data_10160 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10160 _Entry.Title ; Solution structure of the 17th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-28 _Entry.Accession_date 2008-01-06 _Entry.Last_release_date 2009-02-20 _Entry.Original_release_date 2009-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10160 2 S. Koshiba . . . 10160 3 S. Watanabe . . . 10160 4 T. Harada . . . 10160 5 T. Kigawa . . . 10160 6 S. Yokoyama . . . 10160 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10160 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10160 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 10160 '15N chemical shifts' 105 10160 '1H chemical shifts' 721 10160 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-02-20 2007-12-28 original author . 10160 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EEA 'BMRB Entry Tracking System' 10160 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10160 _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 17th filamin domain from human Filamin-B' _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 . . . 10160 1 2 S. Koshiba . . . 10160 1 3 S. Watanabe . . . 10160 1 4 T. Harada . . . 10160 1 5 T. Kigawa . . . 10160 1 6 S. Yokoyama . . . 10160 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10160 _Assembly.ID 1 _Assembly.Name Filamin-B _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 Filamin-B 1 $entity_1 . . yes native no no . . . 10160 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2EEA . . . . . . 10160 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10160 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'filamin domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPESPLQFYVNYPN SGSVSAYGPGLVYGVANKTA TFTIVTEDAGEGGLDLAIEG PSKAEISCIDNKDGTCTVTY LPTLPGDYSILVKYNDKHIP GSPFTAKITDDSRRC ; _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 115 _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 2EEA . "Solution Structure Of The 17th Filamin Domain From Human Filamin-B" . . . . . 100.00 115 100.00 100.00 7.92e-76 . . . . 10160 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'filamin domain' . 10160 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 . 10160 1 2 . SER . 10160 1 3 . SER . 10160 1 4 . GLY . 10160 1 5 . SER . 10160 1 6 . SER . 10160 1 7 . GLY . 10160 1 8 . PRO . 10160 1 9 . GLU . 10160 1 10 . SER . 10160 1 11 . PRO . 10160 1 12 . LEU . 10160 1 13 . GLN . 10160 1 14 . PHE . 10160 1 15 . TYR . 10160 1 16 . VAL . 10160 1 17 . ASN . 10160 1 18 . TYR . 10160 1 19 . PRO . 10160 1 20 . ASN . 10160 1 21 . SER . 10160 1 22 . GLY . 10160 1 23 . SER . 10160 1 24 . VAL . 10160 1 25 . SER . 10160 1 26 . ALA . 10160 1 27 . TYR . 10160 1 28 . GLY . 10160 1 29 . PRO . 10160 1 30 . GLY . 10160 1 31 . LEU . 10160 1 32 . VAL . 10160 1 33 . TYR . 10160 1 34 . GLY . 10160 1 35 . VAL . 10160 1 36 . ALA . 10160 1 37 . ASN . 10160 1 38 . LYS . 10160 1 39 . THR . 10160 1 40 . ALA . 10160 1 41 . THR . 10160 1 42 . PHE . 10160 1 43 . THR . 10160 1 44 . ILE . 10160 1 45 . VAL . 10160 1 46 . THR . 10160 1 47 . GLU . 10160 1 48 . ASP . 10160 1 49 . ALA . 10160 1 50 . GLY . 10160 1 51 . GLU . 10160 1 52 . GLY . 10160 1 53 . GLY . 10160 1 54 . LEU . 10160 1 55 . ASP . 10160 1 56 . LEU . 10160 1 57 . ALA . 10160 1 58 . ILE . 10160 1 59 . GLU . 10160 1 60 . GLY . 10160 1 61 . PRO . 10160 1 62 . SER . 10160 1 63 . LYS . 10160 1 64 . ALA . 10160 1 65 . GLU . 10160 1 66 . ILE . 10160 1 67 . SER . 10160 1 68 . CYS . 10160 1 69 . ILE . 10160 1 70 . ASP . 10160 1 71 . ASN . 10160 1 72 . LYS . 10160 1 73 . ASP . 10160 1 74 . GLY . 10160 1 75 . THR . 10160 1 76 . CYS . 10160 1 77 . THR . 10160 1 78 . VAL . 10160 1 79 . THR . 10160 1 80 . TYR . 10160 1 81 . LEU . 10160 1 82 . PRO . 10160 1 83 . THR . 10160 1 84 . LEU . 10160 1 85 . PRO . 10160 1 86 . GLY . 10160 1 87 . ASP . 10160 1 88 . TYR . 10160 1 89 . SER . 10160 1 90 . ILE . 10160 1 91 . LEU . 10160 1 92 . VAL . 10160 1 93 . LYS . 10160 1 94 . TYR . 10160 1 95 . ASN . 10160 1 96 . ASP . 10160 1 97 . LYS . 10160 1 98 . HIS . 10160 1 99 . ILE . 10160 1 100 . PRO . 10160 1 101 . GLY . 10160 1 102 . SER . 10160 1 103 . PRO . 10160 1 104 . PHE . 10160 1 105 . THR . 10160 1 106 . ALA . 10160 1 107 . LYS . 10160 1 108 . ILE . 10160 1 109 . THR . 10160 1 110 . ASP . 10160 1 111 . ASP . 10160 1 112 . SER . 10160 1 113 . ARG . 10160 1 114 . ARG . 10160 1 115 . CYS . 10160 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 10160 1 . SER 2 2 10160 1 . SER 3 3 10160 1 . GLY 4 4 10160 1 . SER 5 5 10160 1 . SER 6 6 10160 1 . GLY 7 7 10160 1 . PRO 8 8 10160 1 . GLU 9 9 10160 1 . SER 10 10 10160 1 . PRO 11 11 10160 1 . LEU 12 12 10160 1 . GLN 13 13 10160 1 . PHE 14 14 10160 1 . TYR 15 15 10160 1 . VAL 16 16 10160 1 . ASN 17 17 10160 1 . TYR 18 18 10160 1 . PRO 19 19 10160 1 . ASN 20 20 10160 1 . SER 21 21 10160 1 . GLY 22 22 10160 1 . SER 23 23 10160 1 . VAL 24 24 10160 1 . SER 25 25 10160 1 . ALA 26 26 10160 1 . TYR 27 27 10160 1 . GLY 28 28 10160 1 . PRO 29 29 10160 1 . GLY 30 30 10160 1 . LEU 31 31 10160 1 . VAL 32 32 10160 1 . TYR 33 33 10160 1 . GLY 34 34 10160 1 . VAL 35 35 10160 1 . ALA 36 36 10160 1 . ASN 37 37 10160 1 . LYS 38 38 10160 1 . THR 39 39 10160 1 . ALA 40 40 10160 1 . THR 41 41 10160 1 . PHE 42 42 10160 1 . THR 43 43 10160 1 . ILE 44 44 10160 1 . VAL 45 45 10160 1 . THR 46 46 10160 1 . GLU 47 47 10160 1 . ASP 48 48 10160 1 . ALA 49 49 10160 1 . GLY 50 50 10160 1 . GLU 51 51 10160 1 . GLY 52 52 10160 1 . GLY 53 53 10160 1 . LEU 54 54 10160 1 . ASP 55 55 10160 1 . LEU 56 56 10160 1 . ALA 57 57 10160 1 . ILE 58 58 10160 1 . GLU 59 59 10160 1 . GLY 60 60 10160 1 . PRO 61 61 10160 1 . SER 62 62 10160 1 . LYS 63 63 10160 1 . ALA 64 64 10160 1 . GLU 65 65 10160 1 . ILE 66 66 10160 1 . SER 67 67 10160 1 . CYS 68 68 10160 1 . ILE 69 69 10160 1 . ASP 70 70 10160 1 . ASN 71 71 10160 1 . LYS 72 72 10160 1 . ASP 73 73 10160 1 . GLY 74 74 10160 1 . THR 75 75 10160 1 . CYS 76 76 10160 1 . THR 77 77 10160 1 . VAL 78 78 10160 1 . THR 79 79 10160 1 . TYR 80 80 10160 1 . LEU 81 81 10160 1 . PRO 82 82 10160 1 . THR 83 83 10160 1 . LEU 84 84 10160 1 . PRO 85 85 10160 1 . GLY 86 86 10160 1 . ASP 87 87 10160 1 . TYR 88 88 10160 1 . SER 89 89 10160 1 . ILE 90 90 10160 1 . LEU 91 91 10160 1 . VAL 92 92 10160 1 . LYS 93 93 10160 1 . TYR 94 94 10160 1 . ASN 95 95 10160 1 . ASP 96 96 10160 1 . LYS 97 97 10160 1 . HIS 98 98 10160 1 . ILE 99 99 10160 1 . PRO 100 100 10160 1 . GLY 101 101 10160 1 . SER 102 102 10160 1 . PRO 103 103 10160 1 . PHE 104 104 10160 1 . THR 105 105 10160 1 . ALA 106 106 10160 1 . LYS 107 107 10160 1 . ILE 108 108 10160 1 . THR 109 109 10160 1 . ASP 110 110 10160 1 . ASP 111 111 10160 1 . SER 112 112 10160 1 . ARG 113 113 10160 1 . ARG 114 114 10160 1 . CYS 115 115 10160 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 10160 _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 . . . . . . . . . . . . . . . . . . . . . 10160 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 10160 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060619-15 . . . . . . 10160 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10160 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.17 . . mM . . . . 10160 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10160 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10160 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10160 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10160 1 6 H2O . . . . . . solvent 90 . . % . . . . 10160 1 7 D2O . . . . . . solvent 10 . . % . . . . 10160 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 10160 _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 10160 1 pH 7.0 0.05 pH 10160 1 pressure 1 0.001 atm 10160 1 temperature 296 0.1 K 10160 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10160 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10160 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10160 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10160 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10160 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10160 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10160 _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.' . . 10160 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10160 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10160 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9823 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10160 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10160 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10160 _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.' . . 10160 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10160 5 'structure solution' 10160 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 10160 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10160 _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 II' . 900 . . . 10160 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 10160 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10160 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10160 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 10160 _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 . . . . . . . . . 10160 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10160 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10160 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 10160 _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 13C-separated NOESY' 1 $sample_1 isotropic 10160 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10160 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY CA C 13 44.699 0.300 . 1 . . . . 7 GLY CA . 10160 1 2 . 1 1 7 7 GLY HA3 H 1 4.124 0.030 . 1 . . . . 7 GLY HA3 . 10160 1 3 . 1 1 7 7 GLY HA2 H 1 4.124 0.030 . 1 . . . . 7 GLY HA2 . 10160 1 4 . 1 1 8 8 PRO CA C 13 63.321 0.300 . 1 . . . . 8 PRO CA . 10160 1 5 . 1 1 8 8 PRO HA H 1 4.418 0.030 . 1 . . . . 8 PRO HA . 10160 1 6 . 1 1 8 8 PRO CB C 13 32.104 0.300 . 1 . . . . 8 PRO CB . 10160 1 7 . 1 1 8 8 PRO HB3 H 1 1.922 0.030 . 2 . . . . 8 PRO HB3 . 10160 1 8 . 1 1 8 8 PRO CG C 13 27.214 0.300 . 1 . . . . 8 PRO CG . 10160 1 9 . 1 1 8 8 PRO HG3 H 1 1.987 0.030 . 1 . . . . 8 PRO HG3 . 10160 1 10 . 1 1 8 8 PRO CD C 13 49.764 0.300 . 1 . . . . 8 PRO CD . 10160 1 11 . 1 1 8 8 PRO HD3 H 1 3.590 0.030 . 2 . . . . 8 PRO HD3 . 10160 1 12 . 1 1 8 8 PRO C C 13 177.159 0.300 . 1 . . . . 8 PRO C . 10160 1 13 . 1 1 8 8 PRO HB2 H 1 2.253 0.030 . 2 . . . . 8 PRO HB2 . 10160 1 14 . 1 1 8 8 PRO HD2 H 1 3.636 0.030 . 2 . . . . 8 PRO HD2 . 10160 1 15 . 1 1 8 8 PRO HG2 H 1 1.987 0.030 . 1 . . . . 8 PRO HG2 . 10160 1 16 . 1 1 9 9 GLU N N 15 120.837 0.300 . 1 . . . . 9 GLU N . 10160 1 17 . 1 1 9 9 GLU H H 1 8.612 0.030 . 1 . . . . 9 GLU H . 10160 1 18 . 1 1 9 9 GLU CA C 13 56.642 0.300 . 1 . . . . 9 GLU CA . 10160 1 19 . 1 1 9 9 GLU HA H 1 4.282 0.030 . 1 . . . . 9 GLU HA . 10160 1 20 . 1 1 9 9 GLU CB C 13 30.181 0.300 . 1 . . . . 9 GLU CB . 10160 1 21 . 1 1 9 9 GLU HB3 H 1 1.934 0.030 . 1 . . . . 9 GLU HB3 . 10160 1 22 . 1 1 9 9 GLU CG C 13 36.281 0.300 . 1 . . . . 9 GLU CG . 10160 1 23 . 1 1 9 9 GLU HG3 H 1 2.261 0.030 . 1 . . . . 9 GLU HG3 . 10160 1 24 . 1 1 9 9 GLU C C 13 176.387 0.300 . 1 . . . . 9 GLU C . 10160 1 25 . 1 1 9 9 GLU HB2 H 1 1.934 0.030 . 1 . . . . 9 GLU HB2 . 10160 1 26 . 1 1 9 9 GLU HG2 H 1 2.261 0.030 . 1 . . . . 9 GLU HG2 . 10160 1 27 . 1 1 10 10 SER N N 15 117.776 0.300 . 1 . . . . 10 SER N . 10160 1 28 . 1 1 10 10 SER H H 1 8.264 0.030 . 1 . . . . 10 SER H . 10160 1 29 . 1 1 10 10 SER CA C 13 56.382 0.300 . 1 . . . . 10 SER CA . 10160 1 30 . 1 1 10 10 SER HA H 1 4.763 0.030 . 1 . . . . 10 SER HA . 10160 1 31 . 1 1 10 10 SER CB C 13 63.575 0.300 . 1 . . . . 10 SER CB . 10160 1 32 . 1 1 10 10 SER HB3 H 1 3.843 0.030 . 1 . . . . 10 SER HB3 . 10160 1 33 . 1 1 10 10 SER C C 13 172.958 0.300 . 1 . . . . 10 SER C . 10160 1 34 . 1 1 10 10 SER HB2 H 1 3.843 0.030 . 1 . . . . 10 SER HB2 . 10160 1 35 . 1 1 11 11 PRO CA C 13 63.404 0.300 . 1 . . . . 11 PRO CA . 10160 1 36 . 1 1 11 11 PRO HA H 1 4.432 0.030 . 1 . . . . 11 PRO HA . 10160 1 37 . 1 1 11 11 PRO CB C 13 31.958 0.300 . 1 . . . . 11 PRO CB . 10160 1 38 . 1 1 11 11 PRO HB3 H 1 2.287 0.030 . 1 . . . . 11 PRO HB3 . 10160 1 39 . 1 1 11 11 PRO CG C 13 27.214 0.300 . 1 . . . . 11 PRO CG . 10160 1 40 . 1 1 11 11 PRO HG3 H 1 1.995 0.030 . 1 . . . . 11 PRO HG3 . 10160 1 41 . 1 1 11 11 PRO CD C 13 50.765 0.300 . 1 . . . . 11 PRO CD . 10160 1 42 . 1 1 11 11 PRO HD3 H 1 3.715 0.030 . 2 . . . . 11 PRO HD3 . 10160 1 43 . 1 1 11 11 PRO C C 13 176.922 0.300 . 1 . . . . 11 PRO C . 10160 1 44 . 1 1 11 11 PRO HB2 H 1 2.287 0.030 . 1 . . . . 11 PRO HB2 . 10160 1 45 . 1 1 11 11 PRO HD2 H 1 3.806 0.030 . 2 . . . . 11 PRO HD2 . 10160 1 46 . 1 1 11 11 PRO HG2 H 1 1.995 0.030 . 1 . . . . 11 PRO HG2 . 10160 1 47 . 1 1 12 12 LEU N N 15 121.245 0.300 . 1 . . . . 12 LEU N . 10160 1 48 . 1 1 12 12 LEU H H 1 8.172 0.030 . 1 . . . . 12 LEU H . 10160 1 49 . 1 1 12 12 LEU CA C 13 55.521 0.300 . 1 . . . . 12 LEU CA . 10160 1 50 . 1 1 12 12 LEU HA H 1 4.236 0.030 . 