data_11135 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11135 _Entry.Title ; Solution structure of the 8th KH type I domain from human Vigilin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _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 T. Tomizawa . . . 11135 2 T. Kigawa . . . 11135 3 S. Koshiba . . . 11135 4 M. Inoue . . . 11135 5 S. Yokoyama . . . 11135 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)' . 11135 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11135 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 374 11135 '15N chemical shifts' 83 11135 '1H chemical shifts' 608 11135 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-01 2010-03-31 original author . 11135 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CTJ 'BMRB Entry Tracking System' 11135 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11135 _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 8th KH type I domain from human Vigilin' _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 T. Tomizawa . . . 11135 1 2 T. Kigawa . . . 11135 1 3 S. Koshiba . . . 11135 1 4 M. Inoue . . . 11135 1 5 S. Yokoyama . . . 11135 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11135 _Assembly.ID 1 _Assembly.Name Vigilin _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 'KH domain' 1 $entity_1 A . yes native no no . . . 11135 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 2ctj . . . . . . 11135 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11135 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'KH 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 ; GSSGSSGSIQKDLANIAEVE VSIPAKLHNSLIGTKGRLIR SIMEECGGVHIHFPVEGSGS DTVVIRGPSSDVEKAKKQLL HLAEEKQTKSGPSSG ; _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 95 _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 2CTJ . "Solution Structure Of The 8th Kh Type I Domain From Human Vigilin" . . . . . 100.00 95 100.00 100.00 9.58e-59 . . . . 11135 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'KH domain' . 11135 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 . 11135 1 2 . SER . 11135 1 3 . SER . 11135 1 4 . GLY . 11135 1 5 . SER . 11135 1 6 . SER . 11135 1 7 . GLY . 11135 1 8 . SER . 11135 1 9 . ILE . 11135 1 10 . GLN . 11135 1 11 . LYS . 11135 1 12 . ASP . 11135 1 13 . LEU . 11135 1 14 . ALA . 11135 1 15 . ASN . 11135 1 16 . ILE . 11135 1 17 . ALA . 11135 1 18 . GLU . 11135 1 19 . VAL . 11135 1 20 . GLU . 11135 1 21 . VAL . 11135 1 22 . SER . 11135 1 23 . ILE . 11135 1 24 . PRO . 11135 1 25 . ALA . 11135 1 26 . LYS . 11135 1 27 . LEU . 11135 1 28 . HIS . 11135 1 29 . ASN . 11135 1 30 . SER . 11135 1 31 . LEU . 11135 1 32 . ILE . 11135 1 33 . GLY . 11135 1 34 . THR . 11135 1 35 . LYS . 11135 1 36 . GLY . 11135 1 37 . ARG . 11135 1 38 . LEU . 11135 1 39 . ILE . 11135 1 40 . ARG . 11135 1 41 . SER . 11135 1 42 . ILE . 11135 1 43 . MET . 11135 1 44 . GLU . 11135 1 45 . GLU . 11135 1 46 . CYS . 11135 1 47 . GLY . 11135 1 48 . GLY . 11135 1 49 . VAL . 11135 1 50 . HIS . 11135 1 51 . ILE . 11135 1 52 . HIS . 11135 1 53 . PHE . 11135 1 54 . PRO . 11135 1 55 . VAL . 11135 1 56 . GLU . 11135 1 57 . GLY . 11135 1 58 . SER . 11135 1 59 . GLY . 11135 1 60 . SER . 11135 1 61 . ASP . 11135 1 62 . THR . 11135 1 63 . VAL . 11135 1 64 . VAL . 11135 1 65 . ILE . 11135 1 66 . ARG . 11135 1 67 . GLY . 11135 1 68 . PRO . 11135 1 69 . SER . 11135 1 70 . SER . 11135 1 71 . ASP . 11135 1 72 . VAL . 11135 1 73 . GLU . 11135 1 74 . LYS . 11135 1 75 . ALA . 11135 1 76 . LYS . 11135 1 77 . LYS . 11135 1 78 . GLN . 11135 1 79 . LEU . 11135 1 80 . LEU . 11135 1 81 . HIS . 11135 1 82 . LEU . 11135 1 83 . ALA . 11135 1 84 . GLU . 11135 1 85 . GLU . 11135 1 86 . LYS . 11135 1 87 . GLN . 11135 1 88 . THR . 11135 1 89 . LYS . 11135 1 90 . SER . 11135 1 91 . GLY . 11135 1 92 . PRO . 11135 1 93 . SER . 11135 1 94 . SER . 11135 1 95 . GLY . 11135 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 11135 1 . SER 2 2 11135 1 . SER 3 3 11135 1 . GLY 4 4 11135 1 . SER 5 5 11135 1 . SER 6 6 11135 1 . GLY 7 7 11135 1 . SER 8 8 11135 1 . ILE 9 9 11135 1 . GLN 10 10 11135 1 . LYS 11 11 11135 1 . ASP 12 12 11135 1 . LEU 13 13 11135 1 . ALA 14 14 11135 1 . ASN 15 15 11135 1 . ILE 16 16 11135 1 . ALA 17 17 11135 1 . GLU 18 18 11135 1 . VAL 19 19 11135 1 . GLU 20 20 11135 1 . VAL 21 21 11135 1 . SER 22 22 11135 1 . ILE 23 23 11135 1 . PRO 24 24 11135 1 . ALA 25 25 11135 1 . LYS 26 26 11135 1 . LEU 27 27 11135 1 . HIS 28 28 11135 1 . ASN 29 29 11135 1 . SER 30 30 11135 1 . LEU 31 31 11135 1 . ILE 32 32 11135 1 . GLY 33 33 11135 1 . THR 34 34 11135 1 . LYS 35 35 11135 1 . GLY 36 36 11135 1 . ARG 37 37 11135 1 . LEU 38 38 11135 1 . ILE 39 39 11135 1 . ARG 40 40 11135 1 . SER 41 41 11135 1 . ILE 42 42 11135 1 . MET 43 43 11135 1 . GLU 44 44 11135 1 . GLU 45 45 11135 1 . CYS 46 46 11135 1 . GLY 47 47 11135 1 . GLY 48 48 11135 1 . VAL 49 49 11135 1 . HIS 50 50 11135 1 . ILE 51 51 11135 1 . HIS 52 52 11135 1 . PHE 53 53 11135 1 . PRO 54 54 11135 1 . VAL 55 55 11135 1 . GLU 56 56 11135 1 . GLY 57 57 11135 1 . SER 58 58 11135 1 . GLY 59 59 11135 1 . SER 60 60 11135 1 . ASP 61 61 11135 1 . THR 62 62 11135 1 . VAL 63 63 11135 1 . VAL 64 64 11135 1 . ILE 65 65 11135 1 . ARG 66 66 11135 1 . GLY 67 67 11135 1 . PRO 68 68 11135 1 . SER 69 69 11135 1 . SER 70 70 11135 1 . ASP 71 71 11135 1 . VAL 72 72 11135 1 . GLU 73 73 11135 1 . LYS 74 74 11135 1 . ALA 75 75 11135 1 . LYS 76 76 11135 1 . LYS 77 77 11135 1 . GLN 78 78 11135 1 . LEU 79 79 11135 1 . LEU 80 80 11135 1 . HIS 81 81 11135 1 . LEU 82 82 11135 1 . ALA 83 83 11135 1 . GLU 84 84 11135 1 . GLU 85 85 11135 1 . LYS 86 86 11135 1 . GLN 87 87 11135 1 . THR 88 88 11135 1 . LYS 89 89 11135 1 . SER 90 90 11135 1 . GLY 91 91 11135 1 . PRO 92 92 11135 1 . SER 93 93 11135 1 . SER 94 94 11135 1 . GLY 95 95 11135 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 11135 _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 . . . . . . . . . . . . . . . . . . . . . 11135 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 11135 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050131-14 . . . . . . 11135 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11135 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.10mM KH domain {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.10 . . mM . . . . 11135 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11135 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11135 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11135 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11135 1 6 H2O . . . . . . solvent 90 . . % . . . . 11135 1 7 D2O . . . . . . solvent 10 . . % . . . . 11135 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 11135 _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 11135 1 pH 7.0 0.05 pH 11135 1 pressure 1 0.001 atm 11135 1 temperature 296 0.1 K 11135 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11135 _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 . . 11135 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11135 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11135 _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.' . . 11135 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11135 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11135 _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.' . . 11135 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11135 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11135 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11135 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11135 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11135 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11135 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11135 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 11135 _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 11135 _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 . . . 11135 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 11135 _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 . . . . . . . . . . . . . . . . 11135 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11135 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 11135 _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 . . . . . . . . . 11135 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11135 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11135 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 11135 _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 11135 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11135 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 . . 11135 1 2 $NMRPipe . . 11135 1 3 $NMRview . . 11135 1 4 $Kujira . . 11135 1 5 $CYANA . . 11135 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.753 0.030 . 1 . . . . 1 GLY HA2 . 11135 1 2 . 1 1 1 1 GLY HA3 H 1 3.753 0.030 . 1 . . . . 1 GLY HA3 . 11135 1 3 . 1 1 1 1 GLY CA C 13 41.413 0.300 . 1 . . . . 1 GLY CA . 11135 1 4 . 1 1 8 8 SER HA H 1 4.379 0.030 . 1 . . . . 8 SER HA . 11135 1 5 . 1 1 8 8 SER HB2 H 1 3.738 0.030 . 1 . . . . 8 SER HB2 . 11135 1 6 . 1 1 8 8 SER HB3 H 1 3.738 0.030 . 1 . . . . 8 SER HB3 . 11135 1 7 . 1 1 8 8 SER C C 13 172.224 0.300 . 1 . . . . 8 SER C . 11135 1 8 . 1 1 8 8 SER CA C 13 55.917 0.300 . 1 . . . . 8 SER CA . 11135 1 9 . 1 1 8 8 SER CB C 13 61.529 0.300 . 1 . . . . 8 SER CB . 11135 1 10 . 1 1 9 9 ILE H H 1 8.082 0.030 . 1 . . . . 9 ILE H . 11135 1 11 . 1 1 9 9 ILE HA H 1 4.069 0.030 . 1 . . . . 9 ILE HA . 11135 1 12 . 1 1 9 9 ILE HB H 1 1.767 0.030 . 1 . . . . 9 ILE HB . 11135 1 13 . 1 1 9 9 ILE HD11 H 1 0.753 0.030 . 1 . . . . 9 ILE HD1 . 11135 1 14 . 1 1 9 9 ILE HD12 H 1 0.753 0.030 . 1 . . . . 9 ILE HD1 . 11135 1 15 . 1 1 9 9 ILE HD13 H 1 0.753 0.030 . 1 . . . . 9 ILE HD1 . 11135 1 16 . 1 1 9 9 ILE HG12 H 1 1.361 0.030 . 2 . . . . 9 ILE HG12 . 11135 1 17 . 1 1 9 9 ILE HG13 H 1 1.087 0.030 . 2 . . . . 9 ILE HG13 . 11135 1 18 . 1 1 9 9 ILE HG21 H 1 0.791 0.030 . 1 . . . . 9 ILE HG2 . 11135 1 19 . 1 1 9 9 ILE HG22 H 1 0.791 0.030 . 1 . . . . 9 ILE HG2 . 11135 1 20 . 1 1 9 9 ILE HG23 H 1 0.791 0.030 . 1 . . . . 9 ILE HG2 . 11135 1 21 . 1 1 9 9 ILE C C 13 173.947 0.300 . 1 . . . . 9 ILE C . 11135 1 22 . 1 1 9 9 ILE CA C 13 58.973 0.300 . 1 . . . . 9 ILE CA . 11135 1 23 . 1 1 9 9 ILE CB C 13 36.278 0.300 . 1 . . . . 9 ILE CB . 11135 1 24 . 1 1 9 9 ILE CD1 C 13 10.597 0.300 . 1 . . . . 9 ILE CD1 . 11135 1 25 . 1 1 9 9 ILE CG1 C 13 24.995 0.300 . 1 . . . . 9 ILE CG1 . 11135 1 26 . 1 1 9 9 ILE CG2 C 13 15.129 0.300 . 1 . . . . 9 ILE CG2 . 11135 1 27 . 1 1 9 9 ILE N N 15 122.227 0.300 . 1 . . . . 9 ILE N . 11135 1 28 . 1 1 10 10 GLN H H 1 8.336 0.030 . 1 . . . . 10 GLN H . 11135 1 29 . 1 1 10 10 GLN HA H 1 4.201 0.030 . 1 . . . . 10 GLN HA . 