data_10259 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10259 _Entry.Title ; Solution structures of the PDZ domain of human unnamed protein product ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-21 _Entry.Accession_date 2008-11-21 _Entry.Last_release_date 2009-11-24 _Entry.Original_release_date 2009-11-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 M. Sato . . . 10259 2 S. Koshiba . . . 10259 3 M. Inoue . . . 10259 4 T. Kigawa . . . 10259 5 S. Yokoyama . . . 10259 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' 10259 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10259 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 10259 '15N chemical shifts' 98 10259 '1H chemical shifts' 646 10259 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 . . 2009-11-24 2008-11-21 original author . 10259 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJT 'BMRB Entry Tracking System' 10259 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10259 _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 structures of the PDZ domain of human unnamed protein product' _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 M. Sato . . . 10259 1 2 S. Koshiba . . . 10259 1 3 M. Inoue . . . 10259 1 4 T. Kigawa . . . 10259 1 5 S. Yokoyama . . . 10259 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10259 _Assembly.ID 1 _Assembly.Name 'human unnamed protein product' _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 'PDZ domain' 1 $entity_1 . . yes native no no . . . 10259 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 2DJT . . . . . . 10259 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10259 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ 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 ; GSSGSSGQASGHFSVELVRG YAGFGLTLGGGRDVAGDTPL AVRGLLKDGPAQRCGRLEVG DLVLHINGESTQGLTHAQAV ERIRAGGPQLHLVIRRPLSG PSSG ; _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 104 _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 2DJT . "Solution Structures Of The Pdz Domain Of Human Unnamed Protein Product" . . . . . 100.00 104 100.00 100.00 4.53e-64 . . . . 10259 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 . 10259 1 2 . SER . 10259 1 3 . SER . 10259 1 4 . GLY . 10259 1 5 . SER . 10259 1 6 . SER . 10259 1 7 . GLY . 10259 1 8 . GLN . 10259 1 9 . ALA . 10259 1 10 . SER . 10259 1 11 . GLY . 10259 1 12 . HIS . 10259 1 13 . PHE . 10259 1 14 . SER . 10259 1 15 . VAL . 10259 1 16 . GLU . 10259 1 17 . LEU . 10259 1 18 . VAL . 10259 1 19 . ARG . 10259 1 20 . GLY . 10259 1 21 . TYR . 10259 1 22 . ALA . 10259 1 23 . GLY . 10259 1 24 . PHE . 10259 1 25 . GLY . 10259 1 26 . LEU . 10259 1 27 . THR . 10259 1 28 . LEU . 10259 1 29 . GLY . 10259 1 30 . GLY . 10259 1 31 . GLY . 10259 1 32 . ARG . 10259 1 33 . ASP . 10259 1 34 . VAL . 10259 1 35 . ALA . 10259 1 36 . GLY . 10259 1 37 . ASP . 10259 1 38 . THR . 10259 1 39 . PRO . 10259 1 40 . LEU . 10259 1 41 . ALA . 10259 1 42 . VAL . 10259 1 43 . ARG . 10259 1 44 . GLY . 10259 1 45 . LEU . 10259 1 46 . LEU . 10259 1 47 . LYS . 10259 1 48 . ASP . 10259 1 49 . GLY . 10259 1 50 . PRO . 10259 1 51 . ALA . 10259 1 52 . GLN . 10259 1 53 . ARG . 10259 1 54 . CYS . 10259 1 55 . GLY . 10259 1 56 . ARG . 10259 1 57 . LEU . 10259 1 58 . GLU . 10259 1 59 . VAL . 10259 1 60 . GLY . 10259 1 61 . ASP . 10259 1 62 . LEU . 10259 1 63 . VAL . 10259 1 64 . LEU . 10259 1 65 . HIS . 10259 1 66 . ILE . 10259 1 67 . ASN . 10259 1 68 . GLY . 10259 1 69 . GLU . 10259 1 70 . SER . 10259 1 71 . THR . 10259 1 72 . GLN . 10259 1 73 . GLY . 10259 1 74 . LEU . 10259 1 75 . THR . 10259 1 76 . HIS . 10259 1 77 . ALA . 10259 1 78 . GLN . 10259 1 79 . ALA . 10259 1 80 . VAL . 10259 1 81 . GLU . 10259 1 82 . ARG . 10259 1 83 . ILE . 10259 1 84 . ARG . 10259 1 85 . ALA . 10259 1 86 . GLY . 10259 1 87 . GLY . 10259 1 88 . PRO . 10259 1 89 . GLN . 10259 1 90 . LEU . 10259 1 91 . HIS . 10259 1 92 . LEU . 10259 1 93 . VAL . 10259 1 94 . ILE . 10259 1 95 . ARG . 10259 1 96 . ARG . 10259 1 97 . PRO . 10259 1 98 . LEU . 10259 1 99 . SER . 10259 1 100 . GLY . 10259 1 101 . PRO . 10259 1 102 . SER . 10259 1 103 . SER . 10259 1 104 . GLY . 10259 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 10259 1 . SER 2 2 10259 1 . SER 3 3 10259 1 . GLY 4 4 10259 1 . SER 5 5 10259 1 . SER 6 6 10259 1 . GLY 7 7 10259 1 . GLN 8 8 10259 1 . ALA 9 9 10259 1 . SER 10 10 10259 1 . GLY 11 11 10259 1 . HIS 12 12 10259 1 . PHE 13 13 10259 1 . SER 14 14 10259 1 . VAL 15 15 10259 1 . GLU 16 16 10259 1 . LEU 17 17 10259 1 . VAL 18 18 10259 1 . ARG 19 19 10259 1 . GLY 20 20 10259 1 . TYR 21 21 10259 1 . ALA 22 22 10259 1 . GLY 23 23 10259 1 . PHE 24 24 10259 1 . GLY 25 25 10259 1 . LEU 26 26 10259 1 . THR 27 27 10259 1 . LEU 28 28 10259 1 . GLY 29 29 10259 1 . GLY 30 30 10259 1 . GLY 31 31 10259 1 . ARG 32 32 10259 1 . ASP 33 33 10259 1 . VAL 34 34 10259 1 . ALA 35 35 10259 1 . GLY 36 36 10259 1 . ASP 37 37 10259 1 . THR 38 38 10259 1 . PRO 39 39 10259 1 . LEU 40 40 10259 1 . ALA 41 41 10259 1 . VAL 42 42 10259 1 . ARG 43 43 10259 1 . GLY 44 44 10259 1 . LEU 45 45 10259 1 . LEU 46 46 10259 1 . LYS 47 47 10259 1 . ASP 48 48 10259 1 . GLY 49 49 10259 1 . PRO 50 50 10259 1 . ALA 51 51 10259 1 . GLN 52 52 10259 1 . ARG 53 53 10259 1 . CYS 54 54 10259 1 . GLY 55 55 10259 1 . ARG 56 56 10259 1 . LEU 57 57 10259 1 . GLU 58 58 10259 1 . VAL 59 59 10259 1 . GLY 60 60 10259 1 . ASP 61 61 10259 1 . LEU 62 62 10259 1 . VAL 63 63 10259 1 . LEU 64 64 10259 1 . HIS 65 65 10259 1 . ILE 66 66 10259 1 . ASN 67 67 10259 1 . GLY 68 68 10259 1 . GLU 69 69 10259 1 . SER 70 70 10259 1 . THR 71 71 10259 1 . GLN 72 72 10259 1 . GLY 73 73 10259 1 . LEU 74 74 10259 1 . THR 75 75 10259 1 . HIS 76 76 10259 1 . ALA 77 77 10259 1 . GLN 78 78 10259 1 . ALA 79 79 10259 1 . VAL 80 80 10259 1 . GLU 81 81 10259 1 . ARG 82 82 10259 1 . ILE 83 83 10259 1 . ARG 84 84 10259 1 . ALA 85 85 10259 1 . GLY 86 86 10259 1 . GLY 87 87 10259 1 . PRO 88 88 10259 1 . GLN 89 89 10259 1 . LEU 90 90 10259 1 . HIS 91 91 10259 1 . LEU 92 92 10259 1 . VAL 93 93 10259 1 . ILE 94 94 10259 1 . ARG 95 95 10259 1 . ARG 96 96 10259 1 . PRO 97 97 10259 1 . LEU 98 98 10259 1 . SER 99 99 10259 1 . GLY 100 100 10259 1 . PRO 101 101 10259 1 . SER 102 102 10259 1 . SER 103 103 10259 1 . GLY 104 104 10259 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 10259 _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 . . . . . . . . . . . . . . . . . . . . . 10259 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 10259 _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 . . P050829-16 . . . . . . 10259 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10259 _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 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10259 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10259 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10259 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10259 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10259 1 6 H2O . . . . . . solvent 90 . . % . . . . 10259 1 7 D2O . . . . . . solvent 10 . . % . . . . 10259 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 10259 _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 10259 1 pH 7.0 0.05 pH 10259 1 pressure 1 0.001 atm 10259 1 temperature 296 0.1 K 10259 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10259 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10259 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10259 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10259 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10259 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10259 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10259 _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.' . . 10259 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10259 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10259 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10259 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10259 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10259 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10259 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10259 5 'structure solution' 10259 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 10259 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ 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 10259 _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 . 700 . . . 10259 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 10259 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10259 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10259 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 10259 _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 . . . . . . . . . 10259 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10259 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10259 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 10259 _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 10259 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10259 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 2 2 SER HA H 1 4.493 0.030 . 1 . . . . 2 SER HA . 10259 1 2 . 1 1 2 2 SER HB2 H 1 3.892 0.030 . 1 . . . . 2 SER HB2 . 10259 1 3 . 1 1 2 2 SER HB3 H 1 3.892 0.030 . 1 . . . . 2 SER HB3 . 10259 1 4 . 1 1 2 2 SER C C 13 174.671 0.300 . 1 . . . . 2 SER C . 10259 1 5 . 1 1 2 2 SER CA C 13 58.438 0.300 . 1 . . . . 2 SER CA . 10259 1 6 . 1 1 2 2 SER CB C 13 63.558 0.300 . 1 . . . . 2 SER CB . 10259 1 7 . 1 1 3 3 SER H H 1 8.324 0.030 . 1 . . . . 3 SER H . 10259 1 8 . 1 1 3 3 SER HA H 1 4.493 0.030 . 1 . . . . 3 SER HA . 10259 1 9 . 1 1 3 3 SER HB2 H 1 3.892 0.030 . 1 . . . . 3 SER HB2 . 10259 1 10 . 1 1 3 3 SER HB3 H 1 3.892 0.030 . 1 . . . . 3 SER HB3 . 10259 1 11 . 1 1 3 3 SER C C 13 173.918 0.300 . 1 . . . . 3 SER C . 10259 1 12 . 1 1 3 3 SER CA C 13 58.455 0.300 . 1 . . . . 3 SER CA . 10259 1 13 . 1 1 3 3 SER CB C 13 63.929 0.300 . 1 . . . . 3 SER CB . 10259 1 14 . 1 1 3 3 SER N N 15 117.862 0.300 . 1 . . . . 3 SER N . 10259 1 15 . 1 1 4 4 GLY H H 1 8.045 0.030 . 1 . . . . 4 GLY H . 10259 1 16 . 1 1 4 4 GLY C C 13 179.001 0.300 . 1 . . . . 4 GLY C . 10259 1 17 . 1 1 4 4 GLY CA C 13 46.201 0.300 . 1 . . . . 4 GLY CA . 10259 1 18 . 1 1 4 4 GLY N N 15 116.862 0.300 . 1 . . . . 4 GLY N . 10259 1 19 . 1 1 6 6 SER HA H 1 4.461 0.030 . 1 . . . . 6 SER HA . 10259 1 20 . 1 1 6 6 SER HB2 H 1 3.902 0.030 . 1 . . . . 6 SER HB2 . 10259 1 21 . 1 1 6 6 SER HB3 H 1 3.902 0.030 . 1 . . . . 6 SER HB3 . 10259 1 22 . 1 1 6 6 SER C C 13 175.170 0.300 . 1 . . . . 6 SER C . 10259 1 23 . 1 1 6 6 SER CA C 13 58.755 0.300 . 1 . . . . 6 SER CA . 10259 1 24 . 1 1 6 6 SER CB C 13 63.862 0.300 . 1 . . . . 6 SER CB . 10259 1 25 . 1 1 7 7 GLY H H 1 8.432 0.030 . 1 . . . . 7 GLY H . 10259 1 26 . 1 1 7 7 GLY HA2 H 1 3.966 0.030 . 2 . . . . 7 GLY HA2 . 10259 1 27 . 1 1 7 7 GLY C C 13 174.309 0.300 . 1 . . . . 7 GLY C . 10259 1 28 . 1 1 7 7 GLY CA C 13 45.408 0.300 . 1 . . . . 7 GLY CA . 10259 1 29 . 1 1 7 7 GLY N N 15 110.678 0.300 . 1 . . . . 7 GLY N . 10259 1 30 . 1 1 8 8 GLN H H 1 8.210 0.030 . 1 . . . . 8 GLN H . 10259 1 31 . 1 1 8 8 GLN HA H 1 4.324 0.030 . 1 . . . . 8 GLN HA . 10259 1 32 . 1 1 8 8 GLN HB2 H 1 2.107 0.030 . 2 . . . . 8 GLN HB2 . 10259 1 33 . 1 1 8 8 GLN HB3 H 1 1.958 0.030 . 2 . . . . 8 GLN HB3 . 10259 1 34 . 1 1 8 8 GLN HE21 H 1 7.538 0.030 . 