1 . . . . 12 LEU HA . 10160 1 51 . 1 1 12 12 LEU CB C 13 42.138 0.300 . 1 . . . . 12 LEU CB . 10160 1 52 . 1 1 12 12 LEU HB3 H 1 1.585 0.030 . 2 . . . . 12 LEU HB3 . 10160 1 53 . 1 1 12 12 LEU CG C 13 27.087 0.300 . 1 . . . . 12 LEU CG . 10160 1 54 . 1 1 12 12 LEU HG H 1 1.593 0.030 . 1 . . . . 12 LEU HG . 10160 1 55 . 1 1 12 12 LEU CD1 C 13 25.044 0.300 . 2 . . . . 12 LEU CD1 . 10160 1 56 . 1 1 12 12 LEU HD11 H 1 0.915 0.030 . 1 . . . . 12 LEU HD1 . 10160 1 57 . 1 1 12 12 LEU HD12 H 1 0.915 0.030 . 1 . . . . 12 LEU HD1 . 10160 1 58 . 1 1 12 12 LEU HD13 H 1 0.915 0.030 . 1 . . . . 12 LEU HD1 . 10160 1 59 . 1 1 12 12 LEU CD2 C 13 23.566 0.300 . 2 . . . . 12 LEU CD2 . 10160 1 60 . 1 1 12 12 LEU HD21 H 1 0.858 0.030 . 1 . . . . 12 LEU HD2 . 10160 1 61 . 1 1 12 12 LEU HD22 H 1 0.858 0.030 . 1 . . . . 12 LEU HD2 . 10160 1 62 . 1 1 12 12 LEU HD23 H 1 0.858 0.030 . 1 . . . . 12 LEU HD2 . 10160 1 63 . 1 1 12 12 LEU C C 13 177.236 0.300 . 1 . . . . 12 LEU C . 10160 1 64 . 1 1 12 12 LEU HB2 H 1 1.487 0.030 . 2 . . . . 12 LEU HB2 . 10160 1 65 . 1 1 13 13 GLN N N 15 120.086 0.300 . 1 . . . . 13 GLN N . 10160 1 66 . 1 1 13 13 GLN H H 1 8.098 0.030 . 1 . . . . 13 GLN H . 10160 1 67 . 1 1 13 13 GLN CA C 13 55.785 0.300 . 1 . . . . 13 GLN CA . 10160 1 68 . 1 1 13 13 GLN HA H 1 4.220 0.030 . 1 . . . . 13 GLN HA . 10160 1 69 . 1 1 13 13 GLN CB C 13 29.628 0.300 . 1 . . . . 13 GLN CB . 10160 1 70 . 1 1 13 13 GLN HB3 H 1 1.878 0.030 . 1 . . . . 13 GLN HB3 . 10160 1 71 . 1 1 13 13 GLN CG C 13 33.679 0.300 . 1 . . . . 13 GLN CG . 10160 1 72 . 1 1 13 13 GLN HG3 H 1 2.164 0.030 . 1 . . . . 13 GLN HG3 . 10160 1 73 . 1 1 13 13 GLN NE2 N 15 112.338 0.300 . 1 . . . . 13 GLN NE2 . 10160 1 74 . 1 1 13 13 GLN HE21 H 1 7.427 0.030 . 2 . . . . 13 GLN HE21 . 10160 1 75 . 1 1 13 13 GLN HE22 H 1 6.847 0.030 . 2 . . . . 13 GLN HE22 . 10160 1 76 . 1 1 13 13 GLN C C 13 175.243 0.300 . 1 . . . . 13 GLN C . 10160 1 77 . 1 1 13 13 GLN HB2 H 1 1.878 0.030 . 1 . . . . 13 GLN HB2 . 10160 1 78 . 1 1 13 13 GLN HG2 H 1 2.164 0.030 . 1 . . . . 13 GLN HG2 . 10160 1 79 . 1 1 14 14 PHE N N 15 120.461 0.300 . 1 . . . . 14 PHE N . 10160 1 80 . 1 1 14 14 PHE H H 1 8.056 0.030 . 1 . . . . 14 PHE H . 10160 1 81 . 1 1 14 14 PHE CA C 13 57.739 0.300 . 1 . . . . 14 PHE CA . 10160 1 82 . 1 1 14 14 PHE HA H 1 4.545 0.030 . 1 . . . . 14 PHE HA . 10160 1 83 . 1 1 14 14 PHE CB C 13 39.825 0.300 . 1 . . . . 14 PHE CB . 10160 1 84 . 1 1 14 14 PHE HB3 H 1 3.009 0.030 . 2 . . . . 14 PHE HB3 . 10160 1 85 . 1 1 14 14 PHE CD1 C 13 131.730 0.300 . 1 . . . . 14 PHE CD1 . 10160 1 86 . 1 1 14 14 PHE HD1 H 1 7.120 0.030 . 1 . . . . 14 PHE HD1 . 10160 1 87 . 1 1 14 14 PHE CD2 C 13 131.730 0.300 . 1 . . . . 14 PHE CD2 . 10160 1 88 . 1 1 14 14 PHE HD2 H 1 7.120 0.030 . 1 . . . . 14 PHE HD2 . 10160 1 89 . 1 1 14 14 PHE CE1 C 13 131.506 0.300 . 1 . . . . 14 PHE CE1 . 10160 1 90 . 1 1 14 14 PHE HE1 H 1 7.294 0.030 . 1 . . . . 14 PHE HE1 . 10160 1 91 . 1 1 14 14 PHE CE2 C 13 131.506 0.300 . 1 . . . . 14 PHE CE2 . 10160 1 92 . 1 1 14 14 PHE HE2 H 1 7.294 0.030 . 1 . . . . 14 PHE HE2 . 10160 1 93 . 1 1 14 14 PHE CZ C 13 129.879 0.300 . 1 . . . . 14 PHE CZ . 10160 1 94 . 1 1 14 14 PHE HZ H 1 7.263 0.030 . 1 . . . . 14 PHE HZ . 10160 1 95 . 1 1 14 14 PHE C C 13 175.022 0.300 . 1 . . . . 14 PHE C . 10160 1 96 . 1 1 14 14 PHE HB2 H 1 2.907 0.030 . 2 . . . . 14 PHE HB2 . 10160 1 97 . 1 1 15 15 TYR N N 15 121.213 0.300 . 1 . . . . 15 TYR N . 10160 1 98 . 1 1 15 15 TYR H H 1 8.004 0.030 . 1 . . . . 15 TYR H . 10160 1 99 . 1 1 15 15 TYR CA C 13 57.756 0.300 . 1 . . . . 15 TYR CA . 10160 1 100 . 1 1 15 15 TYR HA H 1 4.506 0.030 . 1 . . . . 15 TYR HA . 10160 1 101 . 1 1 15 15 TYR CB C 13 39.012 0.300 . 1 . . . . 15 TYR CB . 10160 1 102 . 1 1 15 15 TYR HB3 H 1 2.979 0.030 . 2 . . . . 15 TYR HB3 . 10160 1 103 . 1 1 15 15 TYR CD1 C 13 133.266 0.300 . 1 . . . . 15 TYR CD1 . 10160 1 104 . 1 1 15 15 TYR HD1 H 1 7.057 0.030 . 1 . . . . 15 TYR HD1 . 10160 1 105 . 1 1 15 15 TYR CD2 C 13 133.266 0.300 . 1 . . . . 15 TYR CD2 . 10160 1 106 . 1 1 15 15 TYR HD2 H 1 7.057 0.030 . 1 . . . . 15 TYR HD2 . 10160 1 107 . 1 1 15 15 TYR CE1 C 13 118.163 0.300 . 1 . . . . 15 TYR CE1 . 10160 1 108 . 1 1 15 15 TYR HE1 H 1 6.805 0.030 . 1 . . . . 15 TYR HE1 . 10160 1 109 . 1 1 15 15 TYR CE2 C 13 118.163 0.300 . 1 . . . . 15 TYR CE2 . 10160 1 110 . 1 1 15 15 TYR HE2 H 1 6.805 0.030 . 1 . . . . 15 TYR HE2 . 10160 1 111 . 1 1 15 15 TYR C C 13 175.174 0.300 . 1 . . . . 15 TYR C . 10160 1 112 . 1 1 15 15 TYR HB2 H 1 2.859 0.030 . 2 . . . . 15 TYR HB2 . 10160 1 113 . 1 1 16 16 VAL N N 15 121.693 0.300 . 1 . . . . 16 VAL N . 10160 1 114 . 1 1 16 16 VAL H H 1 7.900 0.030 . 1 . . . . 16 VAL H . 10160 1 115 . 1 1 16 16 VAL CA C 13 62.248 0.300 . 1 . . . . 16 VAL CA . 10160 1 116 . 1 1 16 16 VAL HA H 1 3.932 0.030 . 1 . . . . 16 VAL HA . 10160 1 117 . 1 1 16 16 VAL CB C 13 33.023 0.300 . 1 . . . . 16 VAL CB . 10160 1 118 . 1 1 16 16 VAL HB H 1 1.896 0.030 . 1 . . . . 16 VAL HB . 10160 1 119 . 1 1 16 16 VAL CG1 C 13 21.060 0.300 . 2 . . . . 16 VAL CG1 . 10160 1 120 . 1 1 16 16 VAL HG11 H 1 0.752 0.030 . 1 . . . . 16 VAL HG1 . 10160 1 121 . 1 1 16 16 VAL HG12 H 1 0.752 0.030 . 1 . . . . 16 VAL HG1 . 10160 1 122 . 1 1 16 16 VAL HG13 H 1 0.752 0.030 . 1 . . . . 16 VAL HG1 . 10160 1 123 . 1 1 16 16 VAL CG2 C 13 20.751 0.300 . 2 . . . . 16 VAL CG2 . 10160 1 124 . 1 1 16 16 VAL HG21 H 1 0.850 0.030 . 1 . . . . 16 VAL HG2 . 10160 1 125 . 1 1 16 16 VAL HG22 H 1 0.850 0.030 . 1 . . . . 16 VAL HG2 . 10160 1 126 . 1 1 16 16 VAL HG23 H 1 0.850 0.030 . 1 . . . . 16 VAL HG2 . 10160 1 127 . 1 1 16 16 VAL C C 13 175.016 0.300 . 1 . . . . 16 VAL C . 10160 1 128 . 1 1 17 17 ASN N N 15 121.488 0.300 . 1 . . . . 17 ASN N . 10160 1 129 . 1 1 17 17 ASN H H 1 8.198 0.030 . 1 . . . . 17 ASN H . 10160 1 130 . 1 1 17 17 ASN CA C 13 52.948 0.300 . 1 . . . . 17 ASN CA . 10160 1 131 . 1 1 17 17 ASN HA H 1 4.630 0.030 . 1 . . . . 17 ASN HA . 10160 1 132 . 1 1 17 17 ASN CB C 13 39.289 0.300 . 1 . . . . 17 ASN CB . 10160 1 133 . 1 1 17 17 ASN HB3 H 1 2.666 0.030 . 2 . . . . 17 ASN HB3 . 10160 1 134 . 1 1 17 17 ASN ND2 N 15 112.673 0.300 . 1 . . . . 17 ASN ND2 . 10160 1 135 . 1 1 17 17 ASN HD21 H 1 7.533 0.030 . 2 . . . . 17 ASN HD21 . 10160 1 136 . 1 1 17 17 ASN HD22 H 1 6.894 0.030 . 2 . . . . 17 ASN HD22 . 10160 1 137 . 1 1 17 17 ASN C C 13 174.167 0.300 . 1 . . . . 17 ASN C . 10160 1 138 . 1 1 17 17 ASN HB2 H 1 2.599 0.030 . 2 . . . . 17 ASN HB2 . 10160 1 139 . 1 1 18 18 TYR N N 15 122.069 0.300 . 1 . . . . 18 TYR N . 10160 1 140 . 1 1 18 18 TYR H H 1 8.117 0.030 . 1 . . . . 18 TYR H . 10160 1 141 . 1 1 18 18 TYR CA C 13 55.970 0.300 . 1 . . . . 18 TYR CA . 10160 1 142 . 1 1 18 18 TYR HA H 1 4.771 0.030 . 1 . . . . 18 TYR HA . 10160 1 143 . 1 1 18 18 TYR CB C 13 38.260 0.300 . 1 . . . . 18 TYR CB . 10160 1 144 . 1 1 18 18 TYR HB3 H 1 3.042 0.030 . 2 . . . . 18 TYR HB3 . 10160 1 145 . 1 1 18 18 TYR CD1 C 13 133.433 0.300 . 1 . . . . 18 TYR CD1 . 10160 1 146 . 1 1 18 18 TYR HD1 H 1 7.120 0.030 . 1 . . . . 18 TYR HD1 . 10160 1 147 . 1 1 18 18 TYR CD2 C 13 133.433 0.300 . 1 . . . . 18 TYR CD2 . 10160 1 148 . 1 1 18 18 TYR HD2 H 1 7.120 0.030 . 1 . . . . 18 TYR HD2 . 10160 1 149 . 1 1 18 18 TYR CE1 C 13 118.144 0.300 . 1 . . . . 18 TYR CE1 . 10160 1 150 . 1 1 18 18 TYR HE1 H 1 6.805 0.030 . 1 . . . . 18 TYR HE1 . 10160 1 151 . 1 1 18 18 TYR CE2 C 13 118.144 0.300 . 1 . . . . 18 TYR CE2 . 10160 1 152 . 1 1 18 18 TYR HE2 H 1 6.805 0.030 . 1 . . . . 18 TYR HE2 . 10160 1 153 . 1 1 18 18 TYR C C 13 173.978 0.300 . 1 . . . . 18 TYR C . 10160 1 154 . 1 1 18 18 TYR HB2 H 1 2.820 0.030 . 2 . . . . 18 TYR HB2 . 10160 1 155 . 1 1 19 19 PRO CA C 13 63.378 0.300 . 1 . . . . 19 PRO CA . 10160 1 156 . 1 1 19 19 PRO HA H 1 4.414 0.030 . 1 . . . . 19 PRO HA . 10160 1 157 . 1 1 19 19 PRO CB C 13 32.018 0.300 . 1 . . . . 19 PRO CB . 10160 1 158 . 1 1 19 19 PRO HB3 H 1 1.927 0.030 . 2 . . . . 19 PRO HB3 . 10160 1 159 . 1 1 19 19 PRO CG C 13 27.301 0.300 . 1 . . . . 19 PRO CG . 10160 1 160 . 1 1 19 19 PRO HG3 H 1 1.965 0.030 . 1 . . . . 19 PRO HG3 . 10160 1 161 . 1 1 19 19 PRO CD C 13 50.587 0.300 . 1 . . . . 19 PRO CD . 10160 1 162 . 1 1 19 19 PRO HD3 H 1 3.668 0.030 . 2 . . . . 19 PRO HD3 . 10160 1 163 . 1 1 19 19 PRO C C 13 176.659 0.300 . 1 . . . . 19 PRO C . 10160 1 164 . 1 1 19 19 PRO HB2 H 1 2.238 0.030 . 2 . . . . 19 PRO HB2 . 10160 1 165 . 1 1 19 19 PRO HD2 H 1 3.518 0.030 . 2 . . . . 19 PRO HD2 . 10160 1 166 . 1 1 19 19 PRO HG2 H 1 1.965 0.030 . 1 . . . . 19 PRO HG2 . 10160 1 167 . 1 1 20 20 ASN N N 15 118.582 0.300 . 1 . . . . 20 ASN N . 10160 1 168 . 1 1 20 20 ASN H H 1 8.508 0.030 . 1 . . . . 20 ASN H . 10160 1 169 . 1 1 20 20 ASN CA C 13 53.334 0.300 . 1 . . . . 20 ASN CA . 10160 1 170 . 1 1 20 20 ASN HA H 1 4.756 0.030 . 1 . . . . 20 ASN HA . 10160 1 171 . 1 1 20 20 ASN CB C 13 38.964 0.300 . 1 . . . . 20 ASN CB . 10160 1 172 . 1 1 20 20 ASN HB3 H 1 2.898 0.030 . 2 . . . . 20 ASN HB3 . 10160 1 173 . 1 1 20 20 ASN ND2 N 15 113.208 0.300 . 1 . . . . 20 ASN ND2 . 10160 1 174 . 1 1 20 20 ASN HD21 H 1 7.662 0.030 . 2 . . . . 20 ASN HD21 . 10160 1 175 . 1 1 20 20 ASN HD22 H 1 6.971 0.030 . 2 . . . . 20 ASN HD22 . 10160 1 176 . 1 1 20 20 ASN C C 13 175.301 0.300 . 1 . . . . 20 ASN C . 10160 1 177 . 1 1 20 20 ASN HB2 H 1 2.805 0.030 . 2 . . . . 20 ASN HB2 . 10160 1 178 . 1 1 21 21 SER N N 15 115.989 0.300 . 1 . . . . 21 SER N . 10160 1 179 . 1 1 21 21 SER H H 1 8.360 0.030 . 1 . . . . 21 SER H . 10160 1 180 . 1 1 21 21 SER CA C 13 58.877 0.300 . 1 . . . . 21 SER CA . 10160 1 181 . 1 1 21 21 SER HA H 1 4.481 0.030 . 1 . . . . 21 SER HA . 10160 1 182 . 1 1 21 21 SER CB C 13 63.988 0.300 . 1 . . . . 21 SER CB . 10160 1 183 . 1 1 21 21 SER HB3 H 1 3.965 0.030 . 1 . . . . 21 SER HB3 . 10160 1 184 . 1 1 21 21 SER C C 13 175.006 0.300 . 1 . . . . 21 SER C . 10160 1 185 . 1 1 21 21 SER HB2 H 1 3.965 0.030 . 1 . . . . 21 SER HB2 . 10160 1 186 . 1 1 22 22 GLY N N 15 110.974 0.300 . 1 . . . . 22 GLY N . 10160 1 187 . 1 1 22 22 GLY H H 1 8.523 0.030 . 1 . . . . 22 GLY H . 10160 1 188 . 1 1 22 22 GLY CA C 13 45.429 0.300 . 1 . . . . 22 GLY CA . 10160 1 189 . 1 1 22 22 GLY HA3 H 1 4.074 0.030 . 1 . . . . 22 GLY HA3 . 10160 1 190 . 1 1 22 22 GLY C C 13 173.860 0.300 . 1 . . . . 22 GLY C . 10160 1 191 . 1 1 22 22 GLY HA2 H 1 4.074 0.030 . 1 . . . . 22 GLY HA2 . 10160 1 192 . 1 1 23 23 SER N N 15 115.179 0.300 . 1 . . . . 23 SER N . 10160 1 193 . 1 1 23 23 SER H H 1 8.190 0.030 . 1 . . . . 23 SER H . 10160 1 194 . 1 1 23 23 SER CA C 13 58.233 0.300 . 1 . . . . 23 SER CA . 10160 1 195 . 1 1 23 23 SER HA H 1 4.511 0.030 . 1 . . . . 23 SER HA . 10160 1 196 . 1 1 23 23 SER CB C 13 64.511 0.300 . 1 . . . . 23 SER CB . 10160 1 197 . 1 1 23 23 SER HB3 H 1 3.783 0.030 . 2 . . . . 23 SER HB3 . 10160 1 198 . 1 1 23 23 SER C C 13 173.263 0.300 . 1 . . . . 23 SER C . 10160 1 199 . 1 1 23 23 SER HB2 H 1 3.825 0.030 . 2 . . . . 23 SER HB2 . 10160 1 200 . 1 1 24 24 VAL N N 15 122.289 0.300 . 1 . . . . 24 VAL N . 10160 1 201 . 1 1 24 24 VAL H H 1 7.889 0.030 . 1 . . . . 24 VAL H . 10160 1 202 . 1 1 24 24 VAL CA C 13 61.754 0.300 . 1 . . . . 24 VAL CA . 10160 1 203 . 1 1 24 24 VAL HA H 1 4.567 0.030 . 1 . . . . 24 VAL HA . 10160 1 204 . 1 1 24 24 VAL CB C 13 33.612 0.300 . 1 . . . . 24 VAL CB . 10160 1 205 . 1 1 24 24 VAL HB H 1 1.723 0.030 . 1 . . . . 24 VAL HB . 10160 1 206 . 1 1 24 24 VAL CG1 C 13 21.858 0.300 . 2 . . . . 24 VAL CG1 . 10160 1 207 . 1 1 24 24 VAL HG11 H 1 0.756 0.030 . 1 . . . . 24 VAL HG1 . 10160 1 208 . 1 1 24 24 VAL HG12 H 1 0.756 0.030 . 1 . . . . 24 VAL HG1 . 10160 1 209 . 1 1 24 24 VAL HG13 H 1 0.756 0.030 . 1 . . . . 24 VAL HG1 . 10160 1 210 . 1 1 24 24 VAL CG2 C 13 21.589 0.300 . 2 . . . . 24 VAL CG2 . 10160 1 211 . 1 1 24 24 VAL HG21 H 1 0.367 0.030 . 1 . . . . 24 VAL HG2 . 10160 1 212 . 1 1 24 24 VAL HG22 H 1 0.367 0.030 . 1 . . . . 24 VAL HG2 . 10160 1 213 . 1 1 24 24 VAL HG23 H 1 0.367 0.030 . 1 . . . . 24 VAL HG2 . 10160 1 214 . 1 1 24 24 VAL C C 13 174.799 0.300 . 1 . . . . 24 VAL C . 10160 1 215 . 1 1 25 25 SER N N 15 118.995 0.300 . 1 . . . . 25 SER N . 10160 1 216 . 1 1 25 25 SER H H 1 8.244 0.030 . 1 . . . . 25 SER H . 10160 1 217 . 1 1 25 25 SER CA C 13 57.102 0.300 . 1 . . . . 25 SER CA . 10160 1 218 . 1 1 25 25 SER HA H 1 5.039 0.030 . 1 . . . . 25 SER HA . 10160 1 219 . 1 1 25 25 SER CB C 13 66.338 0.300 . 1 . . . . 25 SER CB . 10160 1 220 . 1 1 25 25 SER HB3 H 1 3.876 0.030 . 1 . . . . 25 SER HB3 . 10160 1 221 . 1 1 25 25 SER C C 13 171.718 0.300 . 1 . . . . 25 SER C . 10160 1 222 . 1 1 25 25 SER HB2 H 1 3.876 0.030 . 1 . . . . 25 SER HB2 . 10160 1 223 . 1 1 26 26 ALA N N 15 121.537 0.300 . 1 . . . . 26 ALA N . 10160 1 224 . 1 1 26 26 ALA H H 1 8.503 0.030 . 1 . . . . 26 ALA H . 10160 1 225 . 1 1 26 26 ALA CA C 13 50.695 0.300 . 1 . . . . 26 ALA CA . 10160 1 226 . 1 1 26 26 ALA HA H 1 5.637 0.030 . 1 . . . . 26 ALA HA . 10160 1 227 . 1 1 26 26 ALA CB C 13 23.364 0.300 . 1 . . . . 26 ALA CB . 10160 1 228 . 1 1 26 26 ALA HB1 H 1 1.186 0.030 . 1 . . . . 26 ALA HB . 10160 1 229 . 1 1 26 26 ALA HB2 H 1 1.186 0.030 . 1 . . . . 26 ALA HB . 10160 1 230 . 1 1 26 26 ALA HB3 H 1 1.186 0.030 . 