11135 1 30 . 1 1 10 10 GLN HB2 H 1 1.879 0.030 . 2 . . . . 10 GLN HB2 . 11135 1 31 . 1 1 10 10 GLN HB3 H 1 1.980 0.030 . 2 . . . . 10 GLN HB3 . 11135 1 32 . 1 1 10 10 GLN HE21 H 1 6.757 0.030 . 2 . . . . 10 GLN HE21 . 11135 1 33 . 1 1 10 10 GLN HE22 H 1 7.494 0.030 . 2 . . . . 10 GLN HE22 . 11135 1 34 . 1 1 10 10 GLN HG2 H 1 2.263 0.030 . 1 . . . . 10 GLN HG2 . 11135 1 35 . 1 1 10 10 GLN HG3 H 1 2.263 0.030 . 1 . . . . 10 GLN HG3 . 11135 1 36 . 1 1 10 10 GLN C C 13 173.654 0.300 . 1 . . . . 10 GLN C . 11135 1 37 . 1 1 10 10 GLN CA C 13 53.644 0.300 . 1 . . . . 10 GLN CA . 11135 1 38 . 1 1 10 10 GLN CB C 13 26.945 0.300 . 1 . . . . 10 GLN CB . 11135 1 39 . 1 1 10 10 GLN CG C 13 31.450 0.300 . 1 . . . . 10 GLN CG . 11135 1 40 . 1 1 10 10 GLN N N 15 124.273 0.300 . 1 . . . . 10 GLN N . 11135 1 41 . 1 1 10 10 GLN NE2 N 15 112.382 0.300 . 1 . . . . 10 GLN NE2 . 11135 1 42 . 1 1 11 11 LYS H H 1 8.249 0.030 . 1 . . . . 11 LYS H . 11135 1 43 . 1 1 11 11 LYS HA H 1 4.150 0.030 . 1 . . . . 11 LYS HA . 11135 1 44 . 1 1 11 11 LYS HB2 H 1 1.646 0.030 . 2 . . . . 11 LYS HB2 . 11135 1 45 . 1 1 11 11 LYS HB3 H 1 1.701 0.030 . 2 . . . . 11 LYS HB3 . 11135 1 46 . 1 1 11 11 LYS HD2 H 1 1.565 0.030 . 1 . . . . 11 LYS HD2 . 11135 1 47 . 1 1 11 11 LYS HD3 H 1 1.565 0.030 . 1 . . . . 11 LYS HD3 . 11135 1 48 . 1 1 11 11 LYS HE2 H 1 2.881 0.030 . 1 . . . . 11 LYS HE2 . 11135 1 49 . 1 1 11 11 LYS HE3 H 1 2.881 0.030 . 1 . . . . 11 LYS HE3 . 11135 1 50 . 1 1 11 11 LYS HG2 H 1 1.348 0.030 . 1 . . . . 11 LYS HG2 . 11135 1 51 . 1 1 11 11 LYS HG3 H 1 1.348 0.030 . 1 . . . . 11 LYS HG3 . 11135 1 52 . 1 1 11 11 LYS C C 13 173.880 0.300 . 1 . . . . 11 LYS C . 11135 1 53 . 1 1 11 11 LYS CA C 13 54.407 0.300 . 1 . . . . 11 LYS CA . 11135 1 54 . 1 1 11 11 LYS CB C 13 30.783 0.300 . 1 . . . . 11 LYS CB . 11135 1 55 . 1 1 11 11 LYS CD C 13 26.763 0.300 . 1 . . . . 11 LYS CD . 11135 1 56 . 1 1 11 11 LYS CE C 13 39.695 0.300 . 1 . . . . 11 LYS CE . 11135 1 57 . 1 1 11 11 LYS CG C 13 22.451 0.300 . 1 . . . . 11 LYS CG . 11135 1 58 . 1 1 11 11 LYS N N 15 122.764 0.300 . 1 . . . . 11 LYS N . 11135 1 59 . 1 1 12 12 ASP H H 1 8.271 0.030 . 1 . . . . 12 ASP H . 11135 1 60 . 1 1 12 12 ASP HA H 1 4.480 0.030 . 1 . . . . 12 ASP HA . 11135 1 61 . 1 1 12 12 ASP HB2 H 1 2.519 0.030 . 2 . . . . 12 ASP HB2 . 11135 1 62 . 1 1 12 12 ASP HB3 H 1 2.638 0.030 . 2 . . . . 12 ASP HB3 . 11135 1 63 . 1 1 12 12 ASP C C 13 174.122 0.300 . 1 . . . . 12 ASP C . 11135 1 64 . 1 1 12 12 ASP CA C 13 52.127 0.300 . 1 . . . . 12 ASP CA . 11135 1 65 . 1 1 12 12 ASP CB C 13 38.590 0.300 . 1 . . . . 12 ASP CB . 11135 1 66 . 1 1 12 12 ASP N N 15 120.619 0.300 . 1 . . . . 12 ASP N . 11135 1 67 . 1 1 13 13 LEU H H 1 8.049 0.030 . 1 . . . . 13 LEU H . 11135 1 68 . 1 1 13 13 LEU HA H 1 4.186 0.030 . 1 . . . . 13 LEU HA . 11135 1 69 . 1 1 13 13 LEU HB2 H 1 1.502 0.030 . 2 . . . . 13 LEU HB2 . 11135 1 70 . 1 1 13 13 LEU HB3 H 1 1.559 0.030 . 2 . . . . 13 LEU HB3 . 11135 1 71 . 1 1 13 13 LEU HD11 H 1 0.820 0.030 . 1 . . . . 13 LEU HD1 . 11135 1 72 . 1 1 13 13 LEU HD12 H 1 0.820 0.030 . 1 . . . . 13 LEU HD1 . 11135 1 73 . 1 1 13 13 LEU HD13 H 1 0.820 0.030 . 1 . . . . 13 LEU HD1 . 11135 1 74 . 1 1 13 13 LEU HD21 H 1 0.755 0.030 . 1 . . . . 13 LEU HD2 . 11135 1 75 . 1 1 13 13 LEU HD22 H 1 0.755 0.030 . 1 . . . . 13 LEU HD2 . 11135 1 76 . 1 1 13 13 LEU HD23 H 1 0.755 0.030 . 1 . . . . 13 LEU HD2 . 11135 1 77 . 1 1 13 13 LEU HG H 1 1.540 0.030 . 1 . . . . 13 LEU HG . 11135 1 78 . 1 1 13 13 LEU C C 13 174.988 0.300 . 1 . . . . 13 LEU C . 11135 1 79 . 1 1 13 13 LEU CA C 13 53.006 0.300 . 1 . . . . 13 LEU CA . 11135 1 80 . 1 1 13 13 LEU CB C 13 39.770 0.300 . 1 . . . . 13 LEU CB . 11135 1 81 . 1 1 13 13 LEU CD1 C 13 22.750 0.300 . 2 . . . . 13 LEU CD1 . 11135 1 82 . 1 1 13 13 LEU CD2 C 13 20.900 0.300 . 2 . . . . 13 LEU CD2 . 11135 1 83 . 1 1 13 13 LEU CG C 13 24.678 0.300 . 1 . . . . 13 LEU CG . 11135 1 84 . 1 1 13 13 LEU N N 15 122.189 0.300 . 1 . . . . 13 LEU N . 11135 1 85 . 1 1 14 14 ALA H H 1 8.078 0.030 . 1 . . . . 14 ALA H . 11135 1 86 . 1 1 14 14 ALA HA H 1 4.191 0.030 . 1 . . . . 14 ALA HA . 11135 1 87 . 1 1 14 14 ALA HB1 H 1 1.303 0.030 . 1 . . . . 14 ALA HB . 11135 1 88 . 1 1 14 14 ALA HB2 H 1 1.303 0.030 . 1 . . . . 14 ALA HB . 11135 1 89 . 1 1 14 14 ALA HB3 H 1 1.303 0.030 . 1 . . . . 14 ALA HB . 11135 1 90 . 1 1 14 14 ALA C C 13 175.137 0.300 . 1 . . . . 14 ALA C . 11135 1 91 . 1 1 14 14 ALA CA C 13 50.397 0.300 . 1 . . . . 14 ALA CA . 11135 1 92 . 1 1 14 14 ALA CB C 13 16.820 0.300 . 1 . . . . 14 ALA CB . 11135 1 93 . 1 1 14 14 ALA N N 15 122.795 0.300 . 1 . . . . 14 ALA N . 11135 1 94 . 1 1 15 15 ASN H H 1 8.143 0.030 . 1 . . . . 15 ASN H . 11135 1 95 . 1 1 15 15 ASN HA H 1 4.589 0.030 . 1 . . . . 15 ASN HA . 11135 1 96 . 1 1 15 15 ASN HB2 H 1 2.778 0.030 . 2 . . . . 15 ASN HB2 . 11135 1 97 . 1 1 15 15 ASN HB3 H 1 2.667 0.030 . 2 . . . . 15 ASN HB3 . 11135 1 98 . 1 1 15 15 ASN HD21 H 1 7.594 0.030 . 2 . . . . 15 ASN HD21 . 11135 1 99 . 1 1 15 15 ASN HD22 H 1 6.878 0.030 . 2 . . . . 15 ASN HD22 . 11135 1 100 . 1 1 15 15 ASN C C 13 172.214 0.300 . 1 . . . . 15 ASN C . 11135 1 101 . 1 1 15 15 ASN CA C 13 50.849 0.300 . 1 . . . . 15 ASN CA . 11135 1 102 . 1 1 15 15 ASN CB C 13 36.353 0.300 . 1 . . . . 15 ASN CB . 11135 1 103 . 1 1 15 15 ASN N N 15 116.675 0.300 . 1 . . . . 15 ASN N . 11135 1 104 . 1 1 15 15 ASN ND2 N 15 112.623 0.300 . 1 . . . . 15 ASN ND2 . 11135 1 105 . 1 1 16 16 ILE H H 1 7.841 0.030 . 1 . . . . 16 ILE H . 11135 1 106 . 1 1 16 16 ILE HA H 1 3.980 0.030 . 1 . . . . 16 ILE HA . 11135 1 107 . 1 1 16 16 ILE HB H 1 1.715 0.030 . 1 . . . . 16 ILE HB . 11135 1 108 . 1 1 16 16 ILE HD11 H 1 0.634 0.030 . 1 . . . . 16 ILE HD1 . 11135 1 109 . 1 1 16 16 ILE HD12 H 1 0.634 0.030 . 1 . . . . 16 ILE HD1 . 11135 1 110 . 1 1 16 16 ILE HD13 H 1 0.634 0.030 . 1 . . . . 16 ILE HD1 . 11135 1 111 . 1 1 16 16 ILE HG12 H 1 1.125 0.030 . 2 . . . . 16 ILE HG12 . 11135 1 112 . 1 1 16 16 ILE HG13 H 1 1.294 0.030 . 2 . . . . 16 ILE HG13 . 11135 1 113 . 1 1 16 16 ILE HG21 H 1 0.670 0.030 . 1 . . . . 16 ILE HG2 . 11135 1 114 . 1 1 16 16 ILE HG22 H 1 0.670 0.030 . 1 . . . . 16 ILE HG2 . 11135 1 115 . 1 1 16 16 ILE HG23 H 1 0.670 0.030 . 1 . . . . 16 ILE HG2 . 11135 1 116 . 1 1 16 16 ILE C C 13 172.399 0.300 . 1 . . . . 16 ILE C . 11135 1 117 . 1 1 16 16 ILE CA C 13 57.785 0.300 . 1 . . . . 16 ILE CA . 11135 1 118 . 1 1 16 16 ILE CB C 13 35.812 0.300 . 1 . . . . 16 ILE CB . 11135 1 119 . 1 1 16 16 ILE CD1 C 13 9.142 0.300 . 1 . . . . 16 ILE CD1 . 11135 1 120 . 1 1 16 16 ILE CG1 C 13 24.731 0.300 . 1 . . . . 16 ILE CG1 . 11135 1 121 . 1 1 16 16 ILE CG2 C 13 15.130 0.300 . 1 . . . . 16 ILE CG2 . 11135 1 122 . 1 1 16 16 ILE N N 15 121.178 0.300 . 1 . . . . 16 ILE N . 11135 1 123 . 1 1 17 17 ALA H H 1 8.815 0.030 . 1 . . . . 17 ALA H . 11135 1 124 . 1 1 17 17 ALA HA H 1 4.591 0.030 . 1 . . . . 17 ALA HA . 11135 1 125 . 1 1 17 17 ALA HB1 H 1 1.285 0.030 . 1 . . . . 17 ALA HB . 11135 1 126 . 1 1 17 17 ALA HB2 H 1 1.285 0.030 . 1 . . . . 17 ALA HB . 11135 1 127 . 1 1 17 17 ALA HB3 H 1 1.285 0.030 . 1 . . . . 17 ALA HB . 11135 1 128 . 1 1 17 17 ALA C C 13 172.678 0.300 . 1 . . . . 17 ALA C . 11135 1 129 . 1 1 17 17 ALA CA C 13 48.390 0.300 . 1 . . . . 17 ALA CA . 11135 1 130 . 1 1 17 17 ALA CB C 13 19.973 0.300 . 1 . . . . 17 ALA CB . 11135 1 131 . 1 1 17 17 ALA N N 15 130.358 0.300 . 1 . . . . 17 ALA N . 11135 1 132 . 1 1 18 18 GLU H H 1 8.092 0.030 . 1 . . . . 18 GLU H . 11135 1 133 . 1 1 18 18 GLU HA H 1 5.219 0.030 . 1 . . . . 18 GLU HA . 11135 1 134 . 1 1 18 18 GLU HB2 H 1 1.783 0.030 . 1 . . . . 18 GLU HB2 . 11135 1 135 . 1 1 18 18 GLU HB3 H 1 1.783 0.030 . 1 . . . . 18 GLU HB3 . 11135 1 136 . 1 1 18 18 GLU HG2 H 1 1.817 0.030 . 2 . . . . 18 GLU HG2 . 11135 1 137 . 1 1 18 18 GLU HG3 H 1 1.909 0.030 . 2 . . . . 18 GLU HG3 . 11135 1 138 . 1 1 18 18 GLU C C 13 173.041 0.300 . 1 . . . . 18 GLU C . 11135 1 139 . 1 1 18 18 GLU CA C 13 52.835 0.300 . 1 . . . . 18 GLU CA . 11135 1 140 . 1 1 18 18 GLU CB C 13 30.676 0.300 . 1 . . . . 18 GLU CB . 11135 1 141 . 1 1 18 18 GLU CG C 13 35.112 0.300 . 1 . . . . 18 GLU CG . 11135 1 142 . 1 1 18 18 GLU N N 15 118.508 0.300 . 1 . . . . 18 GLU N . 11135 1 143 . 1 1 19 19 VAL H H 1 8.962 0.030 . 1 . . . . 19 VAL H . 11135 1 144 . 1 1 19 19 VAL HA H 1 4.450 0.030 . 1 . . . . 19 VAL HA . 11135 1 145 . 1 1 19 19 VAL HB H 1 1.794 0.030 . 1 . . . . 19 VAL HB . 11135 1 146 . 1 1 19 19 VAL HG11 H 1 0.707 0.030 . 1 . . . . 19 VAL HG1 . 11135 1 147 . 1 1 19 19 VAL HG12 H 1 0.707 0.030 . 1 . . . . 19 VAL HG1 . 11135 1 148 . 1 1 19 19 VAL HG13 H 1 0.707 0.030 . 1 . . . . 19 VAL HG1 . 11135 1 149 . 1 1 19 19 VAL HG21 H 1 0.707 0.030 . 1 . . . . 19 VAL HG2 . 11135 1 150 . 1 1 19 19 VAL HG22 H 1 0.707 0.030 . 1 . . . . 19 VAL HG2 . 11135 1 151 . 1 1 19 19 VAL HG23 H 1 0.707 0.030 . 1 . . . . 19 VAL HG2 . 11135 1 152 . 1 1 19 19 VAL C C 13 171.024 0.300 . 1 . . . . 19 VAL C . 11135 1 153 . 1 1 19 19 VAL CA C 13 57.597 0.300 . 1 . . . . 19 VAL CA . 11135 1 154 . 1 1 19 19 VAL CB C 13 33.344 0.300 . 1 . . . . 19 VAL CB . 11135 1 155 . 1 1 19 19 VAL CG1 C 13 18.861 0.300 . 1 . . . . 19 VAL CG1 . 11135 1 156 . 1 1 19 19 VAL CG2 C 13 18.861 0.300 . 1 . . . . 19 VAL CG2 . 11135 1 157 . 1 1 19 19 VAL N N 15 122.939 0.300 . 1 . . . . 19 VAL N . 11135 1 158 . 1 1 20 20 GLU H H 1 8.218 0.030 . 1 . . . . 20 GLU H . 11135 1 159 . 1 1 20 20 GLU HA H 1 4.962 0.030 . 1 . . . . 20 GLU HA . 11135 1 160 . 1 1 20 20 GLU HB2 H 1 1.644 0.030 . 2 . . . . 20 GLU HB2 . 11135 1 161 . 1 1 20 20 GLU HB3 H 1 1.766 0.030 . 2 . . . . 20 GLU HB3 . 11135 1 162 . 1 1 20 20 GLU HG2 H 1 1.862 0.030 . 2 . . . . 20 GLU HG2 . 11135 1 163 . 1 1 20 20 GLU HG3 H 1 2.162 0.030 . 2 . . . . 20 GLU HG3 . 11135 1 164 . 1 1 20 20 GLU C C 13 173.846 0.300 . 1 . . . . 20 GLU C . 11135 1 165 . 1 1 20 20 GLU CA C 13 52.047 0.300 . 1 . . . . 20 GLU CA . 11135 1 166 . 1 1 20 20 GLU CB C 13 29.452 0.300 . 1 . . . . 20 GLU CB . 11135 1 167 . 1 1 20 20 GLU CG C 13 34.185 0.300 . 1 . . . . 20 GLU CG . 11135 1 168 . 1 1 20 20 GLU N N 15 122.054 0.300 . 1 . . . . 20 GLU N . 11135 1 169 . 1 1 21 21 VAL H H 1 9.220 0.030 . 1 . . . . 21 VAL H . 11135 1 170 . 1 1 21 21 VAL HA H 1 4.306 0.030 . 1 . . . . 21 VAL HA . 11135 1 171 . 1 1 21 21 VAL HB H 1 1.753 0.030 . 1 . . . . 21 VAL HB . 11135 1 172 . 1 1 21 21 VAL HG11 H 1 0.654 0.030 . 1 . . . . 21 VAL HG1 . 11135 1 173 . 1 1 21 21 VAL HG12 H 1 0.654 0.030 . 1 . . . . 21 VAL HG1 . 11135 1 174 . 1 1 21 21 VAL HG13 H 1 0.654 0.030 . 1 . . . . 21 VAL HG1 . 11135 1 175 . 1 1 21 21 VAL HG21 H 1 0.714 0.030 . 1 . . . . 21 VAL HG2 . 11135 1 176 . 1 1 21 21 VAL HG22 H 1 0.714 0.030 . 1 . . . . 21 VAL HG2 . 11135 1 177 . 1 1 21 21 VAL HG23 H 1 0.714 0.030 . 1 . . . . 21 VAL HG2 . 11135 1 178 . 1 1 21 21 VAL C C 13 171.277 0.300 . 1 . . . . 21 VAL C . 