2 . . . . 8 GLN HE21 . 10259 1 35 . 1 1 8 8 GLN HE22 H 1 6.847 0.030 . 2 . . . . 8 GLN HE22 . 10259 1 36 . 1 1 8 8 GLN HG2 H 1 2.345 0.030 . 1 . . . . 8 GLN HG2 . 10259 1 37 . 1 1 8 8 GLN HG3 H 1 2.345 0.030 . 1 . . . . 8 GLN HG3 . 10259 1 38 . 1 1 8 8 GLN C C 13 176.037 0.300 . 1 . . . . 8 GLN C . 10259 1 39 . 1 1 8 8 GLN CA C 13 55.970 0.300 . 1 . . . . 8 GLN CA . 10259 1 40 . 1 1 8 8 GLN CB C 13 29.562 0.300 . 1 . . . . 8 GLN CB . 10259 1 41 . 1 1 8 8 GLN CG C 13 33.806 0.300 . 1 . . . . 8 GLN CG . 10259 1 42 . 1 1 8 8 GLN N N 15 119.977 0.300 . 1 . . . . 8 GLN N . 10259 1 43 . 1 1 8 8 GLN NE2 N 15 112.395 0.300 . 1 . . . . 8 GLN NE2 . 10259 1 44 . 1 1 9 9 ALA H H 1 8.394 0.030 . 1 . . . . 9 ALA H . 10259 1 45 . 1 1 9 9 ALA HA H 1 4.319 0.030 . 1 . . . . 9 ALA HA . 10259 1 46 . 1 1 9 9 ALA HB1 H 1 1.327 0.030 . 1 . . . . 9 ALA HB . 10259 1 47 . 1 1 9 9 ALA HB2 H 1 1.327 0.030 . 1 . . . . 9 ALA HB . 10259 1 48 . 1 1 9 9 ALA HB3 H 1 1.327 0.030 . 1 . . . . 9 ALA HB . 10259 1 49 . 1 1 9 9 ALA C C 13 177.635 0.300 . 1 . . . . 9 ALA C . 10259 1 50 . 1 1 9 9 ALA CA C 13 52.531 0.300 . 1 . . . . 9 ALA CA . 10259 1 51 . 1 1 9 9 ALA CB C 13 19.136 0.300 . 1 . . . . 9 ALA CB . 10259 1 52 . 1 1 9 9 ALA N N 15 125.301 0.300 . 1 . . . . 9 ALA N . 10259 1 53 . 1 1 10 10 SER H H 1 8.259 0.030 . 1 . . . . 10 SER H . 10259 1 54 . 1 1 10 10 SER HA H 1 4.440 0.030 . 1 . . . . 10 SER HA . 10259 1 55 . 1 1 10 10 SER HB2 H 1 3.860 0.030 . 1 . . . . 10 SER HB2 . 10259 1 56 . 1 1 10 10 SER HB3 H 1 3.860 0.030 . 1 . . . . 10 SER HB3 . 10259 1 57 . 1 1 10 10 SER C C 13 175.138 0.300 . 1 . . . . 10 SER C . 10259 1 58 . 1 1 10 10 SER CA C 13 58.649 0.300 . 1 . . . . 10 SER CA . 10259 1 59 . 1 1 10 10 SER CB C 13 63.888 0.300 . 1 . . . . 10 SER CB . 10259 1 60 . 1 1 10 10 SER N N 15 114.874 0.300 . 1 . . . . 10 SER N . 10259 1 61 . 1 1 11 11 GLY H H 1 8.493 0.030 . 1 . . . . 11 GLY H . 10259 1 62 . 1 1 11 11 GLY HA2 H 1 4.039 0.030 . 1 . . . . 11 GLY HA2 . 10259 1 63 . 1 1 11 11 GLY HA3 H 1 4.039 0.030 . 1 . . . . 11 GLY HA3 . 10259 1 64 . 1 1 11 11 GLY C C 13 173.678 0.300 . 1 . . . . 11 GLY C . 10259 1 65 . 1 1 11 11 GLY CA C 13 45.531 0.300 . 1 . . . . 11 GLY CA . 10259 1 66 . 1 1 11 11 GLY N N 15 110.301 0.300 . 1 . . . . 11 GLY N . 10259 1 67 . 1 1 12 12 HIS H H 1 7.970 0.030 . 1 . . . . 12 HIS H . 10259 1 68 . 1 1 12 12 HIS HA H 1 5.442 0.030 . 1 . . . . 12 HIS HA . 10259 1 69 . 1 1 12 12 HIS HB2 H 1 2.979 0.030 . 2 . . . . 12 HIS HB2 . 10259 1 70 . 1 1 12 12 HIS HB3 H 1 2.911 0.030 . 2 . . . . 12 HIS HB3 . 10259 1 71 . 1 1 12 12 HIS HD2 H 1 6.702 0.030 . 1 . . . . 12 HIS HD2 . 10259 1 72 . 1 1 12 12 HIS HE1 H 1 7.577 0.030 . 1 . . . . 12 HIS HE1 . 10259 1 73 . 1 1 12 12 HIS C C 13 175.304 0.300 . 1 . . . . 12 HIS C . 10259 1 74 . 1 1 12 12 HIS CA C 13 55.095 0.300 . 1 . . . . 12 HIS CA . 10259 1 75 . 1 1 12 12 HIS CB C 13 31.849 0.300 . 1 . . . . 12 HIS CB . 10259 1 76 . 1 1 12 12 HIS CD2 C 13 120.227 0.300 . 1 . . . . 12 HIS CD2 . 10259 1 77 . 1 1 12 12 HIS CE1 C 13 138.588 0.300 . 1 . . . . 12 HIS CE1 . 10259 1 78 . 1 1 12 12 HIS N N 15 119.432 0.300 . 1 . . . . 12 HIS N . 10259 1 79 . 1 1 13 13 PHE H H 1 8.940 0.030 . 1 . . . . 13 PHE H . 10259 1 80 . 1 1 13 13 PHE HA H 1 5.072 0.030 . 1 . . . . 13 PHE HA . 10259 1 81 . 1 1 13 13 PHE HB2 H 1 3.185 0.030 . 2 . . . . 13 PHE HB2 . 10259 1 82 . 1 1 13 13 PHE HB3 H 1 3.079 0.030 . 2 . . . . 13 PHE HB3 . 10259 1 83 . 1 1 13 13 PHE HD1 H 1 7.021 0.030 . 1 . . . . 13 PHE HD1 . 10259 1 84 . 1 1 13 13 PHE HD2 H 1 7.021 0.030 . 1 . . . . 13 PHE HD2 . 10259 1 85 . 1 1 13 13 PHE HE1 H 1 7.078 0.030 . 1 . . . . 13 PHE HE1 . 10259 1 86 . 1 1 13 13 PHE HE2 H 1 7.078 0.030 . 1 . . . . 13 PHE HE2 . 10259 1 87 . 1 1 13 13 PHE HZ H 1 7.343 0.030 . 1 . . . . 13 PHE HZ . 10259 1 88 . 1 1 13 13 PHE C C 13 172.688 0.300 . 1 . . . . 13 PHE C . 10259 1 89 . 1 1 13 13 PHE CA C 13 56.269 0.300 . 1 . . . . 13 PHE CA . 10259 1 90 . 1 1 13 13 PHE CB C 13 40.835 0.300 . 1 . . . . 13 PHE CB . 10259 1 91 . 1 1 13 13 PHE CD1 C 13 132.782 0.300 . 1 . . . . 13 PHE CD1 . 10259 1 92 . 1 1 13 13 PHE CD2 C 13 132.782 0.300 . 1 . . . . 13 PHE CD2 . 10259 1 93 . 1 1 13 13 PHE CE1 C 13 130.601 0.300 . 1 . . . . 13 PHE CE1 . 10259 1 94 . 1 1 13 13 PHE CE2 C 13 130.601 0.300 . 1 . . . . 13 PHE CE2 . 10259 1 95 . 1 1 13 13 PHE CZ C 13 130.633 0.300 . 1 . . . . 13 PHE CZ . 10259 1 96 . 1 1 13 13 PHE N N 15 118.413 0.300 . 1 . . . . 13 PHE N . 10259 1 97 . 1 1 14 14 SER H H 1 8.709 0.030 . 1 . . . . 14 SER H . 10259 1 98 . 1 1 14 14 SER HA H 1 5.580 0.030 . 1 . . . . 14 SER HA . 10259 1 99 . 1 1 14 14 SER HB2 H 1 3.785 0.030 . 1 . . . . 14 SER HB2 . 10259 1 100 . 1 1 14 14 SER HB3 H 1 3.785 0.030 . 1 . . . . 14 SER HB3 . 10259 1 101 . 1 1 14 14 SER C C 13 174.119 0.300 . 1 . . . . 14 SER C . 10259 1 102 . 1 1 14 14 SER CA C 13 56.974 0.300 . 1 . . . . 14 SER CA . 10259 1 103 . 1 1 14 14 SER CB C 13 65.778 0.300 . 1 . . . . 14 SER CB . 10259 1 104 . 1 1 14 14 SER N N 15 115.082 0.300 . 1 . . . . 14 SER N . 10259 1 105 . 1 1 15 15 VAL H H 1 8.801 0.030 . 1 . . . . 15 VAL H . 10259 1 106 . 1 1 15 15 VAL HA H 1 4.373 0.030 . 1 . . . . 15 VAL HA . 10259 1 107 . 1 1 15 15 VAL HB H 1 1.800 0.030 . 1 . . . . 15 VAL HB . 10259 1 108 . 1 1 15 15 VAL HG11 H 1 0.928 0.030 . 1 . . . . 15 VAL HG1 . 10259 1 109 . 1 1 15 15 VAL HG12 H 1 0.928 0.030 . 1 . . . . 15 VAL HG1 . 10259 1 110 . 1 1 15 15 VAL HG13 H 1 0.928 0.030 . 1 . . . . 15 VAL HG1 . 10259 1 111 . 1 1 15 15 VAL HG21 H 1 0.940 0.030 . 1 . . . . 15 VAL HG2 . 10259 1 112 . 1 1 15 15 VAL HG22 H 1 0.940 0.030 . 1 . . . . 15 VAL HG2 . 10259 1 113 . 1 1 15 15 VAL HG23 H 1 0.940 0.030 . 1 . . . . 15 VAL HG2 . 10259 1 114 . 1 1 15 15 VAL C C 13 173.002 0.300 . 1 . . . . 15 VAL C . 10259 1 115 . 1 1 15 15 VAL CA C 13 61.312 0.300 . 1 . . . . 15 VAL CA . 10259 1 116 . 1 1 15 15 VAL CB C 13 36.461 0.300 . 1 . . . . 15 VAL CB . 10259 1 117 . 1 1 15 15 VAL CG1 C 13 21.922 0.300 . 2 . . . . 15 VAL CG1 . 10259 1 118 . 1 1 15 15 VAL CG2 C 13 22.075 0.300 . 2 . . . . 15 VAL CG2 . 10259 1 119 . 1 1 15 15 VAL N N 15 121.148 0.300 . 1 . . . . 15 VAL N . 10259 1 120 . 1 1 16 16 GLU H H 1 8.383 0.030 . 1 . . . . 16 GLU H . 10259 1 121 . 1 1 16 16 GLU HA H 1 5.299 0.030 . 1 . . . . 16 GLU HA . 10259 1 122 . 1 1 16 16 GLU HB2 H 1 1.989 0.030 . 2 . . . . 16 GLU HB2 . 10259 1 123 . 1 1 16 16 GLU HB3 H 1 1.888 0.030 . 2 . . . . 16 GLU HB3 . 10259 1 124 . 1 1 16 16 GLU HG2 H 1 1.996 0.030 . 1 . . . . 16 GLU HG2 . 10259 1 125 . 1 1 16 16 GLU HG3 H 1 1.996 0.030 . 1 . . . . 16 GLU HG3 . 10259 1 126 . 1 1 16 16 GLU C C 13 175.408 0.300 . 1 . . . . 16 GLU C . 10259 1 127 . 1 1 16 16 GLU CA C 13 54.594 0.300 . 1 . . . . 16 GLU CA . 10259 1 128 . 1 1 16 16 GLU CB C 13 31.993 0.300 . 1 . . . . 16 GLU CB . 10259 1 129 . 1 1 16 16 GLU CG C 13 36.755 0.300 . 1 . . . . 16 GLU CG . 10259 1 130 . 1 1 16 16 GLU N N 15 125.925 0.300 . 1 . . . . 16 GLU N . 10259 1 131 . 1 1 17 17 LEU H H 1 9.172 0.030 . 1 . . . . 17 LEU H . 10259 1 132 . 1 1 17 17 LEU HA H 1 5.000 0.030 . 1 . . . . 17 LEU HA . 10259 1 133 . 1 1 17 17 LEU HB2 H 1 1.757 0.030 . 2 . . . . 17 LEU HB2 . 10259 1 134 . 1 1 17 17 LEU HB3 H 1 1.443 0.030 . 2 . . . . 17 LEU HB3 . 10259 1 135 . 1 1 17 17 LEU HD11 H 1 0.784 0.030 . 1 . . . . 17 LEU HD1 . 10259 1 136 . 1 1 17 17 LEU HD12 H 1 0.784 0.030 . 1 . . . . 17 LEU HD1 . 10259 1 137 . 1 1 17 17 LEU HD13 H 1 0.784 0.030 . 1 . . . . 17 LEU HD1 . 10259 1 138 . 1 1 17 17 LEU HD21 H 1 0.972 0.030 . 1 . . . . 17 LEU HD2 . 10259 1 139 . 1 1 17 17 LEU HD22 H 1 0.972 0.030 . 1 . . . . 17 LEU HD2 . 10259 1 140 . 1 1 17 17 LEU HD23 H 1 0.972 0.030 . 1 . . . . 17 LEU HD2 . 10259 1 141 . 1 1 17 17 LEU HG H 1 1.494 0.030 . 1 . . . . 17 LEU HG . 10259 1 142 . 1 1 17 17 LEU C C 13 175.596 0.300 . 1 . . . . 17 LEU C . 10259 1 143 . 1 1 17 17 LEU CA C 13 52.919 0.300 . 1 . . . . 17 LEU CA . 10259 1 144 . 1 1 17 17 LEU CB C 13 47.317 0.300 . 1 . . . . 17 LEU CB . 10259 1 145 . 1 1 17 17 LEU CD1 C 13 26.197 0.300 . 2 . . . . 17 LEU CD1 . 10259 1 146 . 1 1 17 17 LEU CD2 C 13 23.903 0.300 . 2 . . . . 17 LEU CD2 . 10259 1 147 . 1 1 17 17 LEU CG C 13 26.996 0.300 . 1 . . . . 17 LEU CG . 10259 1 148 . 1 1 17 17 LEU N N 15 122.761 0.300 . 1 . . . . 17 LEU N . 10259 1 149 . 1 1 18 18 VAL H H 1 8.546 0.030 . 1 . . . . 18 VAL H . 10259 1 150 . 1 1 18 18 VAL HA H 1 4.831 0.030 . 1 . . . . 18 VAL HA . 10259 1 151 . 1 1 18 18 VAL HB H 1 1.937 0.030 . 1 . . . . 18 VAL HB . 10259 1 152 . 1 1 18 18 VAL HG11 H 1 1.003 0.030 . 1 . . . . 18 VAL HG1 . 10259 1 153 . 1 1 18 18 VAL HG12 H 1 1.003 0.030 . 1 . . . . 18 VAL HG1 . 10259 1 154 . 1 1 18 18 VAL HG13 H 1 1.003 0.030 . 1 . . . . 18 VAL HG1 . 10259 1 155 . 1 1 18 18 VAL HG21 H 1 1.004 0.030 . 1 . . . . 18 VAL HG2 . 10259 1 156 . 1 1 18 18 VAL HG22 H 1 1.004 0.030 . 1 . . . . 18 VAL HG2 . 10259 1 157 . 1 1 18 18 VAL HG23 H 1 1.004 0.030 . 1 . . . . 18 VAL HG2 . 10259 1 158 . 1 1 18 18 VAL C C 13 175.783 0.300 . 1 . . . . 18 VAL C . 10259 1 159 . 1 1 18 18 VAL CA C 13 61.277 0.300 . 1 . . . . 18 VAL CA . 10259 1 160 . 1 1 18 18 VAL CB C 13 33.600 0.300 . 1 . . . . 18 VAL CB . 10259 1 161 . 1 1 18 18 VAL CG1 C 13 21.424 0.300 . 2 . . . . 18 VAL CG1 . 10259 1 162 . 1 1 18 18 VAL CG2 C 13 21.278 0.300 . 2 . . . . 18 VAL CG2 . 10259 1 163 . 1 1 18 18 VAL N N 15 122.523 0.300 . 1 . . . . 18 VAL N . 10259 1 164 . 1 1 19 19 ARG H H 1 8.495 0.030 . 1 . . . . 19 ARG H . 10259 1 165 . 1 1 19 19 ARG HA H 1 2.868 0.030 . 1 . . . . 19 ARG HA . 10259 1 166 . 1 1 19 19 ARG HB2 H 1 1.185 0.030 . 1 . . . . 19 ARG HB2 . 10259 1 167 . 1 1 19 19 ARG HB3 H 1 1.185 0.030 . 1 . . . . 19 ARG HB3 . 10259 1 168 . 1 1 19 19 ARG HD2 H 1 2.879 0.030 . 1 . . . . 19 ARG HD2 . 10259 1 169 . 1 1 19 19 ARG HD3 H 1 2.879 0.030 . 1 . . . . 19 ARG HD3 . 10259 1 170 . 1 1 19 19 ARG HG2 H 1 1.540 0.030 . 2 . . . . 19 ARG HG2 . 10259 1 171 . 1 1 19 19 ARG HG3 H 1 0.343 0.030 . 2 . . . . 19 ARG HG3 . 10259 1 172 . 1 1 19 19 ARG C C 13 176.248 0.300 . 1 . . . . 19 ARG C . 10259 1 173 . 1 1 19 19 ARG CA C 13 58.138 0.300 . 1 . . . . 19 ARG CA . 10259 1 174 . 1 1 19 19 ARG CB C 13 30.839 0.300 . 1 . . . . 19 ARG CB . 10259 1 175 . 1 1 19 19 ARG CD C 13 43.332 0.300 . 1 . . . . 19 ARG CD . 10259 1 176 . 1 1 19 19 ARG CG C 13 26.883 0.300 . 1 . . . . 19 ARG CG . 10259 1 177 . 1 1 19 19 ARG N N 15 127.015 0.300 . 1 . . . . 19 ARG N . 10259 1 178 . 1 1 20 20 GLY H H 1 7.244 0.030 . 1 . . . . 20 GLY H . 10259 1 179 . 1 1 20 20 GLY HA2 H 1 4.504 0.030 . 2 . . . . 20 GLY HA2 . 10259 1 180 . 1 1 20 20 GLY HA3 H 1 3.750 0.030 . 2 . . . . 20 GLY HA3 . 10259 1 181 . 1 1 20 20 GLY C C 13 175.286 0.300 . 1 . . . . 20 GLY C . 10259 1 182 . 1 1 20 20 GLY CA C 13 44.131 0.300 . 1 . . . . 20 GLY CA . 10259 1 183 . 1 1 20 20 GLY N N 15 112.266 0.300 . 1 . . . . 20 GLY N . 10259 1 184 . 1 1 21 21 TYR HA H 1 4.219 0.030 . 1 . . . . 21 TYR HA . 10259 1 185 . 1 1 21 21 TYR HB2 H 1 3.095 0.030 . 2 . . . . 21 TYR HB2 . 10259 1 186 . 1 1 21 21 TYR HB3 H 1 3.001 0.030 . 2 . . . . 21 TYR HB3 . 10259 1 187 . 1 1 21 21 TYR HD1 H 1 7.132 0.030 . 1 . . . . 21 TYR HD1 . 10259 1 188 . 1 1 21 21 TYR HD2 H 1 7.132 0.030 . 1 . . . . 21 TYR HD2 . 10259 1 189 . 1 1 21 21 TYR HE1 H 1 6.855 0.030 . 1 . . . . 21 TYR HE1 . 10259 1 190 . 1 1 21 21 TYR HE2 H 1 6.855 0.030 . 1 . . . . 21 TYR HE2 . 10259 1 191 . 1 1 21 21 TYR C C 13 176.309 0.300 . 1 . . . . 21 TYR C . 10259 1 192 . 1 1 21 21 TYR CA C 13 60.518 0.300 . 1 . . . . 21 TYR CA . 10259 1 193 . 