1 . . . . 26 ALA HB . 10160 1 231 . 1 1 26 26 ALA C C 13 175.355 0.300 . 1 . . . . 26 ALA C . 10160 1 232 . 1 1 27 27 TYR N N 15 116.588 0.300 . 1 . . . . 27 TYR N . 10160 1 233 . 1 1 27 27 TYR H H 1 8.885 0.030 . 1 . . . . 27 TYR H . 10160 1 234 . 1 1 27 27 TYR CA C 13 57.013 0.300 . 1 . . . . 27 TYR CA . 10160 1 235 . 1 1 27 27 TYR HA H 1 4.742 0.030 . 1 . . . . 27 TYR HA . 10160 1 236 . 1 1 27 27 TYR CB C 13 40.325 0.300 . 1 . . . . 27 TYR CB . 10160 1 237 . 1 1 27 27 TYR HB3 H 1 3.110 0.030 . 2 . . . . 27 TYR HB3 . 10160 1 238 . 1 1 27 27 TYR CD1 C 13 133.687 0.300 . 1 . . . . 27 TYR CD1 . 10160 1 239 . 1 1 27 27 TYR HD1 H 1 6.884 0.030 . 1 . . . . 27 TYR HD1 . 10160 1 240 . 1 1 27 27 TYR CD2 C 13 133.687 0.300 . 1 . . . . 27 TYR CD2 . 10160 1 241 . 1 1 27 27 TYR HD2 H 1 6.884 0.030 . 1 . . . . 27 TYR HD2 . 10160 1 242 . 1 1 27 27 TYR CE1 C 13 117.752 0.300 . 1 . . . . 27 TYR CE1 . 10160 1 243 . 1 1 27 27 TYR HE1 H 1 6.702 0.030 . 1 . . . . 27 TYR HE1 . 10160 1 244 . 1 1 27 27 TYR CE2 C 13 117.752 0.300 . 1 . . . . 27 TYR CE2 . 10160 1 245 . 1 1 27 27 TYR HE2 H 1 6.702 0.030 . 1 . . . . 27 TYR HE2 . 10160 1 246 . 1 1 27 27 TYR C C 13 172.990 0.300 . 1 . . . . 27 TYR C . 10160 1 247 . 1 1 27 27 TYR HB2 H 1 2.999 0.030 . 2 . . . . 27 TYR HB2 . 10160 1 248 . 1 1 28 28 GLY N N 15 108.423 0.300 . 1 . . . . 28 GLY N . 10160 1 249 . 1 1 28 28 GLY H H 1 8.475 0.030 . 1 . . . . 28 GLY H . 10160 1 250 . 1 1 28 28 GLY CA C 13 44.439 0.300 . 1 . . . . 28 GLY CA . 10160 1 251 . 1 1 28 28 GLY HA3 H 1 4.141 0.030 . 2 . . . . 28 GLY HA3 . 10160 1 252 . 1 1 28 28 GLY C C 13 173.419 0.300 . 1 . . . . 28 GLY C . 10160 1 253 . 1 1 28 28 GLY HA2 H 1 5.092 0.030 . 2 . . . . 28 GLY HA2 . 10160 1 254 . 1 1 29 29 PRO CA C 13 65.537 0.300 . 1 . . . . 29 PRO CA . 10160 1 255 . 1 1 29 29 PRO HA H 1 4.298 0.030 . 1 . . . . 29 PRO HA . 10160 1 256 . 1 1 29 29 PRO CB C 13 31.509 0.300 . 1 . . . . 29 PRO CB . 10160 1 257 . 1 1 29 29 PRO HB3 H 1 2.121 0.030 . 2 . . . . 29 PRO HB3 . 10160 1 258 . 1 1 29 29 PRO CG C 13 27.601 0.300 . 1 . . . . 29 PRO CG . 10160 1 259 . 1 1 29 29 PRO HG3 H 1 2.144 0.030 . 2 . . . . 29 PRO HG3 . 10160 1 260 . 1 1 29 29 PRO CD C 13 50.066 0.300 . 1 . . . . 29 PRO CD . 10160 1 261 . 1 1 29 29 PRO HD3 H 1 3.699 0.030 . 2 . . . . 29 PRO HD3 . 10160 1 262 . 1 1 29 29 PRO C C 13 178.493 0.300 . 1 . . . . 29 PRO C . 10160 1 263 . 1 1 29 29 PRO HB2 H 1 2.367 0.030 . 2 . . . . 29 PRO HB2 . 10160 1 264 . 1 1 29 29 PRO HD2 H 1 3.868 0.030 . 2 . . . . 29 PRO HD2 . 10160 1 265 . 1 1 29 29 PRO HG2 H 1 2.442 0.030 . 2 . . . . 29 PRO HG2 . 10160 1 266 . 1 1 30 30 GLY N N 15 102.459 0.300 . 1 . . . . 30 GLY N . 10160 1 267 . 1 1 30 30 GLY H H 1 8.655 0.030 . 1 . . . . 30 GLY H . 10160 1 268 . 1 1 30 30 GLY CA C 13 46.245 0.300 . 1 . . . . 30 GLY CA . 10160 1 269 . 1 1 30 30 GLY HA3 H 1 3.417 0.030 . 2 . . . . 30 GLY HA3 . 10160 1 270 . 1 1 30 30 GLY C C 13 172.945 0.300 . 1 . . . . 30 GLY C . 10160 1 271 . 1 1 30 30 GLY HA2 H 1 4.316 0.030 . 2 . . . . 30 GLY HA2 . 10160 1 272 . 1 1 31 31 LEU N N 15 116.436 0.300 . 1 . . . . 31 LEU N . 10160 1 273 . 1 1 31 31 LEU H H 1 7.049 0.030 . 1 . . . . 31 LEU H . 10160 1 274 . 1 1 31 31 LEU CA C 13 55.368 0.300 . 1 . . . . 31 LEU CA . 10160 1 275 . 1 1 31 31 LEU HA H 1 3.784 0.030 . 1 . . . . 31 LEU HA . 10160 1 276 . 1 1 31 31 LEU CB C 13 42.148 0.300 . 1 . . . . 31 LEU CB . 10160 1 277 . 1 1 31 31 LEU HB3 H 1 1.032 0.030 . 2 . . . . 31 LEU HB3 . 10160 1 278 . 1 1 31 31 LEU CG C 13 25.873 0.300 . 1 . . . . 31 LEU CG . 10160 1 279 . 1 1 31 31 LEU HG H 1 0.471 0.030 . 1 . . . . 31 LEU HG . 10160 1 280 . 1 1 31 31 LEU CD1 C 13 23.563 0.300 . 2 . . . . 31 LEU CD1 . 10160 1 281 . 1 1 31 31 LEU HD11 H 1 -0.153 0.030 . 1 . . . . 31 LEU HD1 . 10160 1 282 . 1 1 31 31 LEU HD12 H 1 -0.153 0.030 . 1 . . . . 31 LEU HD1 . 10160 1 283 . 1 1 31 31 LEU HD13 H 1 -0.153 0.030 . 1 . . . . 31 LEU HD1 . 10160 1 284 . 1 1 31 31 LEU CD2 C 13 19.390 0.300 . 2 . . . . 31 LEU CD2 . 10160 1 285 . 1 1 31 31 LEU HD21 H 1 -1.144 0.030 . 1 . . . . 31 LEU HD2 . 10160 1 286 . 1 1 31 31 LEU HD22 H 1 -1.144 0.030 . 1 . . . . 31 LEU HD2 . 10160 1 287 . 1 1 31 31 LEU HD23 H 1 -1.144 0.030 . 1 . . . . 31 LEU HD2 . 10160 1 288 . 1 1 31 31 LEU C C 13 175.321 0.300 . 1 . . . . 31 LEU C . 10160 1 289 . 1 1 31 31 LEU HB2 H 1 1.339 0.030 . 2 . . . . 31 LEU HB2 . 10160 1 290 . 1 1 32 32 VAL N N 15 112.078 0.300 . 1 . . . . 32 VAL N . 10160 1 291 . 1 1 32 32 VAL H H 1 7.739 0.030 . 1 . . . . 32 VAL H . 10160 1 292 . 1 1 32 32 VAL CA C 13 62.956 0.300 . 1 . . . . 32 VAL CA . 10160 1 293 . 1 1 32 32 VAL HA H 1 4.574 0.030 . 1 . . . . 32 VAL HA . 10160 1 294 . 1 1 32 32 VAL CB C 13 35.415 0.300 . 1 . . . . 32 VAL CB . 10160 1 295 . 1 1 32 32 VAL HB H 1 2.182 0.030 . 1 . . . . 32 VAL HB . 10160 1 296 . 1 1 32 32 VAL CG1 C 13 22.103 0.300 . 2 . . . . 32 VAL CG1 . 10160 1 297 . 1 1 32 32 VAL HG11 H 1 1.100 0.030 . 1 . . . . 32 VAL HG1 . 10160 1 298 . 1 1 32 32 VAL HG12 H 1 1.100 0.030 . 1 . . . . 32 VAL HG1 . 10160 1 299 . 1 1 32 32 VAL HG13 H 1 1.100 0.030 . 1 . . . . 32 VAL HG1 . 10160 1 300 . 1 1 32 32 VAL CG2 C 13 20.937 0.300 . 2 . . . . 32 VAL CG2 . 10160 1 301 . 1 1 32 32 VAL HG21 H 1 0.995 0.030 . 1 . . . . 32 VAL HG2 . 10160 1 302 . 1 1 32 32 VAL HG22 H 1 0.995 0.030 . 1 . . . . 32 VAL HG2 . 10160 1 303 . 1 1 32 32 VAL HG23 H 1 0.995 0.030 . 1 . . . . 32 VAL HG2 . 10160 1 304 . 1 1 32 32 VAL C C 13 176.810 0.300 . 1 . . . . 32 VAL C . 10160 1 305 . 1 1 33 33 TYR N N 15 121.116 0.300 . 1 . . . . 33 TYR N . 10160 1 306 . 1 1 33 33 TYR H H 1 8.638 0.030 . 1 . . . . 33 TYR H . 10160 1 307 . 1 1 33 33 TYR CA C 13 56.523 0.300 . 1 . . . . 33 TYR CA . 10160 1 308 . 1 1 33 33 TYR HA H 1 5.639 0.030 . 1 . . . . 33 TYR HA . 10160 1 309 . 1 1 33 33 TYR CB C 13 42.165 0.300 . 1 . . . . 33 TYR CB . 10160 1 310 . 1 1 33 33 TYR HB3 H 1 3.088 0.030 . 2 . . . . 33 TYR HB3 . 10160 1 311 . 1 1 33 33 TYR CD1 C 13 133.625 0.300 . 1 . . . . 33 TYR CD1 . 10160 1 312 . 1 1 33 33 TYR HD1 H 1 7.103 0.030 . 1 . . . . 33 TYR HD1 . 10160 1 313 . 1 1 33 33 TYR CD2 C 13 133.625 0.300 . 1 . . . . 33 TYR CD2 . 10160 1 314 . 1 1 33 33 TYR HD2 H 1 7.103 0.030 . 1 . . . . 33 TYR HD2 . 10160 1 315 . 1 1 33 33 TYR CE1 C 13 117.987 0.300 . 1 . . . . 33 TYR CE1 . 10160 1 316 . 1 1 33 33 TYR HE1 H 1 6.813 0.030 . 1 . . . . 33 TYR HE1 . 10160 1 317 . 1 1 33 33 TYR CE2 C 13 117.987 0.300 . 1 . . . . 33 TYR CE2 . 10160 1 318 . 1 1 33 33 TYR HE2 H 1 6.813 0.030 . 1 . . . . 33 TYR HE2 . 10160 1 319 . 1 1 33 33 TYR C C 13 172.858 0.300 . 1 . . . . 33 TYR C . 10160 1 320 . 1 1 33 33 TYR HB2 H 1 3.230 0.030 . 2 . . . . 33 TYR HB2 . 10160 1 321 . 1 1 34 34 GLY N N 15 107.313 0.300 . 1 . . . . 34 GLY N . 10160 1 322 . 1 1 34 34 GLY H H 1 7.637 0.030 . 1 . . . . 34 GLY H . 10160 1 323 . 1 1 34 34 GLY CA C 13 44.721 0.300 . 1 . . . . 34 GLY CA . 10160 1 324 . 1 1 34 34 GLY HA3 H 1 3.793 0.030 . 2 . . . . 34 GLY HA3 . 10160 1 325 . 1 1 34 34 GLY C C 13 170.727 0.300 . 1 . . . . 34 GLY C . 10160 1 326 . 1 1 34 34 GLY HA2 H 1 3.873 0.030 . 2 . . . . 34 GLY HA2 . 10160 1 327 . 1 1 35 35 VAL N N 15 120.853 0.300 . 1 . . . . 35 VAL N . 10160 1 328 . 1 1 35 35 VAL H H 1 8.731 0.030 . 1 . . . . 35 VAL H . 10160 1 329 . 1 1 35 35 VAL CA C 13 60.627 0.300 . 1 . . . . 35 VAL CA . 10160 1 330 . 1 1 35 35 VAL HA H 1 4.589 0.030 . 1 . . . . 35 VAL HA . 10160 1 331 . 1 1 35 35 VAL CB C 13 35.374 0.300 . 1 . . . . 35 VAL CB . 10160 1 332 . 1 1 35 35 VAL HB H 1 1.641 0.030 . 1 . . . . 35 VAL HB . 10160 1 333 . 1 1 35 35 VAL CG1 C 13 21.132 0.300 . 2 . . . . 35 VAL CG1 . 10160 1 334 . 1 1 35 35 VAL HG11 H 1 0.941 0.030 . 1 . . . . 35 VAL HG1 . 10160 1 335 . 1 1 35 35 VAL HG12 H 1 0.941 0.030 . 1 . . . . 35 VAL HG1 . 10160 1 336 . 1 1 35 35 VAL HG13 H 1 0.941 0.030 . 1 . . . . 35 VAL HG1 . 10160 1 337 . 1 1 35 35 VAL CG2 C 13 21.251 0.300 . 2 . . . . 35 VAL CG2 . 10160 1 338 . 1 1 35 35 VAL HG21 H 1 0.831 0.030 . 1 . . . . 35 VAL HG2 . 10160 1 339 . 1 1 35 35 VAL HG22 H 1 0.831 0.030 . 1 . . . . 35 VAL HG2 . 10160 1 340 . 1 1 35 35 VAL HG23 H 1 0.831 0.030 . 1 . . . . 35 VAL HG2 . 10160 1 341 . 1 1 35 35 VAL C C 13 174.813 0.300 . 1 . . . . 35 VAL C . 10160 1 342 . 1 1 36 36 ALA N N 15 127.708 0.300 . 1 . . . . 36 ALA N . 10160 1 343 . 1 1 36 36 ALA H H 1 8.482 0.030 . 1 . . . . 36 ALA H . 10160 1 344 . 1 1 36 36 ALA CA C 13 53.332 0.300 . 1 . . . . 36 ALA CA . 10160 1 345 . 1 1 36 36 ALA HA H 1 3.535 0.030 . 1 . . . . 36 ALA HA . 10160 1 346 . 1 1 36 36 ALA CB C 13 17.653 0.300 . 1 . . . . 36 ALA CB . 10160 1 347 . 1 1 36 36 ALA HB1 H 1 0.998 0.030 . 1 . . . . 36 ALA HB . 10160 1 348 . 1 1 36 36 ALA HB2 H 1 0.998 0.030 . 1 . . . . 36 ALA HB . 10160 1 349 . 1 1 36 36 ALA HB3 H 1 0.998 0.030 . 1 . . . . 36 ALA HB . 10160 1 350 . 1 1 36 36 ALA C C 13 176.968 0.300 . 1 . . . . 36 ALA C . 10160 1 351 . 1 1 37 37 ASN N N 15 111.234 0.300 . 1 . . . . 37 ASN N . 10160 1 352 . 1 1 37 37 ASN H H 1 9.147 0.030 . 1 . . . . 37 ASN H . 10160 1 353 . 1 1 37 37 ASN CA C 13 55.728 0.300 . 1 . . . . 37 ASN CA . 10160 1 354 . 1 1 37 37 ASN HA H 1 3.962 0.030 . 1 . . . . 37 ASN HA . 10160 1 355 . 1 1 37 37 ASN CB C 13 37.147 0.300 . 1 . . . . 37 ASN CB . 10160 1 356 . 1 1 37 37 ASN HB3 H 1 3.071 0.030 . 2 . . . . 37 ASN HB3 . 10160 1 357 . 1 1 37 37 ASN ND2 N 15 113.783 0.300 . 1 . . . . 37 ASN ND2 . 10160 1 358 . 1 1 37 37 ASN HD21 H 1 6.687 0.030 . 2 . . . . 37 ASN HD21 . 10160 1 359 . 1 1 37 37 ASN HD22 H 1 7.616 0.030 . 2 . . . . 37 ASN HD22 . 10160 1 360 . 1 1 37 37 ASN C C 13 173.119 0.300 . 1 . . . . 37 ASN C . 10160 1 361 . 1 1 37 37 ASN HB2 H 1 2.919 0.030 . 2 . . . . 37 ASN HB2 . 10160 1 362 . 1 1 38 38 LYS N N 15 119.100 0.300 . 1 . . . . 38 LYS N . 10160 1 363 . 1 1 38 38 LYS H H 1 7.972 0.030 . 1 . . . . 38 LYS H . 10160 1 364 . 1 1 38 38 LYS CA C 13 54.306 0.300 . 1 . . . . 38 LYS CA . 10160 1 365 . 1 1 38 38 LYS HA H 1 4.606 0.030 . 1 . . . . 38 LYS HA . 10160 1 366 . 1 1 38 38 LYS CB C 13 34.799 0.300 . 1 . . . . 38 LYS CB . 10160 1 367 . 1 1 38 38 LYS HB3 H 1 1.772 0.030 . 2 . . . . 38 LYS HB3 . 10160 1 368 . 1 1 38 38 LYS CG C 13 24.906 0.300 . 1 . . . . 38 LYS CG . 10160 1 369 . 1 1 38 38 LYS HG3 H 1 1.304 0.030 . 1 . . . . 38 LYS HG3 . 10160 1 370 . 1 1 38 38 LYS CD C 13 28.778 0.300 . 1 . . . . 38 LYS CD . 10160 1 371 . 1 1 38 38 LYS HD3 H 1 1.659 0.030 . 2 . . . . 38 LYS HD3 . 10160 1 372 . 1 1 38 38 LYS CE C 13 42.298 0.300 . 1 . . . . 38 LYS CE . 10160 1 373 . 1 1 38 38 LYS HE3 H 1 2.992 0.030 . 2 . . . . 38 LYS HE3 . 10160 1 374 . 1 1 38 38 LYS C C 13 175.533 0.300 . 1 . . . . 38 LYS C . 10160 1 375 . 1 1 38 38 LYS HB2 H 1 1.668 0.030 . 2 . . . . 38 LYS HB2 . 10160 1 376 . 1 1 38 38 LYS HD2 H 1 1.561 0.030 . 2 . . . . 38 LYS HD2 . 10160 1 377 . 1 1 38 38 LYS HE2 H 1 2.943 0.030 . 2 . . . . 38 LYS HE2 . 10160 1 378 . 1 1 38 38 LYS HG2 H 1 1.304 0.030 . 1 . . . . 38 LYS HG2 . 10160 1 379 . 1 1 39 39 THR N N 15 114.730 0.300 . 1 . . . . 39 THR N . 10160 1 380 . 1 1 39 39 THR H H 1 8.158 0.030 . 1 . . . . 39 THR H . 10160 1 381 . 1 1 39 39 THR CA C 13 63.302 0.300 . 1 . . . . 39 THR CA . 10160 1 382 . 1 1 39 39 THR HA H 1 4.138 0.030 . 1 . . . . 39 THR HA . 10160 1 383 . 1 1 39 39 THR CB C 13 69.652 0.300 . 1 . . . . 39 THR CB . 10160 1 384 . 1 1 39 39 THR HB H 1 3.871 0.030 . 1 . . . . 39 THR HB . 10160 1 385 . 1 1 39 39 THR CG2 C 13 22.844 0.300 . 1 . . . . 39 THR CG2 . 10160 1 386 . 1 1 39 39 THR HG21 H 1 1.069 0.030 . 1 . . . . 39 THR HG2 . 10160 1 387 . 1 1 39 39 THR HG22 H 1 1.069 0.030 . 1 . . . . 39 THR HG2 . 10160 1 388 . 1 1 39 39 THR HG23 H 1 1.069 0.030 . 1 . . . . 39 THR HG2 . 10160 1 389 . 1 1 39 39 THR C C 13 174.281 0.300 . 1 . . . . 39 THR C . 10160 1 390 . 1 1 40 40 ALA N N 15 129.891 0.300 . 1 . . . . 40 ALA N . 10160 1 391 . 1 1 40 40 ALA H H 1 8.750 0.030 . 1 . . . . 40 ALA H . 10160 1 392 . 1 1 40 40 ALA CA C 13 50.399 0.300 . 1 . . . . 40 ALA CA . 10160 1 393 . 1 1 40 40 ALA HA H 1 4.702 0.030 . 1 . . . . 40 ALA HA . 10160 1 394 . 1 1 40 40 ALA CB C 13 20.495 0.300 . 1 . . . . 40 ALA CB . 10160 1 395 . 1 1 40 40 ALA HB1 H 1 0.631 0.030 . 1 . . . . 40 ALA HB . 10160 1 396 . 1 1 40 40 ALA HB2 H 1 0.631 0.030 . 1 . . . . 40 ALA HB . 10160 1 397 . 1 1 40 40 ALA HB3 H 1 0.631 0.030 . 1 . . . . 40 ALA HB . 10160 1 398 . 1 1 40 40 ALA C C 13 176.039 0.300 . 1 . . . . 40 ALA C . 10160 1 399 . 1 1 41 41 THR N N 15 112.902 0.300 . 1 . . . . 41 THR N . 10160 1 400 . 1 1 41 41 THR H H 1 8.536 0.030 . 1 . . . . 41 THR H . 10160 1 401 . 1 1 41 41 THR CA C 13 59.688 0.300 . 1 . . . . 41 THR CA . 10160 1 402 . 1 1 41 41 THR HA H 1 5.779 0.030 . 1 . . . . 41 THR HA . 10160 1 403 . 1 1 41 41 THR CB C 13 72.348 0.300 . 1 . . . . 41 THR CB . 10160 1 404 . 1 1 41 41 THR HB H 1 3.800 0.030 . 1 . . . . 41 THR HB . 10160 1 405 . 1 1 41 41 THR CG2 C 13 20.316 0.300 . 1 . . . . 41 THR CG2 . 10160 1 406 . 1 1 41 41 THR HG21 H 1 1.077 0.030 . 1 . . . . 41 THR HG2 . 10160 1 407 . 1 1 41 41 THR HG22 H 1 1.077 0.030 . 1 . . . . 41 THR HG2 . 10160 1 408 . 1 1 41 41 THR HG23 H 1 1.077 0.030 . 1 . . . . 41 THR HG2 . 10160 1 409 . 1 1 41 41 THR C C 13 173.286 0.300 . 1 . . . . 41 THR C . 10160 1 410 . 