11135 1 179 . 1 1 21 21 VAL CA C 13 57.489 0.300 . 1 . . . . 21 VAL CA . 11135 1 180 . 1 1 21 21 VAL CB C 13 32.480 0.300 . 1 . . . . 21 VAL CB . 11135 1 181 . 1 1 21 21 VAL CG1 C 13 18.595 0.300 . 2 . . . . 21 VAL CG1 . 11135 1 182 . 1 1 21 21 VAL CG2 C 13 19.053 0.300 . 2 . . . . 21 VAL CG2 . 11135 1 183 . 1 1 21 21 VAL N N 15 121.335 0.300 . 1 . . . . 21 VAL N . 11135 1 184 . 1 1 22 22 SER H H 1 8.387 0.030 . 1 . . . . 22 SER H . 11135 1 185 . 1 1 22 22 SER HA H 1 4.819 0.030 . 1 . . . . 22 SER HA . 11135 1 186 . 1 1 22 22 SER HB2 H 1 3.688 0.030 . 2 . . . . 22 SER HB2 . 11135 1 187 . 1 1 22 22 SER HB3 H 1 3.571 0.030 . 2 . . . . 22 SER HB3 . 11135 1 188 . 1 1 22 22 SER C C 13 171.848 0.300 . 1 . . . . 22 SER C . 11135 1 189 . 1 1 22 22 SER CA C 13 55.011 0.300 . 1 . . . . 22 SER CA . 11135 1 190 . 1 1 22 22 SER CB C 13 60.837 0.300 . 1 . . . . 22 SER CB . 11135 1 191 . 1 1 22 22 SER N N 15 120.584 0.300 . 1 . . . . 22 SER N . 11135 1 192 . 1 1 23 23 ILE H H 1 9.057 0.030 . 1 . . . . 23 ILE H . 11135 1 193 . 1 1 23 23 ILE HA H 1 4.476 0.030 . 1 . . . . 23 ILE HA . 11135 1 194 . 1 1 23 23 ILE HB H 1 1.537 0.030 . 1 . . . . 23 ILE HB . 11135 1 195 . 1 1 23 23 ILE HD11 H 1 0.534 0.030 . 1 . . . . 23 ILE HD1 . 11135 1 196 . 1 1 23 23 ILE HD12 H 1 0.534 0.030 . 1 . . . . 23 ILE HD1 . 11135 1 197 . 1 1 23 23 ILE HD13 H 1 0.534 0.030 . 1 . . . . 23 ILE HD1 . 11135 1 198 . 1 1 23 23 ILE HG12 H 1 1.284 0.030 . 2 . . . . 23 ILE HG12 . 11135 1 199 . 1 1 23 23 ILE HG13 H 1 0.961 0.030 . 2 . . . . 23 ILE HG13 . 11135 1 200 . 1 1 23 23 ILE HG21 H 1 0.900 0.030 . 1 . . . . 23 ILE HG2 . 11135 1 201 . 1 1 23 23 ILE HG22 H 1 0.900 0.030 . 1 . . . . 23 ILE HG2 . 11135 1 202 . 1 1 23 23 ILE HG23 H 1 0.900 0.030 . 1 . . . . 23 ILE HG2 . 11135 1 203 . 1 1 23 23 ILE C C 13 170.747 0.300 . 1 . . . . 23 ILE C . 11135 1 204 . 1 1 23 23 ILE CA C 13 55.130 0.300 . 1 . . . . 23 ILE CA . 11135 1 205 . 1 1 23 23 ILE CB C 13 39.807 0.300 . 1 . . . . 23 ILE CB . 11135 1 206 . 1 1 23 23 ILE CD1 C 13 10.661 0.300 . 1 . . . . 23 ILE CD1 . 11135 1 207 . 1 1 23 23 ILE CG1 C 13 24.767 0.300 . 1 . . . . 23 ILE CG1 . 11135 1 208 . 1 1 23 23 ILE CG2 C 13 14.685 0.300 . 1 . . . . 23 ILE CG2 . 11135 1 209 . 1 1 23 23 ILE N N 15 127.379 0.300 . 1 . . . . 23 ILE N . 11135 1 210 . 1 1 24 24 PRO HA H 1 4.046 0.030 . 1 . . . . 24 PRO HA . 11135 1 211 . 1 1 24 24 PRO HB2 H 1 2.258 0.030 . 2 . . . . 24 PRO HB2 . 11135 1 212 . 1 1 24 24 PRO HB3 H 1 1.691 0.030 . 2 . . . . 24 PRO HB3 . 11135 1 213 . 1 1 24 24 PRO HD2 H 1 3.420 0.030 . 2 . . . . 24 PRO HD2 . 11135 1 214 . 1 1 24 24 PRO HD3 H 1 3.801 0.030 . 2 . . . . 24 PRO HD3 . 11135 1 215 . 1 1 24 24 PRO HG2 H 1 1.912 0.030 . 2 . . . . 24 PRO HG2 . 11135 1 216 . 1 1 24 24 PRO HG3 H 1 2.013 0.030 . 2 . . . . 24 PRO HG3 . 11135 1 217 . 1 1 24 24 PRO C C 13 175.161 0.300 . 1 . . . . 24 PRO C . 11135 1 218 . 1 1 24 24 PRO CA C 13 61.922 0.300 . 1 . . . . 24 PRO CA . 11135 1 219 . 1 1 24 24 PRO CB C 13 30.087 0.300 . 1 . . . . 24 PRO CB . 11135 1 220 . 1 1 24 24 PRO CD C 13 48.700 0.300 . 1 . . . . 24 PRO CD . 11135 1 221 . 1 1 24 24 PRO CG C 13 25.224 0.300 . 1 . . . . 24 PRO CG . 11135 1 222 . 1 1 25 25 ALA H H 1 8.435 0.030 . 1 . . . . 25 ALA H . 11135 1 223 . 1 1 25 25 ALA HA H 1 1.943 0.030 . 1 . . . . 25 ALA HA . 11135 1 224 . 1 1 25 25 ALA HB1 H 1 1.104 0.030 . 1 . . . . 25 ALA HB . 11135 1 225 . 1 1 25 25 ALA HB2 H 1 1.104 0.030 . 1 . . . . 25 ALA HB . 11135 1 226 . 1 1 25 25 ALA HB3 H 1 1.104 0.030 . 1 . . . . 25 ALA HB . 11135 1 227 . 1 1 25 25 ALA C C 13 177.736 0.300 . 1 . . . . 25 ALA C . 11135 1 228 . 1 1 25 25 ALA CA C 13 52.129 0.300 . 1 . . . . 25 ALA CA . 11135 1 229 . 1 1 25 25 ALA CB C 13 15.947 0.300 . 1 . . . . 25 ALA CB . 11135 1 230 . 1 1 25 25 ALA N N 15 127.544 0.300 . 1 . . . . 25 ALA N . 11135 1 231 . 1 1 26 26 LYS H H 1 8.432 0.030 . 1 . . . . 26 LYS H . 11135 1 232 . 1 1 26 26 LYS HA H 1 4.037 0.030 . 1 . . . . 26 LYS HA . 11135 1 233 . 1 1 26 26 LYS HB2 H 1 1.658 0.030 . 2 . . . . 26 LYS HB2 . 11135 1 234 . 1 1 26 26 LYS HB3 H 1 1.784 0.030 . 2 . . . . 26 LYS HB3 . 11135 1 235 . 1 1 26 26 LYS HD2 H 1 1.576 0.030 . 1 . . . . 26 LYS HD2 . 11135 1 236 . 1 1 26 26 LYS HD3 H 1 1.576 0.030 . 1 . . . . 26 LYS HD3 . 11135 1 237 . 1 1 26 26 LYS HE2 H 1 2.828 0.030 . 1 . . . . 26 LYS HE2 . 11135 1 238 . 1 1 26 26 LYS HE3 H 1 2.828 0.030 . 1 . . . . 26 LYS HE3 . 11135 1 239 . 1 1 26 26 LYS HG2 H 1 1.162 0.030 . 2 . . . . 26 LYS HG2 . 11135 1 240 . 1 1 26 26 LYS HG3 H 1 1.265 0.030 . 2 . . . . 26 LYS HG3 . 11135 1 241 . 1 1 26 26 LYS C C 13 175.024 0.300 . 1 . . . . 26 LYS C . 11135 1 242 . 1 1 26 26 LYS CA C 13 55.895 0.300 . 1 . . . . 26 LYS CA . 11135 1 243 . 1 1 26 26 LYS CB C 13 29.200 0.300 . 1 . . . . 26 LYS CB . 11135 1 244 . 1 1 26 26 LYS CD C 13 26.897 0.300 . 1 . . . . 26 LYS CD . 11135 1 245 . 1 1 26 26 LYS CE C 13 39.666 0.300 . 1 . . . . 26 LYS CE . 11135 1 246 . 1 1 26 26 LYS CG C 13 22.138 0.300 . 1 . . . . 26 LYS CG . 11135 1 247 . 1 1 26 26 LYS N N 15 115.586 0.300 . 1 . . . . 26 LYS N . 11135 1 248 . 1 1 27 27 LEU H H 1 8.188 0.030 . 1 . . . . 27 LEU H . 11135 1 249 . 1 1 27 27 LEU HA H 1 4.351 0.030 . 1 . . . . 27 LEU HA . 11135 1 250 . 1 1 27 27 LEU HB2 H 1 1.772 0.030 . 2 . . . . 27 LEU HB2 . 11135 1 251 . 1 1 27 27 LEU HB3 H 1 1.460 0.030 . 2 . . . . 27 LEU HB3 . 11135 1 252 . 1 1 27 27 LEU HD11 H 1 0.861 0.030 . 1 . . . . 27 LEU HD1 . 11135 1 253 . 1 1 27 27 LEU HD12 H 1 0.861 0.030 . 1 . . . . 27 LEU HD1 . 11135 1 254 . 1 1 27 27 LEU HD13 H 1 0.861 0.030 . 1 . . . . 27 LEU HD1 . 11135 1 255 . 1 1 27 27 LEU HD21 H 1 0.738 0.030 . 1 . . . . 27 LEU HD2 . 11135 1 256 . 1 1 27 27 LEU HD22 H 1 0.738 0.030 . 1 . . . . 27 LEU HD2 . 11135 1 257 . 1 1 27 27 LEU HD23 H 1 0.738 0.030 . 1 . . . . 27 LEU HD2 . 11135 1 258 . 1 1 27 27 LEU HG H 1 1.524 0.030 . 1 . . . . 27 LEU HG . 11135 1 259 . 1 1 27 27 LEU C C 13 176.166 0.300 . 1 . . . . 27 LEU C . 11135 1 260 . 1 1 27 27 LEU CA C 13 52.429 0.300 . 1 . . . . 27 LEU CA . 11135 1 261 . 1 1 27 27 LEU CB C 13 40.860 0.300 . 1 . . . . 27 LEU CB . 11135 1 262 . 1 1 27 27 LEU CD1 C 13 23.166 0.300 . 2 . . . . 27 LEU CD1 . 11135 1 263 . 1 1 27 27 LEU CD2 C 13 20.481 0.300 . 2 . . . . 27 LEU CD2 . 11135 1 264 . 1 1 27 27 LEU CG C 13 24.773 0.300 . 1 . . . . 27 LEU CG . 11135 1 265 . 1 1 27 27 LEU N N 15 117.216 0.300 . 1 . . . . 27 LEU N . 11135 1 266 . 1 1 28 28 HIS H H 1 7.834 0.030 . 1 . . . . 28 HIS H . 11135 1 267 . 1 1 28 28 HIS HA H 1 4.017 0.030 . 1 . . . . 28 HIS HA . 11135 1 268 . 1 1 28 28 HIS HB2 H 1 3.208 0.030 . 2 . . . . 28 HIS HB2 . 11135 1 269 . 1 1 28 28 HIS HB3 H 1 2.913 0.030 . 2 . . . . 28 HIS HB3 . 11135 1 270 . 1 1 28 28 HIS HD2 H 1 6.402 0.030 . 1 . . . . 28 HIS HD2 . 11135 1 271 . 1 1 28 28 HIS HE1 H 1 7.708 0.030 . 1 . . . . 28 HIS HE1 . 11135 1 272 . 1 1 28 28 HIS C C 13 174.698 0.300 . 1 . . . . 28 HIS C . 11135 1 273 . 1 1 28 28 HIS CA C 13 57.498 0.300 . 1 . . . . 28 HIS CA . 11135 1 274 . 1 1 28 28 HIS CB C 13 28.900 0.300 . 1 . . . . 28 HIS CB . 11135 1 275 . 1 1 28 28 HIS CD2 C 13 113.322 0.300 . 1 . . . . 28 HIS CD2 . 11135 1 276 . 1 1 28 28 HIS CE1 C 13 136.078 0.300 . 1 . . . . 28 HIS CE1 . 11135 1 277 . 1 1 28 28 HIS N N 15 118.771 0.300 . 1 . . . . 28 HIS N . 11135 1 278 . 1 1 29 29 ASN H H 1 8.896 0.030 . 1 . . . . 29 ASN H . 11135 1 279 . 1 1 29 29 ASN HA H 1 4.244 0.030 . 1 . . . . 29 ASN HA . 11135 1 280 . 1 1 29 29 ASN HB2 H 1 2.618 0.030 . 2 . . . . 29 ASN HB2 . 11135 1 281 . 1 1 29 29 ASN HB3 H 1 2.742 0.030 . 2 . . . . 29 ASN HB3 . 11135 1 282 . 1 1 29 29 ASN HD21 H 1 7.562 0.030 . 2 . . . . 29 ASN HD21 . 11135 1 283 . 1 1 29 29 ASN HD22 H 1 6.858 0.030 . 2 . . . . 29 ASN HD22 . 11135 1 284 . 1 1 29 29 ASN C C 13 175.870 0.300 . 1 . . . . 29 ASN C . 11135 1 285 . 1 1 29 29 ASN CA C 13 54.498 0.300 . 1 . . . . 29 ASN CA . 11135 1 286 . 1 1 29 29 ASN CB C 13 35.446 0.300 . 1 . . . . 29 ASN CB . 11135 1 287 . 1 1 29 29 ASN N N 15 115.709 0.300 . 1 . . . . 29 ASN N . 11135 1 288 . 1 1 29 29 ASN ND2 N 15 112.476 0.300 . 1 . . . . 29 ASN ND2 . 11135 1 289 . 1 1 30 30 SER H H 1 8.119 0.030 . 1 . . . . 30 SER H . 11135 1 290 . 1 1 30 30 SER HA H 1 4.157 0.030 . 1 . . . . 30 SER HA . 11135 1 291 . 1 1 30 30 SER HB2 H 1 3.841 0.030 . 2 . . . . 30 SER HB2 . 11135 1 292 . 1 1 30 30 SER HB3 H 1 3.808 0.030 . 2 . . . . 30 SER HB3 . 11135 1 293 . 1 1 30 30 SER C C 13 172.831 0.300 . 1 . . . . 30 SER C . 11135 1 294 . 1 1 30 30 SER CA C 13 58.491 0.300 . 1 . . . . 30 SER CA . 11135 1 295 . 1 1 30 30 SER CB C 13 60.839 0.300 . 1 . . . . 30 SER CB . 11135 1 296 . 1 1 30 30 SER N N 15 115.666 0.300 . 1 . . . . 30 SER N . 11135 1 297 . 1 1 31 31 LEU H H 1 7.491 0.030 . 1 . . . . 31 LEU H . 11135 1 298 . 1 1 31 31 LEU HA H 1 4.024 0.030 . 1 . . . . 31 LEU HA . 11135 1 299 . 1 1 31 31 LEU HB2 H 1 1.755 0.030 . 2 . . . . 31 LEU HB2 . 11135 1 300 . 1 1 31 31 LEU HB3 H 1 1.228 0.030 . 2 . . . . 31 LEU HB3 . 11135 1 301 . 1 1 31 31 LEU HD11 H 1 0.825 0.030 . 1 . . . . 31 LEU HD1 . 11135 1 302 . 1 1 31 31 LEU HD12 H 1 0.825 0.030 . 1 . . . . 31 LEU HD1 . 11135 1 303 . 1 1 31 31 LEU HD13 H 1 0.825 0.030 . 1 . . . . 31 LEU HD1 . 11135 1 304 . 1 1 31 31 LEU HD21 H 1 0.689 0.030 . 1 . . . . 31 LEU HD2 . 11135 1 305 . 1 1 31 31 LEU HD22 H 1 0.689 0.030 . 1 . . . . 31 LEU HD2 . 11135 1 306 . 1 1 31 31 LEU HD23 H 1 0.689 0.030 . 1 . . . . 31 LEU HD2 . 11135 1 307 . 1 1 31 31 LEU HG H 1 1.759 0.030 . 1 . . . . 31 LEU HG . 11135 1 308 . 1 1 31 31 LEU C C 13 173.612 0.300 . 1 . . . . 31 LEU C . 11135 1 309 . 1 1 31 31 LEU CA C 13 54.283 0.300 . 1 . . . . 31 LEU CA . 11135 1 310 . 1 1 31 31 LEU CB C 13 39.845 0.300 . 1 . . . . 31 LEU CB . 11135 1 311 . 1 1 31 31 LEU CD1 C 13 24.232 0.300 . 2 . . . . 31 LEU CD1 . 11135 1 312 . 1 1 31 31 LEU CD2 C 13 21.313 0.300 . 2 . . . . 31 LEU CD2 . 11135 1 313 . 1 1 31 31 LEU CG C 13 24.445 0.300 . 1 . . . . 31 LEU CG . 11135 1 314 . 1 1 31 31 LEU N N 15 121.600 0.300 . 1 . . . . 31 LEU N . 11135 1 315 . 1 1 32 32 ILE H H 1 7.375 0.030 . 1 . . . . 32 ILE H . 11135 1 316 . 1 1 32 32 ILE HA H 1 3.494 0.030 . 1 . . . . 32 ILE HA . 11135 1 317 . 1 1 32 32 ILE HB H 1 1.460 0.030 . 1 . . . . 32 ILE HB . 11135 1 318 . 1 1 32 32 ILE HD11 H 1 0.341 0.030 . 1 . . . . 32 ILE HD1 . 11135 1 319 . 1 1 32 32 ILE HD12 H 1 0.341 0.030 . 1 . . . . 32 ILE HD1 . 11135 1 320 . 1 1 32 32 ILE HD13 H 1 0.341 0.030 . 1 . . . . 32 ILE HD1 . 11135 1 321 . 1 1 32 32 ILE HG12 H 1 0.822 0.030 . 2 . . . . 32 ILE HG12 . 11135 1 322 . 1 1 32 32 ILE HG13 H 1 0.354 0.030 . 2 . . . . 32 ILE HG13 . 11135 1 323 . 1 1 32 32 ILE HG21 H 1 0.696 0.030 . 1 . . . . 32 ILE HG2 . 11135 1 324 . 1 1 32 32 ILE HG22 H 1 0.696 0.030 . 1 . . . . 32 ILE HG2 . 11135 1 325 . 1 1 32 32 ILE HG23 H 1 0.696 0.030 . 1 . . . . 32 ILE HG2 . 11135 1 326 . 1 1 32 32 ILE C C 13 176.309 0.300 . 