1 1 21 21 TYR CB C 13 37.826 0.300 . 1 . . . . 21 TYR CB . 10259 1 194 . 1 1 21 21 TYR CD1 C 13 133.265 0.300 . 1 . . . . 21 TYR CD1 . 10259 1 195 . 1 1 21 21 TYR CD2 C 13 133.265 0.300 . 1 . . . . 21 TYR CD2 . 10259 1 196 . 1 1 21 21 TYR CE1 C 13 118.311 0.300 . 1 . . . . 21 TYR CE1 . 10259 1 197 . 1 1 21 21 TYR CE2 C 13 118.311 0.300 . 1 . . . . 21 TYR CE2 . 10259 1 198 . 1 1 22 22 ALA H H 1 8.272 0.030 . 1 . . . . 22 ALA H . 10259 1 199 . 1 1 22 22 ALA HA H 1 4.404 0.030 . 1 . . . . 22 ALA HA . 10259 1 200 . 1 1 22 22 ALA HB1 H 1 1.157 0.030 . 1 . . . . 22 ALA HB . 10259 1 201 . 1 1 22 22 ALA HB2 H 1 1.157 0.030 . 1 . . . . 22 ALA HB . 10259 1 202 . 1 1 22 22 ALA HB3 H 1 1.157 0.030 . 1 . . . . 22 ALA HB . 10259 1 203 . 1 1 22 22 ALA C C 13 177.312 0.300 . 1 . . . . 22 ALA C . 10259 1 204 . 1 1 22 22 ALA CA C 13 50.816 0.300 . 1 . . . . 22 ALA CA . 10259 1 205 . 1 1 22 22 ALA CB C 13 18.455 0.300 . 1 . . . . 22 ALA CB . 10259 1 206 . 1 1 22 22 ALA N N 15 121.539 0.300 . 1 . . . . 22 ALA N . 10259 1 207 . 1 1 23 23 GLY H H 1 7.495 0.030 . 1 . . . . 23 GLY H . 10259 1 208 . 1 1 23 23 GLY HA2 H 1 4.541 0.030 . 2 . . . . 23 GLY HA2 . 10259 1 209 . 1 1 23 23 GLY HA3 H 1 3.238 0.030 . 2 . . . . 23 GLY HA3 . 10259 1 210 . 1 1 23 23 GLY C C 13 175.043 0.300 . 1 . . . . 23 GLY C . 10259 1 211 . 1 1 23 23 GLY CA C 13 44.897 0.300 . 1 . . . . 23 GLY CA . 10259 1 212 . 1 1 23 23 GLY N N 15 106.744 0.300 . 1 . . . . 23 GLY N . 10259 1 213 . 1 1 24 24 PHE H H 1 7.242 0.030 . 1 . . . . 24 PHE H . 10259 1 214 . 1 1 24 24 PHE HA H 1 4.369 0.030 . 1 . . . . 24 PHE HA . 10259 1 215 . 1 1 24 24 PHE HB2 H 1 3.062 0.030 . 2 . . . . 24 PHE HB2 . 10259 1 216 . 1 1 24 24 PHE HB3 H 1 2.902 0.030 . 2 . . . . 24 PHE HB3 . 10259 1 217 . 1 1 24 24 PHE HD1 H 1 7.041 0.030 . 1 . . . . 24 PHE HD1 . 10259 1 218 . 1 1 24 24 PHE HD2 H 1 7.041 0.030 . 1 . . . . 24 PHE HD2 . 10259 1 219 . 1 1 24 24 PHE HE1 H 1 7.252 0.030 . 1 . . . . 24 PHE HE1 . 10259 1 220 . 1 1 24 24 PHE HE2 H 1 7.252 0.030 . 1 . . . . 24 PHE HE2 . 10259 1 221 . 1 1 24 24 PHE HZ H 1 7.281 0.030 . 1 . . . . 24 PHE HZ . 10259 1 222 . 1 1 24 24 PHE C C 13 175.902 0.300 . 1 . . . . 24 PHE C . 10259 1 223 . 1 1 24 24 PHE CA C 13 60.347 0.300 . 1 . . . . 24 PHE CA . 10259 1 224 . 1 1 24 24 PHE CB C 13 39.575 0.300 . 1 . . . . 24 PHE CB . 10259 1 225 . 1 1 24 24 PHE CD1 C 13 130.966 0.300 . 1 . . . . 24 PHE CD1 . 10259 1 226 . 1 1 24 24 PHE CD2 C 13 130.966 0.300 . 1 . . . . 24 PHE CD2 . 10259 1 227 . 1 1 24 24 PHE CE1 C 13 130.598 0.300 . 1 . . . . 24 PHE CE1 . 10259 1 228 . 1 1 24 24 PHE CE2 C 13 130.598 0.300 . 1 . . . . 24 PHE CE2 . 10259 1 229 . 1 1 24 24 PHE CZ C 13 132.641 0.300 . 1 . . . . 24 PHE CZ . 10259 1 230 . 1 1 25 25 GLY H H 1 8.820 0.030 . 1 . . . . 25 GLY H . 10259 1 231 . 1 1 25 25 GLY HA2 H 1 4.134 0.030 . 2 . . . . 25 GLY HA2 . 10259 1 232 . 1 1 25 25 GLY HA3 H 1 3.913 0.030 . 2 . . . . 25 GLY HA3 . 10259 1 233 . 1 1 25 25 GLY C C 13 174.585 0.300 . 1 . . . . 25 GLY C . 10259 1 234 . 1 1 25 25 GLY CA C 13 47.030 0.300 . 1 . . . . 25 GLY CA . 10259 1 235 . 1 1 25 25 GLY N N 15 107.899 0.300 . 1 . . . . 25 GLY N . 10259 1 236 . 1 1 26 26 LEU H H 1 7.991 0.030 . 1 . . . . 26 LEU H . 10259 1 237 . 1 1 26 26 LEU HA H 1 4.990 0.030 . 1 . . . . 26 LEU HA . 10259 1 238 . 1 1 26 26 LEU HB2 H 1 1.531 0.030 . 2 . . . . 26 LEU HB2 . 10259 1 239 . 1 1 26 26 LEU HB3 H 1 1.264 0.030 . 2 . . . . 26 LEU HB3 . 10259 1 240 . 1 1 26 26 LEU HD11 H 1 0.728 0.030 . 1 . . . . 26 LEU HD1 . 10259 1 241 . 1 1 26 26 LEU HD12 H 1 0.728 0.030 . 1 . . . . 26 LEU HD1 . 10259 1 242 . 1 1 26 26 LEU HD13 H 1 0.728 0.030 . 1 . . . . 26 LEU HD1 . 10259 1 243 . 1 1 26 26 LEU HD21 H 1 0.615 0.030 . 1 . . . . 26 LEU HD2 . 10259 1 244 . 1 1 26 26 LEU HD22 H 1 0.615 0.030 . 1 . . . . 26 LEU HD2 . 10259 1 245 . 1 1 26 26 LEU HD23 H 1 0.615 0.030 . 1 . . . . 26 LEU HD2 . 10259 1 246 . 1 1 26 26 LEU HG H 1 1.342 0.030 . 1 . . . . 26 LEU HG . 10259 1 247 . 1 1 26 26 LEU C C 13 174.135 0.300 . 1 . . . . 26 LEU C . 10259 1 248 . 1 1 26 26 LEU CA C 13 53.906 0.300 . 1 . . . . 26 LEU CA . 10259 1 249 . 1 1 26 26 LEU CB C 13 45.939 0.300 . 1 . . . . 26 LEU CB . 10259 1 250 . 1 1 26 26 LEU CD1 C 13 25.812 0.300 . 2 . . . . 26 LEU CD1 . 10259 1 251 . 1 1 26 26 LEU CD2 C 13 25.812 0.300 . 2 . . . . 26 LEU CD2 . 10259 1 252 . 1 1 26 26 LEU CG C 13 26.801 0.300 . 1 . . . . 26 LEU CG . 10259 1 253 . 1 1 26 26 LEU N N 15 122.133 0.300 . 1 . . . . 26 LEU N . 10259 1 254 . 1 1 27 27 THR H H 1 8.657 0.030 . 1 . . . . 27 THR H . 10259 1 255 . 1 1 27 27 THR HA H 1 4.662 0.030 . 1 . . . . 27 THR HA . 10259 1 256 . 1 1 27 27 THR HB H 1 3.786 0.030 . 1 . . . . 27 THR HB . 10259 1 257 . 1 1 27 27 THR HG21 H 1 1.221 0.030 . 1 . . . . 27 THR HG2 . 10259 1 258 . 1 1 27 27 THR HG22 H 1 1.221 0.030 . 1 . . . . 27 THR HG2 . 10259 1 259 . 1 1 27 27 THR HG23 H 1 1.221 0.030 . 1 . . . . 27 THR HG2 . 10259 1 260 . 1 1 27 27 THR C C 13 174.074 0.300 . 1 . . . . 27 THR C . 10259 1 261 . 1 1 27 27 THR CA C 13 61.382 0.300 . 1 . . . . 27 THR CA . 10259 1 262 . 1 1 27 27 THR CB C 13 70.010 0.300 . 1 . . . . 27 THR CB . 10259 1 263 . 1 1 27 27 THR CG2 C 13 22.186 0.300 . 1 . . . . 27 THR CG2 . 10259 1 264 . 1 1 27 27 THR N N 15 121.262 0.300 . 1 . . . . 27 THR N . 10259 1 265 . 1 1 28 28 LEU H H 1 9.692 0.030 . 1 . . . . 28 LEU H . 10259 1 266 . 1 1 28 28 LEU HA H 1 5.297 0.030 . 1 . . . . 28 LEU HA . 10259 1 267 . 1 1 28 28 LEU HB2 H 1 1.770 0.030 . 2 . . . . 28 LEU HB2 . 10259 1 268 . 1 1 28 28 LEU HB3 H 1 1.410 0.030 . 2 . . . . 28 LEU HB3 . 10259 1 269 . 1 1 28 28 LEU HD11 H 1 0.730 0.030 . 1 . . . . 28 LEU HD1 . 10259 1 270 . 1 1 28 28 LEU HD12 H 1 0.730 0.030 . 1 . . . . 28 LEU HD1 . 10259 1 271 . 1 1 28 28 LEU HD13 H 1 0.730 0.030 . 1 . . . . 28 LEU HD1 . 10259 1 272 . 1 1 28 28 LEU HD21 H 1 0.701 0.030 . 1 . . . . 28 LEU HD2 . 10259 1 273 . 1 1 28 28 LEU HD22 H 1 0.701 0.030 . 1 . . . . 28 LEU HD2 . 10259 1 274 . 1 1 28 28 LEU HD23 H 1 0.701 0.030 . 1 . . . . 28 LEU HD2 . 10259 1 275 . 1 1 28 28 LEU HG H 1 1.584 0.030 . 1 . . . . 28 LEU HG . 10259 1 276 . 1 1 28 28 LEU C C 13 175.414 0.300 . 1 . . . . 28 LEU C . 10259 1 277 . 1 1 28 28 LEU CA C 13 53.219 0.300 . 1 . . . . 28 LEU CA . 10259 1 278 . 1 1 28 28 LEU CB C 13 45.049 0.300 . 1 . . . . 28 LEU CB . 10259 1 279 . 1 1 28 28 LEU CD1 C 13 26.059 0.300 . 2 . . . . 28 LEU CD1 . 10259 1 280 . 1 1 28 28 LEU CD2 C 13 24.000 0.300 . 2 . . . . 28 LEU CD2 . 10259 1 281 . 1 1 28 28 LEU CG C 13 27.101 0.300 . 1 . . . . 28 LEU CG . 10259 1 282 . 1 1 28 28 LEU N N 15 128.374 0.300 . 1 . . . . 28 LEU N . 10259 1 283 . 1 1 29 29 GLY H H 1 8.818 0.030 . 1 . . . . 29 GLY H . 10259 1 284 . 1 1 29 29 GLY HA2 H 1 4.089 0.030 . 2 . . . . 29 GLY HA2 . 10259 1 285 . 1 1 29 29 GLY HA3 H 1 3.664 0.030 . 2 . . . . 29 GLY HA3 . 10259 1 286 . 1 1 29 29 GLY C C 13 171.700 0.300 . 1 . . . . 29 GLY C . 10259 1 287 . 1 1 29 29 GLY CA C 13 44.086 0.300 . 1 . . . . 29 GLY CA . 10259 1 288 . 1 1 29 29 GLY N N 15 106.574 0.300 . 1 . . . . 29 GLY N . 10259 1 289 . 1 1 30 30 GLY H H 1 8.339 0.030 . 1 . . . . 30 GLY H . 10259 1 290 . 1 1 30 30 GLY HA2 H 1 4.434 0.030 . 2 . . . . 30 GLY HA2 . 10259 1 291 . 1 1 30 30 GLY HA3 H 1 3.554 0.030 . 2 . . . . 30 GLY HA3 . 10259 1 292 . 1 1 30 30 GLY C C 13 174.290 0.300 . 1 . . . . 30 GLY C . 10259 1 293 . 1 1 30 30 GLY CA C 13 44.879 0.300 . 1 . . . . 30 GLY CA . 10259 1 294 . 1 1 30 30 GLY N N 15 107.245 0.300 . 1 . . . . 30 GLY N . 10259 1 295 . 1 1 31 31 GLY H H 1 7.292 0.030 . 1 . . . . 31 GLY H . 10259 1 296 . 1 1 31 31 GLY HA2 H 1 4.439 0.030 . 2 . . . . 31 GLY HA2 . 10259 1 297 . 1 1 31 31 GLY HA3 H 1 4.000 0.030 . 2 . . . . 31 GLY HA3 . 10259 1 298 . 1 1 31 31 GLY C C 13 174.513 0.300 . 1 . . . . 31 GLY C . 10259 1 299 . 1 1 31 31 GLY CA C 13 43.589 0.300 . 1 . . . . 31 GLY CA . 10259 1 300 . 1 1 31 31 GLY N N 15 107.984 0.300 . 1 . . . . 31 GLY N . 10259 1 301 . 1 1 32 32 ARG H H 1 8.065 0.030 . 1 . . . . 32 ARG H . 10259 1 302 . 1 1 32 32 ARG HA H 1 4.380 0.030 . 1 . . . . 32 ARG HA . 10259 1 303 . 1 1 32 32 ARG HB2 H 1 1.493 0.030 . 2 . . . . 32 ARG HB2 . 10259 1 304 . 1 1 32 32 ARG HB3 H 1 1.399 0.030 . 2 . . . . 32 ARG HB3 . 10259 1 305 . 1 1 32 32 ARG HD2 H 1 3.231 0.030 . 2 . . . . 32 ARG HD2 . 10259 1 306 . 1 1 32 32 ARG HD3 H 1 3.144 0.030 . 2 . . . . 32 ARG HD3 . 10259 1 307 . 1 1 32 32 ARG HG2 H 1 1.605 0.030 . 2 . . . . 32 ARG HG2 . 10259 1 308 . 1 1 32 32 ARG HG3 H 1 1.499 0.030 . 2 . . . . 32 ARG HG3 . 10259 1 309 . 1 1 32 32 ARG C C 13 176.139 0.300 . 1 . . . . 32 ARG C . 10259 1 310 . 1 1 32 32 ARG CA C 13 57.354 0.300 . 1 . . . . 32 ARG CA . 10259 1 311 . 1 1 32 32 ARG CB C 13 30.080 0.300 . 1 . . . . 32 ARG CB . 10259 1 312 . 1 1 32 32 ARG CD C 13 43.700 0.300 . 1 . . . . 32 ARG CD . 10259 1 313 . 1 1 32 32 ARG CG C 13 26.636 0.300 . 1 . . . . 32 ARG CG . 10259 1 314 . 1 1 32 32 ARG N N 15 121.733 0.300 . 1 . . . . 32 ARG N . 10259 1 315 . 1 1 33 33 ASP H H 1 8.916 0.030 . 1 . . . . 33 ASP H . 10259 1 316 . 1 1 33 33 ASP HA H 1 4.799 0.030 . 1 . . . . 33 ASP HA . 10259 1 317 . 1 1 33 33 ASP HB2 H 1 2.787 0.030 . 1 . . . . 33 ASP HB2 . 10259 1 318 . 1 1 33 33 ASP HB3 H 1 2.787 0.030 . 1 . . . . 33 ASP HB3 . 10259 1 319 . 1 1 33 33 ASP C C 13 176.381 0.300 . 1 . . . . 33 ASP C . 10259 1 320 . 1 1 33 33 ASP CA C 13 53.783 0.300 . 1 . . . . 33 ASP CA . 10259 1 321 . 1 1 33 33 ASP CB C 13 43.712 0.300 . 1 . . . . 33 ASP CB . 10259 1 322 . 1 1 33 33 ASP N N 15 126.313 0.300 . 1 . . . . 33 ASP N . 10259 1 323 . 1 1 34 34 VAL H H 1 8.372 0.030 . 1 . . . . 34 VAL H . 10259 1 324 . 1 1 34 34 VAL HA H 1 3.943 0.030 . 1 . . . . 34 VAL HA . 10259 1 325 . 1 1 34 34 VAL HB H 1 2.168 0.030 . 1 . . . . 34 VAL HB . 10259 1 326 . 1 1 34 34 VAL HG11 H 1 1.013 0.030 . 1 . . . . 34 VAL HG1 . 10259 1 327 . 1 1 34 34 VAL HG12 H 1 1.013 0.030 . 1 . . . . 34 VAL HG1 . 10259 1 328 . 1 1 34 34 VAL HG13 H 1 1.013 0.030 . 1 . . . . 34 VAL HG1 . 10259 1 329 . 1 1 34 34 VAL C C 13 176.591 0.300 . 1 . . . . 34 VAL C . 10259 1 330 . 1 1 34 34 VAL CA C 13 64.644 0.300 . 1 . . . . 34 VAL CA . 10259 1 331 . 1 1 34 34 VAL CB C 13 31.796 0.300 . 1 . . . . 34 VAL CB . 10259 1 332 . 1 1 34 34 VAL CG1 C 13 20.754 0.300 . 2 . . . . 34 VAL CG1 . 10259 1 333 . 1 1 34 34 VAL N N 15 121.465 0.300 . 1 . . . . 34 VAL N . 10259 1 334 . 1 1 35 35 ALA H H 1 8.577 0.030 . 1 . . . . 35 ALA H . 10259 1 335 . 1 1 35 35 ALA HA H 1 4.386 0.030 . 1 . . . . 35 ALA HA . 10259 1 336 . 1 1 35 35 ALA HB1 H 1 1.416 0.030 . 1 . . . . 35 ALA HB . 10259 1 337 . 1 1 35 35 ALA HB2 H 1 1.416 0.030 . 1 . . . . 35 ALA HB . 10259 1 338 . 1 1 35 35 ALA HB3 H 1 1.416 0.030 . 1 . . . . 35 ALA HB . 10259 1 339 . 1 1 35 35 ALA C C 13 177.532 0.300 . 1 . . . . 35 ALA C . 10259 1 340 . 1 1 35 35 ALA CA C 13 52.589 0.300 . 1 . . . . 35 ALA CA . 10259 1 341 . 1 1 35 35 ALA CB C 13 19.095 0.300 . 1 . . . . 35 ALA CB . 10259 1 342 . 1 1 35 35 ALA N N 15 123.222 0.300 . 1 . . . . 35 ALA N . 10259 1 343 . 1 1 36 36 GLY H H 1 7.816 0.030 . 1 . . . . 36 GLY H . 10259 1 344 . 1 1 36 36 GLY HA2 H 1 4.274 0.030 . 2 . . . . 36 GLY HA2 . 10259 1 345 . 1 1 36 36 GLY HA3 H 1 3.723 0.030 . 2 . . . . 36 GLY HA3 . 10259 1 346 . 1 1 36 36 GLY C C 13 172.610 0.300 . 1 . . . . 36 GLY C . 10259 1 347 . 1 1 36 36 GLY CA C 13 45.161 0.300 . 1 . . . . 36 GLY CA . 10259 1 348 . 1 1 36 36 GLY N N 15 107.925 0.300 . 1 . . . . 36 GLY N . 10259 1 349 . 1 1 37 37 ASP H H 1 8.604 0.030 . 1 . . . . 37 ASP H . 10259 1 350 . 