1 1 42 42 PHE N N 15 119.525 0.300 . 1 . . . . 42 PHE N . 10160 1 411 . 1 1 42 42 PHE H H 1 8.825 0.030 . 1 . . . . 42 PHE H . 10160 1 412 . 1 1 42 42 PHE CA C 13 57.031 0.300 . 1 . . . . 42 PHE CA . 10160 1 413 . 1 1 42 42 PHE HA H 1 5.013 0.030 . 1 . . . . 42 PHE HA . 10160 1 414 . 1 1 42 42 PHE CB C 13 40.155 0.300 . 1 . . . . 42 PHE CB . 10160 1 415 . 1 1 42 42 PHE HB3 H 1 2.694 0.030 . 2 . . . . 42 PHE HB3 . 10160 1 416 . 1 1 42 42 PHE CD1 C 13 132.410 0.300 . 1 . . . . 42 PHE CD1 . 10160 1 417 . 1 1 42 42 PHE HD1 H 1 6.665 0.030 . 1 . . . . 42 PHE HD1 . 10160 1 418 . 1 1 42 42 PHE CD2 C 13 132.410 0.300 . 1 . . . . 42 PHE CD2 . 10160 1 419 . 1 1 42 42 PHE HD2 H 1 6.665 0.030 . 1 . . . . 42 PHE HD2 . 10160 1 420 . 1 1 42 42 PHE CE1 C 13 130.268 0.300 . 1 . . . . 42 PHE CE1 . 10160 1 421 . 1 1 42 42 PHE HE1 H 1 6.822 0.030 . 1 . . . . 42 PHE HE1 . 10160 1 422 . 1 1 42 42 PHE CE2 C 13 130.268 0.300 . 1 . . . . 42 PHE CE2 . 10160 1 423 . 1 1 42 42 PHE HE2 H 1 6.822 0.030 . 1 . . . . 42 PHE HE2 . 10160 1 424 . 1 1 42 42 PHE CZ C 13 129.259 0.300 . 1 . . . . 42 PHE CZ . 10160 1 425 . 1 1 42 42 PHE HZ H 1 6.732 0.030 . 1 . . . . 42 PHE HZ . 10160 1 426 . 1 1 42 42 PHE C C 13 171.282 0.300 . 1 . . . . 42 PHE C . 10160 1 427 . 1 1 42 42 PHE HB2 H 1 3.002 0.030 . 2 . . . . 42 PHE HB2 . 10160 1 428 . 1 1 43 43 THR N N 15 117.427 0.300 . 1 . . . . 43 THR N . 10160 1 429 . 1 1 43 43 THR H H 1 9.210 0.030 . 1 . . . . 43 THR H . 10160 1 430 . 1 1 43 43 THR CA C 13 62.250 0.300 . 1 . . . . 43 THR CA . 10160 1 431 . 1 1 43 43 THR HA H 1 4.987 0.030 . 1 . . . . 43 THR HA . 10160 1 432 . 1 1 43 43 THR CB C 13 71.510 0.300 . 1 . . . . 43 THR CB . 10160 1 433 . 1 1 43 43 THR HB H 1 2.841 0.030 . 1 . . . . 43 THR HB . 10160 1 434 . 1 1 43 43 THR CG2 C 13 21.526 0.300 . 1 . . . . 43 THR CG2 . 10160 1 435 . 1 1 43 43 THR HG21 H 1 1.055 0.030 . 1 . . . . 43 THR HG2 . 10160 1 436 . 1 1 43 43 THR HG22 H 1 1.055 0.030 . 1 . . . . 43 THR HG2 . 10160 1 437 . 1 1 43 43 THR HG23 H 1 1.055 0.030 . 1 . . . . 43 THR HG2 . 10160 1 438 . 1 1 43 43 THR C C 13 173.061 0.300 . 1 . . . . 43 THR C . 10160 1 439 . 1 1 44 44 ILE N N 15 123.638 0.300 . 1 . . . . 44 ILE N . 10160 1 440 . 1 1 44 44 ILE H H 1 8.859 0.030 . 1 . . . . 44 ILE H . 10160 1 441 . 1 1 44 44 ILE CA C 13 59.843 0.300 . 1 . . . . 44 ILE CA . 10160 1 442 . 1 1 44 44 ILE HA H 1 4.824 0.030 . 1 . . . . 44 ILE HA . 10160 1 443 . 1 1 44 44 ILE CB C 13 40.866 0.300 . 1 . . . . 44 ILE CB . 10160 1 444 . 1 1 44 44 ILE HB H 1 1.531 0.030 . 1 . . . . 44 ILE HB . 10160 1 445 . 1 1 44 44 ILE CG1 C 13 28.037 0.300 . 1 . . . . 44 ILE CG1 . 10160 1 446 . 1 1 44 44 ILE HG13 H 1 0.986 0.030 . 2 . . . . 44 ILE HG13 . 10160 1 447 . 1 1 44 44 ILE CG2 C 13 17.915 0.300 . 1 . . . . 44 ILE CG2 . 10160 1 448 . 1 1 44 44 ILE HG21 H 1 0.819 0.030 . 1 . . . . 44 ILE HG2 . 10160 1 449 . 1 1 44 44 ILE HG22 H 1 0.819 0.030 . 1 . . . . 44 ILE HG2 . 10160 1 450 . 1 1 44 44 ILE HG23 H 1 0.819 0.030 . 1 . . . . 44 ILE HG2 . 10160 1 451 . 1 1 44 44 ILE CD1 C 13 15.751 0.300 . 1 . . . . 44 ILE CD1 . 10160 1 452 . 1 1 44 44 ILE HD11 H 1 0.899 0.030 . 1 . . . . 44 ILE HD1 . 10160 1 453 . 1 1 44 44 ILE HD12 H 1 0.899 0.030 . 1 . . . . 44 ILE HD1 . 10160 1 454 . 1 1 44 44 ILE HD13 H 1 0.899 0.030 . 1 . . . . 44 ILE HD1 . 10160 1 455 . 1 1 44 44 ILE C C 13 174.707 0.300 . 1 . . . . 44 ILE C . 10160 1 456 . 1 1 44 44 ILE HG12 H 1 1.659 0.030 . 2 . . . . 44 ILE HG12 . 10160 1 457 . 1 1 45 45 VAL N N 15 128.904 0.300 . 1 . . . . 45 VAL N . 10160 1 458 . 1 1 45 45 VAL H H 1 9.299 0.030 . 1 . . . . 45 VAL H . 10160 1 459 . 1 1 45 45 VAL CA C 13 62.119 0.300 . 1 . . . . 45 VAL CA . 10160 1 460 . 1 1 45 45 VAL HA H 1 4.492 0.030 . 1 . . . . 45 VAL HA . 10160 1 461 . 1 1 45 45 VAL CB C 13 32.683 0.300 . 1 . . . . 45 VAL CB . 10160 1 462 . 1 1 45 45 VAL HB H 1 2.216 0.030 . 1 . . . . 45 VAL HB . 10160 1 463 . 1 1 45 45 VAL CG1 C 13 21.411 0.300 . 1 . . . . 45 VAL CG1 . 10160 1 464 . 1 1 45 45 VAL HG11 H 1 1.041 0.030 . 1 . . . . 45 VAL HG1 . 10160 1 465 . 1 1 45 45 VAL HG12 H 1 1.041 0.030 . 1 . . . . 45 VAL HG1 . 10160 1 466 . 1 1 45 45 VAL HG13 H 1 1.041 0.030 . 1 . . . . 45 VAL HG1 . 10160 1 467 . 1 1 45 45 VAL CG2 C 13 21.411 0.300 . 1 . . . . 45 VAL CG2 . 10160 1 468 . 1 1 45 45 VAL HG21 H 1 1.034 0.030 . 1 . . . . 45 VAL HG2 . 10160 1 469 . 1 1 45 45 VAL HG22 H 1 1.034 0.030 . 1 . . . . 45 VAL HG2 . 10160 1 470 . 1 1 45 45 VAL HG23 H 1 1.034 0.030 . 1 . . . . 45 VAL HG2 . 10160 1 471 . 1 1 45 45 VAL C C 13 175.606 0.300 . 1 . . . . 45 VAL C . 10160 1 472 . 1 1 46 46 THR N N 15 117.412 0.300 . 1 . . . . 46 THR N . 10160 1 473 . 1 1 46 46 THR H H 1 8.434 0.030 . 1 . . . . 46 THR H . 10160 1 474 . 1 1 46 46 THR CA C 13 60.650 0.300 . 1 . . . . 46 THR CA . 10160 1 475 . 1 1 46 46 THR HA H 1 4.505 0.030 . 1 . . . . 46 THR HA . 10160 1 476 . 1 1 46 46 THR CB C 13 69.432 0.300 . 1 . . . . 46 THR CB . 10160 1 477 . 1 1 46 46 THR HB H 1 4.204 0.030 . 1 . . . . 46 THR HB . 10160 1 478 . 1 1 46 46 THR CG2 C 13 21.512 0.300 . 1 . . . . 46 THR CG2 . 10160 1 479 . 1 1 46 46 THR HG21 H 1 0.958 0.030 . 1 . . . . 46 THR HG2 . 10160 1 480 . 1 1 46 46 THR HG22 H 1 0.958 0.030 . 1 . . . . 46 THR HG2 . 10160 1 481 . 1 1 46 46 THR HG23 H 1 0.958 0.030 . 1 . . . . 46 THR HG2 . 10160 1 482 . 1 1 46 46 THR C C 13 174.882 0.300 . 1 . . . . 46 THR C . 10160 1 483 . 1 1 47 47 GLU N N 15 122.657 0.300 . 1 . . . . 47 GLU N . 10160 1 484 . 1 1 47 47 GLU H H 1 8.052 0.030 . 1 . . . . 47 GLU H . 10160 1 485 . 1 1 47 47 GLU CA C 13 57.419 0.300 . 1 . . . . 47 GLU CA . 10160 1 486 . 1 1 47 47 GLU HA H 1 4.231 0.030 . 1 . . . . 47 GLU HA . 10160 1 487 . 1 1 47 47 GLU CB C 13 30.281 0.300 . 1 . . . . 47 GLU CB . 10160 1 488 . 1 1 47 47 GLU HB3 H 1 2.035 0.030 . 1 . . . . 47 GLU HB3 . 10160 1 489 . 1 1 47 47 GLU CG C 13 35.951 0.300 . 1 . . . . 47 GLU CG . 10160 1 490 . 1 1 47 47 GLU HG3 H 1 2.223 0.030 . 1 . . . . 47 GLU HG3 . 10160 1 491 . 1 1 47 47 GLU C C 13 175.887 0.300 . 1 . . . . 47 GLU C . 10160 1 492 . 1 1 47 47 GLU HB2 H 1 2.035 0.030 . 1 . . . . 47 GLU HB2 . 10160 1 493 . 1 1 47 47 GLU HG2 H 1 2.223 0.030 . 1 . . . . 47 GLU HG2 . 10160 1 494 . 1 1 48 48 ASP N N 15 120.269 0.300 . 1 . . . . 48 ASP N . 10160 1 495 . 1 1 48 48 ASP H H 1 8.536 0.030 . 1 . . . . 48 ASP H . 10160 1 496 . 1 1 48 48 ASP CA C 13 54.396 0.300 . 1 . . . . 48 ASP CA . 10160 1 497 . 1 1 48 48 ASP HA H 1 4.638 0.030 . 1 . . . . 48 ASP HA . 10160 1 498 . 1 1 48 48 ASP CB C 13 40.979 0.300 . 1 . . . . 48 ASP CB . 10160 1 499 . 1 1 48 48 ASP HB3 H 1 2.599 0.030 . 2 . . . . 48 ASP HB3 . 10160 1 500 . 1 1 48 48 ASP C C 13 175.709 0.300 . 1 . . . . 48 ASP C . 10160 1 501 . 1 1 48 48 ASP HB2 H 1 2.796 0.030 . 2 . . . . 48 ASP HB2 . 10160 1 502 . 1 1 49 49 ALA N N 15 122.506 0.300 . 1 . . . . 49 ALA N . 10160 1 503 . 1 1 49 49 ALA H H 1 8.109 0.030 . 1 . . . . 49 ALA H . 10160 1 504 . 1 1 49 49 ALA CA C 13 52.774 0.300 . 1 . . . . 49 ALA CA . 10160 1 505 . 1 1 49 49 ALA HA H 1 4.195 0.030 . 1 . . . . 49 ALA HA . 10160 1 506 . 1 1 49 49 ALA CB C 13 19.343 0.300 . 1 . . . . 49 ALA CB . 10160 1 507 . 1 1 49 49 ALA HB1 H 1 1.201 0.030 . 1 . . . . 49 ALA HB . 10160 1 508 . 1 1 49 49 ALA HB2 H 1 1.201 0.030 . 1 . . . . 49 ALA HB . 10160 1 509 . 1 1 49 49 ALA HB3 H 1 1.201 0.030 . 1 . . . . 49 ALA HB . 10160 1 510 . 1 1 49 49 ALA C C 13 178.316 0.300 . 1 . . . . 49 ALA C . 10160 1 511 . 1 1 50 50 GLY N N 15 107.563 0.300 . 1 . . . . 50 GLY N . 10160 1 512 . 1 1 50 50 GLY H H 1 8.269 0.030 . 1 . . . . 50 GLY H . 10160 1 513 . 1 1 50 50 GLY CA C 13 45.288 0.300 . 1 . . . . 50 GLY CA . 10160 1 514 . 1 1 50 50 GLY HA3 H 1 3.993 0.030 . 1 . . . . 50 GLY HA3 . 10160 1 515 . 1 1 50 50 GLY C C 13 174.421 0.300 . 1 . . . . 50 GLY C . 10160 1 516 . 1 1 50 50 GLY HA2 H 1 3.993 0.030 . 1 . . . . 50 GLY HA2 . 10160 1 517 . 1 1 51 51 GLU N N 15 121.358 0.300 . 1 . . . . 51 GLU N . 10160 1 518 . 1 1 51 51 GLU H H 1 8.519 0.030 . 1 . . . . 51 GLU H . 10160 1 519 . 1 1 51 51 GLU CA C 13 56.890 0.300 . 1 . . . . 51 GLU CA . 10160 1 520 . 1 1 51 51 GLU HA H 1 4.309 0.030 . 1 . . . . 51 GLU HA . 10160 1 521 . 1 1 51 51 GLU CB C 13 30.204 0.300 . 1 . . . . 51 GLU CB . 10160 1 522 . 1 1 51 51 GLU HB3 H 1 2.062 0.030 . 2 . . . . 51 GLU HB3 . 10160 1 523 . 1 1 51 51 GLU CG C 13 36.173 0.300 . 1 . . . . 51 GLU CG . 10160 1 524 . 1 1 51 51 GLU HG3 H 1 2.259 0.030 . 1 . . . . 51 GLU HG3 . 10160 1 525 . 1 1 51 51 GLU C C 13 177.003 0.300 . 1 . . . . 51 GLU C . 10160 1 526 . 1 1 51 51 GLU HB2 H 1 1.971 0.030 . 2 . . . . 51 GLU HB2 . 10160 1 527 . 1 1 51 51 GLU HG2 H 1 2.259 0.030 . 1 . . . . 51 GLU HG2 . 10160 1 528 . 1 1 52 52 GLY N N 15 109.575 0.300 . 1 . . . . 52 GLY N . 10160 1 529 . 1 1 52 52 GLY H H 1 8.349 0.030 . 1 . . . . 52 GLY H . 10160 1 530 . 1 1 52 52 GLY CA C 13 45.571 0.300 . 1 . . . . 52 GLY CA . 10160 1 531 . 1 1 52 52 GLY HA3 H 1 3.895 0.030 . 2 . . . . 52 GLY HA3 . 10160 1 532 . 1 1 52 52 GLY C C 13 173.666 0.300 . 1 . . . . 52 GLY C . 10160 1 533 . 1 1 52 52 GLY HA2 H 1 3.810 0.030 . 2 . . . . 52 GLY HA2 . 10160 1 534 . 1 1 53 53 GLY N N 15 106.657 0.300 . 1 . . . . 53 GLY N . 10160 1 535 . 1 1 53 53 GLY H H 1 7.893 0.030 . 1 . . . . 53 GLY H . 10160 1 536 . 1 1 53 53 GLY CA C 13 45.199 0.300 . 1 . . . . 53 GLY CA . 10160 1 537 . 1 1 53 53 GLY HA3 H 1 3.613 0.030 . 2 . . . . 53 GLY HA3 . 10160 1 538 . 1 1 53 53 GLY C C 13 173.414 0.300 . 1 . . . . 53 GLY C . 10160 1 539 . 1 1 53 53 GLY HA2 H 1 4.036 0.030 . 2 . . . . 53 GLY HA2 . 10160 1 540 . 1 1 54 54 LEU N N 15 124.121 0.300 . 1 . . . . 54 LEU N . 10160 1 541 . 1 1 54 54 LEU H H 1 8.241 0.030 . 1 . . . . 54 LEU H . 10160 1 542 . 1 1 54 54 LEU CA C 13 54.528 0.300 . 1 . . . . 54 LEU CA . 10160 1 543 . 1 1 54 54 LEU HA H 1 5.056 0.030 . 1 . . . . 54 LEU HA . 10160 1 544 . 1 1 54 54 LEU CB C 13 44.325 0.300 . 1 . . . . 54 LEU CB . 10160 1 545 . 1 1 54 54 LEU HB3 H 1 1.616 0.030 . 1 . . . . 54 LEU HB3 . 10160 1 546 . 1 1 54 54 LEU CG C 13 27.461 0.300 . 1 . . . . 54 LEU CG . 10160 1 547 . 1 1 54 54 LEU HG H 1 1.613 0.030 . 1 . . . . 54 LEU HG . 10160 1 548 . 1 1 54 54 LEU CD1 C 13 25.217 0.300 . 1 . . . . 54 LEU CD1 . 10160 1 549 . 1 1 54 54 LEU HD11 H 1 0.916 0.030 . 1 . . . . 54 LEU HD1 . 10160 1 550 . 1 1 54 54 LEU HD12 H 1 0.916 0.030 . 1 . . . . 54 LEU HD1 . 10160 1 551 . 1 1 54 54 LEU HD13 H 1 0.916 0.030 . 1 . . . . 54 LEU HD1 . 10160 1 552 . 1 1 54 54 LEU CD2 C 13 25.217 0.300 . 1 . . . . 54 LEU CD2 . 10160 1 553 . 1 1 54 54 LEU HD21 H 1 0.916 0.030 . 1 . . . . 54 LEU HD2 . 10160 1 554 . 1 1 54 54 LEU HD22 H 1 0.916 0.030 . 1 . . . . 54 LEU HD2 . 10160 1 555 . 1 1 54 54 LEU HD23 H 1 0.916 0.030 . 1 . . . . 54 LEU HD2 . 10160 1 556 . 1 1 54 54 LEU C C 13 176.080 0.300 . 1 . . . . 54 LEU C . 10160 1 557 . 1 1 54 54 LEU HB2 H 1 1.616 0.030 . 1 . . . . 54 LEU HB2 . 10160 1 558 . 1 1 55 55 ASP N N 15 126.024 0.300 . 1 . . . . 55 ASP N . 10160 1 559 . 1 1 55 55 ASP H H 1 8.981 0.030 . 1 . . . . 55 ASP H . 10160 1 560 . 1 1 55 55 ASP CA C 13 54.095 0.300 . 1 . . . . 55 ASP CA . 10160 1 561 . 1 1 55 55 ASP HA H 1 4.879 0.030 . 1 . . . . 55 ASP HA . 10160 1 562 . 1 1 55 55 ASP CB C 13 44.582 0.300 . 1 . . . . 55 ASP CB . 10160 1 563 . 1 1 55 55 ASP HB3 H 1 2.375 0.030 . 2 . . . . 55 ASP HB3 . 10160 1 564 . 1 1 55 55 ASP C C 13 173.601 0.300 . 1 . . . . 55 ASP C . 10160 1 565 . 1 1 55 55 ASP HB2 H 1 2.538 0.030 . 2 . . . . 55 ASP HB2 . 10160 1 566 . 1 1 56 56 LEU N N 15 125.098 0.300 . 1 . . . . 56 LEU N . 10160 1 567 . 1 1 56 56 LEU H H 1 8.300 0.030 . 1 . . . . 56 LEU H . 10160 1 568 . 1 1 56 56 LEU CA C 13 53.221 0.300 . 1 . . . . 56 LEU CA . 10160 1 569 . 1 1 56 56 LEU HA H 1 5.422 0.030 . 1 . . . . 56 LEU HA . 10160 1 570 . 1 1 56 56 LEU CB C 13 46.028 0.300 . 1 . . . . 56 LEU CB . 10160 1 571 . 1 1 56 56 LEU HB3 H 1 1.591 0.030 . 2 . . . . 56 LEU HB3 . 10160 1 572 . 1 1 56 56 LEU CG C 13 27.787 0.300 . 1 . . . . 56 LEU CG . 10160 1 573 . 1 1 56 56 LEU HG H 1 1.590 0.030 . 1 . . . . 56 LEU HG . 10160 1 574 . 1 1 56 56 LEU CD1 C 13 26.096 0.300 . 2 . . . . 56 LEU CD1 . 10160 1 575 . 1 1 56 56 LEU HD11 H 1 0.914 0.030 . 1 . . . . 56 LEU HD1 . 10160 1 576 . 1 1 56 56 LEU HD12 H 1 0.914 0.030 . 1 . . . . 56 LEU HD1 . 10160 1 577 . 1 1 56 56 LEU HD13 H 1 0.914 0.030 . 1 . . . . 56 LEU HD1 . 10160 1 578 . 1 1 56 56 LEU CD2 C 13 26.885 0.300 . 2 . . . . 56 LEU CD2 . 10160 1 579 . 1 1 56 56 LEU HD21 H 1 0.941 0.030 . 1 . . . . 56 LEU HD2 . 10160 1 580 . 1 1 56 56 LEU HD22 H 1 0.941 0.030 . 1 . . . . 56 LEU HD2 . 10160 1 581 . 1 1 56 56 LEU HD23 H 1 0.941 0.030 . 1 . . . . 56 LEU HD2 . 10160 1 582 . 1 1 56 56 LEU C C 13 175.700 0.300 . 1 . . . . 56 LEU C . 10160 1 583 . 1 1 56 56 LEU HB2 H 1 1.437 0.030 . 2 . . . . 56 LEU HB2 . 10160 1 584 . 1 1 57 57 ALA N N 15 125.664 0.300 . 1 . . . . 57 ALA N . 10160 1 585 . 1 1 57 57 ALA H H 1 8.840 0.030 . 1 . . . . 57 ALA H . 10160 1 586 . 1 1 57 57 ALA CA C 13 51.851 0.300 . 1 . . . . 57 ALA CA . 10160 1 587 . 1 1 57 57 ALA HA H 1 4.600 0.030 . 1 . . . . 57 ALA HA . 10160 1 588 . 1 1 57 57 ALA CB C 13 22.862 0.300 . 1 . . . . 57 ALA CB . 10160 1 589 . 1 1 57 57 ALA HB1 H 1 1.444 0.030 . 1 . . . . 57 ALA HB . 