1 . . . . 32 ILE C . 11135 1 327 . 1 1 32 32 ILE CA C 13 61.483 0.300 . 1 . . . . 32 ILE CA . 11135 1 328 . 1 1 32 32 ILE CB C 13 37.108 0.300 . 1 . . . . 32 ILE CB . 11135 1 329 . 1 1 32 32 ILE CD1 C 13 11.082 0.300 . 1 . . . . 32 ILE CD1 . 11135 1 330 . 1 1 32 32 ILE CG1 C 13 26.006 0.300 . 1 . . . . 32 ILE CG1 . 11135 1 331 . 1 1 32 32 ILE CG2 C 13 15.184 0.300 . 1 . . . . 32 ILE CG2 . 11135 1 332 . 1 1 32 32 ILE N N 15 115.183 0.300 . 1 . . . . 32 ILE N . 11135 1 333 . 1 1 33 33 GLY H H 1 7.539 0.030 . 1 . . . . 33 GLY H . 11135 1 334 . 1 1 33 33 GLY HA2 H 1 3.854 0.030 . 2 . . . . 33 GLY HA2 . 11135 1 335 . 1 1 33 33 GLY HA3 H 1 3.995 0.030 . 2 . . . . 33 GLY HA3 . 11135 1 336 . 1 1 33 33 GLY CA C 13 42.170 0.300 . 1 . . . . 33 GLY CA . 11135 1 337 . 1 1 33 33 GLY N N 15 104.797 0.300 . 1 . . . . 33 GLY N . 11135 1 338 . 1 1 34 34 THR HA H 1 3.998 0.030 . 1 . . . . 34 THR HA . 11135 1 339 . 1 1 34 34 THR HB H 1 4.041 0.030 . 1 . . . . 34 THR HB . 11135 1 340 . 1 1 34 34 THR HG21 H 1 1.176 0.030 . 1 . . . . 34 THR HG2 . 11135 1 341 . 1 1 34 34 THR HG22 H 1 1.176 0.030 . 1 . . . . 34 THR HG2 . 11135 1 342 . 1 1 34 34 THR HG23 H 1 1.176 0.030 . 1 . . . . 34 THR HG2 . 11135 1 343 . 1 1 34 34 THR CA C 13 62.029 0.300 . 1 . . . . 34 THR CA . 11135 1 344 . 1 1 34 34 THR CB C 13 66.674 0.300 . 1 . . . . 34 THR CB . 11135 1 345 . 1 1 34 34 THR CG2 C 13 19.750 0.300 . 1 . . . . 34 THR CG2 . 11135 1 346 . 1 1 35 35 LYS HA H 1 4.064 0.030 . 1 . . . . 35 LYS HA . 11135 1 347 . 1 1 35 35 LYS HB2 H 1 1.987 0.030 . 2 . . . . 35 LYS HB2 . 11135 1 348 . 1 1 35 35 LYS HB3 H 1 1.784 0.030 . 2 . . . . 35 LYS HB3 . 11135 1 349 . 1 1 35 35 LYS HD2 H 1 1.564 0.030 . 1 . . . . 35 LYS HD2 . 11135 1 350 . 1 1 35 35 LYS HD3 H 1 1.564 0.030 . 1 . . . . 35 LYS HD3 . 11135 1 351 . 1 1 35 35 LYS HE2 H 1 2.876 0.030 . 1 . . . . 35 LYS HE2 . 11135 1 352 . 1 1 35 35 LYS HE3 H 1 2.876 0.030 . 1 . . . . 35 LYS HE3 . 11135 1 353 . 1 1 35 35 LYS HG2 H 1 1.359 0.030 . 2 . . . . 35 LYS HG2 . 11135 1 354 . 1 1 35 35 LYS HG3 H 1 1.307 0.030 . 2 . . . . 35 LYS HG3 . 11135 1 355 . 1 1 35 35 LYS C C 13 174.407 0.300 . 1 . . . . 35 LYS C . 11135 1 356 . 1 1 35 35 LYS CA C 13 54.569 0.300 . 1 . . . . 35 LYS CA . 11135 1 357 . 1 1 35 35 LYS CB C 13 28.759 0.300 . 1 . . . . 35 LYS CB . 11135 1 358 . 1 1 35 35 LYS CD C 13 26.836 0.300 . 1 . . . . 35 LYS CD . 11135 1 359 . 1 1 35 35 LYS CE C 13 39.860 0.300 . 1 . . . . 35 LYS CE . 11135 1 360 . 1 1 35 35 LYS CG C 13 23.045 0.300 . 1 . . . . 35 LYS CG . 11135 1 361 . 1 1 36 36 GLY H H 1 7.843 0.030 . 1 . . . . 36 GLY H . 11135 1 362 . 1 1 36 36 GLY HA2 H 1 3.852 0.030 . 2 . . . . 36 GLY HA2 . 11135 1 363 . 1 1 36 36 GLY HA3 H 1 3.753 0.030 . 2 . . . . 36 GLY HA3 . 11135 1 364 . 1 1 36 36 GLY C C 13 173.863 0.300 . 1 . . . . 36 GLY C . 11135 1 365 . 1 1 36 36 GLY CA C 13 44.237 0.300 . 1 . . . . 36 GLY CA . 11135 1 366 . 1 1 36 36 GLY N N 15 106.405 0.300 . 1 . . . . 36 GLY N . 11135 1 367 . 1 1 37 37 ARG H H 1 7.891 0.030 . 1 . . . . 37 ARG H . 11135 1 368 . 1 1 37 37 ARG HA H 1 3.876 0.030 . 1 . . . . 37 ARG HA . 11135 1 369 . 1 1 37 37 ARG HB2 H 1 1.776 0.030 . 2 . . . . 37 ARG HB2 . 11135 1 370 . 1 1 37 37 ARG HB3 H 1 1.840 0.030 . 2 . . . . 37 ARG HB3 . 11135 1 371 . 1 1 37 37 ARG HD2 H 1 3.118 0.030 . 1 . . . . 37 ARG HD2 . 11135 1 372 . 1 1 37 37 ARG HD3 H 1 3.118 0.030 . 1 . . . . 37 ARG HD3 . 11135 1 373 . 1 1 37 37 ARG HG2 H 1 1.596 0.030 . 1 . . . . 37 ARG HG2 . 11135 1 374 . 1 1 37 37 ARG HG3 H 1 1.596 0.030 . 1 . . . . 37 ARG HG3 . 11135 1 375 . 1 1 37 37 ARG C C 13 176.158 0.300 . 1 . . . . 37 ARG C . 11135 1 376 . 1 1 37 37 ARG CA C 13 56.921 0.300 . 1 . . . . 37 ARG CA . 11135 1 377 . 1 1 37 37 ARG CB C 13 27.928 0.300 . 1 . . . . 37 ARG CB . 11135 1 378 . 1 1 37 37 ARG CD C 13 41.034 0.300 . 1 . . . . 37 ARG CD . 11135 1 379 . 1 1 37 37 ARG CG C 13 25.014 0.300 . 1 . . . . 37 ARG CG . 11135 1 380 . 1 1 37 37 ARG N N 15 118.422 0.300 . 1 . . . . 37 ARG N . 11135 1 381 . 1 1 38 38 LEU H H 1 7.778 0.030 . 1 . . . . 38 LEU H . 11135 1 382 . 1 1 38 38 LEU HA H 1 4.189 0.030 . 1 . . . . 38 LEU HA . 11135 1 383 . 1 1 38 38 LEU HB2 H 1 1.511 0.030 . 2 . . . . 38 LEU HB2 . 11135 1 384 . 1 1 38 38 LEU HB3 H 1 1.591 0.030 . 2 . . . . 38 LEU HB3 . 11135 1 385 . 1 1 38 38 LEU HD11 H 1 0.839 0.030 . 1 . . . . 38 LEU HD1 . 11135 1 386 . 1 1 38 38 LEU HD12 H 1 0.839 0.030 . 1 . . . . 38 LEU HD1 . 11135 1 387 . 1 1 38 38 LEU HD13 H 1 0.839 0.030 . 1 . . . . 38 LEU HD1 . 11135 1 388 . 1 1 38 38 LEU HD21 H 1 0.839 0.030 . 1 . . . . 38 LEU HD2 . 11135 1 389 . 1 1 38 38 LEU HD22 H 1 0.839 0.030 . 1 . . . . 38 LEU HD2 . 11135 1 390 . 1 1 38 38 LEU HD23 H 1 0.839 0.030 . 1 . . . . 38 LEU HD2 . 11135 1 391 . 1 1 38 38 LEU HG H 1 1.539 0.030 . 1 . . . . 38 LEU HG . 11135 1 392 . 1 1 38 38 LEU C C 13 177.314 0.300 . 1 . . . . 38 LEU C . 11135 1 393 . 1 1 38 38 LEU CA C 13 55.284 0.300 . 1 . . . . 38 LEU CA . 11135 1 394 . 1 1 38 38 LEU CB C 13 38.545 0.300 . 1 . . . . 38 LEU CB . 11135 1 395 . 1 1 38 38 LEU CD1 C 13 21.840 0.300 . 1 . . . . 38 LEU CD1 . 11135 1 396 . 1 1 38 38 LEU CD2 C 13 21.840 0.300 . 1 . . . . 38 LEU CD2 . 11135 1 397 . 1 1 38 38 LEU CG C 13 24.889 0.300 . 1 . . . . 38 LEU CG . 11135 1 398 . 1 1 38 38 LEU N N 15 119.734 0.300 . 1 . . . . 38 LEU N . 11135 1 399 . 1 1 39 39 ILE H H 1 7.707 0.030 . 1 . . . . 39 ILE H . 11135 1 400 . 1 1 39 39 ILE HA H 1 3.947 0.030 . 1 . . . . 39 ILE HA . 11135 1 401 . 1 1 39 39 ILE HB H 1 2.034 0.030 . 1 . . . . 39 ILE HB . 11135 1 402 . 1 1 39 39 ILE HD11 H 1 0.811 0.030 . 1 . . . . 39 ILE HD1 . 11135 1 403 . 1 1 39 39 ILE HD12 H 1 0.811 0.030 . 1 . . . . 39 ILE HD1 . 11135 1 404 . 1 1 39 39 ILE HD13 H 1 0.811 0.030 . 1 . . . . 39 ILE HD1 . 11135 1 405 . 1 1 39 39 ILE HG12 H 1 1.329 0.030 . 2 . . . . 39 ILE HG12 . 11135 1 406 . 1 1 39 39 ILE HG13 H 1 1.438 0.030 . 2 . . . . 39 ILE HG13 . 11135 1 407 . 1 1 39 39 ILE HG21 H 1 0.963 0.030 . 1 . . . . 39 ILE HG2 . 11135 1 408 . 1 1 39 39 ILE HG22 H 1 0.963 0.030 . 1 . . . . 39 ILE HG2 . 11135 1 409 . 1 1 39 39 ILE HG23 H 1 0.963 0.030 . 1 . . . . 39 ILE HG2 . 11135 1 410 . 1 1 39 39 ILE C C 13 175.256 0.300 . 1 . . . . 39 ILE C . 11135 1 411 . 1 1 39 39 ILE CA C 13 59.829 0.300 . 1 . . . . 39 ILE CA . 11135 1 412 . 1 1 39 39 ILE CB C 13 35.215 0.300 . 1 . . . . 39 ILE CB . 11135 1 413 . 1 1 39 39 ILE CD1 C 13 11.690 0.300 . 1 . . . . 39 ILE CD1 . 11135 1 414 . 1 1 39 39 ILE CG1 C 13 26.011 0.300 . 1 . . . . 39 ILE CG1 . 11135 1 415 . 1 1 39 39 ILE CG2 C 13 16.420 0.300 . 1 . . . . 39 ILE CG2 . 11135 1 416 . 1 1 39 39 ILE N N 15 118.832 0.300 . 1 . . . . 39 ILE N . 11135 1 417 . 1 1 40 40 ARG H H 1 7.974 0.030 . 1 . . . . 40 ARG H . 11135 1 418 . 1 1 40 40 ARG HA H 1 4.019 0.030 . 1 . . . . 40 ARG HA . 11135 1 419 . 1 1 40 40 ARG HB2 H 1 1.814 0.030 . 1 . . . . 40 ARG HB2 . 11135 1 420 . 1 1 40 40 ARG HB3 H 1 1.814 0.030 . 1 . . . . 40 ARG HB3 . 11135 1 421 . 1 1 40 40 ARG HD2 H 1 3.123 0.030 . 1 . . . . 40 ARG HD2 . 11135 1 422 . 1 1 40 40 ARG HD3 H 1 3.123 0.030 . 1 . . . . 40 ARG HD3 . 11135 1 423 . 1 1 40 40 ARG HG2 H 1 1.508 0.030 . 2 . . . . 40 ARG HG2 . 11135 1 424 . 1 1 40 40 ARG HG3 H 1 1.713 0.030 . 2 . . . . 40 ARG HG3 . 11135 1 425 . 1 1 40 40 ARG C C 13 176.129 0.300 . 1 . . . . 40 ARG C . 11135 1 426 . 1 1 40 40 ARG CA C 13 57.469 0.300 . 1 . . . . 40 ARG CA . 11135 1 427 . 1 1 40 40 ARG CB C 13 27.344 0.300 . 1 . . . . 40 ARG CB . 11135 1 428 . 1 1 40 40 ARG CD C 13 41.014 0.300 . 1 . . . . 40 ARG CD . 11135 1 429 . 1 1 40 40 ARG CG C 13 25.270 0.300 . 1 . . . . 40 ARG CG . 11135 1 430 . 1 1 40 40 ARG N N 15 121.232 0.300 . 1 . . . . 40 ARG N . 11135 1 431 . 1 1 41 41 SER H H 1 7.682 0.030 . 1 . . . . 41 SER H . 11135 1 432 . 1 1 41 41 SER HA H 1 4.239 0.030 . 1 . . . . 41 SER HA . 11135 1 433 . 1 1 41 41 SER HB2 H 1 3.961 0.030 . 1 . . . . 41 SER HB2 . 11135 1 434 . 1 1 41 41 SER HB3 H 1 3.961 0.030 . 1 . . . . 41 SER HB3 . 11135 1 435 . 1 1 41 41 SER C C 13 174.065 0.300 . 1 . . . . 41 SER C . 11135 1 436 . 1 1 41 41 SER CA C 13 59.627 0.300 . 1 . . . . 41 SER CA . 11135 1 437 . 1 1 41 41 SER CB C 13 60.463 0.300 . 1 . . . . 41 SER CB . 11135 1 438 . 1 1 41 41 SER N N 15 114.525 0.300 . 1 . . . . 41 SER N . 11135 1 439 . 1 1 42 42 ILE H H 1 7.566 0.030 . 1 . . . . 42 ILE H . 11135 1 440 . 1 1 42 42 ILE HA H 1 3.724 0.030 . 1 . . . . 42 ILE HA . 11135 1 441 . 1 1 42 42 ILE HB H 1 1.806 0.030 . 1 . . . . 42 ILE HB . 11135 1 442 . 1 1 42 42 ILE HD11 H 1 0.675 0.030 . 1 . . . . 42 ILE HD1 . 11135 1 443 . 1 1 42 42 ILE HD12 H 1 0.675 0.030 . 1 . . . . 42 ILE HD1 . 11135 1 444 . 1 1 42 42 ILE HD13 H 1 0.675 0.030 . 1 . . . . 42 ILE HD1 . 11135 1 445 . 1 1 42 42 ILE HG12 H 1 1.022 0.030 . 2 . . . . 42 ILE HG12 . 11135 1 446 . 1 1 42 42 ILE HG13 H 1 1.739 0.030 . 2 . . . . 42 ILE HG13 . 11135 1 447 . 1 1 42 42 ILE HG21 H 1 0.708 0.030 . 1 . . . . 42 ILE HG2 . 11135 1 448 . 1 1 42 42 ILE HG22 H 1 0.708 0.030 . 1 . . . . 42 ILE HG2 . 11135 1 449 . 1 1 42 42 ILE HG23 H 1 0.708 0.030 . 1 . . . . 42 ILE HG2 . 11135 1 450 . 1 1 42 42 ILE C C 13 175.639 0.300 . 1 . . . . 42 ILE C . 11135 1 451 . 1 1 42 42 ILE CA C 13 62.985 0.300 . 1 . . . . 42 ILE CA . 11135 1 452 . 1 1 42 42 ILE CB C 13 35.802 0.300 . 1 . . . . 42 ILE CB . 11135 1 453 . 1 1 42 42 ILE CD1 C 13 11.266 0.300 . 1 . . . . 42 ILE CD1 . 11135 1 454 . 1 1 42 42 ILE CG1 C 13 25.884 0.300 . 1 . . . . 42 ILE CG1 . 11135 1 455 . 1 1 42 42 ILE CG2 C 13 14.583 0.300 . 1 . . . . 42 ILE CG2 . 11135 1 456 . 1 1 42 42 ILE N N 15 122.135 0.300 . 1 . . . . 42 ILE N . 11135 1 457 . 1 1 43 43 MET H H 1 8.044 0.030 . 1 . . . . 43 MET H . 11135 1 458 . 1 1 43 43 MET HA H 1 3.590 0.030 . 1 . . . . 43 MET HA . 11135 1 459 . 1 1 43 43 MET HB2 H 1 2.149 0.030 . 2 . . . . 43 MET HB2 . 11135 1 460 . 1 1 43 43 MET HB3 H 1 2.180 0.030 . 2 . . . . 43 MET HB3 . 11135 1 461 . 1 1 43 43 MET HE1 H 1 2.066 0.030 . 1 . . . . 43 MET HE . 11135 1 462 . 1 1 43 43 MET HE2 H 1 2.066 0.030 . 1 . . . . 43 MET HE . 11135 1 463 . 1 1 43 43 MET HE3 H 1 2.066 0.030 . 1 . . . . 43 MET HE . 11135 1 464 . 1 1 43 43 MET HG2 H 1 2.422 0.030 . 2 . . . . 43 MET HG2 . 11135 1 465 . 1 1 43 43 MET HG3 H 1 2.591 0.030 . 2 . . . . 43 MET HG3 . 11135 1 466 . 1 1 43 43 MET C C 13 176.100 0.300 . 1 . . . . 43 MET C . 11135 1 467 . 1 1 43 43 MET CA C 13 58.250 0.300 . 1 . . . . 43 MET CA . 11135 1 468 . 1 1 43 43 MET CB C 13 31.187 0.300 . 1 . . . . 43 MET CB . 11135 1 469 . 1 1 43 43 MET CE C 13 14.963 0.300 . 1 . . . . 43 MET CE . 11135 1 470 . 1 1 43 43 MET CG C 13 30.708 0.300 . 1 . . . . 43 MET CG . 11135 1 471 . 1 1 43 43 MET N N 15 117.254 0.300 . 1 . . . . 43 MET N . 11135 1 472 . 1 1 44 44 GLU H H 1 8.034 0.030 . 1 . . . . 44 GLU H . 11135 1 473 . 1 1 44 44 GLU HA H 1 3.875 0.030 . 1 . . . . 44 GLU HA . 11135 1 474 . 1 1 44 44 GLU HB2 H 1 2.048 0.030 . 