 . 1 . . . . 58 LEU HD2 . 11173 1 617 . 1 1 58 58 LEU HG H 1 0.952 0.030 . 1 . . . . 58 LEU HG . 11173 1 618 . 1 1 58 58 LEU C C 13 173.443 0.300 . 1 . . . . 58 LEU C . 11173 1 619 . 1 1 58 58 LEU CA C 13 52.645 0.300 . 1 . . . . 58 LEU CA . 11173 1 620 . 1 1 58 58 LEU CB C 13 40.508 0.300 . 1 . . . . 58 LEU CB . 11173 1 621 . 1 1 58 58 LEU CD1 C 13 22.975 0.300 . 2 . . . . 58 LEU CD1 . 11173 1 622 . 1 1 58 58 LEU CD2 C 13 20.964 0.300 . 2 . . . . 58 LEU CD2 . 11173 1 623 . 1 1 58 58 LEU CG C 13 24.484 0.300 . 1 . . . . 58 LEU CG . 11173 1 624 . 1 1 58 58 LEU N N 15 122.987 0.300 . 1 . . . . 58 LEU N . 11173 1 625 . 1 1 59 59 ILE H H 1 8.280 0.030 . 1 . . . . 59 ILE H . 11173 1 626 . 1 1 59 59 ILE HA H 1 3.990 0.030 . 1 . . . . 59 ILE HA . 11173 1 627 . 1 1 59 59 ILE HB H 1 1.652 0.030 . 1 . . . . 59 ILE HB . 11173 1 628 . 1 1 59 59 ILE HD11 H 1 0.675 0.030 . 1 . . . . 59 ILE HD1 . 11173 1 629 . 1 1 59 59 ILE HD12 H 1 0.675 0.030 . 1 . . . . 59 ILE HD1 . 11173 1 630 . 1 1 59 59 ILE HD13 H 1 0.675 0.030 . 1 . . . . 59 ILE HD1 . 11173 1 631 . 1 1 59 59 ILE HG12 H 1 1.315 0.030 . 2 . . . . 59 ILE HG12 . 11173 1 632 . 1 1 59 59 ILE HG13 H 1 0.958 0.030 . 2 . . . . 59 ILE HG13 . 11173 1 633 . 1 1 59 59 ILE HG21 H 1 0.659 0.030 . 1 . . . . 59 ILE HG2 . 11173 1 634 . 1 1 59 59 ILE HG22 H 1 0.659 0.030 . 1 . . . . 59 ILE HG2 . 11173 1 635 . 1 1 59 59 ILE HG23 H 1 0.659 0.030 . 1 . . . . 59 ILE HG2 . 11173 1 636 . 1 1 59 59 ILE C C 13 172.983 0.300 . 1 . . . . 59 ILE C . 11173 1 637 . 1 1 59 59 ILE CA C 13 57.800 0.300 . 1 . . . . 59 ILE CA . 11173 1 638 . 1 1 59 59 ILE CB C 13 35.799 0.300 . 1 . . . . 59 ILE CB . 11173 1 639 . 1 1 59 59 ILE CD1 C 13 9.908 0.300 . 1 . . . . 59 ILE CD1 . 11173 1 640 . 1 1 59 59 ILE CG1 C 13 24.558 0.300 . 1 . . . . 59 ILE CG1 . 11173 1 641 . 1 1 59 59 ILE CG2 C 13 14.853 0.300 . 1 . . . . 59 ILE CG2 . 11173 1 642 . 1 1 59 59 ILE N N 15 127.397 0.300 . 1 . . . . 59 ILE N . 11173 1 643 . 1 1 60 60 LEU H H 1 8.260 0.030 . 1 . . . . 60 LEU H . 11173 1 644 . 1 1 60 60 LEU HA H 1 4.351 0.030 . 1 . . . . 60 LEU HA . 11173 1 645 . 1 1 60 60 LEU HB2 H 1 1.269 0.030 . 2 . . . . 60 LEU HB2 . 11173 1 646 . 1 1 60 60 LEU HB3 H 1 1.370 0.030 . 2 . . . . 60 LEU HB3 . 11173 1 647 . 1 1 60 60 LEU HD11 H 1 0.592 0.030 . 1 . . . . 60 LEU HD1 . 11173 1 648 . 1 1 60 60 LEU HD12 H 1 0.592 0.030 . 1 . . . . 60 LEU HD1 . 11173 1 649 . 1 1 60 60 LEU HD13 H 1 0.592 0.030 . 1 . . . . 60 LEU HD1 . 11173 1 650 . 1 1 60 60 LEU HD21 H 1 0.455 0.030 . 1 . . . . 60 LEU HD2 . 11173 1 651 . 1 1 60 60 LEU HD22 H 1 0.455 0.030 . 1 . . . . 60 LEU HD2 . 11173 1 652 . 1 1 60 60 LEU HD23 H 1 0.455 0.030 . 1 . . . . 60 LEU HD2 . 11173 1 653 . 1 1 60 60 LEU HG H 1 1.244 0.030 . 1 . . . . 60 LEU HG . 11173 1 654 . 1 1 60 60 LEU C C 13 172.813 0.300 . 1 . . . . 60 LEU C . 11173 1 655 . 