10160 1 590 . 1 1 57 57 ALA HB2 H 1 1.444 0.030 . 1 . . . . 57 ALA HB . 10160 1 591 . 1 1 57 57 ALA HB3 H 1 1.444 0.030 . 1 . . . . 57 ALA HB . 10160 1 592 . 1 1 57 57 ALA C C 13 174.504 0.300 . 1 . . . . 57 ALA C . 10160 1 593 . 1 1 58 58 ILE N N 15 119.429 0.300 . 1 . . . . 58 ILE N . 10160 1 594 . 1 1 58 58 ILE H H 1 8.617 0.030 . 1 . . . . 58 ILE H . 10160 1 595 . 1 1 58 58 ILE CA C 13 60.143 0.300 . 1 . . . . 58 ILE CA . 10160 1 596 . 1 1 58 58 ILE HA H 1 5.272 0.030 . 1 . . . . 58 ILE HA . 10160 1 597 . 1 1 58 58 ILE CB C 13 41.068 0.300 . 1 . . . . 58 ILE CB . 10160 1 598 . 1 1 58 58 ILE HB H 1 1.550 0.030 . 1 . . . . 58 ILE HB . 10160 1 599 . 1 1 58 58 ILE CG1 C 13 28.011 0.300 . 1 . . . . 58 ILE CG1 . 10160 1 600 . 1 1 58 58 ILE HG13 H 1 0.925 0.030 . 2 . . . . 58 ILE HG13 . 10160 1 601 . 1 1 58 58 ILE CG2 C 13 16.841 0.300 . 1 . . . . 58 ILE CG2 . 10160 1 602 . 1 1 58 58 ILE HG21 H 1 0.724 0.030 . 1 . . . . 58 ILE HG2 . 10160 1 603 . 1 1 58 58 ILE HG22 H 1 0.724 0.030 . 1 . . . . 58 ILE HG2 . 10160 1 604 . 1 1 58 58 ILE HG23 H 1 0.724 0.030 . 1 . . . . 58 ILE HG2 . 10160 1 605 . 1 1 58 58 ILE CD1 C 13 13.696 0.300 . 1 . . . . 58 ILE CD1 . 10160 1 606 . 1 1 58 58 ILE HD11 H 1 0.059 0.030 . 1 . . . . 58 ILE HD1 . 10160 1 607 . 1 1 58 58 ILE HD12 H 1 0.059 0.030 . 1 . . . . 58 ILE HD1 . 10160 1 608 . 1 1 58 58 ILE HD13 H 1 0.059 0.030 . 1 . . . . 58 ILE HD1 . 10160 1 609 . 1 1 58 58 ILE C C 13 175.328 0.300 . 1 . . . . 58 ILE C . 10160 1 610 . 1 1 58 58 ILE HG12 H 1 1.392 0.030 . 2 . . . . 58 ILE HG12 . 10160 1 611 . 1 1 59 59 GLU N N 15 128.665 0.300 . 1 . . . . 59 GLU N . 10160 1 612 . 1 1 59 59 GLU H H 1 9.315 0.030 . 1 . . . . 59 GLU H . 10160 1 613 . 1 1 59 59 GLU CA C 13 54.166 0.300 . 1 . . . . 59 GLU CA . 10160 1 614 . 1 1 59 59 GLU HA H 1 4.920 0.030 . 1 . . . . 59 GLU HA . 10160 1 615 . 1 1 59 59 GLU CB C 13 32.698 0.300 . 1 . . . . 59 GLU CB . 10160 1 616 . 1 1 59 59 GLU HB3 H 1 1.845 0.030 . 2 . . . . 59 GLU HB3 . 10160 1 617 . 1 1 59 59 GLU CG C 13 35.693 0.300 . 1 . . . . 59 GLU CG . 10160 1 618 . 1 1 59 59 GLU HG3 H 1 2.182 0.030 . 1 . . . . 59 GLU HG3 . 10160 1 619 . 1 1 59 59 GLU C C 13 175.108 0.300 . 1 . . . . 59 GLU C . 10160 1 620 . 1 1 59 59 GLU HB2 H 1 2.024 0.030 . 2 . . . . 59 GLU HB2 . 10160 1 621 . 1 1 59 59 GLU HG2 H 1 2.182 0.030 . 1 . . . . 59 GLU HG2 . 10160 1 622 . 1 1 60 60 GLY N N 15 110.929 0.300 . 1 . . . . 60 GLY N . 10160 1 623 . 1 1 60 60 GLY H H 1 8.427 0.030 . 1 . . . . 60 GLY H . 10160 1 624 . 1 1 60 60 GLY CA C 13 45.608 0.300 . 1 . . . . 60 GLY CA . 10160 1 625 . 1 1 60 60 GLY HA3 H 1 3.927 0.030 . 2 . . . . 60 GLY HA3 . 10160 1 626 . 1 1 60 60 GLY C C 13 171.379 0.300 . 1 . . . . 60 GLY C . 10160 1 627 . 1 1 60 60 GLY HA2 H 1 3.531 0.030 . 2 . . . . 60 GLY HA2 . 10160 1 628 . 1 1 61 61 PRO CA C 13 64.103 0.300 . 1 . . . . 61 PRO CA . 10160 1 629 . 1 1 61 61 PRO HA H 1 4.270 0.030 . 1 . . . . 61 PRO HA . 10160 1 630 . 1 1 61 61 PRO CB C 13 32.206 0.300 . 1 . . . . 61 PRO CB . 10160 1 631 . 1 1 61 61 PRO HB3 H 1 1.825 0.030 . 2 . . . . 61 PRO HB3 . 10160 1 632 . 1 1 61 61 PRO CG C 13 26.870 0.300 . 1 . . . . 61 PRO CG . 10160 1 633 . 1 1 61 61 PRO HG3 H 1 1.853 0.030 . 2 . . . . 61 PRO HG3 . 10160 1 634 . 1 1 61 61 PRO CD C 13 49.086 0.300 . 1 . . . . 61 PRO CD . 10160 1 635 . 1 1 61 61 PRO HD3 H 1 1.871 0.030 . 2 . . . . 61 PRO HD3 . 10160 1 636 . 1 1 61 61 PRO C C 13 176.075 0.300 . 1 . . . . 61 PRO C . 10160 1 637 . 1 1 61 61 PRO HB2 H 1 2.281 0.030 . 2 . . . . 61 PRO HB2 . 10160 1 638 . 1 1 61 61 PRO HD2 H 1 2.981 0.030 . 2 . . . . 61 PRO HD2 . 10160 1 639 . 1 1 61 61 PRO HG2 H 1 1.700 0.030 . 2 . . . . 61 PRO HG2 . 10160 1 640 . 1 1 62 62 SER N N 15 108.474 0.300 . 1 . . . . 62 SER N . 10160 1 641 . 1 1 62 62 SER H H 1 7.099 0.030 . 1 . . . . 62 SER H . 10160 1 642 . 1 1 62 62 SER CA C 13 56.398 0.300 . 1 . . . . 62 SER CA . 10160 1 643 . 1 1 62 62 SER HA H 1 4.655 0.030 . 1 . . . . 62 SER HA . 10160 1 644 . 1 1 62 62 SER CB C 13 67.457 0.300 . 1 . . . . 62 SER CB . 10160 1 645 . 1 1 62 62 SER HB3 H 1 3.715 0.030 . 2 . . . . 62 SER HB3 . 10160 1 646 . 1 1 62 62 SER C C 13 172.805 0.300 . 1 . . . . 62 SER C . 10160 1 647 . 1 1 62 62 SER HB2 H 1 3.977 0.030 . 2 . . . . 62 SER HB2 . 10160 1 648 . 1 1 63 63 LYS N N 15 122.679 0.300 . 1 . . . . 63 LYS N . 10160 1 649 . 1 1 63 63 LYS H H 1 8.653 0.030 . 1 . . . . 63 LYS H . 10160 1 650 . 1 1 63 63 LYS CA C 13 55.822 0.300 . 1 . . . . 63 LYS CA . 10160 1 651 . 1 1 63 63 LYS HA H 1 4.449 0.030 . 1 . . . . 63 LYS HA . 10160 1 652 . 1 1 63 63 LYS CB C 13 31.384 0.300 . 1 . . . . 63 LYS CB . 10160 1 653 . 1 1 63 63 LYS HB3 H 1 1.892 0.030 . 2 . . . . 63 LYS HB3 . 10160 1 654 . 1 1 63 63 LYS CG C 13 24.758 0.300 . 1 . . . . 63 LYS CG . 10160 1 655 . 1 1 63 63 LYS HG3 H 1 1.500 0.030 . 2 . . . . 63 LYS HG3 . 10160 1 656 . 1 1 63 63 LYS CD C 13 29.192 0.300 . 1 . . . . 63 LYS CD . 10160 1 657 . 1 1 63 63 LYS HD3 H 1 1.755 0.030 . 1 . . . . 63 LYS HD3 . 10160 1 658 . 1 1 63 63 LYS CE C 13 42.280 0.300 . 1 . . . . 63 LYS CE . 10160 1 659 . 1 1 63 63 LYS HE3 H 1 3.047 0.030 . 1 . . . . 63 LYS HE3 . 10160 1 660 . 1 1 63 63 LYS C C 13 175.601 0.300 . 1 . . . . 63 LYS C . 10160 1 661 . 1 1 63 63 LYS HB2 H 1 1.792 0.030 . 2 . . . . 63 LYS HB2 . 10160 1 662 . 1 1 63 63 LYS HD2 H 1 1.755 0.030 . 1 . . . . 63 LYS HD2 . 10160 1 663 . 1 1 63 63 LYS HE2 H 1 3.047 0.030 . 1 . . . . 63 LYS HE2 . 10160 1 664 . 1 1 63 63 LYS HG2 H 1 1.397 0.030 . 2 . . . . 63 LYS HG2 . 10160 1 665 . 1 1 64 64 ALA N N 15 130.710 0.300 . 1 . . . . 64 ALA N . 10160 1 666 . 1 1 64 64 ALA H H 1 8.690 0.030 . 1 . . . . 64 ALA H . 10160 1 667 . 1 1 64 64 ALA CA C 13 51.425 0.300 . 1 . . . . 64 ALA CA . 10160 1 668 . 1 1 64 64 ALA HA H 1 4.578 0.030 . 1 . . . . 64 ALA HA . 10160 1 669 . 1 1 64 64 ALA CB C 13 19.803 0.300 . 1 . . . . 64 ALA CB . 10160 1 670 . 1 1 64 64 ALA HB1 H 1 1.196 0.030 . 1 . . . . 64 ALA HB . 10160 1 671 . 1 1 64 64 ALA HB2 H 1 1.196 0.030 . 1 . . . . 64 ALA HB . 10160 1 672 . 1 1 64 64 ALA HB3 H 1 1.196 0.030 . 1 . . . . 64 ALA HB . 10160 1 673 . 1 1 64 64 ALA C C 13 176.395 0.300 . 1 . . . . 64 ALA C . 10160 1 674 . 1 1 65 65 GLU N N 15 123.534 0.300 . 1 . . . . 65 GLU N . 10160 1 675 . 1 1 65 65 GLU H H 1 8.397 0.030 . 1 . . . . 65 GLU H . 10160 1 676 . 1 1 65 65 GLU CA C 13 56.854 0.300 . 1 . . . . 65 GLU CA . 10160 1 677 . 1 1 65 65 GLU HA H 1 4.278 0.030 . 1 . . . . 65 GLU HA . 10160 1 678 . 1 1 65 65 GLU CB C 13 30.346 0.300 . 1 . . . . 65 GLU CB . 10160 1 679 . 1 1 65 65 GLU HB3 H 1 2.011 0.030 . 2 . . . . 65 GLU HB3 . 10160 1 680 . 1 1 65 65 GLU CG C 13 36.221 0.300 . 1 . . . . 65 GLU CG . 10160 1 681 . 1 1 65 65 GLU HG3 H 1 2.363 0.030 . 2 . . . . 65 GLU HG3 . 10160 1 682 . 1 1 65 65 GLU C C 13 176.381 0.300 . 1 . . . . 65 GLU C . 10160 1 683 . 1 1 65 65 GLU HB2 H 1 1.964 0.030 . 2 . . . . 65 GLU HB2 . 10160 1 684 . 1 1 65 65 GLU HG2 H 1 2.256 0.030 . 2 . . . . 65 GLU HG2 . 10160 1 685 . 1 1 66 66 ILE N N 15 124.380 0.300 . 1 . . . . 66 ILE N . 10160 1 686 . 1 1 66 66 ILE H H 1 8.541 0.030 . 1 . . . . 66 ILE H . 10160 1 687 . 1 1 66 66 ILE CA C 13 60.568 0.300 . 1 . . . . 66 ILE CA . 10160 1 688 . 1 1 66 66 ILE HA H 1 4.865 0.030 . 1 . . . . 66 ILE HA . 10160 1 689 . 1 1 66 66 ILE CB C 13 41.804 0.300 . 1 . . . . 66 ILE CB . 10160 1 690 . 1 1 66 66 ILE HB H 1 1.594 0.030 . 1 . . . . 66 ILE HB . 10160 1 691 . 1 1 66 66 ILE CG1 C 13 28.341 0.300 . 1 . . . . 66 ILE CG1 . 10160 1 692 . 1 1 66 66 ILE HG13 H 1 1.761 0.030 . 2 . . . . 66 ILE HG13 . 10160 1 693 . 1 1 66 66 ILE CG2 C 13 17.240 0.300 . 1 . . . . 66 ILE CG2 . 10160 1 694 . 1 1 66 66 ILE HG21 H 1 0.787 0.030 . 1 . . . . 66 ILE HG2 . 10160 1 695 . 1 1 66 66 ILE HG22 H 1 0.787 0.030 . 1 . . . . 66 ILE HG2 . 10160 1 696 . 1 1 66 66 ILE HG23 H 1 0.787 0.030 . 1 . . . . 66 ILE HG2 . 10160 1 697 . 1 1 66 66 ILE CD1 C 13 14.500 0.300 . 1 . . . . 66 ILE CD1 . 10160 1 698 . 1 1 66 66 ILE HD11 H 1 0.770 0.030 . 1 . . . . 66 ILE HD1 . 10160 1 699 . 1 1 66 66 ILE HD12 H 1 0.770 0.030 . 1 . . . . 66 ILE HD1 . 10160 1 700 . 1 1 66 66 ILE HD13 H 1 0.770 0.030 . 1 . . . . 66 ILE HD1 . 10160 1 701 . 1 1 66 66 ILE C C 13 175.421 0.300 . 1 . . . . 66 ILE C . 10160 1 702 . 1 1 66 66 ILE HG12 H 1 0.753 0.030 . 2 . . . . 66 ILE HG12 . 10160 1 703 . 1 1 67 67 SER N N 15 122.057 0.300 . 1 . . . . 67 SER N . 10160 1 704 . 1 1 67 67 SER H H 1 9.035 0.030 . 1 . . . . 67 SER H . 10160 1 705 . 1 1 67 67 SER CA C 13 56.908 0.300 . 1 . . . . 67 SER CA . 10160 1 706 . 1 1 67 67 SER HA H 1 4.729 0.030 . 1 . . . . 67 SER HA . 10160 1 707 . 1 1 67 67 SER CB C 13 64.980 0.300 . 1 . . . . 67 SER CB . 10160 1 708 . 1 1 67 67 SER HB3 H 1 3.714 0.030 . 1 . . . . 67 SER HB3 . 10160 1 709 . 1 1 67 67 SER C C 13 172.294 0.300 . 1 . . . . 67 SER C . 10160 1 710 . 1 1 67 67 SER HB2 H 1 3.714 0.030 . 1 . . . . 67 SER HB2 . 10160 1 711 . 1 1 68 68 CYS N N 15 124.699 0.300 . 1 . . . . 68 CYS N . 10160 1 712 . 1 1 68 68 CYS H H 1 8.732 0.030 . 1 . . . . 68 CYS H . 10160 1 713 . 1 1 68 68 CYS CA C 13 57.310 0.300 . 1 . . . . 68 CYS CA . 10160 1 714 . 1 1 68 68 CYS HA H 1 5.038 0.030 . 1 . . . . 68 CYS HA . 10160 1 715 . 1 1 68 68 CYS CB C 13 28.380 0.300 . 1 . . . . 68 CYS CB . 10160 1 716 . 1 1 68 68 CYS HB3 H 1 2.337 0.030 . 2 . . . . 68 CYS HB3 . 10160 1 717 . 1 1 68 68 CYS C C 13 173.135 0.300 . 1 . . . . 68 CYS C . 10160 1 718 . 1 1 68 68 CYS HB2 H 1 2.820 0.030 . 2 . . . . 68 CYS HB2 . 10160 1 719 . 1 1 69 69 ILE N N 15 128.680 0.300 . 1 . . . . 69 ILE N . 10160 1 720 . 1 1 69 69 ILE H H 1 8.757 0.030 . 1 . . . . 69 ILE H . 10160 1 721 . 1 1 69 69 ILE CA C 13 59.153 0.300 . 1 . . . . 69 ILE CA . 10160 1 722 . 1 1 69 69 ILE HA H 1 4.350 0.030 . 1 . . . . 69 ILE HA . 10160 1 723 . 1 1 69 69 ILE CB C 13 40.750 0.300 . 1 . . . . 69 ILE CB . 10160 1 724 . 1 1 69 69 ILE HB H 1 1.762 0.030 . 1 . . . . 69 ILE HB . 10160 1 725 . 1 1 69 69 ILE CG1 C 13 27.325 0.300 . 1 . . . . 69 ILE CG1 . 10160 1 726 . 1 1 69 69 ILE HG13 H 1 1.405 0.030 . 2 . . . . 69 ILE HG13 . 10160 1 727 . 1 1 69 69 ILE CG2 C 13 16.926 0.300 . 1 . . . . 69 ILE CG2 . 10160 1 728 . 1 1 69 69 ILE HG21 H 1 0.802 0.030 . 1 . . . . 69 ILE HG2 . 10160 1 729 . 1 1 69 69 ILE HG22 H 1 0.802 0.030 . 1 . . . . 69 ILE HG2 . 10160 1 730 . 1 1 69 69 ILE HG23 H 1 0.802 0.030 . 1 . . . . 69 ILE HG2 . 10160 1 731 . 1 1 69 69 ILE CD1 C 13 12.329 0.300 . 1 . . . . 69 ILE CD1 . 10160 1 732 . 1 1 69 69 ILE HD11 H 1 0.793 0.030 . 1 . . . . 69 ILE HD1 . 10160 1 733 . 1 1 69 69 ILE HD12 H 1 0.793 0.030 . 1 . . . . 69 ILE HD1 . 10160 1 734 . 1 1 69 69 ILE HD13 H 1 0.793 0.030 . 1 . . . . 69 ILE HD1 . 10160 1 735 . 1 1 69 69 ILE C C 13 174.363 0.300 . 1 . . . . 69 ILE C . 10160 1 736 . 1 1 69 69 ILE HG12 H 1 1.134 0.030 . 2 . . . . 69 ILE HG12 . 10160 1 737 . 1 1 70 70 ASP N N 15 126.290 0.300 . 1 . . . . 70 ASP N . 10160 1 738 . 1 1 70 70 ASP H H 1 8.596 0.030 . 1 . . . . 70 ASP H . 10160 1 739 . 1 1 70 70 ASP CA C 13 53.671 0.300 . 1 . . . . 70 ASP CA . 10160 1 740 . 1 1 70 70 ASP HA H 1 4.892 0.030 . 1 . . . . 70 ASP HA . 10160 1 741 . 1 1 70 70 ASP CB C 13 41.069 0.300 . 1 . . . . 70 ASP CB . 10160 1 742 . 1 1 70 70 ASP HB3 H 1 2.623 0.030 . 2 . . . . 70 ASP HB3 . 10160 1 743 . 1 1 70 70 ASP C C 13 176.812 0.300 . 1 . . . . 70 ASP C . 10160 1 744 . 1 1 70 70 ASP HB2 H 1 2.868 0.030 . 2 . . . . 70 ASP HB2 . 10160 1 745 . 1 1 71 71 ASN N N 15 125.163 0.300 . 1 . . . . 71 ASN N . 10160 1 746 . 1 1 71 71 ASN H H 1 8.745 0.030 . 1 . . . . 71 ASN H . 10160 1 747 . 1 1 71 71 ASN CA C 13 54.626 0.300 . 1 . . . . 71 ASN CA . 10160 1 748 . 1 1 71 71 ASN HA H 1 4.647 0.030 . 1 . . . . 71 ASN HA . 10160 1 749 . 1 1 71 71 ASN CB C 13 38.688 0.300 . 1 . . . . 71 ASN CB . 10160 1 750 . 1 1 71 71 ASN HB3 H 1 2.698 0.030 . 2 . . . . 71 ASN HB3 . 10160 1 751 . 1 1 71 71 ASN ND2 N 15 114.966 0.300 . 1 . . . . 71 ASN ND2 . 10160 1 752 . 1 1 71 71 ASN HD21 H 1 7.321 0.030 . 2 . . . . 71 ASN HD21 . 10160 1 753 . 1 1 71 71 ASN HD22 H 1 7.520 0.030 . 2 . . . . 71 ASN HD22 . 10160 1 754 . 1 1 71 71 ASN C C 13 175.657 0.300 . 1 . . . . 71 ASN C . 10160 1 755 . 1 1 71 71 ASN HB2 H 1 3.009 0.030 . 2 . . . . 71 ASN HB2 . 10160 1 756 . 1 1 72 72 LYS N N 15 114.425 0.300 . 1 . . . . 72 LYS N . 10160 1 757 . 1 1 72 72 LYS H H 1 9.407 0.030 . 1 . . . . 72 LYS H . 10160 1 758 . 1 1 72 72 LYS CA C 13 57.535 0.300 . 1 . . . . 72 LYS CA . 10160 1 759 . 1 1 72 72 LYS HA H 1 4.028 0.030 . 1 . . . . 72 LYS HA . 10160 1 760 . 1 1 72 72 LYS CB C 13 28.393 0.300 . 1 . . . . 72 LYS CB . 10160 1 761 . 1 1 72 72 LYS HB3 H 1 2.008 0.030 . 2 . . . . 72 LYS HB3 . 10160 1 762 . 1 1 72 72 LYS CG C 13 24.678 0.300 . 1 . . . . 72 LYS CG . 10160 1 763 . 1 1 72 72 LYS HG3 H 1 1.264 0.030 . 2 . . . . 72 LYS HG3 . 10160 1 764 . 1 1 72 72 LYS CD C 13 28.480 0.300 . 1 . . . . 72 LYS CD . 10160 1 765 . 1 1 72 72 LYS HD3 H 1 1.691 0.030 . 2 . . . . 72 LYS HD3 . 10160 1 766 . 1 1 72 72 LYS CE C 13 42.345 0.300 . 1 . . . . 72 LYS CE . 10160 1 767 . 1 1 72 72 LYS HE3 H 1 2.992 0.030 . 2 . . . . 72 LYS HE3 . 10160 1 768 . 1 1 72 72 LYS C C 13 175.123 0.300 . 1 . . . . 72 LYS C . 10160 1 769 . 1 1 72 72 LYS HB2 H 1 2.170 0.030 . 2 . . . . 