1 1 37 37 ASP HA H 1 4.810 0.030 . 1 . . . . 37 ASP HA . 10259 1 351 . 1 1 37 37 ASP HB2 H 1 2.657 0.030 . 2 . . . . 37 ASP HB2 . 10259 1 352 . 1 1 37 37 ASP HB3 H 1 2.530 0.030 . 2 . . . . 37 ASP HB3 . 10259 1 353 . 1 1 37 37 ASP C C 13 176.081 0.300 . 1 . . . . 37 ASP C . 10259 1 354 . 1 1 37 37 ASP CA C 13 54.700 0.300 . 1 . . . . 37 ASP CA . 10259 1 355 . 1 1 37 37 ASP CB C 13 41.076 0.300 . 1 . . . . 37 ASP CB . 10259 1 356 . 1 1 37 37 ASP N N 15 124.969 0.300 . 1 . . . . 37 ASP N . 10259 1 357 . 1 1 38 38 THR H H 1 7.679 0.030 . 1 . . . . 38 THR H . 10259 1 358 . 1 1 38 38 THR HA H 1 4.704 0.030 . 1 . . . . 38 THR HA . 10259 1 359 . 1 1 38 38 THR HB H 1 4.208 0.030 . 1 . . . . 38 THR HB . 10259 1 360 . 1 1 38 38 THR HG21 H 1 1.232 0.030 . 1 . . . . 38 THR HG2 . 10259 1 361 . 1 1 38 38 THR HG22 H 1 1.232 0.030 . 1 . . . . 38 THR HG2 . 10259 1 362 . 1 1 38 38 THR HG23 H 1 1.232 0.030 . 1 . . . . 38 THR HG2 . 10259 1 363 . 1 1 38 38 THR C C 13 172.712 0.300 . 1 . . . . 38 THR C . 10259 1 364 . 1 1 38 38 THR CA C 13 59.810 0.300 . 1 . . . . 38 THR CA . 10259 1 365 . 1 1 38 38 THR CB C 13 70.420 0.300 . 1 . . . . 38 THR CB . 10259 1 366 . 1 1 38 38 THR CG2 C 13 22.115 0.300 . 1 . . . . 38 THR CG2 . 10259 1 367 . 1 1 38 38 THR N N 15 116.498 0.300 . 1 . . . . 38 THR N . 10259 1 368 . 1 1 39 39 PRO HA H 1 4.305 0.030 . 1 . . . . 39 PRO HA . 10259 1 369 . 1 1 39 39 PRO HB2 H 1 2.277 0.030 . 2 . . . . 39 PRO HB2 . 10259 1 370 . 1 1 39 39 PRO HB3 H 1 1.761 0.030 . 2 . . . . 39 PRO HB3 . 10259 1 371 . 1 1 39 39 PRO HD2 H 1 3.817 0.030 . 2 . . . . 39 PRO HD2 . 10259 1 372 . 1 1 39 39 PRO HD3 H 1 3.644 0.030 . 2 . . . . 39 PRO HD3 . 10259 1 373 . 1 1 39 39 PRO HG2 H 1 2.037 0.030 . 2 . . . . 39 PRO HG2 . 10259 1 374 . 1 1 39 39 PRO HG3 H 1 1.958 0.030 . 2 . . . . 39 PRO HG3 . 10259 1 375 . 1 1 39 39 PRO C C 13 176.355 0.300 . 1 . . . . 39 PRO C . 10259 1 376 . 1 1 39 39 PRO CA C 13 63.304 0.300 . 1 . . . . 39 PRO CA . 10259 1 377 . 1 1 39 39 PRO CB C 13 32.703 0.300 . 1 . . . . 39 PRO CB . 10259 1 378 . 1 1 39 39 PRO CD C 13 50.866 0.300 . 1 . . . . 39 PRO CD . 10259 1 379 . 1 1 39 39 PRO CG C 13 27.625 0.300 . 1 . . . . 39 PRO CG . 10259 1 380 . 1 1 40 40 LEU H H 1 8.247 0.030 . 1 . . . . 40 LEU H . 10259 1 381 . 1 1 40 40 LEU HA H 1 4.704 0.030 . 1 . . . . 40 LEU HA . 10259 1 382 . 1 1 40 40 LEU HB2 H 1 1.718 0.030 . 2 . . . . 40 LEU HB2 . 10259 1 383 . 1 1 40 40 LEU HB3 H 1 1.619 0.030 . 2 . . . . 40 LEU HB3 . 10259 1 384 . 1 1 40 40 LEU HD11 H 1 0.812 0.030 . 1 . . . . 40 LEU HD1 . 10259 1 385 . 1 1 40 40 LEU HD12 H 1 0.812 0.030 . 1 . . . . 40 LEU HD1 . 10259 1 386 . 1 1 40 40 LEU HD13 H 1 0.812 0.030 . 1 . . . . 40 LEU HD1 . 10259 1 387 . 1 1 40 40 LEU HD21 H 1 0.804 0.030 . 1 . . . . 40 LEU HD2 . 10259 1 388 . 1 1 40 40 LEU HD22 H 1 0.804 0.030 . 1 . . . . 40 LEU HD2 . 10259 1 389 . 1 1 40 40 LEU HD23 H 1 0.804 0.030 . 1 . . . . 40 LEU HD2 . 10259 1 390 . 1 1 40 40 LEU HG H 1 1.505 0.030 . 1 . . . . 40 LEU HG . 10259 1 391 . 1 1 40 40 LEU C C 13 176.631 0.300 . 1 . . . . 40 LEU C . 10259 1 392 . 1 1 40 40 LEU CA C 13 55.352 0.300 . 1 . . . . 40 LEU CA . 10259 1 393 . 1 1 40 40 LEU CB C 13 42.524 0.300 . 1 . . . . 40 LEU CB . 10259 1 394 . 1 1 40 40 LEU CD1 C 13 26.471 0.300 . 2 . . . . 40 LEU CD1 . 10259 1 395 . 1 1 40 40 LEU CD2 C 13 24.087 0.300 . 2 . . . . 40 LEU CD2 . 10259 1 396 . 1 1 40 40 LEU CG C 13 27.371 0.300 . 1 . . . . 40 LEU CG . 10259 1 397 . 1 1 40 40 LEU N N 15 125.558 0.300 . 1 . . . . 40 LEU N . 10259 1 398 . 1 1 41 41 ALA H H 1 8.856 0.030 . 1 . . . . 41 ALA H . 10259 1 399 . 1 1 41 41 ALA HA H 1 5.465 0.030 . 1 . . . . 41 ALA HA . 10259 1 400 . 1 1 41 41 ALA HB1 H 1 1.092 0.030 . 1 . . . . 41 ALA HB . 10259 1 401 . 1 1 41 41 ALA HB2 H 1 1.092 0.030 . 1 . . . . 41 ALA HB . 10259 1 402 . 1 1 41 41 ALA HB3 H 1 1.092 0.030 . 1 . . . . 41 ALA HB . 10259 1 403 . 1 1 41 41 ALA C C 13 176.658 0.300 . 1 . . . . 41 ALA C . 10259 1 404 . 1 1 41 41 ALA CA C 13 50.503 0.300 . 1 . . . . 41 ALA CA . 10259 1 405 . 1 1 41 41 ALA CB C 13 24.074 0.300 . 1 . . . . 41 ALA CB . 10259 1 406 . 1 1 41 41 ALA N N 15 128.426 0.300 . 1 . . . . 41 ALA N . 10259 1 407 . 1 1 42 42 VAL H H 1 9.160 0.030 . 1 . . . . 42 VAL H . 10259 1 408 . 1 1 42 42 VAL HA H 1 3.803 0.030 . 1 . . . . 42 VAL HA . 10259 1 409 . 1 1 42 42 VAL HB H 1 2.302 0.030 . 1 . . . . 42 VAL HB . 10259 1 410 . 1 1 42 42 VAL HG11 H 1 0.734 0.030 . 1 . . . . 42 VAL HG1 . 10259 1 411 . 1 1 42 42 VAL HG12 H 1 0.734 0.030 . 1 . . . . 42 VAL HG1 . 10259 1 412 . 1 1 42 42 VAL HG13 H 1 0.734 0.030 . 1 . . . . 42 VAL HG1 . 10259 1 413 . 1 1 42 42 VAL HG21 H 1 0.843 0.030 . 1 . . . . 42 VAL HG2 . 10259 1 414 . 1 1 42 42 VAL HG22 H 1 0.843 0.030 . 1 . . . . 42 VAL HG2 . 10259 1 415 . 1 1 42 42 VAL HG23 H 1 0.843 0.030 . 1 . . . . 42 VAL HG2 . 10259 1 416 . 1 1 42 42 VAL C C 13 176.499 0.300 . 1 . . . . 42 VAL C . 10259 1 417 . 1 1 42 42 VAL CA C 13 64.196 0.300 . 1 . . . . 42 VAL CA . 10259 1 418 . 1 1 42 42 VAL CB C 13 31.773 0.300 . 1 . . . . 42 VAL CB . 10259 1 419 . 1 1 42 42 VAL CG1 C 13 22.021 0.300 . 2 . . . . 42 VAL CG1 . 10259 1 420 . 1 1 42 42 VAL CG2 C 13 21.599 0.300 . 2 . . . . 42 VAL CG2 . 10259 1 421 . 1 1 42 42 VAL N N 15 119.342 0.300 . 1 . . . . 42 VAL N . 10259 1 422 . 1 1 43 43 ARG H H 1 9.385 0.030 . 1 . . . . 43 ARG H . 10259 1 423 . 1 1 43 43 ARG HA H 1 4.527 0.030 . 1 . . . . 43 ARG HA . 10259 1 424 . 1 1 43 43 ARG HB2 H 1 1.655 0.030 . 2 . . . . 43 ARG HB2 . 10259 1 425 . 1 1 43 43 ARG HB3 H 1 1.370 0.030 . 2 . . . . 43 ARG HB3 . 10259 1 426 . 1 1 43 43 ARG HD2 H 1 3.121 0.030 . 2 . . . . 43 ARG HD2 . 10259 1 427 . 1 1 43 43 ARG HD3 H 1 3.072 0.030 . 2 . . . . 43 ARG HD3 . 10259 1 428 . 1 1 43 43 ARG HG2 H 1 1.530 0.030 . 2 . . . . 43 ARG HG2 . 10259 1 429 . 1 1 43 43 ARG HG3 H 1 1.431 0.030 . 2 . . . . 43 ARG HG3 . 10259 1 430 . 1 1 43 43 ARG C C 13 175.332 0.300 . 1 . . . . 43 ARG C . 10259 1 431 . 1 1 43 43 ARG CA C 13 55.340 0.300 . 1 . . . . 43 ARG CA . 10259 1 432 . 1 1 43 43 ARG CB C 13 32.242 0.300 . 1 . . . . 43 ARG CB . 10259 1 433 . 1 1 43 43 ARG CD C 13 42.954 0.300 . 1 . . . . 43 ARG CD . 10259 1 434 . 1 1 43 43 ARG CG C 13 26.718 0.300 . 1 . . . . 43 ARG CG . 10259 1 435 . 1 1 43 43 ARG N N 15 131.043 0.300 . 1 . . . . 43 ARG N . 10259 1 436 . 1 1 44 44 GLY H H 1 7.872 0.030 . 1 . . . . 44 GLY H . 10259 1 437 . 1 1 44 44 GLY HA2 H 1 4.155 0.030 . 2 . . . . 44 GLY HA2 . 10259 1 438 . 1 1 44 44 GLY HA3 H 1 3.765 0.030 . 2 . . . . 44 GLY HA3 . 10259 1 439 . 1 1 44 44 GLY C C 13 170.284 0.300 . 1 . . . . 44 GLY C . 10259 1 440 . 1 1 44 44 GLY CA C 13 45.602 0.300 . 1 . . . . 44 GLY CA . 10259 1 441 . 1 1 44 44 GLY N N 15 107.517 0.300 . 1 . . . . 44 GLY N . 10259 1 442 . 1 1 45 45 LEU H H 1 8.455 0.030 . 1 . . . . 45 LEU H . 10259 1 443 . 1 1 45 45 LEU HA H 1 4.915 0.030 . 1 . . . . 45 LEU HA . 10259 1 444 . 1 1 45 45 LEU HB2 H 1 1.728 0.030 . 2 . . . . 45 LEU HB2 . 10259 1 445 . 1 1 45 45 LEU HB3 H 1 0.979 0.030 . 2 . . . . 45 LEU HB3 . 10259 1 446 . 1 1 45 45 LEU HD11 H 1 0.749 0.030 . 1 . . . . 45 LEU HD1 . 10259 1 447 . 1 1 45 45 LEU HD12 H 1 0.749 0.030 . 1 . . . . 45 LEU HD1 . 10259 1 448 . 1 1 45 45 LEU HD13 H 1 0.749 0.030 . 1 . . . . 45 LEU HD1 . 10259 1 449 . 1 1 45 45 LEU HD21 H 1 0.605 0.030 . 1 . . . . 45 LEU HD2 . 10259 1 450 . 1 1 45 45 LEU HD22 H 1 0.605 0.030 . 1 . . . . 45 LEU HD2 . 10259 1 451 . 1 1 45 45 LEU HD23 H 1 0.605 0.030 . 1 . . . . 45 LEU HD2 . 10259 1 452 . 1 1 45 45 LEU HG H 1 1.264 0.030 . 1 . . . . 45 LEU HG . 10259 1 453 . 1 1 45 45 LEU C C 13 175.215 0.300 . 1 . . . . 45 LEU C . 10259 1 454 . 1 1 45 45 LEU CA C 13 52.795 0.300 . 1 . . . . 45 LEU CA . 10259 1 455 . 1 1 45 45 LEU CB C 13 44.824 0.300 . 1 . . . . 45 LEU CB . 10259 1 456 . 1 1 45 45 LEU CD1 C 13 26.475 0.300 . 2 . . . . 45 LEU CD1 . 10259 1 457 . 1 1 45 45 LEU CD2 C 13 26.472 0.300 . 2 . . . . 45 LEU CD2 . 10259 1 458 . 1 1 45 45 LEU CG C 13 26.534 0.300 . 1 . . . . 45 LEU CG . 10259 1 459 . 1 1 45 45 LEU N N 15 121.812 0.300 . 1 . . . . 45 LEU N . 10259 1 460 . 1 1 46 46 LEU H H 1 7.582 0.030 . 1 . . . . 46 LEU H . 10259 1 461 . 1 1 46 46 LEU HA H 1 4.208 0.030 . 1 . . . . 46 LEU HA . 10259 1 462 . 1 1 46 46 LEU HB2 H 1 1.612 0.030 . 2 . . . . 46 LEU HB2 . 10259 1 463 . 1 1 46 46 LEU HB3 H 1 1.461 0.030 . 2 . . . . 46 LEU HB3 . 10259 1 464 . 1 1 46 46 LEU HD11 H 1 0.843 0.030 . 1 . . . . 46 LEU HD1 . 10259 1 465 . 1 1 46 46 LEU HD12 H 1 0.843 0.030 . 1 . . . . 46 LEU HD1 . 10259 1 466 . 1 1 46 46 LEU HD13 H 1 0.843 0.030 . 1 . . . . 46 LEU HD1 . 10259 1 467 . 1 1 46 46 LEU HD21 H 1 0.917 0.030 . 1 . . . . 46 LEU HD2 . 10259 1 468 . 1 1 46 46 LEU HD22 H 1 0.917 0.030 . 1 . . . . 46 LEU HD2 . 10259 1 469 . 1 1 46 46 LEU HD23 H 1 0.917 0.030 . 1 . . . . 46 LEU HD2 . 10259 1 470 . 1 1 46 46 LEU HG H 1 1.538 0.030 . 1 . . . . 46 LEU HG . 10259 1 471 . 1 1 46 46 LEU C C 13 177.935 0.300 . 1 . . . . 46 LEU C . 10259 1 472 . 1 1 46 46 LEU CA C 13 54.984 0.300 . 1 . . . . 46 LEU CA . 10259 1 473 . 1 1 46 46 LEU CB C 13 42.815 0.300 . 1 . . . . 46 LEU CB . 10259 1 474 . 1 1 46 46 LEU CD1 C 13 25.070 0.300 . 2 . . . . 46 LEU CD1 . 10259 1 475 . 1 1 46 46 LEU CD2 C 13 23.754 0.300 . 2 . . . . 46 LEU CD2 . 10259 1 476 . 1 1 46 46 LEU CG C 13 27.131 0.300 . 1 . . . . 46 LEU CG . 10259 1 477 . 1 1 46 46 LEU N N 15 124.670 0.300 . 1 . . . . 46 LEU N . 10259 1 478 . 1 1 47 47 LYS H H 1 8.959 0.030 . 1 . . . . 47 LYS H . 10259 1 479 . 1 1 47 47 LYS HA H 1 3.875 0.030 . 1 . . . . 47 LYS HA . 10259 1 480 . 1 1 47 47 LYS HB2 H 1 1.848 0.030 . 2 . . . . 47 LYS HB2 . 10259 1 481 . 1 1 47 47 LYS HB3 H 1 1.719 0.030 . 2 . . . . 47 LYS HB3 . 10259 1 482 . 1 1 47 47 LYS HD2 H 1 1.727 0.030 . 2 . . . . 47 LYS HD2 . 10259 1 483 . 1 1 47 47 LYS HD3 H 1 1.656 0.030 . 2 . . . . 47 LYS HD3 . 10259 1 484 . 1 1 47 47 LYS HE2 H 1 3.022 0.030 . 1 . . . . 47 LYS HE2 . 10259 1 485 . 1 1 47 47 LYS HE3 H 1 3.022 0.030 . 1 . . . . 47 LYS HE3 . 10259 1 486 . 1 1 47 47 LYS HG2 H 1 1.426 0.030 . 2 . . . . 47 LYS HG2 . 10259 1 487 . 1 1 47 47 LYS HG3 H 1 1.365 0.030 . 2 . . . . 47 LYS HG3 . 10259 1 488 . 1 1 47 47 LYS C C 13 176.699 0.300 . 1 . . . . 47 LYS C . 10259 1 489 . 1 1 47 47 LYS CA C 13 58.861 0.300 . 1 . . . . 47 LYS CA . 10259 1 490 . 1 1 47 47 LYS CB C 13 32.076 0.300 . 1 . . . . 47 LYS CB . 10259 1 491 . 1 1 47 47 LYS CD C 13 29.231 0.300 . 1 . . . . 47 LYS CD . 10259 1 492 . 1 1 47 47 LYS CE C 13 42.181 0.300 . 1 . . . . 47 LYS CE . 10259 1 493 . 1 1 47 47 LYS CG C 13 24.504 0.300 . 1 . . . . 47 LYS CG . 10259 1 494 . 1 1 47 47 LYS N N 15 129.726 0.300 . 1 . . . . 47 LYS N . 10259 1 495 . 1 1 48 48 ASP H H 1 8.845 0.030 . 1 . . . . 48 ASP H . 10259 1 496 . 1 1 48 48 ASP HA H 1 4.395 0.030 . 1 . . . . 48 ASP HA . 10259 1 497 . 1 1 48 48 ASP HB2 H 1 2.951 0.030 . 1 . . . . 48 ASP HB2 . 10259 1 498 . 1 1 48 48 ASP HB3 H 1 2.951 0.030 . 1 . . . . 48 ASP HB3 . 10259 1 499 . 1 1 48 48 ASP C C 13 175.442 0.300 . 1 . . . . 48 ASP C . 10259 1 500 . 1 1 48 48 ASP CA C 13 56.632 0.300 . 1 . . . . 48 ASP CA . 10259 1 501 . 1 1 48 48 ASP CB C 13 39.740 0.300 . 1 . . . . 48 ASP CB . 10259 1 502 . 1 1 48 48 ASP N N 15 119.883 0.300 . 1 . . . . 48 ASP N . 10259 1 503 . 1 1 49 49 GLY H H 1 7.947 0.030 . 1 . . . . 49 GLY H . 10259 1 504 . 1 1 49 49 GLY HA2 H 1 4.578 0.030 . 2 . . . . 49 GLY HA2 . 10259 1 505 . 1 1 49 49 GLY HA3 H 1 3.748 0.030 . 2 . . . . 49 GLY HA3 . 10259 1 506 . 1 1 49 49 GLY C C 13 172.008 0.300 . 1 . . . . 49 GLY C . 10259 1 507 . 