2 . . . . 44 GLU HB2 . 11135 1 475 . 1 1 44 44 GLU HB3 H 1 1.981 0.030 . 2 . . . . 44 GLU HB3 . 11135 1 476 . 1 1 44 44 GLU HG2 H 1 2.361 0.030 . 2 . . . . 44 GLU HG2 . 11135 1 477 . 1 1 44 44 GLU HG3 H 1 2.187 0.030 . 2 . . . . 44 GLU HG3 . 11135 1 478 . 1 1 44 44 GLU C C 13 176.887 0.300 . 1 . . . . 44 GLU C . 11135 1 479 . 1 1 44 44 GLU CA C 13 56.731 0.300 . 1 . . . . 44 GLU CA . 11135 1 480 . 1 1 44 44 GLU CB C 13 27.485 0.300 . 1 . . . . 44 GLU CB . 11135 1 481 . 1 1 44 44 GLU CG C 13 34.258 0.300 . 1 . . . . 44 GLU CG . 11135 1 482 . 1 1 44 44 GLU N N 15 116.706 0.300 . 1 . . . . 44 GLU N . 11135 1 483 . 1 1 45 45 GLU H H 1 8.051 0.030 . 1 . . . . 45 GLU H . 11135 1 484 . 1 1 45 45 GLU HA H 1 4.152 0.030 . 1 . . . . 45 GLU HA . 11135 1 485 . 1 1 45 45 GLU HB2 H 1 2.108 0.030 . 1 . . . . 45 GLU HB2 . 11135 1 486 . 1 1 45 45 GLU HB3 H 1 2.108 0.030 . 1 . . . . 45 GLU HB3 . 11135 1 487 . 1 1 45 45 GLU HG2 H 1 2.278 0.030 . 2 . . . . 45 GLU HG2 . 11135 1 488 . 1 1 45 45 GLU HG3 H 1 2.375 0.030 . 2 . . . . 45 GLU HG3 . 11135 1 489 . 1 1 45 45 GLU C C 13 175.480 0.300 . 1 . . . . 45 GLU C . 11135 1 490 . 1 1 45 45 GLU CA C 13 55.878 0.300 . 1 . . . . 45 GLU CA . 11135 1 491 . 1 1 45 45 GLU CB C 13 27.854 0.300 . 1 . . . . 45 GLU CB . 11135 1 492 . 1 1 45 45 GLU CG C 13 34.310 0.300 . 1 . . . . 45 GLU CG . 11135 1 493 . 1 1 45 45 GLU N N 15 118.498 0.300 . 1 . . . . 45 GLU N . 11135 1 494 . 1 1 46 46 CYS H H 1 7.660 0.030 . 1 . . . . 46 CYS H . 11135 1 495 . 1 1 46 46 CYS HA H 1 4.577 0.030 . 1 . . . . 46 CYS HA . 11135 1 496 . 1 1 46 46 CYS HB2 H 1 2.783 0.030 . 2 . . . . 46 CYS HB2 . 11135 1 497 . 1 1 46 46 CYS HB3 H 1 2.891 0.030 . 2 . . . . 46 CYS HB3 . 11135 1 498 . 1 1 46 46 CYS C C 13 172.482 0.300 . 1 . . . . 46 CYS C . 11135 1 499 . 1 1 46 46 CYS CA C 13 55.534 0.300 . 1 . . . . 46 CYS CA . 11135 1 500 . 1 1 46 46 CYS CB C 13 25.258 0.300 . 1 . . . . 46 CYS CB . 11135 1 501 . 1 1 46 46 CYS N N 15 117.061 0.300 . 1 . . . . 46 CYS N . 11135 1 502 . 1 1 47 47 GLY H H 1 7.363 0.030 . 1 . . . . 47 GLY H . 11135 1 503 . 1 1 47 47 GLY HA2 H 1 3.688 0.030 . 2 . . . . 47 GLY HA2 . 11135 1 504 . 1 1 47 47 GLY HA3 H 1 3.771 0.030 . 2 . . . . 47 GLY HA3 . 11135 1 505 . 1 1 47 47 GLY C C 13 173.173 0.300 . 1 . . . . 47 GLY C . 11135 1 506 . 1 1 47 47 GLY CA C 13 44.487 0.300 . 1 . . . . 47 GLY CA . 11135 1 507 . 1 1 47 47 GLY N N 15 103.828 0.300 . 1 . . . . 47 GLY N . 11135 1 508 . 1 1 48 48 GLY H H 1 8.565 0.030 . 1 . . . . 48 GLY H . 11135 1 509 . 1 1 48 48 GLY HA2 H 1 3.840 0.030 . 2 . . . . 48 GLY HA2 . 11135 1 510 . 1 1 48 48 GLY HA3 H 1 3.562 0.030 . 2 . . . . 48 GLY HA3 . 11135 1 511 . 1 1 48 48 GLY C C 13 173.257 0.300 . 1 . . . . 48 GLY C . 11135 1 512 . 1 1 48 48 GLY CA C 13 43.714 0.300 . 1 . . . . 48 GLY CA . 11135 1 513 . 1 1 48 48 GLY N N 15 108.046 0.300 . 1 . . . . 48 GLY N . 11135 1 514 . 1 1 49 49 VAL H H 1 6.691 0.030 . 1 . . . . 49 VAL H . 11135 1 515 . 1 1 49 49 VAL HA H 1 4.204 0.030 . 1 . . . . 49 VAL HA . 11135 1 516 . 1 1 49 49 VAL HB H 1 1.980 0.030 . 1 . . . . 49 VAL HB . 11135 1 517 . 1 1 49 49 VAL HG11 H 1 0.815 0.030 . 1 . . . . 49 VAL HG1 . 11135 1 518 . 1 1 49 49 VAL HG12 H 1 0.815 0.030 . 1 . . . . 49 VAL HG1 . 11135 1 519 . 1 1 49 49 VAL HG13 H 1 0.815 0.030 . 1 . . . . 49 VAL HG1 . 11135 1 520 . 1 1 49 49 VAL HG21 H 1 0.624 0.030 . 1 . . . . 49 VAL HG2 . 11135 1 521 . 1 1 49 49 VAL HG22 H 1 0.624 0.030 . 1 . . . . 49 VAL HG2 . 11135 1 522 . 1 1 49 49 VAL HG23 H 1 0.624 0.030 . 1 . . . . 49 VAL HG2 . 11135 1 523 . 1 1 49 49 VAL C C 13 171.017 0.300 . 1 . . . . 49 VAL C . 11135 1 524 . 1 1 49 49 VAL CA C 13 59.221 0.300 . 1 . . . . 49 VAL CA . 11135 1 525 . 1 1 49 49 VAL CB C 13 29.862 0.300 . 1 . . . . 49 VAL CB . 11135 1 526 . 1 1 49 49 VAL CG1 C 13 20.254 0.300 . 2 . . . . 49 VAL CG1 . 11135 1 527 . 1 1 49 49 VAL CG2 C 13 17.352 0.300 . 2 . . . . 49 VAL CG2 . 11135 1 528 . 1 1 49 49 VAL N N 15 112.662 0.300 . 1 . . . . 49 VAL N . 11135 1 529 . 1 1 50 50 HIS H H 1 8.484 0.030 . 1 . . . . 50 HIS H . 11135 1 530 . 1 1 50 50 HIS HA H 1 4.699 0.030 . 1 . . . . 50 HIS HA . 11135 1 531 . 1 1 50 50 HIS HB2 H 1 2.900 0.030 . 1 . . . . 50 HIS HB2 . 11135 1 532 . 1 1 50 50 HIS HB3 H 1 2.900 0.030 . 1 . . . . 50 HIS HB3 . 11135 1 533 . 1 1 50 50 HIS HD2 H 1 6.820 0.030 . 1 . . . . 50 HIS HD2 . 11135 1 534 . 1 1 50 50 HIS HE1 H 1 7.665 0.030 . 1 . . . . 50 HIS HE1 . 11135 1 535 . 1 1 50 50 HIS C C 13 172.149 0.300 . 1 . . . . 50 HIS C . 11135 1 536 . 1 1 50 50 HIS CA C 13 53.314 0.300 . 1 . . . . 50 HIS CA . 11135 1 537 . 1 1 50 50 HIS CB C 13 30.256 0.300 . 1 . . . . 50 HIS CB . 11135 1 538 . 1 1 50 50 HIS CD2 C 13 116.892 0.300 . 1 . . . . 50 HIS CD2 . 11135 1 539 . 1 1 50 50 HIS CE1 C 13 136.197 0.300 . 1 . . . . 50 HIS CE1 . 11135 1 540 . 1 1 50 50 HIS N N 15 119.676 0.300 . 1 . . . . 50 HIS N . 11135 1 541 . 1 1 51 51 ILE H H 1 7.431 0.030 . 1 . . . . 51 ILE H . 11135 1 542 . 1 1 51 51 ILE HA H 1 4.518 0.030 . 1 . . . . 51 ILE HA . 11135 1 543 . 1 1 51 51 ILE HB H 1 1.429 0.030 . 1 . . . . 51 ILE HB . 11135 1 544 . 1 1 51 51 ILE HD11 H 1 0.636 0.030 . 1 . . . . 51 ILE HD1 . 11135 1 545 . 1 1 51 51 ILE HD12 H 1 0.636 0.030 . 1 . . . . 51 ILE HD1 . 11135 1 546 . 1 1 51 51 ILE HD13 H 1 0.636 0.030 . 1 . . . . 51 ILE HD1 . 11135 1 547 . 1 1 51 51 ILE HG12 H 1 1.361 0.030 . 2 . . . . 51 ILE HG12 . 11135 1 548 . 1 1 51 51 ILE HG13 H 1 0.684 0.030 . 2 . . . . 51 ILE HG13 . 11135 1 549 . 1 1 51 51 ILE HG21 H 1 0.364 0.030 . 1 . . . . 51 ILE HG2 . 11135 1 550 . 1 1 51 51 ILE HG22 H 1 0.364 0.030 . 1 . . . . 51 ILE HG2 . 11135 1 551 . 1 1 51 51 ILE HG23 H 1 0.364 0.030 . 1 . . . . 51 ILE HG2 . 11135 1 552 . 1 1 51 51 ILE C C 13 171.543 0.300 . 1 . . . . 51 ILE C . 11135 1 553 . 1 1 51 51 ILE CA C 13 58.202 0.300 . 1 . . . . 51 ILE CA . 11135 1 554 . 1 1 51 51 ILE CB C 13 37.534 0.300 . 1 . . . . 51 ILE CB . 11135 1 555 . 1 1 51 51 ILE CD1 C 13 11.611 0.300 . 1 . . . . 51 ILE CD1 . 11135 1 556 . 1 1 51 51 ILE CG1 C 13 25.682 0.300 . 1 . . . . 51 ILE CG1 . 11135 1 557 . 1 1 51 51 ILE CG2 C 13 15.774 0.300 . 1 . . . . 51 ILE CG2 . 11135 1 558 . 1 1 51 51 ILE N N 15 123.570 0.300 . 1 . . . . 51 ILE N . 11135 1 559 . 1 1 52 52 HIS H H 1 9.203 0.030 . 1 . . . . 52 HIS H . 11135 1 560 . 1 1 52 52 HIS HA H 1 4.809 0.030 . 1 . . . . 52 HIS HA . 11135 1 561 . 1 1 52 52 HIS HB2 H 1 2.797 0.030 . 2 . . . . 52 HIS HB2 . 11135 1 562 . 1 1 52 52 HIS HB3 H 1 2.882 0.030 . 2 . . . . 52 HIS HB3 . 11135 1 563 . 1 1 52 52 HIS HD2 H 1 6.583 0.030 . 1 . . . . 52 HIS HD2 . 11135 1 564 . 1 1 52 52 HIS HE1 H 1 7.752 0.030 . 1 . . . . 52 HIS HE1 . 11135 1 565 . 1 1 52 52 HIS C C 13 172.107 0.300 . 1 . . . . 52 HIS C . 11135 1 566 . 1 1 52 52 HIS CA C 13 52.486 0.300 . 1 . . . . 52 HIS CA . 11135 1 567 . 1 1 52 52 HIS CB C 13 29.931 0.300 . 1 . . . . 52 HIS CB . 11135 1 568 . 1 1 52 52 HIS CD2 C 13 118.334 0.300 . 1 . . . . 52 HIS CD2 . 11135 1 569 . 1 1 52 52 HIS CE1 C 13 135.864 0.300 . 1 . . . . 52 HIS CE1 . 11135 1 570 . 1 1 52 52 HIS N N 15 126.762 0.300 . 1 . . . . 52 HIS N . 11135 1 571 . 1 1 53 53 PHE H H 1 8.821 0.030 . 1 . . . . 53 PHE H . 11135 1 572 . 1 1 53 53 PHE HA H 1 4.383 0.030 . 1 . . . . 53 PHE HA . 11135 1 573 . 1 1 53 53 PHE HB2 H 1 2.763 0.030 . 1 . . . . 53 PHE HB2 . 11135 1 574 . 1 1 53 53 PHE HB3 H 1 2.763 0.030 . 1 . . . . 53 PHE HB3 . 11135 1 575 . 1 1 53 53 PHE HD1 H 1 6.687 0.030 . 1 . . . . 53 PHE HD1 . 11135 1 576 . 1 1 53 53 PHE HD2 H 1 6.687 0.030 . 1 . . . . 53 PHE HD2 . 11135 1 577 . 1 1 53 53 PHE HE1 H 1 6.704 0.030 . 1 . . . . 53 PHE HE1 . 11135 1 578 . 1 1 53 53 PHE HE2 H 1 6.704 0.030 . 1 . . . . 53 PHE HE2 . 11135 1 579 . 1 1 53 53 PHE HZ H 1 6.689 0.030 . 1 . . . . 53 PHE HZ . 11135 1 580 . 1 1 53 53 PHE CA C 13 53.589 0.300 . 1 . . . . 53 PHE CA . 11135 1 581 . 1 1 53 53 PHE CB C 13 36.992 0.300 . 1 . . . . 53 PHE CB . 11135 1 582 . 1 1 53 53 PHE CD1 C 13 129.500 0.300 . 1 . . . . 53 PHE CD1 . 11135 1 583 . 1 1 53 53 PHE CD2 C 13 129.500 0.300 . 1 . . . . 53 PHE CD2 . 11135 1 584 . 1 1 53 53 PHE CE1 C 13 128.229 0.300 . 1 . . . . 53 PHE CE1 . 11135 1 585 . 1 1 53 53 PHE CE2 C 13 128.229 0.300 . 1 . . . . 53 PHE CE2 . 11135 1 586 . 1 1 53 53 PHE CZ C 13 125.602 0.300 . 1 . . . . 53 PHE CZ . 11135 1 587 . 1 1 53 53 PHE N N 15 126.275 0.300 . 1 . . . . 53 PHE N . 11135 1 588 . 1 1 54 54 PRO HA H 1 4.530 0.030 . 1 . . . . 54 PRO HA . 11135 1 589 . 1 1 54 54 PRO HB2 H 1 2.320 0.030 . 2 . . . . 54 PRO HB2 . 11135 1 590 . 1 1 54 54 PRO HB3 H 1 2.114 0.030 . 2 . . . . 54 PRO HB3 . 11135 1 591 . 1 1 54 54 PRO HD2 H 1 3.561 0.030 . 2 . . . . 54 PRO HD2 . 11135 1 592 . 1 1 54 54 PRO HD3 H 1 3.768 0.030 . 2 . . . . 54 PRO HD3 . 11135 1 593 . 1 1 54 54 PRO HG2 H 1 2.082 0.030 . 2 . . . . 54 PRO HG2 . 11135 1 594 . 1 1 54 54 PRO HG3 H 1 2.049 0.030 . 2 . . . . 54 PRO HG3 . 11135 1 595 . 1 1 54 54 PRO C C 13 174.654 0.300 . 1 . . . . 54 PRO C . 11135 1 596 . 1 1 54 54 PRO CA C 13 59.745 0.300 . 1 . . . . 54 PRO CA . 11135 1 597 . 1 1 54 54 PRO CB C 13 29.969 0.300 . 1 . . . . 54 PRO CB . 11135 1 598 . 1 1 54 54 PRO CD C 13 47.697 0.300 . 1 . . . . 54 PRO CD . 11135 1 599 . 1 1 54 54 PRO CG C 13 25.157 0.300 . 1 . . . . 54 PRO CG . 11135 1 600 . 1 1 55 55 VAL H H 1 8.388 0.030 . 1 . . . . 55 VAL H . 11135 1 601 . 1 1 55 55 VAL HA H 1 3.848 0.030 . 1 . . . . 55 VAL HA . 11135 1 602 . 1 1 55 55 VAL HB H 1 1.967 0.030 . 1 . . . . 55 VAL HB . 11135 1 603 . 1 1 55 55 VAL HG11 H 1 0.967 0.030 . 1 . . . . 55 VAL HG1 . 11135 1 604 . 1 1 55 55 VAL HG12 H 1 0.967 0.030 . 1 . . . . 55 VAL HG1 . 11135 1 605 . 1 1 55 55 VAL HG13 H 1 0.967 0.030 . 1 . . . . 55 VAL HG1 . 11135 1 606 . 1 1 55 55 VAL HG21 H 1 0.987 0.030 . 1 . . . . 55 VAL HG2 . 11135 1 607 . 1 1 55 55 VAL HG22 H 1 0.987 0.030 . 1 . . . . 55 VAL HG2 . 11135 1 608 . 1 1 55 55 VAL HG23 H 1 0.987 0.030 . 1 . . . . 55 VAL HG2 . 11135 1 609 . 1 1 55 55 VAL C C 13 174.457 0.300 . 1 . . . . 55 VAL C . 11135 1 610 . 1 1 55 55 VAL CA C 13 60.406 0.300 . 1 . . . . 55 VAL CA . 11135 1 611 . 1 1 55 55 VAL CB C 13 30.339 0.300 . 1 . . . . 55 VAL CB . 11135 1 612 . 1 1 55 55 VAL CG1 C 13 18.785 0.300 . 2 . . . . 55 VAL CG1 . 11135 1 613 . 1 1 55 55 VAL CG2 C 13 19.057 0.300 . 2 . . . . 55 VAL CG2 . 11135 1 614 . 1 1 55 55 VAL N N 15 120.005 0.300 . 1 . . . . 55 VAL N . 11135 1 615 . 1 1 56 56 GLU H H 1 8.697 0.030 . 1 . . . . 56 GLU H . 11135 1 616 . 1 1 56 56 GLU HA H 1 4.076 0.030 . 1 . . . . 56 GLU HA . 11135 1 617 . 1 1 56 56 GLU HB2 H 1 2.045 0.030 . 2 . . . . 56 GLU HB2 . 11135 1 618 . 1 1 56 56 GLU HB3 H 1 1.880 0.030 . 2 . . . . 56 GLU HB3 . 11135 1 619 . 1 1 56 56 GLU HG2 H 1 2.168 0.030 . 2 . . . . 56 GLU HG2 . 11135 1 620 . 1 1 56 56 GLU HG3 H 1 2.233 0.030 . 2 . . . . 56 GLU HG3 . 11135 1 621 . 1 1 56 56 GLU C C 13 175.193 0.300 . 1 . . . . 56 GLU C . 11135 1 622 . 1 1 56 56 GLU CA C 13 55.931 0.300 . 