72 LYS HB2 . 10160 1 770 . 1 1 72 72 LYS HD2 H 1 1.603 0.030 . 2 . . . . 72 LYS HD2 . 10160 1 771 . 1 1 72 72 LYS HE2 H 1 2.948 0.030 . 2 . . . . 72 LYS HE2 . 10160 1 772 . 1 1 72 72 LYS HG2 H 1 1.368 0.030 . 2 . . . . 72 LYS HG2 . 10160 1 773 . 1 1 73 73 ASP N N 15 117.581 0.300 . 1 . . . . 73 ASP N . 10160 1 774 . 1 1 73 73 ASP H H 1 7.881 0.030 . 1 . . . . 73 ASP H . 10160 1 775 . 1 1 73 73 ASP CA C 13 52.274 0.300 . 1 . . . . 73 ASP CA . 10160 1 776 . 1 1 73 73 ASP HA H 1 4.769 0.030 . 1 . . . . 73 ASP HA . 10160 1 777 . 1 1 73 73 ASP CB C 13 41.210 0.300 . 1 . . . . 73 ASP CB . 10160 1 778 . 1 1 73 73 ASP HB3 H 1 2.403 0.030 . 2 . . . . 73 ASP HB3 . 10160 1 779 . 1 1 73 73 ASP C C 13 177.197 0.300 . 1 . . . . 73 ASP C . 10160 1 780 . 1 1 73 73 ASP HB2 H 1 3.077 0.030 . 2 . . . . 73 ASP HB2 . 10160 1 781 . 1 1 74 74 GLY N N 15 109.385 0.300 . 1 . . . . 74 GLY N . 10160 1 782 . 1 1 74 74 GLY H H 1 8.781 0.030 . 1 . . . . 74 GLY H . 10160 1 783 . 1 1 74 74 GLY CA C 13 45.179 0.300 . 1 . . . . 74 GLY CA . 10160 1 784 . 1 1 74 74 GLY HA3 H 1 3.673 0.030 . 2 . . . . 74 GLY HA3 . 10160 1 785 . 1 1 74 74 GLY C C 13 173.671 0.300 . 1 . . . . 74 GLY C . 10160 1 786 . 1 1 74 74 GLY HA2 H 1 4.469 0.030 . 2 . . . . 74 GLY HA2 . 10160 1 787 . 1 1 75 75 THR N N 15 110.220 0.300 . 1 . . . . 75 THR N . 10160 1 788 . 1 1 75 75 THR H H 1 8.179 0.030 . 1 . . . . 75 THR H . 10160 1 789 . 1 1 75 75 THR CA C 13 59.843 0.300 . 1 . . . . 75 THR CA . 10160 1 790 . 1 1 75 75 THR HA H 1 5.678 0.030 . 1 . . . . 75 THR HA . 10160 1 791 . 1 1 75 75 THR CB C 13 73.810 0.300 . 1 . . . . 75 THR CB . 10160 1 792 . 1 1 75 75 THR HB H 1 4.072 0.030 . 1 . . . . 75 THR HB . 10160 1 793 . 1 1 75 75 THR CG2 C 13 21.995 0.300 . 1 . . . . 75 THR CG2 . 10160 1 794 . 1 1 75 75 THR HG21 H 1 1.168 0.030 . 1 . . . . 75 THR HG2 . 10160 1 795 . 1 1 75 75 THR HG22 H 1 1.168 0.030 . 1 . . . . 75 THR HG2 . 10160 1 796 . 1 1 75 75 THR HG23 H 1 1.168 0.030 . 1 . . . . 75 THR HG2 . 10160 1 797 . 1 1 75 75 THR C C 13 173.912 0.300 . 1 . . . . 75 THR C . 10160 1 798 . 1 1 76 76 CYS N N 15 117.252 0.300 . 1 . . . . 76 CYS N . 10160 1 799 . 1 1 76 76 CYS H H 1 9.295 0.030 . 1 . . . . 76 CYS H . 10160 1 800 . 1 1 76 76 CYS CA C 13 56.716 0.300 . 1 . . . . 76 CYS CA . 10160 1 801 . 1 1 76 76 CYS HA H 1 5.517 0.030 . 1 . . . . 76 CYS HA . 10160 1 802 . 1 1 76 76 CYS CB C 13 31.176 0.300 . 1 . . . . 76 CYS CB . 10160 1 803 . 1 1 76 76 CYS HB3 H 1 2.692 0.030 . 2 . . . . 76 CYS HB3 . 10160 1 804 . 1 1 76 76 CYS C C 13 174.083 0.300 . 1 . . . . 76 CYS C . 10160 1 805 . 1 1 76 76 CYS HB2 H 1 2.592 0.030 . 2 . . . . 76 CYS HB2 . 10160 1 806 . 1 1 77 77 THR N N 15 121.477 0.300 . 1 . . . . 77 THR N . 10160 1 807 . 1 1 77 77 THR H H 1 9.137 0.030 . 1 . . . . 77 THR H . 10160 1 808 . 1 1 77 77 THR CA C 13 62.565 0.300 . 1 . . . . 77 THR CA . 10160 1 809 . 1 1 77 77 THR HA H 1 4.592 0.030 . 1 . . . . 77 THR HA . 10160 1 810 . 1 1 77 77 THR CB C 13 70.447 0.300 . 1 . . . . 77 THR CB . 10160 1 811 . 1 1 77 77 THR HB H 1 3.889 0.030 . 1 . . . . 77 THR HB . 10160 1 812 . 1 1 77 77 THR CG2 C 13 22.459 0.300 . 1 . . . . 77 THR CG2 . 10160 1 813 . 1 1 77 77 THR HG21 H 1 1.069 0.030 . 1 . . . . 77 THR HG2 . 10160 1 814 . 1 1 77 77 THR HG22 H 1 1.069 0.030 . 1 . . . . 77 THR HG2 . 10160 1 815 . 1 1 77 77 THR HG23 H 1 1.069 0.030 . 1 . . . . 77 THR HG2 . 10160 1 816 . 1 1 77 77 THR C C 13 173.469 0.300 . 1 . . . . 77 THR C . 10160 1 817 . 1 1 78 78 VAL N N 15 131.586 0.300 . 1 . . . . 78 VAL N . 10160 1 818 . 1 1 78 78 VAL H H 1 9.099 0.030 . 1 . . . . 78 VAL H . 10160 1 819 . 1 1 78 78 VAL CA C 13 60.604 0.300 . 1 . . . . 78 VAL CA . 10160 1 820 . 1 1 78 78 VAL HA H 1 4.672 0.030 . 1 . . . . 78 VAL HA . 10160 1 821 . 1 1 78 78 VAL CB C 13 32.061 0.300 . 1 . . . . 78 VAL CB . 10160 1 822 . 1 1 78 78 VAL HB H 1 0.071 0.030 . 1 . . . . 78 VAL HB . 10160 1 823 . 1 1 78 78 VAL CG1 C 13 22.876 0.300 . 2 . . . . 78 VAL CG1 . 10160 1 824 . 1 1 78 78 VAL HG11 H 1 0.487 0.030 . 1 . . . . 78 VAL HG1 . 10160 1 825 . 1 1 78 78 VAL HG12 H 1 0.487 0.030 . 1 . . . . 78 VAL HG1 . 10160 1 826 . 1 1 78 78 VAL HG13 H 1 0.487 0.030 . 1 . . . . 78 VAL HG1 . 10160 1 827 . 1 1 78 78 VAL CG2 C 13 22.232 0.300 . 2 . . . . 78 VAL CG2 . 10160 1 828 . 1 1 78 78 VAL HG21 H 1 0.451 0.030 . 1 . . . . 78 VAL HG2 . 10160 1 829 . 1 1 78 78 VAL HG22 H 1 0.451 0.030 . 1 . . . . 78 VAL HG2 . 10160 1 830 . 1 1 78 78 VAL HG23 H 1 0.451 0.030 . 1 . . . . 78 VAL HG2 . 10160 1 831 . 1 1 78 78 VAL C C 13 174.618 0.300 . 1 . . . . 78 VAL C . 10160 1 832 . 1 1 79 79 THR N N 15 120.071 0.300 . 1 . . . . 79 THR N . 10160 1 833 . 1 1 79 79 THR H H 1 8.782 0.030 . 1 . . . . 79 THR H . 10160 1 834 . 1 1 79 79 THR CA C 13 59.685 0.300 . 1 . . . . 79 THR CA . 10160 1 835 . 1 1 79 79 THR HA H 1 5.424 0.030 . 1 . . . . 79 THR HA . 10160 1 836 . 1 1 79 79 THR CB C 13 71.374 0.300 . 1 . . . . 79 THR CB . 10160 1 837 . 1 1 79 79 THR HB H 1 3.832 0.030 . 1 . . . . 79 THR HB . 10160 1 838 . 1 1 79 79 THR CG2 C 13 21.526 0.300 . 1 . . . . 79 THR CG2 . 10160 1 839 . 1 1 79 79 THR HG21 H 1 1.031 0.030 . 1 . . . . 79 THR HG2 . 10160 1 840 . 1 1 79 79 THR HG22 H 1 1.031 0.030 . 1 . . . . 79 THR HG2 . 10160 1 841 . 1 1 79 79 THR HG23 H 1 1.031 0.030 . 1 . . . . 79 THR HG2 . 10160 1 842 . 1 1 79 79 THR C C 13 173.250 0.300 . 1 . . . . 79 THR C . 10160 1 843 . 1 1 80 80 TYR N N 15 120.212 0.300 . 1 . . . . 80 TYR N . 10160 1 844 . 1 1 80 80 TYR H H 1 9.132 0.030 . 1 . . . . 80 TYR H . 10160 1 845 . 1 1 80 80 TYR CA C 13 55.554 0.300 . 1 . . . . 80 TYR CA . 10160 1 846 . 1 1 80 80 TYR HA H 1 5.686 0.030 . 1 . . . . 80 TYR HA . 10160 1 847 . 1 1 80 80 TYR CB C 13 42.143 0.300 . 1 . . . . 80 TYR CB . 10160 1 848 . 1 1 80 80 TYR HB3 H 1 2.652 0.030 . 2 . . . . 80 TYR HB3 . 10160 1 849 . 1 1 80 80 TYR CD1 C 13 132.633 0.300 . 1 . . . . 80 TYR CD1 . 10160 1 850 . 1 1 80 80 TYR HD1 H 1 6.387 0.030 . 1 . . . . 80 TYR HD1 . 10160 1 851 . 1 1 80 80 TYR CD2 C 13 132.633 0.300 . 1 . . . . 80 TYR CD2 . 10160 1 852 . 1 1 80 80 TYR HD2 H 1 6.387 0.030 . 1 . . . . 80 TYR HD2 . 10160 1 853 . 1 1 80 80 TYR CE1 C 13 116.494 0.300 . 1 . . . . 80 TYR CE1 . 10160 1 854 . 1 1 80 80 TYR HE1 H 1 6.016 0.030 . 1 . . . . 80 TYR HE1 . 10160 1 855 . 1 1 80 80 TYR CE2 C 13 116.494 0.300 . 1 . . . . 80 TYR CE2 . 10160 1 856 . 1 1 80 80 TYR HE2 H 1 6.016 0.030 . 1 . . . . 80 TYR HE2 . 10160 1 857 . 1 1 80 80 TYR C C 13 172.856 0.300 . 1 . . . . 80 TYR C . 10160 1 858 . 1 1 80 80 TYR HB2 H 1 2.576 0.030 . 2 . . . . 80 TYR HB2 . 10160 1 859 . 1 1 81 81 LEU N N 15 121.355 0.300 . 1 . . . . 81 LEU N . 10160 1 860 . 1 1 81 81 LEU H H 1 7.729 0.030 . 1 . . . . 81 LEU H . 10160 1 861 . 1 1 81 81 LEU CA C 13 50.912 0.300 . 1 . . . . 81 LEU CA . 10160 1 862 . 1 1 81 81 LEU HA H 1 4.991 0.030 . 1 . . . . 81 LEU HA . 10160 1 863 . 1 1 81 81 LEU CB C 13 43.636 0.300 . 1 . . . . 81 LEU CB . 10160 1 864 . 1 1 81 81 LEU HB3 H 1 1.170 0.030 . 2 . . . . 81 LEU HB3 . 10160 1 865 . 1 1 81 81 LEU CG C 13 27.922 0.300 . 1 . . . . 81 LEU CG . 10160 1 866 . 1 1 81 81 LEU HG H 1 1.236 0.030 . 1 . . . . 81 LEU HG . 10160 1 867 . 1 1 81 81 LEU CD1 C 13 23.049 0.300 . 2 . . . . 81 LEU CD1 . 10160 1 868 . 1 1 81 81 LEU HD11 H 1 0.521 0.030 . 1 . . . . 81 LEU HD1 . 10160 1 869 . 1 1 81 81 LEU HD12 H 1 0.521 0.030 . 1 . . . . 81 LEU HD1 . 10160 1 870 . 1 1 81 81 LEU HD13 H 1 0.521 0.030 . 1 . . . . 81 LEU HD1 . 10160 1 871 . 1 1 81 81 LEU CD2 C 13 25.110 0.300 . 2 . . . . 81 LEU CD2 . 10160 1 872 . 1 1 81 81 LEU HD21 H 1 0.678 0.030 . 1 . . . . 81 LEU HD2 . 10160 1 873 . 1 1 81 81 LEU HD22 H 1 0.678 0.030 . 1 . . . . 81 LEU HD2 . 10160 1 874 . 1 1 81 81 LEU HD23 H 1 0.678 0.030 . 1 . . . . 81 LEU HD2 . 10160 1 875 . 1 1 81 81 LEU C C 13 172.982 0.300 . 1 . . . . 81 LEU C . 10160 1 876 . 1 1 81 81 LEU HB2 H 1 1.895 0.030 . 2 . . . . 81 LEU HB2 . 10160 1 877 . 1 1 82 82 PRO CA C 13 61.629 0.300 . 1 . . . . 82 PRO CA . 10160 1 878 . 1 1 82 82 PRO HA H 1 4.587 0.030 . 1 . . . . 82 PRO HA . 10160 1 879 . 1 1 82 82 PRO CB C 13 32.091 0.300 . 1 . . . . 82 PRO CB . 10160 1 880 . 1 1 82 82 PRO HB3 H 1 1.179 0.030 . 2 . . . . 82 PRO HB3 . 10160 1 881 . 1 1 82 82 PRO CG C 13 26.444 0.300 . 1 . . . . 82 PRO CG . 10160 1 882 . 1 1 82 82 PRO HG3 H 1 2.141 0.030 . 2 . . . . 82 PRO HG3 . 10160 1 883 . 1 1 82 82 PRO CD C 13 49.799 0.300 . 1 . . . . 82 PRO CD . 10160 1 884 . 1 1 82 82 PRO HD3 H 1 4.247 0.030 . 2 . . . . 82 PRO HD3 . 10160 1 885 . 1 1 82 82 PRO C C 13 177.683 0.300 . 1 . . . . 82 PRO C . 10160 1 886 . 1 1 82 82 PRO HB2 H 1 1.647 0.030 . 2 . . . . 82 PRO HB2 . 10160 1 887 . 1 1 82 82 PRO HD2 H 1 3.323 0.030 . 2 . . . . 82 PRO HD2 . 10160 1 888 . 1 1 82 82 PRO HG2 H 1 1.561 0.030 . 2 . . . . 82 PRO HG2 . 10160 1 889 . 1 1 83 83 THR N N 15 112.637 0.300 . 1 . . . . 83 THR N . 10160 1 890 . 1 1 83 83 THR H H 1 8.438 0.030 . 1 . . . . 83 THR H . 10160 1 891 . 1 1 83 83 THR CA C 13 62.207 0.300 . 1 . . . . 83 THR CA . 10160 1 892 . 1 1 83 83 THR HA H 1 4.305 0.030 . 1 . . . . 83 THR HA . 10160 1 893 . 1 1 83 83 THR CB C 13 69.155 0.300 . 1 . . . . 83 THR CB . 10160 1 894 . 1 1 83 83 THR HB H 1 4.497 0.030 . 1 . . . . 83 THR HB . 10160 1 895 . 1 1 83 83 THR CG2 C 13 21.728 0.300 . 1 . . . . 83 THR CG2 . 10160 1 896 . 1 1 83 83 THR HG21 H 1 1.214 0.030 . 1 . . . . 83 THR HG2 . 10160 1 897 . 1 1 83 83 THR HG22 H 1 1.214 0.030 . 1 . . . . 83 THR HG2 . 10160 1 898 . 1 1 83 83 THR HG23 H 1 1.214 0.030 . 1 . . . . 83 THR HG2 . 10160 1 899 . 1 1 83 83 THR C C 13 173.582 0.300 . 1 . . . . 83 THR C . 10160 1 900 . 1 1 84 84 LEU N N 15 118.186 0.300 . 1 . . . . 84 LEU N . 10160 1 901 . 1 1 84 84 LEU H H 1 6.839 0.030 . 1 . . . . 84 LEU H . 10160 1 902 . 1 1 84 84 LEU CA C 13 51.513 0.300 . 1 . . . . 84 LEU CA . 10160 1 903 . 1 1 84 84 LEU HA H 1 4.976 0.030 . 1 . . . . 84 LEU HA . 10160 1 904 . 1 1 84 84 LEU CB C 13 45.838 0.300 . 1 . . . . 84 LEU CB . 10160 1 905 . 1 1 84 84 LEU HB3 H 1 1.322 0.030 . 2 . . . . 84 LEU HB3 . 10160 1 906 . 1 1 84 84 LEU CG C 13 26.846 0.300 . 1 . . . . 84 LEU CG . 10160 1 907 . 1 1 84 84 LEU HG H 1 1.676 0.030 . 1 . . . . 84 LEU HG . 10160 1 908 . 1 1 84 84 LEU CD1 C 13 25.492 0.300 . 2 . . . . 84 LEU CD1 . 10160 1 909 . 1 1 84 84 LEU HD11 H 1 0.894 0.030 . 1 . . . . 84 LEU HD1 . 10160 1 910 . 1 1 84 84 LEU HD12 H 1 0.894 0.030 . 1 . . . . 84 LEU HD1 . 10160 1 911 . 1 1 84 84 LEU HD13 H 1 0.894 0.030 . 1 . . . . 84 LEU HD1 . 10160 1 912 . 1 1 84 84 LEU CD2 C 13 23.237 0.300 . 2 . . . . 84 LEU CD2 . 10160 1 913 . 1 1 84 84 LEU HD21 H 1 1.051 0.030 . 1 . . . . 84 LEU HD2 . 10160 1 914 . 1 1 84 84 LEU HD22 H 1 1.051 0.030 . 1 . . . . 84 LEU HD2 . 10160 1 915 . 1 1 84 84 LEU HD23 H 1 1.051 0.030 . 1 . . . . 84 LEU HD2 . 10160 1 916 . 1 1 84 84 LEU C C 13 175.119 0.300 . 1 . . . . 84 LEU C . 10160 1 917 . 1 1 84 84 LEU HB2 H 1 1.609 0.030 . 2 . . . . 84 LEU HB2 . 10160 1 918 . 1 1 85 85 PRO CA C 13 62.660 0.300 . 1 . . . . 85 PRO CA . 10160 1 919 . 1 1 85 85 PRO HA H 1 4.347 0.030 . 1 . . . . 85 PRO HA . 10160 1 920 . 1 1 85 85 PRO CB C 13 32.801 0.300 . 1 . . . . 85 PRO CB . 10160 1 921 . 1 1 85 85 PRO HB3 H 1 1.979 0.030 . 2 . . . . 85 PRO HB3 . 10160 1 922 . 1 1 85 85 PRO CG C 13 26.967 0.300 . 1 . . . . 85 PRO CG . 10160 1 923 . 1 1 85 85 PRO HG3 H 1 2.099 0.030 . 2 . . . . 85 PRO HG3 . 10160 1 924 . 1 1 85 85 PRO CD C 13 50.706 0.300 . 1 . . . . 85 PRO CD . 10160 1 925 . 1 1 85 85 PRO HD3 H 1 3.691 0.030 . 2 . . . . 85 PRO HD3 . 10160 1 926 . 1 1 85 85 PRO C C 13 174.117 0.300 . 1 . . . . 85 PRO C . 10160 1 927 . 1 1 85 85 PRO HB2 H 1 2.154 0.030 . 2 . . . . 85 PRO HB2 . 10160 1 928 . 1 1 85 85 PRO HD2 H 1 3.727 0.030 . 2 . . . . 85 PRO HD2 . 10160 1 929 . 1 1 85 85 PRO HG2 H 1 1.986 0.030 . 2 . . . . 85 PRO HG2 . 10160 1 930 . 1 1 86 86 GLY N N 15 106.704 0.300 . 1 . . . . 86 GLY N . 10160 1 931 . 1 1 86 86 GLY H H 1 9.065 0.030 . 1 . . . . 86 GLY H . 10160 1 932 . 1 1 86 86 GLY CA C 13 44.520 0.300 . 1 . . . . 86 GLY CA . 10160 1 933 . 1 1 86 86 GLY HA3 H 1 3.838 0.030 . 2 . . . . 86 GLY HA3 . 10160 1 934 . 1 1 86 86 GLY C C 13 171.468 0.300 . 1 . . . . 86 GLY C . 10160 1 935 . 1 1 86 86 GLY HA2 H 1 4.408 0.030 . 2 . . . . 86 GLY HA2 . 10160 1 936 . 1 1 87 87 ASP N N 15 120.573 0.300 . 1 . . . . 87 ASP N . 10160 1 937 . 1 1 87 87 ASP H H 1 8.275 0.030 . 1 . . . . 87 ASP H . 10160 1 938 . 1 1 87 87 ASP CA C 13 53.500 0.300 . 1 . . . . 87 ASP CA . 10160 1 939 . 1 1 87 87 ASP HA H 1 5.498 0.030 . 1 . . . . 87 ASP HA . 10160 1 940 . 1 1 87 87 ASP CB C 13 40.877 0.300 . 1 . . . . 87 ASP CB . 10160 1 941 . 1 1 87 87 ASP HB3 H 1 2.295 0.030 . 2 . . . . 87 ASP HB3 . 10160 1 942 . 1 1 87 87 ASP C C 13 176.069 0.300 . 1 . . . . 87 ASP C . 10160 1 943 . 1 1 87 87 ASP HB2 H 1 2.476 0.030 . 2 . . . . 87 ASP HB2 . 10160 1 944 . 1 1 88 88 TYR N N 15 124.115 0.300 . 1 . . . . 88 TYR N . 10160 1 945 . 1 1 88 88 TYR H H 1 9.510 0.030 . 1 . . . . 88 TYR H . 10160 1 946 . 1 1 88 88 TYR CA C 13 56.667 0.300 . 1 . . . . 88 TYR CA . 10160 1 947 . 1 1 88 88 TYR HA H 1 4.983 0.030 . 1 . . . . 88 TYR HA . 10160 1 948 . 1 1 88 88 TYR CB C 13 39.633 0.300 . 1 . . . . 88 TYR CB . 10160 1 949 . 1 1 88 88 TYR HB3 H 1 2.441 0.030 . 