1 1 60 60 LEU CA C 13 50.180 0.300 . 1 . . . . 60 LEU CA . 11173 1 656 . 1 1 60 60 LEU CB C 13 39.054 0.300 . 1 . . . . 60 LEU CB . 11173 1 657 . 1 1 60 60 LEU CD1 C 13 22.754 0.300 . 2 . . . . 60 LEU CD1 . 11173 1 658 . 1 1 60 60 LEU CD2 C 13 20.645 0.300 . 2 . . . . 60 LEU CD2 . 11173 1 659 . 1 1 60 60 LEU CG C 13 24.720 0.300 . 1 . . . . 60 LEU CG . 11173 1 660 . 1 1 60 60 LEU N N 15 128.490 0.300 . 1 . . . . 60 LEU N . 11173 1 661 . 1 1 61 61 PRO HA H 1 4.294 0.030 . 1 . . . . 61 PRO HA . 11173 1 662 . 1 1 61 61 PRO HB2 H 1 1.824 0.030 . 2 . . . . 61 PRO HB2 . 11173 1 663 . 1 1 61 61 PRO HB3 H 1 2.199 0.030 . 2 . . . . 61 PRO HB3 . 11173 1 664 . 1 1 61 61 PRO HD2 H 1 3.684 0.030 . 2 . . . . 61 PRO HD2 . 11173 1 665 . 1 1 61 61 PRO HD3 H 1 3.494 0.030 . 2 . . . . 61 PRO HD3 . 11173 1 666 . 1 1 61 61 PRO HG2 H 1 1.985 0.030 . 2 . . . . 61 PRO HG2 . 11173 1 667 . 1 1 61 61 PRO HG3 H 1 1.931 0.030 . 2 . . . . 61 PRO HG3 . 11173 1 668 . 1 1 61 61 PRO CA C 13 60.915 0.300 . 1 . . . . 61 PRO CA . 11173 1 669 . 1 1 61 61 PRO CB C 13 29.513 0.300 . 1 . . . . 61 PRO CB . 11173 1 670 . 1 1 61 61 PRO CD C 13 48.204 0.300 . 1 . . . . 61 PRO CD . 11173 1 671 . 1 1 61 61 PRO CG C 13 25.238 0.300 . 1 . . . . 61 PRO CG . 11173 1 672 . 1 1 62 62 GLY H H 1 8.409 0.030 . 1 . . . . 62 GLY H . 11173 1 673 . 1 1 62 62 GLY HA2 H 1 3.873 0.030 . 1 . . . . 62 GLY HA2 . 11173 1 674 . 1 1 62 62 GLY HA3 H 1 3.873 0.030 . 1 . . . . 62 GLY HA3 . 11173 1 675 . 1 1 62 62 GLY CA C 13 43.091 0.300 . 1 . . . . 62 GLY CA . 11173 1 676 . 1 1 62 62 GLY N N 15 109.403 0.300 . 1 . . . . 62 GLY N . 11173 1 677 . 1 1 71 71 PRO HA H 1 4.374 0.030 . 1 . . . . 71 PRO HA . 11173 1 678 . 1 1 71 71 PRO HB2 H 1 2.176 0.030 . 2 . . . . 71 PRO HB2 . 11173 1 679 . 1 1 71 71 PRO HB3 H 1 1.850 0.030 . 2 . . . . 71 PRO HB3 . 11173 1 680 . 1 1 71 71 PRO HD2 H 1 3.513 0.030 . 1 . . . . 71 PRO HD2 . 11173 1 681 . 1 1 71 71 PRO HD3 H 1 3.513 0.030 . 1 . . . . 71 PRO HD3 . 11173 1 682 . 1 1 71 71 PRO HG2 H 1 1.908 0.030 . 1 . . . . 71 PRO HG2 . 11173 1 683 . 1 1 71 71 PRO HG3 H 1 1.908 0.030 . 1 . . . . 71 PRO HG3 . 11173 1 684 . 1 1 71 71 PRO C C 13 175.042 0.300 . 1 . . . . 71 PRO C . 11173 1 685 . 1 1 71 71 PRO CA C 13 60.886 0.300 . 1 . . . . 71 PRO CA . 11173 1 686 . 1 1 71 71 PRO CB C 13 29.738 0.300 . 1 . . . . 71 PRO CB . 11173 1 687 . 1 1 71 71 PRO CD C 13 47.423 0.300 . 1 . . . . 71 PRO CD . 11173 1 688 . 1 1 71 71 PRO CG C 13 24.805 0.300 . 1 . . . . 71 PRO CG . 11173 1 689 . 1 1 72 72 SER H H 1 8.430 0.030 . 1 . . . . 72 SER H . 11173 1 690 . 1 1 72 72 SER C C 13 172.304 0.300 . 1 . . . . 72 SER C . 11173 1 691 . 1 1 72 72 SER CA C 13 56.016 0.300 . 1 . . . . 72 SER CA . 11173 1 692 . 1 1 72 72 SER CB C 13 61.650 0.300 . 1 . . . . 72 SER CB . 11173 1 693 . 1 1 72 72 SER N N 15 116.032 0.300 . 1 . . . . 72 SER N . 11173 1 stop_ save_