1 . . . . 56 GLU CA . 11135 1 623 . 1 1 56 56 GLU CB C 13 27.165 0.300 . 1 . . . . 56 GLU CB . 11135 1 624 . 1 1 56 56 GLU CG C 13 33.620 0.300 . 1 . . . . 56 GLU CG . 11135 1 625 . 1 1 56 56 GLU N N 15 127.841 0.300 . 1 . . . . 56 GLU N . 11135 1 626 . 1 1 57 57 GLY H H 1 8.914 0.030 . 1 . . . . 57 GLY H . 11135 1 627 . 1 1 57 57 GLY HA2 H 1 4.206 0.030 . 2 . . . . 57 GLY HA2 . 11135 1 628 . 1 1 57 57 GLY HA3 H 1 3.672 0.030 . 2 . . . . 57 GLY HA3 . 11135 1 629 . 1 1 57 57 GLY C C 13 173.158 0.300 . 1 . . . . 57 GLY C . 11135 1 630 . 1 1 57 57 GLY CA C 13 42.947 0.300 . 1 . . . . 57 GLY CA . 11135 1 631 . 1 1 57 57 GLY N N 15 114.395 0.300 . 1 . . . . 57 GLY N . 11135 1 632 . 1 1 58 58 SER H H 1 8.209 0.030 . 1 . . . . 58 SER H . 11135 1 633 . 1 1 58 58 SER HA H 1 4.124 0.030 . 1 . . . . 58 SER HA . 11135 1 634 . 1 1 58 58 SER HB2 H 1 3.937 0.030 . 1 . . . . 58 SER HB2 . 11135 1 635 . 1 1 58 58 SER HB3 H 1 3.937 0.030 . 1 . . . . 58 SER HB3 . 11135 1 636 . 1 1 58 58 SER C C 13 173.785 0.300 . 1 . . . . 58 SER C . 11135 1 637 . 1 1 58 58 SER CA C 13 57.930 0.300 . 1 . . . . 58 SER CA . 11135 1 638 . 1 1 58 58 SER CB C 13 62.041 0.300 . 1 . . . . 58 SER CB . 11135 1 639 . 1 1 58 58 SER N N 15 115.038 0.300 . 1 . . . . 58 SER N . 11135 1 640 . 1 1 59 59 GLY H H 1 8.708 0.030 . 1 . . . . 59 GLY H . 11135 1 641 . 1 1 59 59 GLY HA2 H 1 4.003 0.030 . 2 . . . . 59 GLY HA2 . 11135 1 642 . 1 1 59 59 GLY HA3 H 1 3.574 0.030 . 2 . . . . 59 GLY HA3 . 11135 1 643 . 1 1 59 59 GLY C C 13 171.368 0.300 . 1 . . . . 59 GLY C . 11135 1 644 . 1 1 59 59 GLY CA C 13 43.238 0.300 . 1 . . . . 59 GLY CA . 11135 1 645 . 1 1 59 59 GLY N N 15 110.930 0.300 . 1 . . . . 59 GLY N . 11135 1 646 . 1 1 60 60 SER H H 1 7.551 0.030 . 1 . . . . 60 SER H . 11135 1 647 . 1 1 60 60 SER HA H 1 4.477 0.030 . 1 . . . . 60 SER HA . 11135 1 648 . 1 1 60 60 SER HB2 H 1 3.639 0.030 . 2 . . . . 60 SER HB2 . 11135 1 649 . 1 1 60 60 SER HB3 H 1 3.747 0.030 . 2 . . . . 60 SER HB3 . 11135 1 650 . 1 1 60 60 SER C C 13 171.950 0.300 . 1 . . . . 60 SER C . 11135 1 651 . 1 1 60 60 SER CA C 13 54.461 0.300 . 1 . . . . 60 SER CA . 11135 1 652 . 1 1 60 60 SER CB C 13 61.896 0.300 . 1 . . . . 60 SER CB . 11135 1 653 . 1 1 60 60 SER N N 15 112.966 0.300 . 1 . . . . 60 SER N . 11135 1 654 . 1 1 61 61 ASP H H 1 8.491 0.030 . 1 . . . . 61 ASP H . 11135 1 655 . 1 1 61 61 ASP HA H 1 4.901 0.030 . 1 . . . . 61 ASP HA . 11135 1 656 . 1 1 61 61 ASP HB2 H 1 2.785 0.030 . 2 . . . . 61 ASP HB2 . 11135 1 657 . 1 1 61 61 ASP HB3 H 1 2.482 0.030 . 2 . . . . 61 ASP HB3 . 11135 1 658 . 1 1 61 61 ASP C C 13 173.190 0.300 . 1 . . . . 61 ASP C . 11135 1 659 . 1 1 61 61 ASP CA C 13 51.457 0.300 . 1 . . . . 61 ASP CA . 11135 1 660 . 1 1 61 61 ASP CB C 13 39.835 0.300 . 1 . . . . 61 ASP CB . 11135 1 661 . 1 1 61 61 ASP N N 15 125.304 0.300 . 1 . . . . 61 ASP N . 11135 1 662 . 1 1 62 62 THR H H 1 8.115 0.030 . 1 . . . . 62 THR H . 11135 1 663 . 1 1 62 62 THR HA H 1 4.101 0.030 . 1 . . . . 62 THR HA . 11135 1 664 . 1 1 62 62 THR HB H 1 3.775 0.030 . 1 . . . . 62 THR HB . 11135 1 665 . 1 1 62 62 THR HG21 H 1 0.895 0.030 . 1 . . . . 62 THR HG2 . 11135 1 666 . 1 1 62 62 THR HG22 H 1 0.895 0.030 . 1 . . . . 62 THR HG2 . 11135 1 667 . 1 1 62 62 THR HG23 H 1 0.895 0.030 . 1 . . . . 62 THR HG2 . 11135 1 668 . 1 1 62 62 THR C C 13 170.584 0.300 . 1 . . . . 62 THR C . 11135 1 669 . 1 1 62 62 THR CA C 13 62.139 0.300 . 1 . . . . 62 THR CA . 11135 1 670 . 1 1 62 62 THR CB C 13 67.138 0.300 . 1 . . . . 62 THR CB . 11135 1 671 . 1 1 62 62 THR CG2 C 13 20.055 0.300 . 1 . . . . 62 THR CG2 . 11135 1 672 . 1 1 62 62 THR N N 15 116.947 0.300 . 1 . . . . 62 THR N . 11135 1 673 . 1 1 63 63 VAL H H 1 8.871 0.030 . 1 . . . . 63 VAL H . 11135 1 674 . 1 1 63 63 VAL HA H 1 3.891 0.030 . 1 . . . . 63 VAL HA . 11135 1 675 . 1 1 63 63 VAL HB H 1 1.544 0.030 . 1 . . . . 63 VAL HB . 11135 1 676 . 1 1 63 63 VAL HG11 H 1 -0.181 0.030 . 1 . . . . 63 VAL HG1 . 11135 1 677 . 1 1 63 63 VAL HG12 H 1 -0.181 0.030 . 1 . . . . 63 VAL HG1 . 11135 1 678 . 1 1 63 63 VAL HG13 H 1 -0.181 0.030 . 1 . . . . 63 VAL HG1 . 11135 1 679 . 1 1 63 63 VAL HG21 H 1 0.125 0.030 . 1 . . . . 63 VAL HG2 . 11135 1 680 . 1 1 63 63 VAL HG22 H 1 0.125 0.030 . 1 . . . . 63 VAL HG2 . 11135 1 681 . 1 1 63 63 VAL HG23 H 1 0.125 0.030 . 1 . . . . 63 VAL HG2 . 11135 1 682 . 1 1 63 63 VAL C C 13 171.873 0.300 . 1 . . . . 63 VAL C . 11135 1 683 . 1 1 63 63 VAL CA C 13 58.858 0.300 . 1 . . . . 63 VAL CA . 11135 1 684 . 1 1 63 63 VAL CB C 13 30.632 0.300 . 1 . . . . 63 VAL CB . 11135 1 685 . 1 1 63 63 VAL CG1 C 13 17.902 0.300 . 2 . . . . 63 VAL CG1 . 11135 1 686 . 1 1 63 63 VAL CG2 C 13 20.000 0.300 . 2 . . . . 63 VAL CG2 . 11135 1 687 . 1 1 63 63 VAL N N 15 129.958 0.300 . 1 . . . . 63 VAL N . 11135 1 688 . 1 1 64 64 VAL H H 1 7.855 0.030 . 1 . . . . 64 VAL H . 11135 1 689 . 1 1 64 64 VAL HA H 1 4.699 0.030 . 1 . . . . 64 VAL HA . 11135 1 690 . 1 1 64 64 VAL HB H 1 1.659 0.030 . 1 . . . . 64 VAL HB . 11135 1 691 . 1 1 64 64 VAL HG11 H 1 0.714 0.030 . 1 . . . . 64 VAL HG1 . 11135 1 692 . 1 1 64 64 VAL HG12 H 1 0.714 0.030 . 1 . . . . 64 VAL HG1 . 11135 1 693 . 1 1 64 64 VAL HG13 H 1 0.714 0.030 . 1 . . . . 64 VAL HG1 . 11135 1 694 . 1 1 64 64 VAL HG21 H 1 0.772 0.030 . 1 . . . . 64 VAL HG2 . 11135 1 695 . 1 1 64 64 VAL HG22 H 1 0.772 0.030 . 1 . . . . 64 VAL HG2 . 11135 1 696 . 1 1 64 64 VAL HG23 H 1 0.772 0.030 . 1 . . . . 64 VAL HG2 . 11135 1 697 . 1 1 64 64 VAL C C 13 172.421 0.300 . 1 . . . . 64 VAL C . 11135 1 698 . 1 1 64 64 VAL CA C 13 58.903 0.300 . 1 . . . . 64 VAL CA . 11135 1 699 . 1 1 64 64 VAL CB C 13 32.087 0.300 . 1 . . . . 64 VAL CB . 11135 1 700 . 1 1 64 64 VAL CG1 C 13 19.012 0.300 . 2 . . . . 64 VAL CG1 . 11135 1 701 . 1 1 64 64 VAL CG2 C 13 19.428 0.300 . 2 . . . . 64 VAL CG2 . 11135 1 702 . 1 1 64 64 VAL N N 15 125.333 0.300 . 1 . . . . 64 VAL N . 11135 1 703 . 1 1 65 65 ILE H H 1 8.813 0.030 . 1 . . . . 65 ILE H . 11135 1 704 . 1 1 65 65 ILE HA H 1 4.887 0.030 . 1 . . . . 65 ILE HA . 11135 1 705 . 1 1 65 65 ILE HB H 1 1.526 0.030 . 1 . . . . 65 ILE HB . 11135 1 706 . 1 1 65 65 ILE HD11 H 1 0.491 0.030 . 1 . . . . 65 ILE HD1 . 11135 1 707 . 1 1 65 65 ILE HD12 H 1 0.491 0.030 . 1 . . . . 65 ILE HD1 . 11135 1 708 . 1 1 65 65 ILE HD13 H 1 0.491 0.030 . 1 . . . . 65 ILE HD1 . 11135 1 709 . 1 1 65 65 ILE HG12 H 1 1.377 0.030 . 2 . . . . 65 ILE HG12 . 11135 1 710 . 1 1 65 65 ILE HG13 H 1 0.563 0.030 . 2 . . . . 65 ILE HG13 . 11135 1 711 . 1 1 65 65 ILE HG21 H 1 0.723 0.030 . 1 . . . . 65 ILE HG2 . 11135 1 712 . 1 1 65 65 ILE HG22 H 1 0.723 0.030 . 1 . . . . 65 ILE HG2 . 11135 1 713 . 1 1 65 65 ILE HG23 H 1 0.723 0.030 . 1 . . . . 65 ILE HG2 . 11135 1 714 . 1 1 65 65 ILE C C 13 172.079 0.300 . 1 . . . . 65 ILE C . 11135 1 715 . 1 1 65 65 ILE CA C 13 57.688 0.300 . 1 . . . . 65 ILE CA . 11135 1 716 . 1 1 65 65 ILE CB C 13 37.330 0.300 . 1 . . . . 65 ILE CB . 11135 1 717 . 1 1 65 65 ILE CD1 C 13 11.668 0.300 . 1 . . . . 65 ILE CD1 . 11135 1 718 . 1 1 65 65 ILE CG1 C 13 24.528 0.300 . 1 . . . . 65 ILE CG1 . 11135 1 719 . 1 1 65 65 ILE CG2 C 13 16.697 0.300 . 1 . . . . 65 ILE CG2 . 11135 1 720 . 1 1 65 65 ILE N N 15 126.595 0.300 . 1 . . . . 65 ILE N . 11135 1 721 . 1 1 66 66 ARG H H 1 8.897 0.030 . 1 . . . . 66 ARG H . 11135 1 722 . 1 1 66 66 ARG HA H 1 5.672 0.030 . 1 . . . . 66 ARG HA . 11135 1 723 . 1 1 66 66 ARG HB2 H 1 1.571 0.030 . 2 . . . . 66 ARG HB2 . 11135 1 724 . 1 1 66 66 ARG HB3 H 1 1.690 0.030 . 2 . . . . 66 ARG HB3 . 11135 1 725 . 1 1 66 66 ARG HD2 H 1 3.032 0.030 . 2 . . . . 66 ARG HD2 . 11135 1 726 . 1 1 66 66 ARG HD3 H 1 3.100 0.030 . 2 . . . . 66 ARG HD3 . 11135 1 727 . 1 1 66 66 ARG HG2 H 1 1.408 0.030 . 2 . . . . 66 ARG HG2 . 11135 1 728 . 1 1 66 66 ARG HG3 H 1 1.519 0.030 . 2 . . . . 66 ARG HG3 . 11135 1 729 . 1 1 66 66 ARG C C 13 173.120 0.300 . 1 . . . . 66 ARG C . 11135 1 730 . 1 1 66 66 ARG CA C 13 51.840 0.300 . 1 . . . . 66 ARG CA . 11135 1 731 . 1 1 66 66 ARG CB C 13 32.853 0.300 . 1 . . . . 66 ARG CB . 11135 1 732 . 1 1 66 66 ARG CD C 13 41.014 0.300 . 1 . . . . 66 ARG CD . 11135 1 733 . 1 1 66 66 ARG CG C 13 26.011 0.300 . 1 . . . . 66 ARG CG . 11135 1 734 . 1 1 66 66 ARG N N 15 124.918 0.300 . 1 . . . . 66 ARG N . 11135 1 735 . 1 1 67 67 GLY H H 1 8.580 0.030 . 1 . . . . 67 GLY H . 11135 1 736 . 1 1 67 67 GLY HA2 H 1 4.305 0.030 . 2 . . . . 67 GLY HA2 . 11135 1 737 . 1 1 67 67 GLY HA3 H 1 3.989 0.030 . 2 . . . . 67 GLY HA3 . 11135 1 738 . 1 1 67 67 GLY C C 13 166.229 0.300 . 1 . . . . 67 GLY C . 11135 1 739 . 1 1 67 67 GLY CA C 13 42.698 0.300 . 1 . . . . 67 GLY CA . 11135 1 740 . 1 1 67 67 GLY N N 15 111.576 0.300 . 1 . . . . 67 GLY N . 11135 1 741 . 1 1 68 68 PRO HA H 1 4.516 0.030 . 1 . . . . 68 PRO HA . 11135 1 742 . 1 1 68 68 PRO HB2 H 1 2.373 0.030 . 2 . . . . 68 PRO HB2 . 11135 1 743 . 1 1 68 68 PRO HB3 H 1 2.005 0.030 . 2 . . . . 68 PRO HB3 . 11135 1 744 . 1 1 68 68 PRO HD2 H 1 3.370 0.030 . 2 . . . . 68 PRO HD2 . 11135 1 745 . 1 1 68 68 PRO HD3 H 1 3.631 0.030 . 2 . . . . 68 PRO HD3 . 11135 1 746 . 1 1 68 68 PRO HG2 H 1 1.882 0.030 . 2 . . . . 68 PRO HG2 . 11135 1 747 . 1 1 68 68 PRO HG3 H 1 2.238 0.030 . 2 . . . . 68 PRO HG3 . 11135 1 748 . 1 1 68 68 PRO C C 13 176.830 0.300 . 1 . . . . 68 PRO C . 11135 1 749 . 1 1 68 68 PRO CA C 13 61.066 0.300 . 1 . . . . 68 PRO CA . 11135 1 750 . 1 1 68 68 PRO CB C 13 29.678 0.300 . 1 . . . . 68 PRO CB . 11135 1 751 . 1 1 68 68 PRO CD C 13 47.482 0.300 . 1 . . . . 68 PRO CD . 11135 1 752 . 1 1 68 68 PRO CG C 13 26.176 0.300 . 1 . . . . 68 PRO CG . 11135 1 753 . 1 1 69 69 SER H H 1 8.739 0.030 . 1 . . . . 69 SER H . 11135 1 754 . 1 1 69 69 SER HB2 H 1 3.799 0.030 . 1 . . . . 69 SER HB2 . 11135 1 755 . 1 1 69 69 SER HB3 H 1 3.799 0.030 . 1 . . . . 69 SER HB3 . 11135 1 756 . 1 1 69 69 SER C C 13 174.002 0.300 . 1 . . . . 69 SER C . 11135 1 757 . 1 1 69 69 SER CB C 13 60.560 0.300 . 1 . . . . 69 SER CB . 11135 1 758 . 1 1 69 69 SER N N 15 119.423 0.300 . 1 . . . . 69 SER N . 11135 1 759 . 1 1 70 70 SER HA H 1 4.112 0.030 . 1 . . . . 70 SER HA . 11135 1 760 . 1 1 70 70 SER HB2 H 1 3.769 0.030 . 2 . . . . 70 SER HB2 . 11135 1 761 . 1 1 70 70 SER HB3 H 1 3.811 0.030 . 2 . . . . 70 SER HB3 . 11135 1 762 . 1 1 70 70 SER C C 13 174.584 0.300 . 1 . . . . 70 SER C . 11135 1 763 . 1 1 70 70 SER CA C 13 59.231 0.300 . 1 . . . . 70 SER CA . 11135 1 764 . 1 1 70 70 SER CB C 13 59.972 0.300 . 1 . . . . 70 SER CB . 11135 1 765 . 1 1 71 71 ASP H H 1 7.017 0.030 . 1 . . . . 71 ASP H . 11135 1 766 . 1 1 71 71 ASP HA H 1 4.471 0.030 . 1 . . . . 71 ASP HA . 11135 1 767 . 1 1 71 71 ASP HB2 H 1 2.901 0.030 . 2 . . . . 71 ASP HB2 . 11135 1 768 . 1 1 71 71 ASP HB3 H 1 2.265 0.030 . 2 . . . . 71 ASP HB3 . 11135 1 769 . 1 1 71 71 ASP C C 13 175.635 0.300 . 1 . . . . 71 ASP C . 11135 1 770 . 1 1 71 71 ASP CA C 13 55.058 0.300 . 