1 1 49 49 GLY CA C 13 45.000 0.300 . 1 . . . . 49 GLY CA . 10259 1 508 . 1 1 49 49 GLY N N 15 106.565 0.300 . 1 . . . . 49 GLY N . 10259 1 509 . 1 1 50 50 PRO HA H 1 4.268 0.030 . 1 . . . . 50 PRO HA . 10259 1 510 . 1 1 50 50 PRO HB2 H 1 2.712 0.030 . 2 . . . . 50 PRO HB2 . 10259 1 511 . 1 1 50 50 PRO HB3 H 1 2.129 0.030 . 2 . . . . 50 PRO HB3 . 10259 1 512 . 1 1 50 50 PRO HD2 H 1 3.899 0.030 . 2 . . . . 50 PRO HD2 . 10259 1 513 . 1 1 50 50 PRO HD3 H 1 3.226 0.030 . 2 . . . . 50 PRO HD3 . 10259 1 514 . 1 1 50 50 PRO HG2 H 1 2.493 0.030 . 2 . . . . 50 PRO HG2 . 10259 1 515 . 1 1 50 50 PRO HG3 H 1 2.234 0.030 . 2 . . . . 50 PRO HG3 . 10259 1 516 . 1 1 50 50 PRO C C 13 179.273 0.300 . 1 . . . . 50 PRO C . 10259 1 517 . 1 1 50 50 PRO CA C 13 65.791 0.300 . 1 . . . . 50 PRO CA . 10259 1 518 . 1 1 50 50 PRO CB C 13 32.532 0.300 . 1 . . . . 50 PRO CB . 10259 1 519 . 1 1 50 50 PRO CD C 13 49.465 0.300 . 1 . . . . 50 PRO CD . 10259 1 520 . 1 1 50 50 PRO CG C 13 28.577 0.300 . 1 . . . . 50 PRO CG . 10259 1 521 . 1 1 51 51 ALA H H 1 7.805 0.030 . 1 . . . . 51 ALA H . 10259 1 522 . 1 1 51 51 ALA HA H 1 4.167 0.030 . 1 . . . . 51 ALA HA . 10259 1 523 . 1 1 51 51 ALA HB1 H 1 1.358 0.030 . 1 . . . . 51 ALA HB . 10259 1 524 . 1 1 51 51 ALA HB2 H 1 1.358 0.030 . 1 . . . . 51 ALA HB . 10259 1 525 . 1 1 51 51 ALA HB3 H 1 1.358 0.030 . 1 . . . . 51 ALA HB . 10259 1 526 . 1 1 51 51 ALA C C 13 178.947 0.300 . 1 . . . . 51 ALA C . 10259 1 527 . 1 1 51 51 ALA CA C 13 55.079 0.300 . 1 . . . . 51 ALA CA . 10259 1 528 . 1 1 51 51 ALA CB C 13 18.988 0.300 . 1 . . . . 51 ALA CB . 10259 1 529 . 1 1 51 51 ALA N N 15 119.037 0.300 . 1 . . . . 51 ALA N . 10259 1 530 . 1 1 52 52 GLN H H 1 9.614 0.030 . 1 . . . . 52 GLN H . 10259 1 531 . 1 1 52 52 GLN HA H 1 3.969 0.030 . 1 . . . . 52 GLN HA . 10259 1 532 . 1 1 52 52 GLN HB2 H 1 2.308 0.030 . 2 . . . . 52 GLN HB2 . 10259 1 533 . 1 1 52 52 GLN HB3 H 1 1.933 0.030 . 2 . . . . 52 GLN HB3 . 10259 1 534 . 1 1 52 52 GLN HE21 H 1 7.507 0.030 . 2 . . . . 52 GLN HE21 . 10259 1 535 . 1 1 52 52 GLN HE22 H 1 6.984 0.030 . 2 . . . . 52 GLN HE22 . 10259 1 536 . 1 1 52 52 GLN HG2 H 1 2.461 0.030 . 2 . . . . 52 GLN HG2 . 10259 1 537 . 1 1 52 52 GLN HG3 H 1 2.354 0.030 . 2 . . . . 52 GLN HG3 . 10259 1 538 . 1 1 52 52 GLN C C 13 178.509 0.300 . 1 . . . . 52 GLN C . 10259 1 539 . 1 1 52 52 GLN CA C 13 59.529 0.300 . 1 . . . . 52 GLN CA . 10259 1 540 . 1 1 52 52 GLN CB C 13 29.107 0.300 . 1 . . . . 52 GLN CB . 10259 1 541 . 1 1 52 52 GLN CG C 13 34.301 0.300 . 1 . . . . 52 GLN CG . 10259 1 542 . 1 1 52 52 GLN N N 15 122.017 0.300 . 1 . . . . 52 GLN N . 10259 1 543 . 1 1 52 52 GLN NE2 N 15 113.666 0.300 . 1 . . . . 52 GLN NE2 . 10259 1 544 . 1 1 53 53 ARG H H 1 8.524 0.030 . 1 . . . . 53 ARG H . 10259 1 545 . 1 1 53 53 ARG HA H 1 3.996 0.030 . 1 . . . . 53 ARG HA . 10259 1 546 . 1 1 53 53 ARG HB2 H 1 1.855 0.030 . 2 . . . . 53 ARG HB2 . 10259 1 547 . 1 1 53 53 ARG HB3 H 1 1.810 0.030 . 2 . . . . 53 ARG HB3 . 10259 1 548 . 1 1 53 53 ARG HD2 H 1 3.131 0.030 . 1 . . . . 53 ARG HD2 . 10259 1 549 . 1 1 53 53 ARG HD3 H 1 3.131 0.030 . 1 . . . . 53 ARG HD3 . 10259 1 550 . 1 1 53 53 ARG HG2 H 1 1.749 0.030 . 2 . . . . 53 ARG HG2 . 10259 1 551 . 1 1 53 53 ARG HG3 H 1 1.657 0.030 . 2 . . . . 53 ARG HG3 . 10259 1 552 . 1 1 53 53 ARG C C 13 178.479 0.300 . 1 . . . . 53 ARG C . 10259 1 553 . 1 1 53 53 ARG CA C 13 58.825 0.300 . 1 . . . . 53 ARG CA . 10259 1 554 . 1 1 53 53 ARG CB C 13 30.546 0.300 . 1 . . . . 53 ARG CB . 10259 1 555 . 1 1 53 53 ARG CD C 13 43.449 0.300 . 1 . . . . 53 ARG CD . 10259 1 556 . 1 1 53 53 ARG CG C 13 28.301 0.300 . 1 . . . . 53 ARG CG . 10259 1 557 . 1 1 53 53 ARG N N 15 116.703 0.300 . 1 . . . . 53 ARG N . 10259 1 558 . 1 1 54 54 CYS H H 1 7.589 0.030 . 1 . . . . 54 CYS H . 10259 1 559 . 1 1 54 54 CYS HA H 1 4.641 0.030 . 1 . . . . 54 CYS HA . 10259 1 560 . 1 1 54 54 CYS HB2 H 1 3.187 0.030 . 1 . . . . 54 CYS HB2 . 10259 1 561 . 1 1 54 54 CYS HB3 H 1 3.187 0.030 . 1 . . . . 54 CYS HB3 . 10259 1 562 . 1 1 54 54 CYS C C 13 175.840 0.300 . 1 . . . . 54 CYS C . 10259 1 563 . 1 1 54 54 CYS CA C 13 59.724 0.300 . 1 . . . . 54 CYS CA . 10259 1 564 . 1 1 54 54 CYS CB C 13 27.419 0.300 . 1 . . . . 54 CYS CB . 10259 1 565 . 1 1 54 54 CYS N N 15 113.424 0.300 . 1 . . . . 54 CYS N . 10259 1 566 . 1 1 55 55 GLY H H 1 7.436 0.030 . 1 . . . . 55 GLY H . 10259 1 567 . 1 1 55 55 GLY HA2 H 1 4.082 0.030 . 1 . . . . 55 GLY HA2 . 10259 1 568 . 1 1 55 55 GLY HA3 H 1 4.082 0.030 . 1 . . . . 55 GLY HA3 . 10259 1 569 . 1 1 55 55 GLY C C 13 174.435 0.300 . 1 . . . . 55 GLY C . 10259 1 570 . 1 1 55 55 GLY CA C 13 46.977 0.300 . 1 . . . . 55 GLY CA . 10259 1 571 . 1 1 55 55 GLY N N 15 109.572 0.300 . 1 . . . . 55 GLY N . 10259 1 572 . 1 1 56 56 ARG H H 1 7.860 0.030 . 1 . . . . 56 ARG H . 10259 1 573 . 1 1 56 56 ARG HA H 1 4.472 0.030 . 1 . . . . 56 ARG HA . 10259 1 574 . 1 1 56 56 ARG HB2 H 1 2.108 0.030 . 2 . . . . 56 ARG HB2 . 10259 1 575 . 1 1 56 56 ARG HB3 H 1 1.586 0.030 . 2 . . . . 56 ARG HB3 . 10259 1 576 . 1 1 56 56 ARG HD2 H 1 3.205 0.030 . 1 . . . . 56 ARG HD2 . 10259 1 577 . 1 1 56 56 ARG HD3 H 1 3.205 0.030 . 1 . . . . 56 ARG HD3 . 10259 1 578 . 1 1 56 56 ARG HG2 H 1 1.775 0.030 . 2 . . . . 56 ARG HG2 . 10259 1 579 . 1 1 56 56 ARG HG3 H 1 1.583 0.030 . 2 . . . . 56 ARG HG3 . 10259 1 580 . 1 1 56 56 ARG C C 13 174.959 0.300 . 1 . . . . 56 ARG C . 10259 1 581 . 1 1 56 56 ARG CA C 13 55.687 0.300 . 1 . . . . 56 ARG CA . 10259 1 582 . 1 1 56 56 ARG CB C 13 32.785 0.300 . 1 . . . . 56 ARG CB . 10259 1 583 . 1 1 56 56 ARG CD C 13 43.077 0.300 . 1 . . . . 56 ARG CD . 10259 1 584 . 1 1 56 56 ARG CG C 13 26.912 0.300 . 1 . . . . 56 ARG CG . 10259 1 585 . 1 1 56 56 ARG N N 15 118.137 0.300 . 1 . . . . 56 ARG N . 10259 1 586 . 1 1 57 57 LEU H H 1 8.219 0.030 . 1 . . . . 57 LEU H . 10259 1 587 . 1 1 57 57 LEU HA H 1 4.926 0.030 . 1 . . . . 57 LEU HA . 10259 1 588 . 1 1 57 57 LEU HB2 H 1 1.644 0.030 . 2 . . . . 57 LEU HB2 . 10259 1 589 . 1 1 57 57 LEU HB3 H 1 1.116 0.030 . 2 . . . . 57 LEU HB3 . 10259 1 590 . 1 1 57 57 LEU HD11 H 1 0.804 0.030 . 1 . . . . 57 LEU HD1 . 10259 1 591 . 1 1 57 57 LEU HD12 H 1 0.804 0.030 . 1 . . . . 57 LEU HD1 . 10259 1 592 . 1 1 57 57 LEU HD13 H 1 0.804 0.030 . 1 . . . . 57 LEU HD1 . 10259 1 593 . 1 1 57 57 LEU HD21 H 1 0.922 0.030 . 1 . . . . 57 LEU HD2 . 10259 1 594 . 1 1 57 57 LEU HD22 H 1 0.922 0.030 . 1 . . . . 57 LEU HD2 . 10259 1 595 . 1 1 57 57 LEU HD23 H 1 0.922 0.030 . 1 . . . . 57 LEU HD2 . 10259 1 596 . 1 1 57 57 LEU HG H 1 1.500 0.030 . 1 . . . . 57 LEU HG . 10259 1 597 . 1 1 57 57 LEU C C 13 175.333 0.300 . 1 . . . . 57 LEU C . 10259 1 598 . 1 1 57 57 LEU CA C 13 53.043 0.300 . 1 . . . . 57 LEU CA . 10259 1 599 . 1 1 57 57 LEU CB C 13 46.459 0.300 . 1 . . . . 57 LEU CB . 10259 1 600 . 1 1 57 57 LEU CD1 C 13 26.554 0.300 . 2 . . . . 57 LEU CD1 . 10259 1 601 . 1 1 57 57 LEU CD2 C 13 24.865 0.300 . 2 . . . . 57 LEU CD2 . 10259 1 602 . 1 1 57 57 LEU CG C 13 27.213 0.300 . 1 . . . . 57 LEU CG . 10259 1 603 . 1 1 57 57 LEU N N 15 117.496 0.300 . 1 . . . . 57 LEU N . 10259 1 604 . 1 1 58 58 GLU H H 1 9.053 0.030 . 1 . . . . 58 GLU H . 10259 1 605 . 1 1 58 58 GLU HA H 1 4.460 0.030 . 1 . . . . 58 GLU HA . 10259 1 606 . 1 1 58 58 GLU HB2 H 1 1.967 0.030 . 2 . . . . 58 GLU HB2 . 10259 1 607 . 1 1 58 58 GLU HB3 H 1 1.733 0.030 . 2 . . . . 58 GLU HB3 . 10259 1 608 . 1 1 58 58 GLU HG2 H 1 2.197 0.030 . 1 . . . . 58 GLU HG2 . 10259 1 609 . 1 1 58 58 GLU HG3 H 1 2.197 0.030 . 1 . . . . 58 GLU HG3 . 10259 1 610 . 1 1 58 58 GLU C C 13 175.683 0.300 . 1 . . . . 58 GLU C . 10259 1 611 . 1 1 58 58 GLU CA C 13 54.144 0.300 . 1 . . . . 58 GLU CA . 10259 1 612 . 1 1 58 58 GLU CB C 13 33.286 0.300 . 1 . . . . 58 GLU CB . 10259 1 613 . 1 1 58 58 GLU CG C 13 35.685 0.300 . 1 . . . . 58 GLU CG . 10259 1 614 . 1 1 58 58 GLU N N 15 121.883 0.300 . 1 . . . . 58 GLU N . 10259 1 615 . 1 1 59 59 VAL H H 1 8.727 0.030 . 1 . . . . 59 VAL H . 10259 1 616 . 1 1 59 59 VAL HA H 1 3.213 0.030 . 1 . . . . 59 VAL HA . 10259 1 617 . 1 1 59 59 VAL HB H 1 1.893 0.030 . 1 . . . . 59 VAL HB . 10259 1 618 . 1 1 59 59 VAL HG11 H 1 0.881 0.030 . 1 . . . . 59 VAL HG1 . 10259 1 619 . 1 1 59 59 VAL HG12 H 1 0.881 0.030 . 1 . . . . 59 VAL HG1 . 10259 1 620 . 1 1 59 59 VAL HG13 H 1 0.881 0.030 . 1 . . . . 59 VAL HG1 . 10259 1 621 . 1 1 59 59 VAL HG21 H 1 0.898 0.030 . 1 . . . . 59 VAL HG2 . 10259 1 622 . 1 1 59 59 VAL HG22 H 1 0.898 0.030 . 1 . . . . 59 VAL HG2 . 10259 1 623 . 1 1 59 59 VAL HG23 H 1 0.898 0.030 . 1 . . . . 59 VAL HG2 . 10259 1 624 . 1 1 59 59 VAL C C 13 177.728 0.300 . 1 . . . . 59 VAL C . 10259 1 625 . 1 1 59 59 VAL CA C 13 65.823 0.300 . 1 . . . . 59 VAL CA . 10259 1 626 . 1 1 59 59 VAL CB C 13 31.151 0.300 . 1 . . . . 59 VAL CB . 10259 1 627 . 1 1 59 59 VAL CG1 C 13 22.495 0.300 . 2 . . . . 59 VAL CG1 . 10259 1 628 . 1 1 59 59 VAL CG2 C 13 21.364 0.300 . 2 . . . . 59 VAL CG2 . 10259 1 629 . 1 1 59 59 VAL N N 15 121.698 0.300 . 1 . . . . 59 VAL N . 10259 1 630 . 1 1 60 60 GLY H H 1 9.172 0.030 . 1 . . . . 60 GLY H . 10259 1 631 . 1 1 60 60 GLY HA2 H 1 4.500 0.030 . 2 . . . . 60 GLY HA2 . 10259 1 632 . 1 1 60 60 GLY HA3 H 1 3.469 0.030 . 2 . . . . 60 GLY HA3 . 10259 1 633 . 1 1 60 60 GLY C C 13 173.646 0.300 . 1 . . . . 60 GLY C . 10259 1 634 . 1 1 60 60 GLY CA C 13 44.148 0.300 . 1 . . . . 60 GLY CA . 10259 1 635 . 1 1 60 60 GLY N N 15 117.734 0.300 . 1 . . . . 60 GLY N . 10259 1 636 . 1 1 61 61 ASP H H 1 7.877 0.030 . 1 . . . . 61 ASP H . 10259 1 637 . 1 1 61 61 ASP HA H 1 4.551 0.030 . 1 . . . . 61 ASP HA . 10259 1 638 . 1 1 61 61 ASP HB2 H 1 2.615 0.030 . 2 . . . . 61 ASP HB2 . 10259 1 639 . 1 1 61 61 ASP HB3 H 1 2.535 0.030 . 2 . . . . 61 ASP HB3 . 10259 1 640 . 1 1 61 61 ASP C C 13 175.437 0.300 . 1 . . . . 61 ASP C . 10259 1 641 . 1 1 61 61 ASP CA C 13 56.057 0.300 . 1 . . . . 61 ASP CA . 10259 1 642 . 1 1 61 61 ASP CB C 13 40.660 0.300 . 1 . . . . 61 ASP CB . 10259 1 643 . 1 1 61 61 ASP N N 15 121.399 0.300 . 1 . . . . 61 ASP N . 10259 1 644 . 1 1 62 62 LEU H H 1 8.773 0.030 . 1 . . . . 62 LEU H . 10259 1 645 . 1 1 62 62 LEU HA H 1 4.713 0.030 . 1 . . . . 62 LEU HA . 10259 1 646 . 1 1 62 62 LEU HB2 H 1 2.004 0.030 . 2 . . . . 62 LEU HB2 . 10259 1 647 . 1 1 62 62 LEU HB3 H 1 1.435 0.030 . 2 . . . . 62 LEU HB3 . 10259 1 648 . 1 1 62 62 LEU HD11 H 1 0.892 0.030 . 1 . . . . 62 LEU HD1 . 10259 1 649 . 1 1 62 62 LEU HD12 H 1 0.892 0.030 . 1 . . . . 62 LEU HD1 . 10259 1 650 . 1 1 62 62 LEU HD13 H 1 0.892 0.030 . 1 . . . . 62 LEU HD1 . 10259 1 651 . 1 1 62 62 LEU HD21 H 1 0.843 0.030 . 1 . . . . 62 LEU HD2 . 10259 1 652 . 1 1 62 62 LEU HD22 H 1 0.843 0.030 . 1 . . . . 62 LEU HD2 . 10259 1 653 . 1 1 62 62 LEU HD23 H 1 0.843 0.030 . 1 . . . . 62 LEU HD2 . 10259 1 654 . 1 1 62 62 LEU HG H 1 1.819 0.030 . 1 . . . . 62 LEU HG . 10259 1 655 . 1 1 62 62 LEU C C 13 176.560 0.300 . 1 . . . . 62 LEU C . 10259 1 656 . 1 1 62 62 LEU CA C 13 54.259 0.300 . 1 . . . . 62 LEU CA . 10259 1 657 . 1 1 62 62 LEU CB C 13 42.022 0.300 . 1 . . . . 62 LEU CB . 10259 1 658 . 1 1 62 62 LEU CD1 C 13 25.462 0.300 . 2 . . . . 62 LEU CD1 . 10259 1 659 . 1 1 62 62 LEU CD2 C 13 22.927 0.300 . 2 . . . . 62 LEU CD2 . 10259 1 660 . 1 1 62 62 LEU CG C 13 26.905 0.300 . 1 . . . . 62 LEU CG . 10259 1 661 . 1 1 62 62 LEU N N 15 120.566 0.300 . 1 . . . . 62 LEU N . 10259 1 662 . 1 1 63 63 VAL H H 1 8.121 0.030 . 1 . . . . 63 VAL H . 10259 1 663 . 1 1 63 63 VAL HA H 1 4.113 0.030 . 1 . . . . 63 VAL HA . 10259 1 664 . 