2 . . . . 88 TYR HB3 . 10160 1 950 . 1 1 88 88 TYR CD1 C 13 134.130 0.300 . 1 . . . . 88 TYR CD1 . 10160 1 951 . 1 1 88 88 TYR HD1 H 1 7.152 0.030 . 1 . . . . 88 TYR HD1 . 10160 1 952 . 1 1 88 88 TYR CD2 C 13 134.130 0.300 . 1 . . . . 88 TYR CD2 . 10160 1 953 . 1 1 88 88 TYR HD2 H 1 7.152 0.030 . 1 . . . . 88 TYR HD2 . 10160 1 954 . 1 1 88 88 TYR CE1 C 13 116.512 0.300 . 1 . . . . 88 TYR CE1 . 10160 1 955 . 1 1 88 88 TYR HE1 H 1 6.880 0.030 . 1 . . . . 88 TYR HE1 . 10160 1 956 . 1 1 88 88 TYR CE2 C 13 116.512 0.300 . 1 . . . . 88 TYR CE2 . 10160 1 957 . 1 1 88 88 TYR HE2 H 1 6.880 0.030 . 1 . . . . 88 TYR HE2 . 10160 1 958 . 1 1 88 88 TYR C C 13 174.533 0.300 . 1 . . . . 88 TYR C . 10160 1 959 . 1 1 88 88 TYR HB2 H 1 2.850 0.030 . 2 . . . . 88 TYR HB2 . 10160 1 960 . 1 1 89 89 SER N N 15 118.331 0.300 . 1 . . . . 89 SER N . 10160 1 961 . 1 1 89 89 SER H H 1 9.200 0.030 . 1 . . . . 89 SER H . 10160 1 962 . 1 1 89 89 SER CA C 13 56.737 0.300 . 1 . . . . 89 SER CA . 10160 1 963 . 1 1 89 89 SER HA H 1 5.346 0.030 . 1 . . . . 89 SER HA . 10160 1 964 . 1 1 89 89 SER CB C 13 64.421 0.300 . 1 . . . . 89 SER CB . 10160 1 965 . 1 1 89 89 SER HB3 H 1 3.726 0.030 . 1 . . . . 89 SER HB3 . 10160 1 966 . 1 1 89 89 SER C C 13 173.462 0.300 . 1 . . . . 89 SER C . 10160 1 967 . 1 1 89 89 SER HB2 H 1 3.726 0.030 . 1 . . . . 89 SER HB2 . 10160 1 968 . 1 1 90 90 ILE N N 15 127.805 0.300 . 1 . . . . 90 ILE N . 10160 1 969 . 1 1 90 90 ILE H H 1 9.536 0.030 . 1 . . . . 90 ILE H . 10160 1 970 . 1 1 90 90 ILE CA C 13 61.209 0.300 . 1 . . . . 90 ILE CA . 10160 1 971 . 1 1 90 90 ILE HA H 1 4.505 0.030 . 1 . . . . 90 ILE HA . 10160 1 972 . 1 1 90 90 ILE CB C 13 39.225 0.300 . 1 . . . . 90 ILE CB . 10160 1 973 . 1 1 90 90 ILE HB H 1 1.808 0.030 . 1 . . . . 90 ILE HB . 10160 1 974 . 1 1 90 90 ILE CG1 C 13 27.760 0.300 . 1 . . . . 90 ILE CG1 . 10160 1 975 . 1 1 90 90 ILE HG13 H 1 0.615 0.030 . 2 . . . . 90 ILE HG13 . 10160 1 976 . 1 1 90 90 ILE CG2 C 13 17.652 0.300 . 1 . . . . 90 ILE CG2 . 10160 1 977 . 1 1 90 90 ILE HG21 H 1 0.530 0.030 . 1 . . . . 90 ILE HG2 . 10160 1 978 . 1 1 90 90 ILE HG22 H 1 0.530 0.030 . 1 . . . . 90 ILE HG2 . 10160 1 979 . 1 1 90 90 ILE HG23 H 1 0.530 0.030 . 1 . . . . 90 ILE HG2 . 10160 1 980 . 1 1 90 90 ILE CD1 C 13 14.965 0.300 . 1 . . . . 90 ILE CD1 . 10160 1 981 . 1 1 90 90 ILE HD11 H 1 0.575 0.030 . 1 . . . . 90 ILE HD1 . 10160 1 982 . 1 1 90 90 ILE HD12 H 1 0.575 0.030 . 1 . . . . 90 ILE HD1 . 10160 1 983 . 1 1 90 90 ILE HD13 H 1 0.575 0.030 . 1 . . . . 90 ILE HD1 . 10160 1 984 . 1 1 90 90 ILE C C 13 174.259 0.300 . 1 . . . . 90 ILE C . 10160 1 985 . 1 1 90 90 ILE HG12 H 1 1.307 0.030 . 2 . . . . 90 ILE HG12 . 10160 1 986 . 1 1 91 91 LEU N N 15 129.968 0.300 . 1 . . . . 91 LEU N . 10160 1 987 . 1 1 91 91 LEU H H 1 9.354 0.030 . 1 . . . . 91 LEU H . 10160 1 988 . 1 1 91 91 LEU CA C 13 55.510 0.300 . 1 . . . . 91 LEU CA . 10160 1 989 . 1 1 91 91 LEU HA H 1 4.774 0.030 . 1 . . . . 91 LEU HA . 10160 1 990 . 1 1 91 91 LEU CB C 13 42.674 0.300 . 1 . . . . 91 LEU CB . 10160 1 991 . 1 1 91 91 LEU HB3 H 1 1.406 0.030 . 2 . . . . 91 LEU HB3 . 10160 1 992 . 1 1 91 91 LEU CG C 13 29.737 0.300 . 1 . . . . 91 LEU CG . 10160 1 993 . 1 1 91 91 LEU HG H 1 1.612 0.030 . 1 . . . . 91 LEU HG . 10160 1 994 . 1 1 91 91 LEU CD1 C 13 25.228 0.300 . 2 . . . . 91 LEU CD1 . 10160 1 995 . 1 1 91 91 LEU HD11 H 1 0.852 0.030 . 1 . . . . 91 LEU HD1 . 10160 1 996 . 1 1 91 91 LEU HD12 H 1 0.852 0.030 . 1 . . . . 91 LEU HD1 . 10160 1 997 . 1 1 91 91 LEU HD13 H 1 0.852 0.030 . 1 . . . . 91 LEU HD1 . 10160 1 998 . 1 1 91 91 LEU CD2 C 13 26.896 0.300 . 2 . . . . 91 LEU CD2 . 10160 1 999 . 1 1 91 91 LEU HD21 H 1 0.889 0.030 . 1 . . . . 91 LEU HD2 . 10160 1 1000 . 1 1 91 91 LEU HD22 H 1 0.889 0.030 . 1 . . . . 91 LEU HD2 . 10160 1 1001 . 1 1 91 91 LEU HD23 H 1 0.889 0.030 . 1 . . . . 91 LEU HD2 . 10160 1 1002 . 1 1 91 91 LEU C C 13 175.517 0.300 . 1 . . . . 91 LEU C . 10160 1 1003 . 1 1 91 91 LEU HB2 H 1 1.869 0.030 . 2 . . . . 91 LEU HB2 . 10160 1 1004 . 1 1 92 92 VAL N N 15 124.859 0.300 . 1 . . . . 92 VAL N . 10160 1 1005 . 1 1 92 92 VAL H H 1 9.431 0.030 . 1 . . . . 92 VAL H . 10160 1 1006 . 1 1 92 92 VAL CA C 13 61.488 0.300 . 1 . . . . 92 VAL CA . 10160 1 1007 . 1 1 92 92 VAL HA H 1 4.626 0.030 . 1 . . . . 92 VAL HA . 10160 1 1008 . 1 1 92 92 VAL CB C 13 33.437 0.300 . 1 . . . . 92 VAL CB . 10160 1 1009 . 1 1 92 92 VAL HB H 1 2.198 0.030 . 1 . . . . 92 VAL HB . 10160 1 1010 . 1 1 92 92 VAL CG1 C 13 22.177 0.300 . 2 . . . . 92 VAL CG1 . 10160 1 1011 . 1 1 92 92 VAL HG11 H 1 0.893 0.030 . 1 . . . . 92 VAL HG1 . 10160 1 1012 . 1 1 92 92 VAL HG12 H 1 0.893 0.030 . 1 . . . . 92 VAL HG1 . 10160 1 1013 . 1 1 92 92 VAL HG13 H 1 0.893 0.030 . 1 . . . . 92 VAL HG1 . 10160 1 1014 . 1 1 92 92 VAL CG2 C 13 20.261 0.300 . 2 . . . . 92 VAL CG2 . 10160 1 1015 . 1 1 92 92 VAL HG21 H 1 0.958 0.030 . 1 . . . . 92 VAL HG2 . 10160 1 1016 . 1 1 92 92 VAL HG22 H 1 0.958 0.030 . 1 . . . . 92 VAL HG2 . 10160 1 1017 . 1 1 92 92 VAL HG23 H 1 0.958 0.030 . 1 . . . . 92 VAL HG2 . 10160 1 1018 . 1 1 92 92 VAL C C 13 173.589 0.300 . 1 . . . . 92 VAL C . 10160 1 1019 . 1 1 93 93 LYS N N 15 123.909 0.300 . 1 . . . . 93 LYS N . 10160 1 1020 . 1 1 93 93 LYS H H 1 8.660 0.030 . 1 . . . . 93 LYS H . 10160 1 1021 . 1 1 93 93 LYS CA C 13 53.953 0.300 . 1 . . . . 93 LYS CA . 10160 1 1022 . 1 1 93 93 LYS HA H 1 5.017 0.030 . 1 . . . . 93 LYS HA . 10160 1 1023 . 1 1 93 93 LYS CB C 13 36.475 0.300 . 1 . . . . 93 LYS CB . 10160 1 1024 . 1 1 93 93 LYS HB3 H 1 1.116 0.030 . 2 . . . . 93 LYS HB3 . 10160 1 1025 . 1 1 93 93 LYS CG C 13 24.249 0.300 . 1 . . . . 93 LYS CG . 10160 1 1026 . 1 1 93 93 LYS HG3 H 1 0.184 0.030 . 2 . . . . 93 LYS HG3 . 10160 1 1027 . 1 1 93 93 LYS CD C 13 29.566 0.300 . 1 . . . . 93 LYS CD . 10160 1 1028 . 1 1 93 93 LYS HD3 H 1 1.169 0.030 . 2 . . . . 93 LYS HD3 . 10160 1 1029 . 1 1 93 93 LYS CE C 13 41.381 0.300 . 1 . . . . 93 LYS CE . 10160 1 1030 . 1 1 93 93 LYS HE3 H 1 2.243 0.030 . 2 . . . . 93 LYS HE3 . 10160 1 1031 . 1 1 93 93 LYS C C 13 174.746 0.300 . 1 . . . . 93 LYS C . 10160 1 1032 . 1 1 93 93 LYS HB2 H 1 1.597 0.030 . 2 . . . . 93 LYS HB2 . 10160 1 1033 . 1 1 93 93 LYS HD2 H 1 1.055 0.030 . 2 . . . . 93 LYS HD2 . 10160 1 1034 . 1 1 93 93 LYS HE2 H 1 2.199 0.030 . 2 . . . . 93 LYS HE2 . 10160 1 1035 . 1 1 93 93 LYS HG2 H 1 0.898 0.030 . 2 . . . . 93 LYS HG2 . 10160 1 1036 . 1 1 94 94 TYR N N 15 120.499 0.300 . 1 . . . . 94 TYR N . 10160 1 1037 . 1 1 94 94 TYR H H 1 8.821 0.030 . 1 . . . . 94 TYR H . 10160 1 1038 . 1 1 94 94 TYR CA C 13 56.438 0.300 . 1 . . . . 94 TYR CA . 10160 1 1039 . 1 1 94 94 TYR HA H 1 5.161 0.030 . 1 . . . . 94 TYR HA . 10160 1 1040 . 1 1 94 94 TYR CB C 13 41.931 0.300 . 1 . . . . 94 TYR CB . 10160 1 1041 . 1 1 94 94 TYR HB3 H 1 2.518 0.030 . 2 . . . . 94 TYR HB3 . 10160 1 1042 . 1 1 94 94 TYR CD1 C 13 132.624 0.300 . 1 . . . . 94 TYR CD1 . 10160 1 1043 . 1 1 94 94 TYR HD1 H 1 6.873 0.030 . 1 . . . . 94 TYR HD1 . 10160 1 1044 . 1 1 94 94 TYR CD2 C 13 132.624 0.300 . 1 . . . . 94 TYR CD2 . 10160 1 1045 . 1 1 94 94 TYR HD2 H 1 6.873 0.030 . 1 . . . . 94 TYR HD2 . 10160 1 1046 . 1 1 94 94 TYR CE1 C 13 118.300 0.300 . 1 . . . . 94 TYR CE1 . 10160 1 1047 . 1 1 94 94 TYR HE1 H 1 6.716 0.030 . 1 . . . . 94 TYR HE1 . 10160 1 1048 . 1 1 94 94 TYR CE2 C 13 118.300 0.300 . 1 . . . . 94 TYR CE2 . 10160 1 1049 . 1 1 94 94 TYR HE2 H 1 6.716 0.030 . 1 . . . . 94 TYR HE2 . 10160 1 1050 . 1 1 94 94 TYR C C 13 176.635 0.300 . 1 . . . . 94 TYR C . 10160 1 1051 . 1 1 94 94 TYR HB2 H 1 2.895 0.030 . 2 . . . . 94 TYR HB2 . 10160 1 1052 . 1 1 95 95 ASN N N 15 128.155 0.300 . 1 . . . . 95 ASN N . 10160 1 1053 . 1 1 95 95 ASN H H 1 8.872 0.030 . 1 . . . . 95 ASN H . 10160 1 1054 . 1 1 95 95 ASN CA C 13 54.360 0.300 . 1 . . . . 95 ASN CA . 10160 1 1055 . 1 1 95 95 ASN HA H 1 4.215 0.030 . 1 . . . . 95 ASN HA . 10160 1 1056 . 1 1 95 95 ASN CB C 13 36.735 0.300 . 1 . . . . 95 ASN CB . 10160 1 1057 . 1 1 95 95 ASN HB3 H 1 2.441 0.030 . 2 . . . . 95 ASN HB3 . 10160 1 1058 . 1 1 95 95 ASN ND2 N 15 111.427 0.300 . 1 . . . . 95 ASN ND2 . 10160 1 1059 . 1 1 95 95 ASN HD21 H 1 6.686 0.030 . 2 . . . . 95 ASN HD21 . 10160 1 1060 . 1 1 95 95 ASN HD22 H 1 7.310 0.030 . 2 . . . . 95 ASN HD22 . 10160 1 1061 . 1 1 95 95 ASN C C 13 174.592 0.300 . 1 . . . . 95 ASN C . 10160 1 1062 . 1 1 95 95 ASN HB2 H 1 2.943 0.030 . 2 . . . . 95 ASN HB2 . 10160 1 1063 . 1 1 96 96 ASP N N 15 110.440 0.300 . 1 . . . . 96 ASP N . 10160 1 1064 . 1 1 96 96 ASP H H 1 9.304 0.030 . 1 . . . . 96 ASP H . 10160 1 1065 . 1 1 96 96 ASP CA C 13 55.920 0.300 . 1 . . . . 96 ASP CA . 10160 1 1066 . 1 1 96 96 ASP HA H 1 4.030 0.030 . 1 . . . . 96 ASP HA . 10160 1 1067 . 1 1 96 96 ASP CB C 13 40.704 0.300 . 1 . . . . 96 ASP CB . 10160 1 1068 . 1 1 96 96 ASP HB3 H 1 2.626 0.030 . 2 . . . . 96 ASP HB3 . 10160 1 1069 . 1 1 96 96 ASP C C 13 174.657 0.300 . 1 . . . . 96 ASP C . 10160 1 1070 . 1 1 96 96 ASP HB2 H 1 2.924 0.030 . 2 . . . . 96 ASP HB2 . 10160 1 1071 . 1 1 97 97 LYS N N 15 118.806 0.300 . 1 . . . . 97 LYS N . 10160 1 1072 . 1 1 97 97 LYS H H 1 7.482 0.030 . 1 . . . . 97 LYS H . 10160 1 1073 . 1 1 97 97 LYS CA C 13 54.378 0.300 . 1 . . . . 97 LYS CA . 10160 1 1074 . 1 1 97 97 LYS HA H 1 4.715 0.030 . 1 . . . . 97 LYS HA . 10160 1 1075 . 1 1 97 97 LYS CB C 13 35.127 0.300 . 1 . . . . 97 LYS CB . 10160 1 1076 . 1 1 97 97 LYS HB3 H 1 1.888 0.030 . 2 . . . . 97 LYS HB3 . 10160 1 1077 . 1 1 97 97 LYS CG C 13 24.411 0.300 . 1 . . . . 97 LYS CG . 10160 1 1078 . 1 1 97 97 LYS HG3 H 1 1.495 0.030 . 1 . . . . 97 LYS HG3 . 10160 1 1079 . 1 1 97 97 LYS CD C 13 29.121 0.300 . 1 . . . . 97 LYS CD . 10160 1 1080 . 1 1 97 97 LYS HD3 H 1 1.738 0.030 . 1 . . . . 97 LYS HD3 . 10160 1 1081 . 1 1 97 97 LYS CE C 13 42.298 0.300 . 1 . . . . 97 LYS CE . 10160 1 1082 . 1 1 97 97 LYS HE3 H 1 3.066 0.030 . 1 . . . . 97 LYS HE3 . 10160 1 1083 . 1 1 97 97 LYS C C 13 176.499 0.300 . 1 . . . . 97 LYS C . 10160 1 1084 . 1 1 97 97 LYS HB2 H 1 1.797 0.030 . 2 . . . . 97 LYS HB2 . 10160 1 1085 . 1 1 97 97 LYS HD2 H 1 1.738 0.030 . 1 . . . . 97 LYS HD2 . 10160 1 1086 . 1 1 97 97 LYS HE2 H 1 3.066 0.030 . 1 . . . . 97 LYS HE2 . 10160 1 1087 . 1 1 97 97 LYS HG2 H 1 1.495 0.030 . 1 . . . . 97 LYS HG2 . 10160 1 1088 . 1 1 98 98 HIS N N 15 124.063 0.300 . 1 . . . . 98 HIS N . 10160 1 1089 . 1 1 98 98 HIS H H 1 8.795 0.030 . 1 . . . . 98 HIS H . 10160 1 1090 . 1 1 98 98 HIS CA C 13 58.870 0.300 . 1 . . . . 98 HIS CA . 10160 1 1091 . 1 1 98 98 HIS HA H 1 4.496 0.030 . 1 . . . . 98 HIS HA . 10160 1 1092 . 1 1 98 98 HIS CB C 13 32.178 0.300 . 1 . . . . 98 HIS CB . 10160 1 1093 . 1 1 98 98 HIS HB3 H 1 2.882 0.030 . 2 . . . . 98 HIS HB3 . 10160 1 1094 . 1 1 98 98 HIS CD2 C 13 117.975 0.300 . 1 . . . . 98 HIS CD2 . 10160 1 1095 . 1 1 98 98 HIS HD2 H 1 7.187 0.030 . 1 . . . . 98 HIS HD2 . 10160 1 1096 . 1 1 98 98 HIS CE1 C 13 136.423 0.300 . 1 . . . . 98 HIS CE1 . 10160 1 1097 . 1 1 98 98 HIS HE1 H 1 7.287 0.030 . 1 . . . . 98 HIS HE1 . 10160 1 1098 . 1 1 98 98 HIS C C 13 177.720 0.300 . 1 . . . . 98 HIS C . 10160 1 1099 . 1 1 98 98 HIS HB2 H 1 3.165 0.030 . 2 . . . . 98 HIS HB2 . 10160 1 1100 . 1 1 99 99 ILE N N 15 120.049 0.300 . 1 . . . . 99 ILE N . 10160 1 1101 . 1 1 99 99 ILE H H 1 8.380 0.030 . 1 . . . . 99 ILE H . 10160 1 1102 . 1 1 99 99 ILE CA C 13 60.674 0.300 . 1 . . . . 99 ILE CA . 10160 1 1103 . 1 1 99 99 ILE HA H 1 4.696 0.030 . 1 . . . . 99 ILE HA . 10160 1 1104 . 1 1 99 99 ILE CB C 13 35.539 0.300 . 1 . . . . 99 ILE CB . 10160 1 1105 . 1 1 99 99 ILE HB H 1 2.257 0.030 . 1 . . . . 99 ILE HB . 10160 1 1106 . 1 1 99 99 ILE CG1 C 13 25.159 0.300 . 1 . . . . 99 ILE CG1 . 10160 1 1107 . 1 1 99 99 ILE HG13 H 1 1.471 0.030 . 1 . . . . 99 ILE HG13 . 10160 1 1108 . 1 1 99 99 ILE CG2 C 13 18.037 0.300 . 1 . . . . 99 ILE CG2 . 10160 1 1109 . 1 1 99 99 ILE HG21 H 1 0.991 0.030 . 1 . . . . 99 ILE HG2 . 10160 1 1110 . 1 1 99 99 ILE HG22 H 1 0.991 0.030 . 1 . . . . 99 ILE HG2 . 10160 1 1111 . 1 1 99 99 ILE HG23 H 1 0.991 0.030 . 1 . . . . 99 ILE HG2 . 10160 1 1112 . 1 1 99 99 ILE CD1 C 13 15.757 0.300 . 1 . . . . 99 ILE CD1 . 10160 1 1113 . 1 1 99 99 ILE HD11 H 1 0.929 0.030 . 1 . . . . 99 ILE HD1 . 10160 1 1114 . 1 1 99 99 ILE HD12 H 1 0.929 0.030 . 1 . . . . 99 ILE HD1 . 10160 1 1115 . 1 1 99 99 ILE HD13 H 1 0.929 0.030 . 1 . . . . 99 ILE HD1 . 10160 1 1116 . 1 1 99 99 ILE C C 13 173.419 0.300 . 1 . . . . 99 ILE C . 10160 1 1117 . 1 1 99 99 ILE HG12 H 1 1.471 0.030 . 1 . . . . 99 ILE HG12 . 10160 1 1118 . 1 1 100 100 PRO CA C 13 65.343 0.300 . 1 . . . . 100 PRO CA . 10160 1 1119 . 1 1 100 100 PRO HA H 1 4.255 0.030 . 1 . . . . 100 PRO HA . 10160 1 1120 . 1 1 100 100 PRO CB C 13 31.128 0.300 . 1 . . . . 100 PRO CB . 10160 1 1121 . 1 1 100 100 PRO HB3 H 1 1.999 0.030 . 2 . . . . 100 PRO HB3 . 10160 1 1122 . 1 1 100 100 PRO CG C 13 28.476 0.300 . 1 . . . . 100 PRO CG . 10160 1 1123 . 1 1 100 100 PRO HG3 H 1 2.016 0.030 . 2 . . . . 100 PRO HG3 . 10160 1 1124 . 1 1 100 100 PRO CD C 13 50.792 0.300 . 1 . . . . 100 PRO CD . 10160 1 1125 . 1 1 100 100 PRO HD3 H 1 4.010 0.030 . 2 . . . . 100 PRO HD3 . 10160 1 1126 . 1 1 100 100 PRO C C 13 176.734 0.300 . 