1 . . . . 71 ASP CA . 11135 1 771 . 1 1 71 71 ASP CB C 13 39.605 0.300 . 1 . . . . 71 ASP CB . 11135 1 772 . 1 1 71 71 ASP N N 15 122.521 0.300 . 1 . . . . 71 ASP N . 11135 1 773 . 1 1 72 72 VAL H H 1 8.126 0.030 . 1 . . . . 72 VAL H . 11135 1 774 . 1 1 72 72 VAL HA H 1 3.302 0.030 . 1 . . . . 72 VAL HA . 11135 1 775 . 1 1 72 72 VAL HB H 1 1.952 0.030 . 1 . . . . 72 VAL HB . 11135 1 776 . 1 1 72 72 VAL HG11 H 1 0.605 0.030 . 1 . . . . 72 VAL HG1 . 11135 1 777 . 1 1 72 72 VAL HG12 H 1 0.605 0.030 . 1 . . . . 72 VAL HG1 . 11135 1 778 . 1 1 72 72 VAL HG13 H 1 0.605 0.030 . 1 . . . . 72 VAL HG1 . 11135 1 779 . 1 1 72 72 VAL HG21 H 1 0.668 0.030 . 1 . . . . 72 VAL HG2 . 11135 1 780 . 1 1 72 72 VAL HG22 H 1 0.668 0.030 . 1 . . . . 72 VAL HG2 . 11135 1 781 . 1 1 72 72 VAL HG23 H 1 0.668 0.030 . 1 . . . . 72 VAL HG2 . 11135 1 782 . 1 1 72 72 VAL C C 13 175.070 0.300 . 1 . . . . 72 VAL C . 11135 1 783 . 1 1 72 72 VAL CA C 13 64.085 0.300 . 1 . . . . 72 VAL CA . 11135 1 784 . 1 1 72 72 VAL CB C 13 28.732 0.300 . 1 . . . . 72 VAL CB . 11135 1 785 . 1 1 72 72 VAL CG1 C 13 19.621 0.300 . 2 . . . . 72 VAL CG1 . 11135 1 786 . 1 1 72 72 VAL CG2 C 13 21.538 0.300 . 2 . . . . 72 VAL CG2 . 11135 1 787 . 1 1 72 72 VAL N N 15 120.196 0.300 . 1 . . . . 72 VAL N . 11135 1 788 . 1 1 73 73 GLU H H 1 7.664 0.030 . 1 . . . . 73 GLU H . 11135 1 789 . 1 1 73 73 GLU HA H 1 3.872 0.030 . 1 . . . . 73 GLU HA . 11135 1 790 . 1 1 73 73 GLU HB2 H 1 1.943 0.030 . 1 . . . . 73 GLU HB2 . 11135 1 791 . 1 1 73 73 GLU HB3 H 1 1.943 0.030 . 1 . . . . 73 GLU HB3 . 11135 1 792 . 1 1 73 73 GLU HG2 H 1 2.215 0.030 . 1 . . . . 73 GLU HG2 . 11135 1 793 . 1 1 73 73 GLU HG3 H 1 2.215 0.030 . 1 . . . . 73 GLU HG3 . 11135 1 794 . 1 1 73 73 GLU C C 13 176.577 0.300 . 1 . . . . 73 GLU C . 11135 1 795 . 1 1 73 73 GLU CA C 13 56.727 0.300 . 1 . . . . 73 GLU CA . 11135 1 796 . 1 1 73 73 GLU CB C 13 26.671 0.300 . 1 . . . . 73 GLU CB . 11135 1 797 . 1 1 73 73 GLU CG C 13 33.186 0.300 . 1 . . . . 73 GLU CG . 11135 1 798 . 1 1 73 73 GLU N N 15 117.949 0.300 . 1 . . . . 73 GLU N . 11135 1 799 . 1 1 74 74 LYS H H 1 7.263 0.030 . 1 . . . . 74 LYS H . 11135 1 800 . 1 1 74 74 LYS HA H 1 3.898 0.030 . 1 . . . . 74 LYS HA . 11135 1 801 . 1 1 74 74 LYS HB2 H 1 1.887 0.030 . 1 . . . . 74 LYS HB2 . 11135 1 802 . 1 1 74 74 LYS HB3 H 1 1.887 0.030 . 1 . . . . 74 LYS HB3 . 11135 1 803 . 1 1 74 74 LYS HD2 H 1 1.659 0.030 . 1 . . . . 74 LYS HD2 . 11135 1 804 . 1 1 74 74 LYS HD3 H 1 1.659 0.030 . 1 . . . . 74 LYS HD3 . 11135 1 805 . 1 1 74 74 LYS HE2 H 1 2.893 0.030 . 1 . . . . 74 LYS HE2 . 11135 1 806 . 1 1 74 74 LYS HE3 H 1 2.893 0.030 . 1 . . . . 74 LYS HE3 . 11135 1 807 . 1 1 74 74 LYS HG2 H 1 1.509 0.030 . 2 . . . . 74 LYS HG2 . 11135 1 808 . 1 1 74 74 LYS HG3 H 1 1.354 0.030 . 2 . . . . 74 LYS HG3 . 11135 1 809 . 1 1 74 74 LYS C C 13 176.466 0.300 . 1 . . . . 74 LYS C . 11135 1 810 . 1 1 74 74 LYS CA C 13 57.529 0.300 . 1 . . . . 74 LYS CA . 11135 1 811 . 1 1 74 74 LYS CB C 13 30.830 0.300 . 1 . . . . 74 LYS CB . 11135 1 812 . 1 1 74 74 LYS CD C 13 27.772 0.300 . 1 . . . . 74 LYS CD . 11135 1 813 . 1 1 74 74 LYS CE C 13 39.860 0.300 . 1 . . . . 74 LYS CE . 11135 1 814 . 1 1 74 74 LYS CG C 13 22.967 0.300 . 1 . . . . 74 LYS CG . 11135 1 815 . 1 1 74 74 LYS N N 15 119.615 0.300 . 1 . . . . 74 LYS N . 11135 1 816 . 1 1 75 75 ALA H H 1 8.224 0.030 . 1 . . . . 75 ALA H . 11135 1 817 . 1 1 75 75 ALA HA H 1 3.998 0.030 . 1 . . . . 75 ALA HA . 11135 1 818 . 1 1 75 75 ALA HB1 H 1 1.272 0.030 . 1 . . . . 75 ALA HB . 11135 1 819 . 1 1 75 75 ALA HB2 H 1 1.272 0.030 . 1 . . . . 75 ALA HB . 11135 1 820 . 1 1 75 75 ALA HB3 H 1 1.272 0.030 . 1 . . . . 75 ALA HB . 11135 1 821 . 1 1 75 75 ALA C C 13 176.415 0.300 . 1 . . . . 75 ALA C . 11135 1 822 . 1 1 75 75 ALA CA C 13 53.029 0.300 . 1 . . . . 75 ALA CA . 11135 1 823 . 1 1 75 75 ALA CB C 13 16.820 0.300 . 1 . . . . 75 ALA CB . 11135 1 824 . 1 1 75 75 ALA N N 15 122.074 0.300 . 1 . . . . 75 ALA N . 11135 1 825 . 1 1 76 76 LYS H H 1 8.588 0.030 . 1 . . . . 76 LYS H . 11135 1 826 . 1 1 76 76 LYS HA H 1 3.440 0.030 . 1 . . . . 76 LYS HA . 11135 1 827 . 1 1 76 76 LYS HB2 H 1 1.904 0.030 . 2 . . . . 76 LYS HB2 . 11135 1 828 . 1 1 76 76 LYS HB3 H 1 1.539 0.030 . 2 . . . . 76 LYS HB3 . 11135 1 829 . 1 1 76 76 LYS HD2 H 1 1.491 0.030 . 1 . . . . 76 LYS HD2 . 11135 1 830 . 1 1 76 76 LYS HD3 H 1 1.491 0.030 . 1 . . . . 76 LYS HD3 . 11135 1 831 . 1 1 76 76 LYS HE2 H 1 2.750 0.030 . 2 . . . . 76 LYS HE2 . 11135 1 832 . 1 1 76 76 LYS HE3 H 1 2.806 0.030 . 2 . . . . 76 LYS HE3 . 11135 1 833 . 1 1 76 76 LYS HG2 H 1 1.134 0.030 . 1 . . . . 76 LYS HG2 . 11135 1 834 . 1 1 76 76 LYS HG3 H 1 1.134 0.030 . 1 . . . . 76 LYS HG3 . 11135 1 835 . 1 1 76 76 LYS C C 13 174.991 0.300 . 1 . . . . 76 LYS C . 11135 1 836 . 1 1 76 76 LYS CA C 13 57.933 0.300 . 1 . . . . 76 LYS CA . 11135 1 837 . 1 1 76 76 LYS CB C 13 30.063 0.300 . 1 . . . . 76 LYS CB . 11135 1 838 . 1 1 76 76 LYS CD C 13 27.583 0.300 . 1 . . . . 76 LYS CD . 11135 1 839 . 1 1 76 76 LYS CE C 13 39.417 0.300 . 1 . . . . 76 LYS CE . 11135 1 840 . 1 1 76 76 LYS CG C 13 22.373 0.300 . 1 . . . . 76 LYS CG . 11135 1 841 . 1 1 76 76 LYS N N 15 118.778 0.300 . 1 . . . . 76 LYS N . 11135 1 842 . 1 1 77 77 LYS H H 1 7.540 0.030 . 1 . . . . 77 LYS H . 11135 1 843 . 1 1 77 77 LYS HA H 1 3.823 0.030 . 1 . . . . 77 LYS HA . 11135 1 844 . 1 1 77 77 LYS HB2 H 1 1.817 0.030 . 2 . . . . 77 LYS HB2 . 11135 1 845 . 1 1 77 77 LYS HB3 H 1 1.899 0.030 . 2 . . . . 77 LYS HB3 . 11135 1 846 . 1 1 77 77 LYS HD2 H 1 1.593 0.030 . 1 . . . . 77 LYS HD2 . 11135 1 847 . 1 1 77 77 LYS HD3 H 1 1.593 0.030 . 1 . . . . 77 LYS HD3 . 11135 1 848 . 1 1 77 77 LYS HE2 H 1 2.861 0.030 . 1 . . . . 77 LYS HE2 . 11135 1 849 . 1 1 77 77 LYS HE3 H 1 2.861 0.030 . 1 . . . . 77 LYS HE3 . 11135 1 850 . 1 1 77 77 LYS HG2 H 1 1.296 0.030 . 2 . . . . 77 LYS HG2 . 11135 1 851 . 1 1 77 77 LYS HG3 H 1 1.518 0.030 . 2 . . . . 77 LYS HG3 . 11135 1 852 . 1 1 77 77 LYS C C 13 177.380 0.300 . 1 . . . . 77 LYS C . 11135 1 853 . 1 1 77 77 LYS CA C 13 57.434 0.300 . 1 . . . . 77 LYS CA . 11135 1 854 . 1 1 77 77 LYS CB C 13 30.078 0.300 . 1 . . . . 77 LYS CB . 11135 1 855 . 1 1 77 77 LYS CD C 13 27.165 0.300 . 1 . . . . 77 LYS CD . 11135 1 856 . 1 1 77 77 LYS CE C 13 39.613 0.300 . 1 . . . . 77 LYS CE . 11135 1 857 . 1 1 77 77 LYS CG C 13 23.126 0.300 . 1 . . . . 77 LYS CG . 11135 1 858 . 1 1 77 77 LYS N N 15 116.329 0.300 . 1 . . . . 77 LYS N . 11135 1 859 . 1 1 78 78 GLN H H 1 7.908 0.030 . 1 . . . . 78 GLN H . 11135 1 860 . 1 1 78 78 GLN HA H 1 4.055 0.030 . 1 . . . . 78 GLN HA . 11135 1 861 . 1 1 78 78 GLN HB2 H 1 1.945 0.030 . 2 . . . . 78 GLN HB2 . 11135 1 862 . 1 1 78 78 GLN HB3 H 1 1.994 0.030 . 2 . . . . 78 GLN HB3 . 11135 1 863 . 1 1 78 78 GLN HE21 H 1 6.954 0.030 . 2 . . . . 78 GLN HE21 . 11135 1 864 . 1 1 78 78 GLN HE22 H 1 6.553 0.030 . 2 . . . . 78 GLN HE22 . 11135 1 865 . 1 1 78 78 GLN HG2 H 1 2.218 0.030 . 2 . . . . 78 GLN HG2 . 11135 1 866 . 1 1 78 78 GLN HG3 H 1 2.403 0.030 . 2 . . . . 78 GLN HG3 . 11135 1 867 . 1 1 78 78 GLN C C 13 176.630 0.300 . 1 . . . . 78 GLN C . 11135 1 868 . 1 1 78 78 GLN CA C 13 57.105 0.300 . 1 . . . . 78 GLN CA . 11135 1 869 . 1 1 78 78 GLN CB C 13 26.129 0.300 . 1 . . . . 78 GLN CB . 11135 1 870 . 1 1 78 78 GLN CG C 13 31.510 0.300 . 1 . . . . 78 GLN CG . 11135 1 871 . 1 1 78 78 GLN N N 15 118.433 0.300 . 1 . . . . 78 GLN N . 11135 1 872 . 1 1 78 78 GLN NE2 N 15 108.556 0.300 . 1 . . . . 78 GLN NE2 . 11135 1 873 . 1 1 79 79 LEU H H 1 8.721 0.030 . 1 . . . . 79 LEU H . 11135 1 874 . 1 1 79 79 LEU HA H 1 3.911 0.030 . 1 . . . . 79 LEU HA . 11135 1 875 . 1 1 79 79 LEU HB2 H 1 1.497 0.030 . 2 . . . . 79 LEU HB2 . 11135 1 876 . 1 1 79 79 LEU HB3 H 1 1.561 0.030 . 2 . . . . 79 LEU HB3 . 11135 1 877 . 1 1 79 79 LEU HD11 H 1 0.725 0.030 . 1 . . . . 79 LEU HD1 . 11135 1 878 . 1 1 79 79 LEU HD12 H 1 0.725 0.030 . 1 . . . . 79 LEU HD1 . 11135 1 879 . 1 1 79 79 LEU HD13 H 1 0.725 0.030 . 1 . . . . 79 LEU HD1 . 11135 1 880 . 1 1 79 79 LEU HD21 H 1 0.653 0.030 . 1 . . . . 79 LEU HD2 . 11135 1 881 . 1 1 79 79 LEU HD22 H 1 0.653 0.030 . 1 . . . . 79 LEU HD2 . 11135 1 882 . 1 1 79 79 LEU HD23 H 1 0.653 0.030 . 1 . . . . 79 LEU HD2 . 11135 1 883 . 1 1 79 79 LEU HG H 1 1.576 0.030 . 1 . . . . 79 LEU HG . 11135 1 884 . 1 1 79 79 LEU C C 13 176.050 0.300 . 1 . . . . 79 LEU C . 11135 1 885 . 1 1 79 79 LEU CA C 13 55.825 0.300 . 1 . . . . 79 LEU CA . 11135 1 886 . 1 1 79 79 LEU CB C 13 39.860 0.300 . 1 . . . . 79 LEU CB . 11135 1 887 . 1 1 79 79 LEU CD1 C 13 22.561 0.300 . 2 . . . . 79 LEU CD1 . 11135 1 888 . 1 1 79 79 LEU CD2 C 13 23.063 0.300 . 2 . . . . 79 LEU CD2 . 11135 1 889 . 1 1 79 79 LEU CG C 13 24.604 0.300 . 1 . . . . 79 LEU CG . 11135 1 890 . 1 1 79 79 LEU N N 15 120.359 0.300 . 1 . . . . 79 LEU N . 11135 1 891 . 1 1 80 80 LEU H H 1 8.180 0.030 . 1 . . . . 80 LEU H . 11135 1 892 . 1 1 80 80 LEU HA H 1 3.924 0.030 . 1 . . . . 80 LEU HA . 11135 1 893 . 1 1 80 80 LEU HB2 H 1 1.787 0.030 . 2 . . . . 80 LEU HB2 . 11135 1 894 . 1 1 80 80 LEU HB3 H 1 1.374 0.030 . 2 . . . . 80 LEU HB3 . 11135 1 895 . 1 1 80 80 LEU HD11 H 1 0.719 0.030 . 1 . . . . 80 LEU HD1 . 11135 1 896 . 1 1 80 80 LEU HD12 H 1 0.719 0.030 . 1 . . . . 80 LEU HD1 . 11135 1 897 . 1 1 80 80 LEU HD13 H 1 0.719 0.030 . 1 . . . . 80 LEU HD1 . 11135 1 898 . 1 1 80 80 LEU HD21 H 1 0.767 0.030 . 1 . . . . 80 LEU HD2 . 11135 1 899 . 1 1 80 80 LEU HD22 H 1 0.767 0.030 . 1 . . . . 80 LEU HD2 . 11135 1 900 . 1 1 80 80 LEU HD23 H 1 0.767 0.030 . 1 . . . . 80 LEU HD2 . 11135 1 901 . 1 1 80 80 LEU HG H 1 1.657 0.030 . 1 . . . . 80 LEU HG . 11135 1 902 . 1 1 80 80 LEU C C 13 177.735 0.300 . 1 . . . . 80 LEU C . 11135 1 903 . 1 1 80 80 LEU CA C 13 55.530 0.300 . 1 . . . . 80 LEU CA . 11135 1 904 . 1 1 80 80 LEU CB C 13 38.746 0.300 . 1 . . . . 80 LEU CB . 11135 1 905 . 1 1 80 80 LEU CD1 C 13 20.023 0.300 . 2 . . . . 80 LEU CD1 . 11135 1 906 . 1 1 80 80 LEU CD2 C 13 23.352 0.300 . 2 . . . . 80 LEU CD2 . 11135 1 907 . 1 1 80 80 LEU CG C 13 24.893 0.300 . 1 . . . . 80 LEU CG . 11135 1 908 . 1 1 80 80 LEU N N 15 116.890 0.300 . 1 . . . . 80 LEU N . 11135 1 909 . 1 1 81 81 HIS H H 1 7.891 0.030 . 1 . . . . 81 HIS H . 11135 1 910 . 1 1 81 81 HIS HA H 1 4.346 0.030 . 1 . . . . 81 HIS HA . 11135 1 911 . 1 1 81 81 HIS HB2 H 1 3.142 0.030 . 2 . . . . 81 HIS HB2 . 11135 1 912 . 1 1 81 81 HIS HB3 H 1 3.210 0.030 . 2 . . . . 81 HIS HB3 . 11135 1 913 . 1 1 81 81 HIS HD2 H 1 6.943 0.030 . 1 . . . . 81 HIS HD2 . 11135 1 914 . 1 1 81 81 HIS HE1 H 1 7.896 0.030 . 1 . . . . 81 HIS HE1 . 11135 1 915 . 1 1 81 81 HIS C C 13 175.339 0.300 . 1 . . . . 81 HIS C . 11135 1 916 . 1 1 81 81 HIS CA C 13 57.017 0.300 . 1 . . . . 81 HIS CA . 11135 1 917 . 1 1 81 81 HIS CB C 13 27.187 0.300 . 1 . . . . 81 HIS CB . 11135 1 918 . 1 1 81 81 HIS CD2 C 13 118.082 0.300 . 1 . . . . 