1 1 63 63 VAL HB H 1 1.755 0.030 . 1 . . . . 63 VAL HB . 10259 1 665 . 1 1 63 63 VAL HG11 H 1 0.688 0.030 . 1 . . . . 63 VAL HG1 . 10259 1 666 . 1 1 63 63 VAL HG12 H 1 0.688 0.030 . 1 . . . . 63 VAL HG1 . 10259 1 667 . 1 1 63 63 VAL HG13 H 1 0.688 0.030 . 1 . . . . 63 VAL HG1 . 10259 1 668 . 1 1 63 63 VAL HG21 H 1 0.672 0.030 . 1 . . . . 63 VAL HG2 . 10259 1 669 . 1 1 63 63 VAL HG22 H 1 0.672 0.030 . 1 . . . . 63 VAL HG2 . 10259 1 670 . 1 1 63 63 VAL HG23 H 1 0.672 0.030 . 1 . . . . 63 VAL HG2 . 10259 1 671 . 1 1 63 63 VAL C C 13 175.468 0.300 . 1 . . . . 63 VAL C . 10259 1 672 . 1 1 63 63 VAL CA C 13 61.763 0.300 . 1 . . . . 63 VAL CA . 10259 1 673 . 1 1 63 63 VAL CB C 13 31.413 0.300 . 1 . . . . 63 VAL CB . 10259 1 674 . 1 1 63 63 VAL CG1 C 13 22.921 0.300 . 2 . . . . 63 VAL CG1 . 10259 1 675 . 1 1 63 63 VAL CG2 C 13 20.382 0.300 . 2 . . . . 63 VAL CG2 . 10259 1 676 . 1 1 63 63 VAL N N 15 121.172 0.300 . 1 . . . . 63 VAL N . 10259 1 677 . 1 1 64 64 LEU H H 1 9.077 0.030 . 1 . . . . 64 LEU H . 10259 1 678 . 1 1 64 64 LEU HA H 1 4.113 0.030 . 1 . . . . 64 LEU HA . 10259 1 679 . 1 1 64 64 LEU HB2 H 1 1.458 0.030 . 2 . . . . 64 LEU HB2 . 10259 1 680 . 1 1 64 64 LEU HB3 H 1 1.338 0.030 . 2 . . . . 64 LEU HB3 . 10259 1 681 . 1 1 64 64 LEU HD11 H 1 0.609 0.030 . 1 . . . . 64 LEU HD1 . 10259 1 682 . 1 1 64 64 LEU HD12 H 1 0.609 0.030 . 1 . . . . 64 LEU HD1 . 10259 1 683 . 1 1 64 64 LEU HD13 H 1 0.609 0.030 . 1 . . . . 64 LEU HD1 . 10259 1 684 . 1 1 64 64 LEU HD21 H 1 0.665 0.030 . 1 . . . . 64 LEU HD2 . 10259 1 685 . 1 1 64 64 LEU HD22 H 1 0.665 0.030 . 1 . . . . 64 LEU HD2 . 10259 1 686 . 1 1 64 64 LEU HD23 H 1 0.665 0.030 . 1 . . . . 64 LEU HD2 . 10259 1 687 . 1 1 64 64 LEU HG H 1 1.476 0.030 . 1 . . . . 64 LEU HG . 10259 1 688 . 1 1 64 64 LEU C C 13 177.611 0.300 . 1 . . . . 64 LEU C . 10259 1 689 . 1 1 64 64 LEU CA C 13 56.614 0.300 . 1 . . . . 64 LEU CA . 10259 1 690 . 1 1 64 64 LEU CB C 13 42.994 0.300 . 1 . . . . 64 LEU CB . 10259 1 691 . 1 1 64 64 LEU CD1 C 13 25.812 0.300 . 2 . . . . 64 LEU CD1 . 10259 1 692 . 1 1 64 64 LEU CD2 C 13 22.433 0.300 . 2 . . . . 64 LEU CD2 . 10259 1 693 . 1 1 64 64 LEU CG C 13 27.004 0.300 . 1 . . . . 64 LEU CG . 10259 1 694 . 1 1 64 64 LEU N N 15 130.175 0.300 . 1 . . . . 64 LEU N . 10259 1 695 . 1 1 65 65 HIS H H 1 7.510 0.030 . 1 . . . . 65 HIS H . 10259 1 696 . 1 1 65 65 HIS HA H 1 5.297 0.030 . 1 . . . . 65 HIS HA . 10259 1 697 . 1 1 65 65 HIS HB2 H 1 2.727 0.030 . 2 . . . . 65 HIS HB2 . 10259 1 698 . 1 1 65 65 HIS HB3 H 1 2.515 0.030 . 2 . . . . 65 HIS HB3 . 10259 1 699 . 1 1 65 65 HIS HD2 H 1 6.502 0.030 . 1 . . . . 65 HIS HD2 . 10259 1 700 . 1 1 65 65 HIS HE1 H 1 7.705 0.030 . 1 . . . . 65 HIS HE1 . 10259 1 701 . 1 1 65 65 HIS C C 13 174.833 0.300 . 1 . . . . 65 HIS C . 10259 1 702 . 1 1 65 65 HIS CA C 13 55.715 0.300 . 1 . . . . 65 HIS CA . 10259 1 703 . 1 1 65 65 HIS CB C 13 35.813 0.300 . 1 . . . . 65 HIS CB . 10259 1 704 . 1 1 65 65 HIS CD2 C 13 118.670 0.300 . 1 . . . . 65 HIS CD2 . 10259 1 705 . 1 1 65 65 HIS CE1 C 13 138.613 0.300 . 1 . . . . 65 HIS CE1 . 10259 1 706 . 1 1 65 65 HIS N N 15 115.096 0.300 . 1 . . . . 65 HIS N . 10259 1 707 . 1 1 66 66 ILE H H 1 8.675 0.030 . 1 . . . . 66 ILE H . 10259 1 708 . 1 1 66 66 ILE HA H 1 4.320 0.030 . 1 . . . . 66 ILE HA . 10259 1 709 . 1 1 66 66 ILE HB H 1 1.364 0.030 . 1 . . . . 66 ILE HB . 10259 1 710 . 1 1 66 66 ILE HD11 H 1 0.631 0.030 . 1 . . . . 66 ILE HD1 . 10259 1 711 . 1 1 66 66 ILE HD12 H 1 0.631 0.030 . 1 . . . . 66 ILE HD1 . 10259 1 712 . 1 1 66 66 ILE HD13 H 1 0.631 0.030 . 1 . . . . 66 ILE HD1 . 10259 1 713 . 1 1 66 66 ILE HG12 H 1 1.199 0.030 . 2 . . . . 66 ILE HG12 . 10259 1 714 . 1 1 66 66 ILE HG13 H 1 0.539 0.030 . 2 . . . . 66 ILE HG13 . 10259 1 715 . 1 1 66 66 ILE HG21 H 1 0.612 0.030 . 1 . . . . 66 ILE HG2 . 10259 1 716 . 1 1 66 66 ILE HG22 H 1 0.612 0.030 . 1 . . . . 66 ILE HG2 . 10259 1 717 . 1 1 66 66 ILE HG23 H 1 0.612 0.030 . 1 . . . . 66 ILE HG2 . 10259 1 718 . 1 1 66 66 ILE C C 13 175.571 0.300 . 1 . . . . 66 ILE C . 10259 1 719 . 1 1 66 66 ILE CA C 13 60.510 0.300 . 1 . . . . 66 ILE CA . 10259 1 720 . 1 1 66 66 ILE CB C 13 41.360 0.300 . 1 . . . . 66 ILE CB . 10259 1 721 . 1 1 66 66 ILE CD1 C 13 14.035 0.300 . 1 . . . . 66 ILE CD1 . 10259 1 722 . 1 1 66 66 ILE CG1 C 13 27.375 0.300 . 1 . . . . 66 ILE CG1 . 10259 1 723 . 1 1 66 66 ILE CG2 C 13 17.521 0.300 . 1 . . . . 66 ILE CG2 . 10259 1 724 . 1 1 66 66 ILE N N 15 119.474 0.300 . 1 . . . . 66 ILE N . 10259 1 725 . 1 1 67 67 ASN H H 1 10.170 0.030 . 1 . . . . 67 ASN H . 10259 1 726 . 1 1 67 67 ASN HA H 1 4.595 0.030 . 1 . . . . 67 ASN HA . 10259 1 727 . 1 1 67 67 ASN HB2 H 1 3.037 0.030 . 2 . . . . 67 ASN HB2 . 10259 1 728 . 1 1 67 67 ASN HB3 H 1 2.866 0.030 . 2 . . . . 67 ASN HB3 . 10259 1 729 . 1 1 67 67 ASN HD21 H 1 8.052 0.030 . 2 . . . . 67 ASN HD21 . 10259 1 730 . 1 1 67 67 ASN HD22 H 1 7.663 0.030 . 2 . . . . 67 ASN HD22 . 10259 1 731 . 1 1 67 67 ASN C C 13 175.349 0.300 . 1 . . . . 67 ASN C . 10259 1 732 . 1 1 67 67 ASN CA C 13 54.589 0.300 . 1 . . . . 67 ASN CA . 10259 1 733 . 1 1 67 67 ASN CB C 13 37.267 0.300 . 1 . . . . 67 ASN CB . 10259 1 734 . 1 1 67 67 ASN N N 15 129.216 0.300 . 1 . . . . 67 ASN N . 10259 1 735 . 1 1 67 67 ASN ND2 N 15 115.697 0.300 . 1 . . . . 67 ASN ND2 . 10259 1 736 . 1 1 68 68 GLY H H 1 9.396 0.030 . 1 . . . . 68 GLY H . 10259 1 737 . 1 1 68 68 GLY HA2 H 1 4.155 0.030 . 2 . . . . 68 GLY HA2 . 10259 1 738 . 1 1 68 68 GLY HA3 H 1 3.585 0.030 . 2 . . . . 68 GLY HA3 . 10259 1 739 . 1 1 68 68 GLY C C 13 173.920 0.300 . 1 . . . . 68 GLY C . 10259 1 740 . 1 1 68 68 GLY CA C 13 45.267 0.300 . 1 . . . . 68 GLY CA . 10259 1 741 . 1 1 68 68 GLY N N 15 104.067 0.300 . 1 . . . . 68 GLY N . 10259 1 742 . 1 1 69 69 GLU H H 1 7.815 0.030 . 1 . . . . 69 GLU H . 10259 1 743 . 1 1 69 69 GLU HA H 1 4.619 0.030 . 1 . . . . 69 GLU HA . 10259 1 744 . 1 1 69 69 GLU HB2 H 1 2.066 0.030 . 2 . . . . 69 GLU HB2 . 10259 1 745 . 1 1 69 69 GLU HB3 H 1 1.877 0.030 . 2 . . . . 69 GLU HB3 . 10259 1 746 . 1 1 69 69 GLU HG2 H 1 2.284 0.030 . 1 . . . . 69 GLU HG2 . 10259 1 747 . 1 1 69 69 GLU HG3 H 1 2.284 0.030 . 1 . . . . 69 GLU HG3 . 10259 1 748 . 1 1 69 69 GLU C C 13 175.696 0.300 . 1 . . . . 69 GLU C . 10259 1 749 . 1 1 69 69 GLU CA C 13 54.803 0.300 . 1 . . . . 69 GLU CA . 10259 1 750 . 1 1 69 69 GLU CB C 13 32.281 0.300 . 1 . . . . 69 GLU CB . 10259 1 751 . 1 1 69 69 GLU CG C 13 35.857 0.300 . 1 . . . . 69 GLU CG . 10259 1 752 . 1 1 69 69 GLU N N 15 121.337 0.300 . 1 . . . . 69 GLU N . 10259 1 753 . 1 1 70 70 SER H H 1 8.867 0.030 . 1 . . . . 70 SER H . 10259 1 754 . 1 1 70 70 SER HA H 1 4.411 0.030 . 1 . . . . 70 SER HA . 10259 1 755 . 1 1 70 70 SER HB2 H 1 4.017 0.030 . 2 . . . . 70 SER HB2 . 10259 1 756 . 1 1 70 70 SER HB3 H 1 3.778 0.030 . 2 . . . . 70 SER HB3 . 10259 1 757 . 1 1 70 70 SER C C 13 176.409 0.300 . 1 . . . . 70 SER C . 10259 1 758 . 1 1 70 70 SER CA C 13 58.034 0.300 . 1 . . . . 70 SER CA . 10259 1 759 . 1 1 70 70 SER CB C 13 63.432 0.300 . 1 . . . . 70 SER CB . 10259 1 760 . 1 1 70 70 SER N N 15 119.566 0.300 . 1 . . . . 70 SER N . 10259 1 761 . 1 1 71 71 THR H H 1 7.914 0.030 . 1 . . . . 71 THR H . 10259 1 762 . 1 1 71 71 THR HA H 1 4.162 0.030 . 1 . . . . 71 THR HA . 10259 1 763 . 1 1 71 71 THR HB H 1 4.520 0.030 . 1 . . . . 71 THR HB . 10259 1 764 . 1 1 71 71 THR HG21 H 1 0.902 0.030 . 1 . . . . 71 THR HG2 . 10259 1 765 . 1 1 71 71 THR HG22 H 1 0.902 0.030 . 1 . . . . 71 THR HG2 . 10259 1 766 . 1 1 71 71 THR HG23 H 1 0.902 0.030 . 1 . . . . 71 THR HG2 . 10259 1 767 . 1 1 71 71 THR C C 13 175.433 0.300 . 1 . . . . 71 THR C . 10259 1 768 . 1 1 71 71 THR CA C 13 60.921 0.300 . 1 . . . . 71 THR CA . 10259 1 769 . 1 1 71 71 THR CB C 13 68.671 0.300 . 1 . . . . 71 THR CB . 10259 1 770 . 1 1 71 71 THR CG2 C 13 22.412 0.300 . 1 . . . . 71 THR CG2 . 10259 1 771 . 1 1 71 71 THR N N 15 114.514 0.300 . 1 . . . . 71 THR N . 10259 1 772 . 1 1 72 72 GLN H H 1 8.131 0.030 . 1 . . . . 72 GLN H . 10259 1 773 . 1 1 72 72 GLN HA H 1 4.020 0.030 . 1 . . . . 72 GLN HA . 10259 1 774 . 1 1 72 72 GLN HB2 H 1 1.971 0.030 . 1 . . . . 72 GLN HB2 . 10259 1 775 . 1 1 72 72 GLN HB3 H 1 1.971 0.030 . 1 . . . . 72 GLN HB3 . 10259 1 776 . 1 1 72 72 GLN HE21 H 1 7.538 0.030 . 2 . . . . 72 GLN HE21 . 10259 1 777 . 1 1 72 72 GLN HE22 H 1 6.847 0.030 . 2 . . . . 72 GLN HE22 . 10259 1 778 . 1 1 72 72 GLN HG2 H 1 2.343 0.030 . 1 . . . . 72 GLN HG2 . 10259 1 779 . 1 1 72 72 GLN HG3 H 1 2.343 0.030 . 1 . . . . 72 GLN HG3 . 10259 1 780 . 1 1 72 72 GLN C C 13 176.950 0.300 . 1 . . . . 72 GLN C . 10259 1 781 . 1 1 72 72 GLN CA C 13 58.361 0.300 . 1 . . . . 72 GLN CA . 10259 1 782 . 1 1 72 72 GLN CB C 13 28.079 0.300 . 1 . . . . 72 GLN CB . 10259 1 783 . 1 1 72 72 GLN CG C 13 33.399 0.300 . 1 . . . . 72 GLN CG . 10259 1 784 . 1 1 72 72 GLN N N 15 124.809 0.300 . 1 . . . . 72 GLN N . 10259 1 785 . 1 1 72 72 GLN NE2 N 15 112.395 0.300 . 1 . . . . 72 GLN NE2 . 10259 1 786 . 1 1 73 73 GLY H H 1 9.025 0.030 . 1 . . . . 73 GLY H . 10259 1 787 . 1 1 73 73 GLY HA2 H 1 4.092 0.030 . 2 . . . . 73 GLY HA2 . 10259 1 788 . 1 1 73 73 GLY HA3 H 1 3.754 0.030 . 2 . . . . 73 GLY HA3 . 10259 1 789 . 1 1 73 73 GLY C C 13 173.971 0.300 . 1 . . . . 73 GLY C . 10259 1 790 . 1 1 73 73 GLY CA C 13 45.373 0.300 . 1 . . . . 73 GLY CA . 10259 1 791 . 1 1 73 73 GLY N N 15 114.015 0.300 . 1 . . . . 73 GLY N . 10259 1 792 . 1 1 74 74 LEU H H 1 7.672 0.030 . 1 . . . . 74 LEU H . 10259 1 793 . 1 1 74 74 LEU HA H 1 4.768 0.030 . 1 . . . . 74 LEU HA . 10259 1 794 . 1 1 74 74 LEU HB2 H 1 1.768 0.030 . 2 . . . . 74 LEU HB2 . 10259 1 795 . 1 1 74 74 LEU HB3 H 1 1.623 0.030 . 2 . . . . 74 LEU HB3 . 10259 1 796 . 1 1 74 74 LEU HD11 H 1 0.667 0.030 . 1 . . . . 74 LEU HD1 . 10259 1 797 . 1 1 74 74 LEU HD12 H 1 0.667 0.030 . 1 . . . . 74 LEU HD1 . 10259 1 798 . 1 1 74 74 LEU HD13 H 1 0.667 0.030 . 1 . . . . 74 LEU HD1 . 10259 1 799 . 1 1 74 74 LEU HD21 H 1 0.706 0.030 . 1 . . . . 74 LEU HD2 . 10259 1 800 . 1 1 74 74 LEU HD22 H 1 0.706 0.030 . 1 . . . . 74 LEU HD2 . 10259 1 801 . 1 1 74 74 LEU HD23 H 1 0.706 0.030 . 1 . . . . 74 LEU HD2 . 10259 1 802 . 1 1 74 74 LEU HG H 1 1.590 0.030 . 1 . . . . 74 LEU HG . 10259 1 803 . 1 1 74 74 LEU C C 13 179.964 0.300 . 1 . . . . 74 LEU C . 10259 1 804 . 1 1 74 74 LEU CA C 13 54.682 0.300 . 1 . . . . 74 LEU CA . 10259 1 805 . 1 1 74 74 LEU CB C 13 42.355 0.300 . 1 . . . . 74 LEU CB . 10259 1 806 . 1 1 74 74 LEU CD1 C 13 25.812 0.300 . 2 . . . . 74 LEU CD1 . 10259 1 807 . 1 1 74 74 LEU CD2 C 13 22.020 0.300 . 2 . . . . 74 LEU CD2 . 10259 1 808 . 1 1 74 74 LEU CG C 13 26.636 0.300 . 1 . . . . 74 LEU CG . 10259 1 809 . 1 1 74 74 LEU N N 15 118.933 0.300 . 1 . . . . 74 LEU N . 10259 1 810 . 1 1 75 75 THR H H 1 8.911 0.030 . 1 . . . . 75 THR H . 10259 1 811 . 1 1 75 75 THR HA H 1 4.799 0.030 . 1 . . . . 75 THR HA . 10259 1 812 . 1 1 75 75 THR HB H 1 4.799 0.030 . 1 . . . . 75 THR HB . 10259 1 813 . 1 1 75 75 THR HG21 H 1 1.328 0.030 . 1 . . . . 75 THR HG2 . 10259 1 814 . 1 1 75 75 THR HG22 H 1 1.328 0.030 . 1 . . . . 75 THR HG2 . 10259 1 815 . 1 1 75 75 THR HG23 H 1 1.328 0.030 . 1 . . . . 75 THR HG2 . 10259 1 816 . 1 1 75 75 THR C C 13 174.971 0.300 . 1 . . . . 75 THR C . 10259 1 817 . 1 1 75 75 THR CA C 13 60.571 0.300 . 1 . . . . 75 THR CA . 10259 1 818 . 1 1 75 75 THR CB C 13 71.058 0.300 . 1 . . . . 75 THR CB . 10259 1 819 . 1 1 75 75 THR CG2 C 13 21.526 0.300 . 1 . . . . 75 THR CG2 . 10259 1 820 . 1 1 75 75 THR N N 15 113.687 0.300 . 