1 . . . . 100 PRO C . 10160 1 1127 . 1 1 100 100 PRO HB2 H 1 2.302 0.030 . 2 . . . . 100 PRO HB2 . 10160 1 1128 . 1 1 100 100 PRO HD2 H 1 3.814 0.030 . 2 . . . . 100 PRO HD2 . 10160 1 1129 . 1 1 100 100 PRO HG2 H 1 2.285 0.030 . 2 . . . . 100 PRO HG2 . 10160 1 1130 . 1 1 101 101 GLY N N 15 113.906 0.300 . 1 . . . . 101 GLY N . 10160 1 1131 . 1 1 101 101 GLY H H 1 8.167 0.030 . 1 . . . . 101 GLY H . 10160 1 1132 . 1 1 101 101 GLY CA C 13 44.668 0.300 . 1 . . . . 101 GLY CA . 10160 1 1133 . 1 1 101 101 GLY HA3 H 1 3.120 0.030 . 2 . . . . 101 GLY HA3 . 10160 1 1134 . 1 1 101 101 GLY C C 13 171.985 0.300 . 1 . . . . 101 GLY C . 10160 1 1135 . 1 1 101 101 GLY HA2 H 1 4.140 0.030 . 2 . . . . 101 GLY HA2 . 10160 1 1136 . 1 1 102 102 SER N N 15 112.418 0.300 . 1 . . . . 102 SER N . 10160 1 1137 . 1 1 102 102 SER H H 1 7.641 0.030 . 1 . . . . 102 SER H . 10160 1 1138 . 1 1 102 102 SER CA C 13 54.770 0.300 . 1 . . . . 102 SER CA . 10160 1 1139 . 1 1 102 102 SER HA H 1 4.107 0.030 . 1 . . . . 102 SER HA . 10160 1 1140 . 1 1 102 102 SER CB C 13 62.454 0.300 . 1 . . . . 102 SER CB . 10160 1 1141 . 1 1 102 102 SER HB3 H 1 4.409 0.030 . 2 . . . . 102 SER HB3 . 10160 1 1142 . 1 1 102 102 SER C C 13 174.682 0.300 . 1 . . . . 102 SER C . 10160 1 1143 . 1 1 102 102 SER HB2 H 1 3.702 0.030 . 2 . . . . 102 SER HB2 . 10160 1 1144 . 1 1 103 103 PRO CA C 13 62.301 0.300 . 1 . . . . 103 PRO CA . 10160 1 1145 . 1 1 103 103 PRO HA H 1 5.363 0.030 . 1 . . . . 103 PRO HA . 10160 1 1146 . 1 1 103 103 PRO CB C 13 33.964 0.300 . 1 . . . . 103 PRO CB . 10160 1 1147 . 1 1 103 103 PRO HB3 H 1 1.963 0.030 . 2 . . . . 103 PRO HB3 . 10160 1 1148 . 1 1 103 103 PRO CG C 13 25.048 0.300 . 1 . . . . 103 PRO CG . 10160 1 1149 . 1 1 103 103 PRO HG3 H 1 1.662 0.030 . 2 . . . . 103 PRO HG3 . 10160 1 1150 . 1 1 103 103 PRO CD C 13 50.013 0.300 . 1 . . . . 103 PRO CD . 10160 1 1151 . 1 1 103 103 PRO HD3 H 1 2.461 0.030 . 2 . . . . 103 PRO HD3 . 10160 1 1152 . 1 1 103 103 PRO C C 13 176.438 0.300 . 1 . . . . 103 PRO C . 10160 1 1153 . 1 1 103 103 PRO HB2 H 1 1.893 0.030 . 2 . . . . 103 PRO HB2 . 10160 1 1154 . 1 1 103 103 PRO HD2 H 1 3.233 0.030 . 2 . . . . 103 PRO HD2 . 10160 1 1155 . 1 1 103 103 PRO HG2 H 1 1.867 0.030 . 2 . . . . 103 PRO HG2 . 10160 1 1156 . 1 1 104 104 PHE N N 15 126.067 0.300 . 1 . . . . 104 PHE N . 10160 1 1157 . 1 1 104 104 PHE H H 1 9.449 0.030 . 1 . . . . 104 PHE H . 10160 1 1158 . 1 1 104 104 PHE CA C 13 57.102 0.300 . 1 . . . . 104 PHE CA . 10160 1 1159 . 1 1 104 104 PHE HA H 1 4.621 0.030 . 1 . . . . 104 PHE HA . 10160 1 1160 . 1 1 104 104 PHE CB C 13 40.656 0.300 . 1 . . . . 104 PHE CB . 10160 1 1161 . 1 1 104 104 PHE HB3 H 1 2.827 0.030 . 2 . . . . 104 PHE HB3 . 10160 1 1162 . 1 1 104 104 PHE CD1 C 13 133.027 0.300 . 1 . . . . 104 PHE CD1 . 10160 1 1163 . 1 1 104 104 PHE HD1 H 1 7.243 0.030 . 1 . . . . 104 PHE HD1 . 10160 1 1164 . 1 1 104 104 PHE CD2 C 13 133.027 0.300 . 1 . . . . 104 PHE CD2 . 10160 1 1165 . 1 1 104 104 PHE HD2 H 1 7.243 0.030 . 1 . . . . 104 PHE HD2 . 10160 1 1166 . 1 1 104 104 PHE CE1 C 13 130.222 0.300 . 1 . . . . 104 PHE CE1 . 10160 1 1167 . 1 1 104 104 PHE HE1 H 1 7.097 0.030 . 1 . . . . 104 PHE HE1 . 10160 1 1168 . 1 1 104 104 PHE CE2 C 13 130.222 0.300 . 1 . . . . 104 PHE CE2 . 10160 1 1169 . 1 1 104 104 PHE HE2 H 1 7.097 0.030 . 1 . . . . 104 PHE HE2 . 10160 1 1170 . 1 1 104 104 PHE C C 13 176.313 0.300 . 1 . . . . 104 PHE C . 10160 1 1171 . 1 1 104 104 PHE HB2 H 1 3.296 0.030 . 2 . . . . 104 PHE HB2 . 10160 1 1172 . 1 1 105 105 THR N N 15 118.402 0.300 . 1 . . . . 105 THR N . 10160 1 1173 . 1 1 105 105 THR H H 1 8.842 0.030 . 1 . . . . 105 THR H . 10160 1 1174 . 1 1 105 105 THR CA C 13 62.018 0.300 . 1 . . . . 105 THR CA . 10160 1 1175 . 1 1 105 105 THR HA H 1 5.153 0.030 . 1 . . . . 105 THR HA . 10160 1 1176 . 1 1 105 105 THR CB C 13 70.095 0.300 . 1 . . . . 105 THR CB . 10160 1 1177 . 1 1 105 105 THR HB H 1 4.038 0.030 . 1 . . . . 105 THR HB . 10160 1 1178 . 1 1 105 105 THR CG2 C 13 20.999 0.300 . 1 . . . . 105 THR CG2 . 10160 1 1179 . 1 1 105 105 THR HG21 H 1 1.040 0.030 . 1 . . . . 105 THR HG2 . 10160 1 1180 . 1 1 105 105 THR HG22 H 1 1.040 0.030 . 1 . . . . 105 THR HG2 . 10160 1 1181 . 1 1 105 105 THR HG23 H 1 1.040 0.030 . 1 . . . . 105 THR HG2 . 10160 1 1182 . 1 1 105 105 THR C C 13 172.525 0.300 . 1 . . . . 105 THR C . 10160 1 1183 . 1 1 106 106 ALA N N 15 131.132 0.300 . 1 . . . . 106 ALA N . 10160 1 1184 . 1 1 106 106 ALA H H 1 9.192 0.030 . 1 . . . . 106 ALA H . 10160 1 1185 . 1 1 106 106 ALA CA C 13 50.187 0.300 . 1 . . . . 106 ALA CA . 10160 1 1186 . 1 1 106 106 ALA HA H 1 4.435 0.030 . 1 . . . . 106 ALA HA . 10160 1 1187 . 1 1 106 106 ALA CB C 13 21.021 0.300 . 1 . . . . 106 ALA CB . 10160 1 1188 . 1 1 106 106 ALA HB1 H 1 1.031 0.030 . 1 . . . . 106 ALA HB . 10160 1 1189 . 1 1 106 106 ALA HB2 H 1 1.031 0.030 . 1 . . . . 106 ALA HB . 10160 1 1190 . 1 1 106 106 ALA HB3 H 1 1.031 0.030 . 1 . . . . 106 ALA HB . 10160 1 1191 . 1 1 106 106 ALA C C 13 176.136 0.300 . 1 . . . . 106 ALA C . 10160 1 1192 . 1 1 107 107 LYS N N 15 122.751 0.300 . 1 . . . . 107 LYS N . 10160 1 1193 . 1 1 107 107 LYS H H 1 7.746 0.030 . 1 . . . . 107 LYS H . 10160 1 1194 . 1 1 107 107 LYS CA C 13 55.652 0.300 . 1 . . . . 107 LYS CA . 10160 1 1195 . 1 1 107 107 LYS HA H 1 4.797 0.030 . 1 . . . . 107 LYS HA . 10160 1 1196 . 1 1 107 107 LYS CB C 13 32.606 0.300 . 1 . . . . 107 LYS CB . 10160 1 1197 . 1 1 107 107 LYS HB3 H 1 1.934 0.030 . 1 . . . . 107 LYS HB3 . 10160 1 1198 . 1 1 107 107 LYS CG C 13 24.500 0.300 . 1 . . . . 107 LYS CG . 10160 1 1199 . 1 1 107 107 LYS HG3 H 1 1.527 0.030 . 2 . . . . 107 LYS HG3 . 10160 1 1200 . 1 1 107 107 LYS CD C 13 28.945 0.300 . 1 . . . . 107 LYS CD . 10160 1 1201 . 1 1 107 107 LYS HD3 H 1 1.775 0.030 . 1 . . . . 107 LYS HD3 . 10160 1 1202 . 1 1 107 107 LYS CE C 13 41.969 0.300 . 1 . . . . 107 LYS CE . 10160 1 1203 . 1 1 107 107 LYS HE3 H 1 3.042 0.030 . 1 . . . . 107 LYS HE3 . 10160 1 1204 . 1 1 107 107 LYS C C 13 174.648 0.300 . 1 . . . . 107 LYS C . 10160 1 1205 . 1 1 107 107 LYS HB2 H 1 1.934 0.030 . 1 . . . . 107 LYS HB2 . 10160 1 1206 . 1 1 107 107 LYS HD2 H 1 1.775 0.030 . 1 . . . . 107 LYS HD2 . 10160 1 1207 . 1 1 107 107 LYS HE2 H 1 3.042 0.030 . 1 . . . . 107 LYS HE2 . 10160 1 1208 . 1 1 107 107 LYS HG2 H 1 1.443 0.030 . 2 . . . . 107 LYS HG2 . 10160 1 1209 . 1 1 108 108 ILE N N 15 127.629 0.300 . 1 . . . . 108 ILE N . 10160 1 1210 . 1 1 108 108 ILE H H 1 9.024 0.030 . 1 . . . . 108 ILE H . 10160 1 1211 . 1 1 108 108 ILE CA C 13 56.801 0.300 . 1 . . . . 108 ILE CA . 10160 1 1212 . 1 1 108 108 ILE HA H 1 4.688 0.030 . 1 . . . . 108 ILE HA . 10160 1 1213 . 1 1 108 108 ILE CB C 13 35.101 0.300 . 1 . . . . 108 ILE CB . 10160 1 1214 . 1 1 108 108 ILE HB H 1 2.613 0.030 . 1 . . . . 108 ILE HB . 10160 1 1215 . 1 1 108 108 ILE CG1 C 13 27.708 0.300 . 1 . . . . 108 ILE CG1 . 10160 1 1216 . 1 1 108 108 ILE HG13 H 1 0.667 0.030 . 2 . . . . 108 ILE HG13 . 10160 1 1217 . 1 1 108 108 ILE CG2 C 13 17.415 0.300 . 1 . . . . 108 ILE CG2 . 10160 1 1218 . 1 1 108 108 ILE HG21 H 1 0.614 0.030 . 1 . . . . 108 ILE HG2 . 10160 1 1219 . 1 1 108 108 ILE HG22 H 1 0.614 0.030 . 1 . . . . 108 ILE HG2 . 10160 1 1220 . 1 1 108 108 ILE HG23 H 1 0.614 0.030 . 1 . . . . 108 ILE HG2 . 10160 1 1221 . 1 1 108 108 ILE CD1 C 13 7.376 0.300 . 1 . . . . 108 ILE CD1 . 10160 1 1222 . 1 1 108 108 ILE HD11 H 1 0.471 0.030 . 1 . . . . 108 ILE HD1 . 10160 1 1223 . 1 1 108 108 ILE HD12 H 1 0.471 0.030 . 1 . . . . 108 ILE HD1 . 10160 1 1224 . 1 1 108 108 ILE HD13 H 1 0.471 0.030 . 1 . . . . 108 ILE HD1 . 10160 1 1225 . 1 1 108 108 ILE C C 13 178.159 0.300 . 1 . . . . 108 ILE C . 10160 1 1226 . 1 1 108 108 ILE HG12 H 1 1.609 0.030 . 2 . . . . 108 ILE HG12 . 10160 1 1227 . 1 1 109 109 THR N N 15 121.563 0.300 . 1 . . . . 109 THR N . 10160 1 1228 . 1 1 109 109 THR H H 1 8.861 0.030 . 1 . . . . 109 THR H . 10160 1 1229 . 1 1 109 109 THR CA C 13 60.745 0.300 . 1 . . . . 109 THR CA . 10160 1 1230 . 1 1 109 109 THR HA H 1 4.778 0.030 . 1 . . . . 109 THR HA . 10160 1 1231 . 1 1 109 109 THR CB C 13 71.067 0.300 . 1 . . . . 109 THR CB . 10160 1 1232 . 1 1 109 109 THR HB H 1 4.483 0.030 . 1 . . . . 109 THR HB . 10160 1 1233 . 1 1 109 109 THR CG2 C 13 21.599 0.300 . 1 . . . . 109 THR CG2 . 10160 1 1234 . 1 1 109 109 THR HG21 H 1 1.353 0.030 . 1 . . . . 109 THR HG2 . 10160 1 1235 . 1 1 109 109 THR HG22 H 1 1.353 0.030 . 1 . . . . 109 THR HG2 . 10160 1 1236 . 1 1 109 109 THR HG23 H 1 1.353 0.030 . 1 . . . . 109 THR HG2 . 10160 1 1237 . 1 1 109 109 THR C C 13 173.421 0.300 . 1 . . . . 109 THR C . 10160 1 1238 . 1 1 110 110 ASP N N 15 119.526 0.300 . 1 . . . . 110 ASP N . 10160 1 1239 . 1 1 110 110 ASP H H 1 8.631 0.030 . 1 . . . . 110 ASP H . 10160 1 1240 . 1 1 110 110 ASP CA C 13 53.971 0.300 . 1 . . . . 110 ASP CA . 10160 1 1241 . 1 1 110 110 ASP HA H 1 4.729 0.030 . 1 . . . . 110 ASP HA . 10160 1 1242 . 1 1 110 110 ASP CB C 13 42.087 0.300 . 1 . . . . 110 ASP CB . 10160 1 1243 . 1 1 110 110 ASP HB3 H 1 2.736 0.030 . 2 . . . . 110 ASP HB3 . 10160 1 1244 . 1 1 110 110 ASP C C 13 176.124 0.300 . 1 . . . . 110 ASP C . 10160 1 1245 . 1 1 110 110 ASP HB2 H 1 2.626 0.030 . 2 . . . . 110 ASP HB2 . 10160 1 1246 . 1 1 111 111 ASP N N 15 122.287 0.300 . 1 . . . . 111 ASP N . 10160 1 1247 . 1 1 111 111 ASP H H 1 8.638 0.030 . 1 . . . . 111 ASP H . 10160 1 1248 . 1 1 111 111 ASP CA C 13 54.042 0.300 . 1 . . . . 111 ASP CA . 10160 1 1249 . 1 1 111 111 ASP HA H 1 4.644 0.030 . 1 . . . . 111 ASP HA . 10160 1 1250 . 1 1 111 111 ASP CB C 13 41.218 0.300 . 1 . . . . 111 ASP CB . 10160 1 1251 . 1 1 111 111 ASP HB3 H 1 2.752 0.030 . 2 . . . . 111 ASP HB3 . 10160 1 1252 . 1 1 111 111 ASP C C 13 176.668 0.300 . 1 . . . . 111 ASP C . 10160 1 1253 . 1 1 111 111 ASP HB2 H 1 2.711 0.030 . 2 . . . . 111 ASP HB2 . 10160 1 1254 . 1 1 112 112 SER N N 15 117.157 0.300 . 1 . . . . 112 SER N . 10160 1 1255 . 1 1 112 112 SER H H 1 8.416 0.030 . 1 . . . . 112 SER H . 10160 1 1256 . 1 1 112 112 SER CA C 13 59.277 0.300 . 1 . . . . 112 SER CA . 10160 1 1257 . 1 1 112 112 SER HA H 1 4.348 0.030 . 1 . . . . 112 SER HA . 10160 1 1258 . 1 1 112 112 SER CB C 13 63.943 0.300 . 1 . . . . 112 SER CB . 10160 1 1259 . 1 1 112 112 SER HB3 H 1 3.897 0.030 . 1 . . . . 112 SER HB3 . 10160 1 1260 . 1 1 112 112 SER C C 13 174.721 0.300 . 1 . . . . 112 SER C . 10160 1 1261 . 1 1 112 112 SER HB2 H 1 3.897 0.030 . 1 . . . . 112 SER HB2 . 10160 1 1262 . 1 1 113 113 ARG N N 15 122.178 0.300 . 1 . . . . 113 ARG N . 10160 1 1263 . 1 1 113 113 ARG H H 1 8.238 0.030 . 1 . . . . 113 ARG H . 10160 1 1264 . 1 1 113 113 ARG CA C 13 56.195 0.300 . 1 . . . . 113 ARG CA . 10160 1 1265 . 1 1 113 113 ARG HA H 1 4.347 0.030 . 1 . . . . 113 ARG HA . 10160 1 1266 . 1 1 113 113 ARG CB C 13 30.470 0.300 . 1 . . . . 113 ARG CB . 10160 1 1267 . 1 1 113 113 ARG HB3 H 1 1.799 0.030 . 2 . . . . 113 ARG HB3 . 10160 1 1268 . 1 1 113 113 ARG CG C 13 27.079 0.300 . 1 . . . . 113 ARG CG . 10160 1 1269 . 1 1 113 113 ARG HG3 H 1 1.654 0.030 . 1 . . . . 113 ARG HG3 . 10160 1 1270 . 1 1 113 113 ARG CD C 13 43.370 0.300 . 1 . . . . 113 ARG CD . 10160 1 1271 . 1 1 113 113 ARG C C 13 176.207 0.300 . 1 . . . . 113 ARG C . 10160 1 1272 . 1 1 113 113 ARG HB2 H 1 1.903 0.030 . 2 . . . . 113 ARG HB2 . 10160 1 1273 . 1 1 113 113 ARG HD2 H 1 3.201 0.030 . 2 . . . . 113 ARG HD2 . 10160 1 1274 . 1 1 113 113 ARG HG2 H 1 1.654 0.030 . 1 . . . . 113 ARG HG2 . 10160 1 1275 . 1 1 114 114 ARG N N 15 122.696 0.300 . 1 . . . . 114 ARG N . 10160 1 1276 . 1 1 114 114 ARG H H 1 8.338 0.030 . 1 . . . . 114 ARG H . 10160 1 1277 . 1 1 114 114 ARG CA C 13 56.164 0.300 . 1 . . . . 114 ARG CA . 10160 1 1278 . 1 1 114 114 ARG HA H 1 4.390 0.030 . 1 . . . . 114 ARG HA . 10160 1 1279 . 1 1 114 114 ARG CB C 13 30.679 0.300 . 1 . . . . 114 ARG CB . 10160 1 1280 . 1 1 114 114 ARG HB3 H 1 1.783 0.030 . 2 . . . . 114 ARG HB3 . 10160 1 1281 . 1 1 114 114 ARG CG C 13 26.967 0.300 . 1 . . . . 114 ARG CG . 10160 1 1282 . 1 1 114 114 ARG HG3 H 1 1.614 0.030 . 2 . . . . 114 ARG HG3 . 10160 1 1283 . 1 1 114 114 ARG CD C 13 43.316 0.300 . 1 . . . . 114 ARG CD . 10160 1 1284 . 1 1 114 114 ARG HD3 H 1 3.202 0.030 . 1 . . . . 114 ARG HD3 . 10160 1 1285 . 1 1 114 114 ARG C C 13 175.468 0.300 . 1 . . . . 114 ARG C . 10160 1 1286 . 1 1 114 114 ARG HB2 H 1 1.910 0.030 . 2 . . . . 114 ARG HB2 . 10160 1 1287 . 1 1 114 114 ARG HD2 H 1 3.202 0.030 . 1 . . . . 114 ARG HD2 . 10160 1 1288 . 1 1 114 114 ARG HG2 H 1 1.648 0.030 . 2 . . . . 114 ARG HG2 . 10160 1 1289 . 1 1 115 115 CYS N N 15 124.428 0.300 . 1 . . . . 115 CYS N . 10160 1 1290 . 1 1 115 115 CYS H H 1 8.007 0.030 . 1 . . . . 115 CYS H . 10160 1 1291 . 1 1 115 115 CYS CA C 13 59.401 0.300 . 1 . . . . 115 CYS CA . 10160 1 1292 . 1 1 115 115 CYS HA H 1 4.371 0.030 . 1 . . . . 115 CYS HA . 10160 1 1293 . 1 1 115 115 CYS CB C 13 29.103 0.300 . 1 . . . . 115 CYS CB . 10160 1 1294 . 1 1 115 115 CYS HB3 H 1 2.928 0.030 . 1 . . . . 115 CYS HB3 . 10160 1 1295 . 1 1 115 115 CYS C C 13 178.641 0.300 . 1 . . . . 115 CYS C . 10160 1 1296 . 1 1 115 115 CYS HB2 H 1 2.928 0.030 . 1 . . . . 115 CYS HB2 . 10160 1 stop_ save_