81 HIS CD2 . 11135 1 919 . 1 1 81 81 HIS CE1 C 13 135.662 0.300 . 1 . . . . 81 HIS CE1 . 11135 1 920 . 1 1 81 81 HIS N N 15 118.725 0.300 . 1 . . . . 81 HIS N . 11135 1 921 . 1 1 82 82 LEU H H 1 7.982 0.030 . 1 . . . . 82 LEU H . 11135 1 922 . 1 1 82 82 LEU HA H 1 3.932 0.030 . 1 . . . . 82 LEU HA . 11135 1 923 . 1 1 82 82 LEU HB2 H 1 1.795 0.030 . 2 . . . . 82 LEU HB2 . 11135 1 924 . 1 1 82 82 LEU HB3 H 1 1.458 0.030 . 2 . . . . 82 LEU HB3 . 11135 1 925 . 1 1 82 82 LEU HD11 H 1 0.862 0.030 . 1 . . . . 82 LEU HD1 . 11135 1 926 . 1 1 82 82 LEU HD12 H 1 0.862 0.030 . 1 . . . . 82 LEU HD1 . 11135 1 927 . 1 1 82 82 LEU HD13 H 1 0.862 0.030 . 1 . . . . 82 LEU HD1 . 11135 1 928 . 1 1 82 82 LEU HD21 H 1 0.825 0.030 . 1 . . . . 82 LEU HD2 . 11135 1 929 . 1 1 82 82 LEU HD22 H 1 0.825 0.030 . 1 . . . . 82 LEU HD2 . 11135 1 930 . 1 1 82 82 LEU HD23 H 1 0.825 0.030 . 1 . . . . 82 LEU HD2 . 11135 1 931 . 1 1 82 82 LEU HG H 1 1.714 0.030 . 1 . . . . 82 LEU HG . 11135 1 932 . 1 1 82 82 LEU C C 13 176.582 0.300 . 1 . . . . 82 LEU C . 11135 1 933 . 1 1 82 82 LEU CA C 13 55.103 0.300 . 1 . . . . 82 LEU CA . 11135 1 934 . 1 1 82 82 LEU CB C 13 39.942 0.300 . 1 . . . . 82 LEU CB . 11135 1 935 . 1 1 82 82 LEU CD1 C 13 23.158 0.300 . 2 . . . . 82 LEU CD1 . 11135 1 936 . 1 1 82 82 LEU CD2 C 13 21.706 0.300 . 2 . . . . 82 LEU CD2 . 11135 1 937 . 1 1 82 82 LEU CG C 13 24.606 0.300 . 1 . . . . 82 LEU CG . 11135 1 938 . 1 1 82 82 LEU N N 15 119.800 0.300 . 1 . . . . 82 LEU N . 11135 1 939 . 1 1 83 83 ALA H H 1 8.163 0.030 . 1 . . . . 83 ALA H . 11135 1 940 . 1 1 83 83 ALA HA H 1 3.913 0.030 . 1 . . . . 83 ALA HA . 11135 1 941 . 1 1 83 83 ALA HB1 H 1 1.395 0.030 . 1 . . . . 83 ALA HB . 11135 1 942 . 1 1 83 83 ALA HB2 H 1 1.395 0.030 . 1 . . . . 83 ALA HB . 11135 1 943 . 1 1 83 83 ALA HB3 H 1 1.395 0.030 . 1 . . . . 83 ALA HB . 11135 1 944 . 1 1 83 83 ALA C C 13 176.069 0.300 . 1 . . . . 83 ALA C . 11135 1 945 . 1 1 83 83 ALA CA C 13 52.164 0.300 . 1 . . . . 83 ALA CA . 11135 1 946 . 1 1 83 83 ALA CB C 13 16.243 0.300 . 1 . . . . 83 ALA CB . 11135 1 947 . 1 1 83 83 ALA N N 15 119.548 0.300 . 1 . . . . 83 ALA N . 11135 1 948 . 1 1 84 84 GLU H H 1 7.593 0.030 . 1 . . . . 84 GLU H . 11135 1 949 . 1 1 84 84 GLU HA H 1 3.987 0.030 . 1 . . . . 84 GLU HA . 11135 1 950 . 1 1 84 84 GLU HB2 H 1 1.997 0.030 . 1 . . . . 84 GLU HB2 . 11135 1 951 . 1 1 84 84 GLU HB3 H 1 1.997 0.030 . 1 . . . . 84 GLU HB3 . 11135 1 952 . 1 1 84 84 GLU HG2 H 1 2.283 0.030 . 2 . . . . 84 GLU HG2 . 11135 1 953 . 1 1 84 84 GLU HG3 H 1 2.156 0.030 . 2 . . . . 84 GLU HG3 . 11135 1 954 . 1 1 84 84 GLU C C 13 176.073 0.300 . 1 . . . . 84 GLU C . 11135 1 955 . 1 1 84 84 GLU CA C 13 55.913 0.300 . 1 . . . . 84 GLU CA . 11135 1 956 . 1 1 84 84 GLU CB C 13 27.330 0.300 . 1 . . . . 84 GLU CB . 11135 1 957 . 1 1 84 84 GLU CG C 13 33.925 0.300 . 1 . . . . 84 GLU CG . 11135 1 958 . 1 1 84 84 GLU N N 15 117.675 0.300 . 1 . . . . 84 GLU N . 11135 1 959 . 1 1 85 85 GLU H H 1 7.899 0.030 . 1 . . . . 85 GLU H . 11135 1 960 . 1 1 85 85 GLU HA H 1 3.978 0.030 . 1 . . . . 85 GLU HA . 11135 1 961 . 1 1 85 85 GLU HB2 H 1 1.933 0.030 . 1 . . . . 85 GLU HB2 . 11135 1 962 . 1 1 85 85 GLU HB3 H 1 1.933 0.030 . 1 . . . . 85 GLU HB3 . 11135 1 963 . 1 1 85 85 GLU HG2 H 1 2.138 0.030 . 2 . . . . 85 GLU HG2 . 11135 1 964 . 1 1 85 85 GLU HG3 H 1 2.009 0.030 . 2 . . . . 85 GLU HG3 . 11135 1 965 . 1 1 85 85 GLU C C 13 175.752 0.300 . 1 . . . . 85 GLU C . 11135 1 966 . 1 1 85 85 GLU CA C 13 55.984 0.300 . 1 . . . . 85 GLU CA . 11135 1 967 . 1 1 85 85 GLU CB C 13 27.651 0.300 . 1 . . . . 85 GLU CB . 11135 1 968 . 1 1 85 85 GLU CG C 13 34.172 0.300 . 1 . . . . 85 GLU CG . 11135 1 969 . 1 1 85 85 GLU N N 15 120.611 0.300 . 1 . . . . 85 GLU N . 11135 1 970 . 1 1 86 86 LYS H H 1 8.045 0.030 . 1 . . . . 86 LYS H . 11135 1 971 . 1 1 86 86 LYS HA H 1 4.142 0.030 . 1 . . . . 86 LYS HA . 11135 1 972 . 1 1 86 86 LYS HB2 H 1 1.748 0.030 . 2 . . . . 86 LYS HB2 . 11135 1 973 . 1 1 86 86 LYS HB3 H 1 1.794 0.030 . 2 . . . . 86 LYS HB3 . 11135 1 974 . 1 1 86 86 LYS HD2 H 1 1.559 0.030 . 2 . . . . 86 LYS HD2 . 11135 1 975 . 1 1 86 86 LYS HD3 H 1 1.486 0.030 . 2 . . . . 86 LYS HD3 . 11135 1 976 . 1 1 86 86 LYS HE2 H 1 2.811 0.030 . 1 . . . . 86 LYS HE2 . 11135 1 977 . 1 1 86 86 LYS HE3 H 1 2.811 0.030 . 1 . . . . 86 LYS HE3 . 11135 1 978 . 1 1 86 86 LYS HG2 H 1 1.333 0.030 . 2 . . . . 86 LYS HG2 . 11135 1 979 . 1 1 86 86 LYS HG3 H 1 1.449 0.030 . 2 . . . . 86 LYS HG3 . 11135 1 980 . 1 1 86 86 LYS C C 13 175.054 0.300 . 1 . . . . 86 LYS C . 11135 1 981 . 1 1 86 86 LYS CA C 13 54.145 0.300 . 1 . . . . 86 LYS CA . 11135 1 982 . 1 1 86 86 LYS CB C 13 30.034 0.300 . 1 . . . . 86 LYS CB . 11135 1 983 . 1 1 86 86 LYS CD C 13 26.115 0.300 . 1 . . . . 86 LYS CD . 11135 1 984 . 1 1 86 86 LYS CE C 13 39.778 0.300 . 1 . . . . 86 LYS CE . 11135 1 985 . 1 1 86 86 LYS CG C 13 22.537 0.300 . 1 . . . . 86 LYS CG . 11135 1 986 . 1 1 86 86 LYS N N 15 118.467 0.300 . 1 . . . . 86 LYS N . 11135 1 987 . 1 1 87 87 GLN H H 1 7.971 0.030 . 1 . . . . 87 GLN H . 11135 1 988 . 1 1 87 87 GLN HA H 1 4.227 0.030 . 1 . . . . 87 GLN HA . 11135 1 989 . 1 1 87 87 GLN HB2 H 1 2.056 0.030 . 2 . . . . 87 GLN HB2 . 11135 1 990 . 1 1 87 87 GLN HB3 H 1 1.982 0.030 . 2 . . . . 87 GLN HB3 . 11135 1 991 . 1 1 87 87 GLN HE21 H 1 7.317 0.030 . 2 . . . . 87 GLN HE21 . 11135 1 992 . 1 1 87 87 GLN HE22 H 1 6.782 0.030 . 2 . . . . 87 GLN HE22 . 11135 1 993 . 1 1 87 87 GLN HG2 H 1 2.332 0.030 . 2 . . . . 87 GLN HG2 . 11135 1 994 . 1 1 87 87 GLN HG3 H 1 2.272 0.030 . 2 . . . . 87 GLN HG3 . 11135 1 995 . 1 1 87 87 GLN C C 13 174.201 0.300 . 1 . . . . 87 GLN C . 11135 1 996 . 1 1 87 87 GLN CA C 13 54.303 0.300 . 1 . . . . 87 GLN CA . 11135 1 997 . 1 1 87 87 GLN CB C 13 27.289 0.300 . 1 . . . . 87 GLN CB . 11135 1 998 . 1 1 87 87 GLN CG C 13 31.864 0.300 . 1 . . . . 87 GLN CG . 11135 1 999 . 1 1 87 87 GLN N N 15 119.213 0.300 . 1 . . . . 87 GLN N . 11135 1 1000 . 1 1 87 87 GLN NE2 N 15 111.450 0.300 . 1 . . . . 87 GLN NE2 . 11135 1 1001 . 1 1 88 88 THR H H 1 7.982 0.030 . 1 . . . . 88 THR H . 11135 1 1002 . 1 1 88 88 THR HA H 1 4.182 0.030 . 1 . . . . 88 THR HA . 11135 1 1003 . 1 1 88 88 THR HB H 1 4.128 0.030 . 1 . . . . 88 THR HB . 11135 1 1004 . 1 1 88 88 THR HG21 H 1 1.131 0.030 . 1 . . . . 88 THR HG2 . 11135 1 1005 . 1 1 88 88 THR HG22 H 1 1.131 0.030 . 1 . . . . 88 THR HG2 . 11135 1 1006 . 1 1 88 88 THR HG23 H 1 1.131 0.030 . 1 . . . . 88 THR HG2 . 11135 1 1007 . 1 1 88 88 THR C C 13 172.399 0.300 . 1 . . . . 88 THR C . 11135 1 1008 . 1 1 88 88 THR CA C 13 60.317 0.300 . 1 . . . . 88 THR CA . 11135 1 1009 . 1 1 88 88 THR CB C 13 67.487 0.300 . 1 . . . . 88 THR CB . 11135 1 1010 . 1 1 88 88 THR CG2 C 13 19.288 0.300 . 1 . . . . 88 THR CG2 . 11135 1 1011 . 1 1 88 88 THR N N 15 114.518 0.300 . 1 . . . . 88 THR N . 11135 1 1012 . 1 1 89 89 LYS H H 1 8.170 0.030 . 1 . . . . 89 LYS H . 11135 1 1013 . 1 1 89 89 LYS HA H 1 4.305 0.030 . 1 . . . . 89 LYS HA . 11135 1 1014 . 1 1 89 89 LYS HB2 H 1 1.787 0.030 . 2 . . . . 89 LYS HB2 . 11135 1 1015 . 1 1 89 89 LYS HB3 H 1 1.683 0.030 . 2 . . . . 89 LYS HB3 . 11135 1 1016 . 1 1 89 89 LYS HD2 H 1 1.581 0.030 . 1 . . . . 89 LYS HD2 . 11135 1 1017 . 1 1 89 89 LYS HD3 H 1 1.581 0.030 . 1 . . . . 89 LYS HD3 . 11135 1 1018 . 1 1 89 89 LYS HE2 H 1 2.881 0.030 . 1 . . . . 89 LYS HE2 . 11135 1 1019 . 1 1 89 89 LYS HE3 H 1 2.881 0.030 . 1 . . . . 89 LYS HE3 . 11135 1 1020 . 1 1 89 89 LYS HG2 H 1 1.368 0.030 . 2 . . . . 89 LYS HG2 . 11135 1 1021 . 1 1 89 89 LYS HG3 H 1 1.329 0.030 . 2 . . . . 89 LYS HG3 . 11135 1 1022 . 1 1 89 89 LYS C C 13 174.138 0.300 . 1 . . . . 89 LYS C . 11135 1 1023 . 1 1 89 89 LYS CA C 13 53.950 0.300 . 1 . . . . 89 LYS CA . 11135 1 1024 . 1 1 89 89 LYS CB C 13 30.558 0.300 . 1 . . . . 89 LYS CB . 11135 1 1025 . 1 1 89 89 LYS CD C 13 26.671 0.300 . 1 . . . . 89 LYS CD . 11135 1 1026 . 1 1 89 89 LYS CE C 13 39.860 0.300 . 1 . . . . 89 LYS CE . 11135 1 1027 . 1 1 89 89 LYS CG C 13 22.302 0.300 . 1 . . . . 89 LYS CG . 11135 1 1028 . 1 1 89 89 LYS N N 15 123.170 0.300 . 1 . . . . 89 LYS N . 11135 1 1029 . 1 1 90 90 SER H H 1 8.182 0.030 . 1 . . . . 90 SER H . 11135 1 1030 . 1 1 90 90 SER HA H 1 4.396 0.030 . 1 . . . . 90 SER HA . 11135 1 1031 . 1 1 90 90 SER HB2 H 1 3.779 0.030 . 1 . . . . 90 SER HB2 . 11135 1 1032 . 1 1 90 90 SER HB3 H 1 3.779 0.030 . 1 . . . . 90 SER HB3 . 11135 1 1033 . 1 1 90 90 SER C C 13 172.185 0.300 . 1 . . . . 90 SER C . 11135 1 1034 . 1 1 90 90 SER CA C 13 56.019 0.300 . 1 . . . . 90 SER CA . 11135 1 1035 . 1 1 90 90 SER CB C 13 61.704 0.300 . 1 . . . . 90 SER CB . 11135 1 1036 . 1 1 90 90 SER N N 15 116.569 0.300 . 1 . . . . 90 SER N . 11135 1 1037 . 1 1 91 91 GLY H H 1 8.145 0.030 . 1 . . . . 91 GLY H . 11135 1 1038 . 1 1 91 91 GLY HA2 H 1 4.056 0.030 . 2 . . . . 91 GLY HA2 . 11135 1 1039 . 1 1 91 91 GLY HA3 H 1 4.010 0.030 . 2 . . . . 91 GLY HA3 . 11135 1 1040 . 1 1 91 91 GLY C C 13 169.460 0.300 . 1 . . . . 91 GLY C . 11135 1 1041 . 1 1 91 91 GLY CA C 13 42.324 0.300 . 1 . . . . 91 GLY CA . 11135 1 1042 . 1 1 91 91 GLY N N 15 110.313 0.300 . 1 . . . . 91 GLY N . 11135 1 1043 . 1 1 92 92 PRO HA H 1 4.382 0.030 . 1 . . . . 92 PRO HA . 11135 1 1044 . 1 1 92 92 PRO HB2 H 1 2.199 0.030 . 2 . . . . 92 PRO HB2 . 11135 1 1045 . 1 1 92 92 PRO HB3 H 1 1.877 0.030 . 2 . . . . 92 PRO HB3 . 11135 1 1046 . 1 1 92 92 PRO HD2 H 1 3.532 0.030 . 1 . . . . 92 PRO HD2 . 11135 1 1047 . 1 1 92 92 PRO HD3 H 1 3.532 0.030 . 1 . . . . 92 PRO HD3 . 11135 1 1048 . 1 1 92 92 PRO HG2 H 1 1.918 0.030 . 1 . . . . 92 PRO HG2 . 11135 1 1049 . 1 1 92 92 PRO HG3 H 1 1.918 0.030 . 1 . . . . 92 PRO HG3 . 11135 1 1050 . 1 1 92 92 PRO CA C 13 60.925 0.300 . 1 . . . . 92 PRO CA . 11135 1 1051 . 1 1 92 92 PRO CB C 13 29.836 0.300 . 1 . . . . 92 PRO CB . 11135 1 1052 . 1 1 92 92 PRO CD C 13 47.442 0.300 . 1 . . . . 92 PRO CD . 11135 1 1053 . 1 1 92 92 PRO CG C 13 24.798 0.300 . 1 . . . . 92 PRO CG . 11135 1 1054 . 1 1 94 94 SER HA H 1 4.396 0.030 . 1 . . . . 94 SER HA . 11135 1 1055 . 1 1 94 94 SER HB2 H 1 3.779 0.030 . 1 . . . . 94 SER HB2 . 11135 1 1056 . 1 1 94 94 SER HB3 H 1 3.779 0.030 . 1 . . . . 94 SER HB3 . 11135 1 1057 . 1 1 94 94 SER C C 13 171.585 0.300 . 1 . . . . 94 SER C . 11135 1 1058 . 1 1 94 94 SER CA C 13 55.949 0.300 . 1 . . . . 94 SER CA . 11135 1 1059 . 1 1 94 94 SER CB C 13 61.539 0.300 . 1 . . . . 94 SER CB . 11135 1 1060 . 1 1 95 95 GLY H H 1 7.954 0.030 . 1 . . . . 95 GLY H . 11135 1 1061 . 1 1 95 95 GLY HA2 H 1 3.642 0.030 . 2 . . . . 95 GLY HA2 . 11135 1 1062 . 1 1 95 95 GLY HA3 H 1 3.690 0.030 . 2 . . . . 95 GLY HA3 . 11135 1 1063 . 1 1 95 95 GLY C C 13 176.649 0.300 . 1 . . . . 95 GLY C . 11135 1 1064 . 1 1 95 95 GLY CA C 13 43.860 0.300 . 1 . . . . 95 GLY CA . 11135 1 1065 . 1 1 95 95 GLY N N 15 116.460 0.300 . 1 . . . . 95 GLY N . 11135 1 stop_ save_