1 . . . . 75 THR N . 10259 1 821 . 1 1 76 76 HIS H H 1 9.474 0.030 . 1 . . . . 76 HIS H . 10259 1 822 . 1 1 76 76 HIS HA H 1 3.997 0.030 . 1 . . . . 76 HIS HA . 10259 1 823 . 1 1 76 76 HIS HB2 H 1 3.548 0.030 . 2 . . . . 76 HIS HB2 . 10259 1 824 . 1 1 76 76 HIS HB3 H 1 3.085 0.030 . 2 . . . . 76 HIS HB3 . 10259 1 825 . 1 1 76 76 HIS HD2 H 1 6.610 0.030 . 1 . . . . 76 HIS HD2 . 10259 1 826 . 1 1 76 76 HIS C C 13 176.917 0.300 . 1 . . . . 76 HIS C . 10259 1 827 . 1 1 76 76 HIS CA C 13 61.208 0.300 . 1 . . . . 76 HIS CA . 10259 1 828 . 1 1 76 76 HIS CB C 13 29.729 0.300 . 1 . . . . 76 HIS CB . 10259 1 829 . 1 1 76 76 HIS CD2 C 13 118.701 0.300 . 1 . . . . 76 HIS CD2 . 10259 1 830 . 1 1 76 76 HIS N N 15 122.022 0.300 . 1 . . . . 76 HIS N . 10259 1 831 . 1 1 77 77 ALA H H 1 8.457 0.030 . 1 . . . . 77 ALA H . 10259 1 832 . 1 1 77 77 ALA HA H 1 3.946 0.030 . 1 . . . . 77 ALA HA . 10259 1 833 . 1 1 77 77 ALA HB1 H 1 1.430 0.030 . 1 . . . . 77 ALA HB . 10259 1 834 . 1 1 77 77 ALA HB2 H 1 1.430 0.030 . 1 . . . . 77 ALA HB . 10259 1 835 . 1 1 77 77 ALA HB3 H 1 1.430 0.030 . 1 . . . . 77 ALA HB . 10259 1 836 . 1 1 77 77 ALA C C 13 181.502 0.300 . 1 . . . . 77 ALA C . 10259 1 837 . 1 1 77 77 ALA CA C 13 55.282 0.300 . 1 . . . . 77 ALA CA . 10259 1 838 . 1 1 77 77 ALA CB C 13 18.162 0.300 . 1 . . . . 77 ALA CB . 10259 1 839 . 1 1 77 77 ALA N N 15 119.389 0.300 . 1 . . . . 77 ALA N . 10259 1 840 . 1 1 78 78 GLN H H 1 7.991 0.030 . 1 . . . . 78 GLN H . 10259 1 841 . 1 1 78 78 GLN HA H 1 4.029 0.030 . 1 . . . . 78 GLN HA . 10259 1 842 . 1 1 78 78 GLN HB2 H 1 2.442 0.030 . 2 . . . . 78 GLN HB2 . 10259 1 843 . 1 1 78 78 GLN HB3 H 1 1.894 0.030 . 2 . . . . 78 GLN HB3 . 10259 1 844 . 1 1 78 78 GLN HE21 H 1 7.539 0.030 . 2 . . . . 78 GLN HE21 . 10259 1 845 . 1 1 78 78 GLN HE22 H 1 6.736 0.030 . 2 . . . . 78 GLN HE22 . 10259 1 846 . 1 1 78 78 GLN HG2 H 1 2.468 0.030 . 1 . . . . 78 GLN HG2 . 10259 1 847 . 1 1 78 78 GLN HG3 H 1 2.468 0.030 . 1 . . . . 78 GLN HG3 . 10259 1 848 . 1 1 78 78 GLN C C 13 179.215 0.300 . 1 . . . . 78 GLN C . 10259 1 849 . 1 1 78 78 GLN CA C 13 58.562 0.300 . 1 . . . . 78 GLN CA . 10259 1 850 . 1 1 78 78 GLN CB C 13 29.592 0.300 . 1 . . . . 78 GLN CB . 10259 1 851 . 1 1 78 78 GLN CG C 13 34.960 0.300 . 1 . . . . 78 GLN CG . 10259 1 852 . 1 1 78 78 GLN N N 15 117.510 0.300 . 1 . . . . 78 GLN N . 10259 1 853 . 1 1 78 78 GLN NE2 N 15 110.708 0.300 . 1 . . . . 78 GLN NE2 . 10259 1 854 . 1 1 79 79 ALA H H 1 8.367 0.030 . 1 . . . . 79 ALA H . 10259 1 855 . 1 1 79 79 ALA HA H 1 3.775 0.030 . 1 . . . . 79 ALA HA . 10259 1 856 . 1 1 79 79 ALA HB1 H 1 1.340 0.030 . 1 . . . . 79 ALA HB . 10259 1 857 . 1 1 79 79 ALA HB2 H 1 1.340 0.030 . 1 . . . . 79 ALA HB . 10259 1 858 . 1 1 79 79 ALA HB3 H 1 1.340 0.030 . 1 . . . . 79 ALA HB . 10259 1 859 . 1 1 79 79 ALA C C 13 178.754 0.300 . 1 . . . . 79 ALA C . 10259 1 860 . 1 1 79 79 ALA CA C 13 55.828 0.300 . 1 . . . . 79 ALA CA . 10259 1 861 . 1 1 79 79 ALA CB C 13 18.733 0.300 . 1 . . . . 79 ALA CB . 10259 1 862 . 1 1 79 79 ALA N N 15 123.463 0.300 . 1 . . . . 79 ALA N . 10259 1 863 . 1 1 80 80 VAL H H 1 8.228 0.030 . 1 . . . . 80 VAL H . 10259 1 864 . 1 1 80 80 VAL HA H 1 3.510 0.030 . 1 . . . . 80 VAL HA . 10259 1 865 . 1 1 80 80 VAL HB H 1 2.066 0.030 . 1 . . . . 80 VAL HB . 10259 1 866 . 1 1 80 80 VAL HG11 H 1 0.885 0.030 . 1 . . . . 80 VAL HG1 . 10259 1 867 . 1 1 80 80 VAL HG12 H 1 0.885 0.030 . 1 . . . . 80 VAL HG1 . 10259 1 868 . 1 1 80 80 VAL HG13 H 1 0.885 0.030 . 1 . . . . 80 VAL HG1 . 10259 1 869 . 1 1 80 80 VAL HG21 H 1 0.945 0.030 . 1 . . . . 80 VAL HG2 . 10259 1 870 . 1 1 80 80 VAL HG22 H 1 0.945 0.030 . 1 . . . . 80 VAL HG2 . 10259 1 871 . 1 1 80 80 VAL HG23 H 1 0.945 0.030 . 1 . . . . 80 VAL HG2 . 10259 1 872 . 1 1 80 80 VAL C C 13 179.087 0.300 . 1 . . . . 80 VAL C . 10259 1 873 . 1 1 80 80 VAL CA C 13 66.912 0.300 . 1 . . . . 80 VAL CA . 10259 1 874 . 1 1 80 80 VAL CB C 13 31.781 0.300 . 1 . . . . 80 VAL CB . 10259 1 875 . 1 1 80 80 VAL CG1 C 13 22.739 0.300 . 2 . . . . 80 VAL CG1 . 10259 1 876 . 1 1 80 80 VAL CG2 C 13 21.371 0.300 . 2 . . . . 80 VAL CG2 . 10259 1 877 . 1 1 80 80 VAL N N 15 116.720 0.300 . 1 . . . . 80 VAL N . 10259 1 878 . 1 1 81 81 GLU H H 1 7.834 0.030 . 1 . . . . 81 GLU H . 10259 1 879 . 1 1 81 81 GLU HA H 1 4.195 0.030 . 1 . . . . 81 GLU HA . 10259 1 880 . 1 1 81 81 GLU HB2 H 1 2.138 0.030 . 1 . . . . 81 GLU HB2 . 10259 1 881 . 1 1 81 81 GLU HB3 H 1 2.138 0.030 . 1 . . . . 81 GLU HB3 . 10259 1 882 . 1 1 81 81 GLU HG2 H 1 2.359 0.030 . 1 . . . . 81 GLU HG2 . 10259 1 883 . 1 1 81 81 GLU HG3 H 1 2.359 0.030 . 1 . . . . 81 GLU HG3 . 10259 1 884 . 1 1 81 81 GLU C C 13 178.847 0.300 . 1 . . . . 81 GLU C . 10259 1 885 . 1 1 81 81 GLU CA C 13 59.100 0.300 . 1 . . . . 81 GLU CA . 10259 1 886 . 1 1 81 81 GLU CB C 13 28.818 0.300 . 1 . . . . 81 GLU CB . 10259 1 887 . 1 1 81 81 GLU CG C 13 35.650 0.300 . 1 . . . . 81 GLU CG . 10259 1 888 . 1 1 81 81 GLU N N 15 121.198 0.300 . 1 . . . . 81 GLU N . 10259 1 889 . 1 1 82 82 ARG H H 1 8.004 0.030 . 1 . . . . 82 ARG H . 10259 1 890 . 1 1 82 82 ARG HA H 1 4.021 0.030 . 1 . . . . 82 ARG HA . 10259 1 891 . 1 1 82 82 ARG HB2 H 1 1.992 0.030 . 2 . . . . 82 ARG HB2 . 10259 1 892 . 1 1 82 82 ARG HB3 H 1 1.889 0.030 . 2 . . . . 82 ARG HB3 . 10259 1 893 . 1 1 82 82 ARG HD2 H 1 3.123 0.030 . 2 . . . . 82 ARG HD2 . 10259 1 894 . 1 1 82 82 ARG HD3 H 1 3.021 0.030 . 2 . . . . 82 ARG HD3 . 10259 1 895 . 1 1 82 82 ARG HG2 H 1 1.859 0.030 . 2 . . . . 82 ARG HG2 . 10259 1 896 . 1 1 82 82 ARG HG3 H 1 1.673 0.030 . 2 . . . . 82 ARG HG3 . 10259 1 897 . 1 1 82 82 ARG C C 13 179.863 0.300 . 1 . . . . 82 ARG C . 10259 1 898 . 1 1 82 82 ARG CA C 13 58.487 0.300 . 1 . . . . 82 ARG CA . 10259 1 899 . 1 1 82 82 ARG CB C 13 29.026 0.300 . 1 . . . . 82 ARG CB . 10259 1 900 . 1 1 82 82 ARG CD C 13 42.377 0.300 . 1 . . . . 82 ARG CD . 10259 1 901 . 1 1 82 82 ARG CG C 13 27.213 0.300 . 1 . . . . 82 ARG CG . 10259 1 902 . 1 1 82 82 ARG N N 15 119.267 0.300 . 1 . . . . 82 ARG N . 10259 1 903 . 1 1 83 83 ILE H H 1 7.875 0.030 . 1 . . . . 83 ILE H . 10259 1 904 . 1 1 83 83 ILE HA H 1 3.467 0.030 . 1 . . . . 83 ILE HA . 10259 1 905 . 1 1 83 83 ILE HB H 1 2.057 0.030 . 1 . . . . 83 ILE HB . 10259 1 906 . 1 1 83 83 ILE HD11 H 1 0.730 0.030 . 1 . . . . 83 ILE HD1 . 10259 1 907 . 1 1 83 83 ILE HD12 H 1 0.730 0.030 . 1 . . . . 83 ILE HD1 . 10259 1 908 . 1 1 83 83 ILE HD13 H 1 0.730 0.030 . 1 . . . . 83 ILE HD1 . 10259 1 909 . 1 1 83 83 ILE HG12 H 1 1.898 0.030 . 2 . . . . 83 ILE HG12 . 10259 1 910 . 1 1 83 83 ILE HG13 H 1 0.822 0.030 . 2 . . . . 83 ILE HG13 . 10259 1 911 . 1 1 83 83 ILE HG21 H 1 1.004 0.030 . 1 . . . . 83 ILE HG2 . 10259 1 912 . 1 1 83 83 ILE HG22 H 1 1.004 0.030 . 1 . . . . 83 ILE HG2 . 10259 1 913 . 1 1 83 83 ILE HG23 H 1 1.004 0.030 . 1 . . . . 83 ILE HG2 . 10259 1 914 . 1 1 83 83 ILE C C 13 179.211 0.300 . 1 . . . . 83 ILE C . 10259 1 915 . 1 1 83 83 ILE CA C 13 65.491 0.300 . 1 . . . . 83 ILE CA . 10259 1 916 . 1 1 83 83 ILE CB C 13 38.055 0.300 . 1 . . . . 83 ILE CB . 10259 1 917 . 1 1 83 83 ILE CD1 C 13 13.117 0.300 . 1 . . . . 83 ILE CD1 . 10259 1 918 . 1 1 83 83 ILE CG1 C 13 29.231 0.300 . 1 . . . . 83 ILE CG1 . 10259 1 919 . 1 1 83 83 ILE CG2 C 13 18.222 0.300 . 1 . . . . 83 ILE CG2 . 10259 1 920 . 1 1 83 83 ILE N N 15 120.039 0.300 . 1 . . . . 83 ILE N . 10259 1 921 . 1 1 84 84 ARG H H 1 8.207 0.030 . 1 . . . . 84 ARG H . 10259 1 922 . 1 1 84 84 ARG HA H 1 4.125 0.030 . 1 . . . . 84 ARG HA . 10259 1 923 . 1 1 84 84 ARG HB2 H 1 2.027 0.030 . 2 . . . . 84 ARG HB2 . 10259 1 924 . 1 1 84 84 ARG HB3 H 1 1.985 0.030 . 2 . . . . 84 ARG HB3 . 10259 1 925 . 1 1 84 84 ARG HD2 H 1 3.280 0.030 . 2 . . . . 84 ARG HD2 . 10259 1 926 . 1 1 84 84 ARG HD3 H 1 3.171 0.030 . 2 . . . . 84 ARG HD3 . 10259 1 927 . 1 1 84 84 ARG HG2 H 1 1.828 0.030 . 2 . . . . 84 ARG HG2 . 10259 1 928 . 1 1 84 84 ARG HG3 H 1 1.682 0.030 . 2 . . . . 84 ARG HG3 . 10259 1 929 . 1 1 84 84 ARG C C 13 179.062 0.300 . 1 . . . . 84 ARG C . 10259 1 930 . 1 1 84 84 ARG CA C 13 59.643 0.300 . 1 . . . . 84 ARG CA . 10259 1 931 . 1 1 84 84 ARG CB C 13 30.197 0.300 . 1 . . . . 84 ARG CB . 10259 1 932 . 1 1 84 84 ARG CD C 13 43.224 0.300 . 1 . . . . 84 ARG CD . 10259 1 933 . 1 1 84 84 ARG CG C 13 27.241 0.300 . 1 . . . . 84 ARG CG . 10259 1 934 . 1 1 84 84 ARG N N 15 121.315 0.300 . 1 . . . . 84 ARG N . 10259 1 935 . 1 1 85 85 ALA H H 1 8.366 0.030 . 1 . . . . 85 ALA H . 10259 1 936 . 1 1 85 85 ALA HA H 1 4.241 0.030 . 1 . . . . 85 ALA HA . 10259 1 937 . 1 1 85 85 ALA HB1 H 1 1.517 0.030 . 1 . . . . 85 ALA HB . 10259 1 938 . 1 1 85 85 ALA HB2 H 1 1.517 0.030 . 1 . . . . 85 ALA HB . 10259 1 939 . 1 1 85 85 ALA HB3 H 1 1.517 0.030 . 1 . . . . 85 ALA HB . 10259 1 940 . 1 1 85 85 ALA C C 13 179.042 0.300 . 1 . . . . 85 ALA C . 10259 1 941 . 1 1 85 85 ALA CA C 13 53.695 0.300 . 1 . . . . 85 ALA CA . 10259 1 942 . 1 1 85 85 ALA CB C 13 18.806 0.300 . 1 . . . . 85 ALA CB . 10259 1 943 . 1 1 85 85 ALA N N 15 120.166 0.300 . 1 . . . . 85 ALA N . 10259 1 944 . 1 1 86 86 GLY H H 1 7.470 0.030 . 1 . . . . 86 GLY H . 10259 1 945 . 1 1 86 86 GLY HA2 H 1 4.134 0.030 . 1 . . . . 86 GLY HA2 . 10259 1 946 . 1 1 86 86 GLY HA3 H 1 4.134 0.030 . 1 . . . . 86 GLY HA3 . 10259 1 947 . 1 1 86 86 GLY C C 13 174.699 0.300 . 1 . . . . 86 GLY C . 10259 1 948 . 1 1 86 86 GLY CA C 13 45.902 0.300 . 1 . . . . 86 GLY CA . 10259 1 949 . 1 1 86 86 GLY N N 15 104.067 0.300 . 1 . . . . 86 GLY N . 10259 1 950 . 1 1 87 87 GLY H H 1 7.688 0.030 . 1 . . . . 87 GLY H . 10259 1 951 . 1 1 87 87 GLY HA2 H 1 4.528 0.030 . 2 . . . . 87 GLY HA2 . 10259 1 952 . 1 1 87 87 GLY HA3 H 1 3.835 0.030 . 2 . . . . 87 GLY HA3 . 10259 1 953 . 1 1 87 87 GLY C C 13 173.611 0.300 . 1 . . . . 87 GLY C . 10259 1 954 . 1 1 87 87 GLY CA C 13 44.677 0.300 . 1 . . . . 87 GLY CA . 10259 1 955 . 1 1 87 87 GLY N N 15 107.458 0.300 . 1 . . . . 87 GLY N . 10259 1 956 . 1 1 88 88 PRO HA H 1 4.306 0.030 . 1 . . . . 88 PRO HA . 10259 1 957 . 1 1 88 88 PRO HB2 H 1 2.246 0.030 . 1 . . . . 88 PRO HB2 . 10259 1 958 . 1 1 88 88 PRO HB3 H 1 2.246 0.030 . 1 . . . . 88 PRO HB3 . 10259 1 959 . 1 1 88 88 PRO HD2 H 1 4.069 0.030 . 2 . . . . 88 PRO HD2 . 10259 1 960 . 1 1 88 88 PRO HD3 H 1 3.678 0.030 . 2 . . . . 88 PRO HD3 . 10259 1 961 . 1 1 88 88 PRO HG2 H 1 2.075 0.030 . 1 . . . . 88 PRO HG2 . 10259 1 962 . 1 1 88 88 PRO HG3 H 1 2.075 0.030 . 1 . . . . 88 PRO HG3 . 10259 1 963 . 1 1 88 88 PRO C C 13 175.247 0.300 . 1 . . . . 88 PRO C . 10259 1 964 . 1 1 88 88 PRO CA C 13 64.596 0.300 . 1 . . . . 88 PRO CA . 10259 1 965 . 1 1 88 88 PRO CB C 13 32.405 0.300 . 1 . . . . 88 PRO CB . 10259 1 966 . 1 1 88 88 PRO CD C 13 50.456 0.300 . 1 . . . . 88 PRO CD . 10259 1 967 . 1 1 88 88 PRO CG C 13 26.884 0.300 . 1 . . . . 88 PRO CG . 10259 1 968 . 1 1 89 89 GLN H H 1 7.606 0.030 . 1 . . . . 89 GLN H . 10259 1 969 . 1 1 89 89 GLN HA H 1 5.343 0.030 . 1 . . . . 89 GLN HA . 10259 1 970 . 1 1 89 89 GLN HB2 H 1 2.052 0.030 . 1 . . . . 89 GLN HB2 . 10259 1 971 . 1 1 89 89 GLN HB3 H 1 2.052 0.030 . 1 . . . . 89 GLN HB3 . 10259 1 972 . 1 1 89 89 GLN HE21 H 1 7.427 0.030 . 2 . . . . 89 GLN HE21 . 10259 1 973 . 1 1 89 89 GLN HE22 H 1 6.810 0.030 . 2 . . . . 89 GLN HE22 . 10259 1 974 . 1 1 89 89 GLN HG2 H 1 2.307 0.030 . 1 . . . . 89 GLN HG2 . 10259 1 975 . 1 1 89 89 GLN HG3 H 1 2.307 0.030 . 1 . . . . 89 GLN HG3 . 10259 1 976 . 1 1 89 89 GLN C C 13 173.750 0.300 . 1 . . . . 89 GLN C . 10259 1 977 . 1 1 89 89 GLN CA C 13 54.626 0.300 . 1 . . . . 89 GLN CA . 10259 1 978 . 1 1 89 89 GLN CB C 13 31.870 0.300 . 1 . . . . 89 GLN CB . 10259 1 979 . 1 1 89 89 GLN CG C 13 34.459 0.300 . 1 . . . . 89 GLN CG . 10259 1 980 . 1 1 89 89 GLN N N 15 116.964 0.300 . 1 . . . . 89 GLN N . 10259 1 981 . 1 1 89 89 GLN NE2 N 15 111.376 0.300 . 1 . . . . 89 GLN NE2 . 10259 1 982 . 1 1 90 90 LEU H H 1 8.610 0.030 . 1 . . . . 90 LEU H . 10259 1 983 . 1 1 90 90 LEU HA H 1 4.757 0.030 . 1 . . . . 90 LEU HA . 10259 1 984 . 1 1 90 90 LEU HB2 H 1 0.845 0.030 . 2 . . . . 90 LEU HB2 . 10259 1 985 . 1 1 90 90 LEU HB3 H 1 0.356 0.030 . 2 . . . . 90 LEU HB3 . 10259 1 986 . 1 1 90 90 LEU HD11 H 1 0.106 0.030 . 1 . . . . 90 LEU HD1 . 10259 1 987 . 1 1 90 90 LEU HD12 H 1 0.106 0.030 . 1 . . . . 90 LEU HD1 . 10259 1 988 . 1 1 90 90 LEU HD13 H 1 0.106 0.030 . 1 . . . . 90 LEU HD1 . 10259 1 989 . 1 1 90 90 LEU HD21 H 1 0.763 0.030 . 1 . . . . 90 LEU HD2 . 10259 1 990 . 1 1 90 90 LEU HD22 H 1 0.763 0.030 . 1 . . . . 90 LEU HD2 . 10259 1 991 . 1 1 90 90 LEU HD23 H 1 0.763 0.030 . 1 . . . . 90 LEU HD2 . 10259 1 992 . 1 1 90 90 LEU HG H 1 0.937 0.030 . 1 . . . . 90 LEU HG . 10259 1 993 . 1 1 90 90 LEU C C 13 173.607 0.300 . 1 . . . . 90 LEU C . 10259 1 994 . 1 1 90 90 LEU CA C 13 53.730 0.300 . 1 . . . . 90 LEU CA . 10259 1 995 . 1 1 90 90 LEU CB C 13 45.549 0.300 . 1 . . . . 90 LEU CB . 10259 1 996 . 1 1 90 90 LEU CD1 C 13 25.946 0.300 . 2 . . . . 90 LEU CD1 . 10259 1 997 . 1 1 90 90 LEU CD2 C 13 24.416 0.300 . 2 . . . . 90 LEU CD2 . 10259 1 998 . 1 1 90 90 LEU CG C 13 27.152 0.300 . 1 . . . . 90 LEU CG . 10259 1 999 . 1 1 90 90 LEU N N 15 124.460 0.300 . 1 . . . . 90 LEU N . 10259 1 1000 . 1 1 91 91 HIS H H 1 8.826 0.030 . 1 . . . . 91 HIS H . 10259 1 1001 . 1 1 91 91 HIS HA H 1 5.207 0.030 . 1 . . . . 91 HIS HA . 10259 1 1002 . 1 1 91 91 HIS HB2 H 1 3.091 0.030 . 1 . . . . 91 HIS HB2 . 10259 1 1003 . 1 1 91 91 HIS HB3 H 1 3.091 0.030 . 1 . . . . 91 HIS HB3 . 10259 1 1004 . 1 1 91 91 HIS HD2 H 1 6.981 0.030 . 1 . . . . 91 HIS HD2 . 10259 1 1005 . 1 1 91 91 HIS HE1 H 1 7.598 0.030 . 1 . . . . 91 HIS HE1 . 10259 1 1006 . 1 1 91 91 HIS C C 13 174.745 0.300 . 1 . . . . 91 HIS C . 10259 1 1007 . 1 1 91 91 HIS CA C 13 55.093 0.300 . 1 . . . . 91 HIS CA . 10259 1 1008 . 1 1 91 91 HIS CB C 13 32.686 0.300 . 1 . . . . 91 HIS CB . 10259 1 1009 . 1 1 91 91 HIS CD2 C 13 118.541 0.300 . 1 . . . . 91 HIS CD2 . 10259 1 1010 . 1 1 91 91 HIS CE1 C 13 137.955 0.300 . 1 . . . . 91 HIS CE1 . 10259 1 1011 . 1 1 91 91 HIS N N 15 126.871 0.300 . 1 . . . . 91 HIS N . 10259 1 1012 . 1 1 92 92 LEU H H 1 9.024 0.030 . 1 . . . . 92 LEU H . 10259 1 1013 . 1 1 92 92 LEU HA H 1 5.203 0.030 . 1 . . . . 92 LEU HA . 10259 1 1014 . 1 1 92 92 LEU HB2 H 1 1.662 0.030 . 2 . . . . 92 LEU HB2 . 10259 1 1015 . 1 1 92 92 LEU HB3 H 1 1.216 0.030 . 2 . . . . 92 LEU HB3 . 10259 1 1016 . 1 1 92 92 LEU HD11 H 1 0.605 0.030 . 1 . . . . 92 LEU HD1 . 10259 1 1017 . 1 1 92 92 LEU HD12 H 1 0.605 0.030 . 1 . . . . 92 LEU HD1 . 10259 1 1018 . 1 1 92 92 LEU HD13 H 1 0.605 0.030 . 1 . . . . 92 LEU HD1 . 10259 1 1019 . 1 1 92 92 LEU HD21 H 1 0.764 0.030 . 1 . . . . 92 LEU HD2 . 10259 1 1020 . 1 1 92 92 LEU HD22 H 1 0.764 0.030 . 1 . . . . 92 LEU HD2 . 10259 1 1021 . 1 1 92 92 LEU HD23 H 1 0.764 0.030 . 1 . . . . 92 LEU HD2 . 10259 1 1022 . 1 1 92 92 LEU HG H 1 1.385 0.030 . 1 . . . . 92 LEU HG . 10259 1 1023 . 1 1 92 92 LEU C C 13 175.889 0.300 . 1 . . . . 92 LEU C . 10259 1 1024 . 1 1 92 92 LEU CA C 13 52.955 0.300 . 1 . . . . 92 LEU CA . 10259 1 1025 . 1 1 92 92 LEU CB C 13 46.233 0.300 . 1 . . . . 92 LEU CB . 10259 1 1026 . 1 1 92 92 LEU CD1 C 13 26.059 0.300 . 2 . . . . 92 LEU CD1 . 10259 1 1027 . 1 1 92 92 LEU CD2 C 13 24.693 0.300 . 2 . . . . 92 LEU CD2 . 10259 1 1028 . 1 1 92 92 LEU CG C 13 26.734 0.300 . 1 . . . . 92 LEU CG . 10259 1 1029 . 1 1 92 92 LEU N N 15 125.837 0.300 . 1 . . . . 92 LEU N . 10259 1 1030 . 1 1 93 93 VAL H H 1 7.739 0.030 . 1 . . . . 93 VAL H . 10259 1 1031 . 1 1 93 93 VAL HA H 1 4.568 0.030 . 1 . . . . 93 VAL HA . 10259 1 1032 . 1 1 93 93 VAL HB H 1 1.878 0.030 . 1 . . . . 93 VAL HB . 10259 1 1033 . 1 1 93 93 VAL HG11 H 1 0.800 0.030 . 1 . . . . 93 VAL HG1 . 10259 1 1034 . 1 1 93 93 VAL HG12 H 1 0.800 0.030 . 1 . . . . 93 VAL HG1 . 10259 1 1035 . 1 1 93 93 VAL HG13 H 1 0.800 0.030 . 1 . . . . 93 VAL HG1 . 10259 1 1036 . 1 1 93 93 VAL HG21 H 1 0.863 0.030 . 1 . . . . 93 VAL HG2 . 10259 1 1037 . 1 1 93 93 VAL HG22 H 1 0.863 0.030 . 1 . . . . 93 VAL HG2 . 10259 1 1038 . 1 1 93 93 VAL HG23 H 1 0.863 0.030 . 1 . . . . 93 VAL HG2 . 10259 1 1039 . 1 1 93 93 VAL C C 13 174.538 0.300 . 1 . . . . 93 VAL C . 10259 1 1040 . 1 1 93 93 VAL CA C 13 62.666 0.300 . 1 . . . . 93 VAL CA . 10259 1 1041 . 1 1 93 93 VAL CB C 13 32.838 0.300 . 1 . . . . 93 VAL CB . 10259 1 1042 . 1 1 93 93 VAL CG1 C 13 21.518 0.300 . 2 . . . . 93 VAL CG1 . 10259 1 1043 . 1 1 93 93 VAL CG2 C 13 20.760 0.300 . 2 . . . . 93 VAL CG2 . 10259 1 1044 . 1 1 93 93 VAL N N 15 120.566 0.300 . 1 . . . . 93 VAL N . 10259 1 1045 . 1 1 94 94 ILE H H 1 8.965 0.030 . 1 . . . . 94 ILE H . 10259 1 1046 . 1 1 94 94 ILE HA H 1 5.152 0.030 . 1 . . . . 94 ILE HA . 10259 1 1047 . 1 1 94 94 ILE HB H 1 0.524 0.030 . 1 . . . . 94 ILE HB . 10259 1 1048 . 1 1 94 94 ILE HD11 H 1 0.551 0.030 . 1 . . . . 94 ILE HD1 . 10259 1 1049 . 1 1 94 94 ILE HD12 H 1 0.551 0.030 . 1 . . . . 94 ILE HD1 . 10259 1 1050 . 1 1 94 94 ILE HD13 H 1 0.551 0.030 . 1 . . . . 94 ILE HD1 . 10259 1 1051 . 1 1 94 94 ILE HG12 H 1 1.031 0.030 . 2 . . . . 94 ILE HG12 . 10259 1 1052 . 1 1 94 94 ILE HG13 H 1 0.906 0.030 . 2 . . . . 94 ILE HG13 . 10259 1 1053 . 1 1 94 94 ILE HG21 H 1 0.619 0.030 . 1 . . . . 94 ILE HG2 . 10259 1 1054 . 1 1 94 94 ILE HG22 H 1 0.619 0.030 . 1 . . . . 94 ILE HG2 . 10259 1 1055 . 1 1 94 94 ILE HG23 H 1 0.619 0.030 . 1 . . . . 94 ILE HG2 . 10259 1 1056 . 1 1 94 94 ILE C C 13 174.723 0.300 . 1 . . . . 94 ILE C . 10259 1 1057 . 1 1 94 94 ILE CA C 13 56.360 0.300 . 1 . . . . 94 ILE CA . 10259 1 1058 . 1 1 94 94 ILE CB C 13 39.214 0.300 . 1 . . . . 94 ILE CB . 10259 1 1059 . 1 1 94 94 ILE CD1 C 13 11.986 0.300 . 1 . . . . 94 ILE CD1 . 10259 1 1060 . 1 1 94 94 ILE CG1 C 13 26.244 0.300 . 1 . . . . 94 ILE CG1 . 10259 1 1061 . 1 1 94 94 ILE CG2 C 13 20.208 0.300 . 1 . . . . 94 ILE CG2 . 10259 1 1062 . 1 1 94 94 ILE N N 15 128.952 0.300 . 1 . . . . 94 ILE N . 10259 1 1063 . 1 1 95 95 ARG H H 1 8.286 0.030 . 1 . . . . 95 ARG H . 10259 1 1064 . 1 1 95 95 ARG HA H 1 4.715 0.030 . 1 . . . . 95 ARG HA . 10259 1 1065 . 1 1 95 95 ARG HB2 H 1 1.590 0.030 . 1 . . . . 95 ARG HB2 . 10259 1 1066 . 1 1 95 95 ARG HB3 H 1 1.590 0.030 . 1 . . . . 95 ARG HB3 . 10259 1 1067 . 1 1 95 95 ARG HD2 H 1 3.221 0.030 . 2 . . . . 95 ARG HD2 . 10259 1 1068 . 1 1 95 95 ARG HD3 H 1 3.121 0.030 . 2 . . . . 95 ARG HD3 . 10259 1 1069 . 1 1 95 95 ARG HG2 H 1 1.480 0.030 . 2 . . . . 95 ARG HG2 . 10259 1 1070 . 1 1 95 95 ARG HG3 H 1 1.283 0.030 . 2 . . . . 95 ARG HG3 . 10259 1 1071 . 1 1 95 95 ARG C C 13 173.665 0.300 . 1 . . . . 95 ARG C . 10259 1 1072 . 1 1 95 95 ARG CA C 13 54.982 0.300 . 1 . . . . 95 ARG CA . 10259 1 1073 . 1 1 95 95 ARG CB C 13 34.833 0.300 . 1 . . . . 95 ARG CB . 10259 1 1074 . 1 1 95 95 ARG CD C 13 43.744 0.300 . 1 . . . . 95 ARG CD . 10259 1 1075 . 1 1 95 95 ARG CG C 13 27.777 0.300 . 1 . . . . 95 ARG CG . 10259 1 1076 . 1 1 95 95 ARG N N 15 120.920 0.300 . 1 . . . . 95 ARG N . 10259 1 1077 . 1 1 96 96 ARG H H 1 9.238 0.030 . 1 . . . . 96 ARG H . 10259 1 1078 . 1 1 96 96 ARG HA H 1 4.984 0.030 . 1 . . . . 96 ARG HA . 10259 1 1079 . 1 1 96 96 ARG HB2 H 1 2.023 0.030 . 2 . . . . 96 ARG HB2 . 10259 1 1080 . 1 1 96 96 ARG HB3 H 1 1.788 0.030 . 2 . . . . 96 ARG HB3 . 10259 1 1081 . 1 1 96 96 ARG HD2 H 1 3.286 0.030 . 2 . . . . 96 ARG HD2 . 10259 1 1082 . 1 1 96 96 ARG HD3 H 1 3.031 0.030 . 2 . . . . 96 ARG HD3 . 10259 1 1083 . 1 1 96 96 ARG HE H 1 9.569 0.030 . 1 . . . . 96 ARG HE . 10259 1 1084 . 1 1 96 96 ARG HG2 H 1 1.712 0.030 . 2 . . . . 96 ARG HG2 . 10259 1 1085 . 1 1 96 96 ARG HG3 H 1 1.611 0.030 . 2 . . . . 96 ARG HG3 . 10259 1 1086 . 1 1 96 96 ARG C C 13 174.582 0.300 . 1 . . . . 96 ARG C . 10259 1 1087 . 1 1 96 96 ARG CA C 13 53.219 0.300 . 1 . . . . 96 ARG CA . 10259 1 1088 . 1 1 96 96 ARG CB C 13 31.369 0.300 . 1 . . . . 96 ARG CB . 10259 1 1089 . 1 1 96 96 ARG CD C 13 43.133 0.300 . 1 . . . . 96 ARG CD . 10259 1 1090 . 1 1 96 96 ARG CG C 13 25.818 0.300 . 1 . . . . 96 ARG CG . 10259 1 1091 . 1 1 96 96 ARG N N 15 129.955 0.300 . 1 . . . . 96 ARG N . 10259 1 1092 . 1 1 96 96 ARG NE N 15 85.546 0.300 . 1 . . . . 96 ARG NE . 10259 1 1093 . 1 1 97 97 PRO HA H 1 4.424 0.030 . 1 . . . . 97 PRO HA . 10259 1 1094 . 1 1 97 97 PRO HB2 H 1 2.266 0.030 . 2 . . . . 97 PRO HB2 . 10259 1 1095 . 1 1 97 97 PRO HB3 H 1 1.982 0.030 . 2 . . . . 97 PRO HB3 . 10259 1 1096 . 1 1 97 97 PRO HD2 H 1 4.255 0.030 . 2 . . . . 97 PRO HD2 . 10259 1 1097 . 1 1 97 97 PRO HD3 H 1 3.880 0.030 . 2 . . . . 97 PRO HD3 . 10259 1 1098 . 1 1 97 97 PRO HG2 H 1 2.122 0.030 . 2 . . . . 97 PRO HG2 . 10259 1 1099 . 1 1 97 97 PRO HG3 H 1 1.941 0.030 . 2 . . . . 97 PRO HG3 . 10259 1 1100 . 1 1 97 97 PRO C C 13 176.289 0.300 . 1 . . . . 97 PRO C . 10259 1 1101 . 1 1 97 97 PRO CA C 13 63.322 0.300 . 1 . . . . 97 PRO CA . 10259 1 1102 . 1 1 97 97 PRO CB C 13 32.240 0.300 . 1 . . . . 97 PRO CB . 10259 1 1103 . 1 1 97 97 PRO CD C 13 51.961 0.300 . 1 . . . . 97 PRO CD . 10259 1 1104 . 1 1 97 97 PRO CG C 13 27.478 0.300 . 1 . . . . 97 PRO CG . 10259 1 1105 . 1 1 98 98 LEU H H 1 8.325 0.030 . 1 . . . . 98 LEU H . 10259 1 1106 . 1 1 98 98 LEU HA H 1 4.399 0.030 . 1 . . . . 98 LEU HA . 10259 1 1107 . 1 1 98 98 LEU HB2 H 1 1.675 0.030 . 1 . . . . 98 LEU HB2 . 10259 1 1108 . 1 1 98 98 LEU HB3 H 1 1.675 0.030 . 1 . . . . 98 LEU HB3 . 10259 1 1109 . 1 1 98 98 LEU HD11 H 1 0.941 0.030 . 1 . . . . 98 LEU HD1 . 10259 1 1110 . 1 1 98 98 LEU HD12 H 1 0.941 0.030 . 1 . . . . 98 LEU HD1 . 10259 1 1111 . 1 1 98 98 LEU HD13 H 1 0.941 0.030 . 1 . . . . 98 LEU HD1 . 10259 1 1112 . 1 1 98 98 LEU HD21 H 1 0.905 0.030 . 1 . . . . 98 LEU HD2 . 10259 1 1113 . 1 1 98 98 LEU HD22 H 1 0.905 0.030 . 1 . . . . 98 LEU HD2 . 10259 1 1114 . 1 1 98 98 LEU HD23 H 1 0.905 0.030 . 1 . . . . 98 LEU HD2 . 10259 1 1115 . 1 1 98 98 LEU HG H 1 1.690 0.030 . 1 . . . . 98 LEU HG . 10259 1 1116 . 1 1 98 98 LEU C C 13 177.395 0.300 . 1 . . . . 98 LEU C . 10259 1 1117 . 1 1 98 98 LEU CA C 13 55.165 0.300 . 1 . . . . 98 LEU CA . 10259 1 1118 . 1 1 98 98 LEU CB C 13 42.419 0.300 . 1 . . . . 98 LEU CB . 10259 1 1119 . 1 1 98 98 LEU CD1 C 13 25.070 0.300 . 2 . . . . 98 LEU CD1 . 10259 1 1120 . 1 1 98 98 LEU CD2 C 13 23.569 0.300 . 2 . . . . 98 LEU CD2 . 10259 1 1121 . 1 1 98 98 LEU CG C 13 27.131 0.300 . 1 . . . . 98 LEU CG . 10259 1 1122 . 1 1 98 98 LEU N N 15 122.396 0.300 . 1 . . . . 98 LEU N . 10259 1 1123 . 1 1 99 99 SER H H 1 8.333 0.030 . 1 . . . . 99 SER H . 10259 1 1124 . 1 1 99 99 SER HA H 1 4.483 0.030 . 1 . . . . 99 SER HA . 10259 1 1125 . 1 1 99 99 SER HB2 H 1 3.871 0.030 . 1 . . . . 99 SER HB2 . 10259 1 1126 . 1 1 99 99 SER HB3 H 1 3.871 0.030 . 1 . . . . 99 SER HB3 . 10259 1 1127 . 1 1 99 99 SER C C 13 174.489 0.300 . 1 . . . . 99 SER C . 10259 1 1128 . 1 1 99 99 SER CA C 13 58.138 0.300 . 1 . . . . 99 SER CA . 10259 1 1129 . 1 1 99 99 SER CB C 13 63.846 0.300 . 1 . . . . 99 SER CB . 10259 1 1130 . 1 1 99 99 SER N N 15 116.892 0.300 . 1 . . . . 99 SER N . 10259 1 1131 . 1 1 100 100 GLY H H 1 8.253 0.030 . 1 . . . . 100 GLY H . 10259 1 1132 . 1 1 100 100 GLY HA2 H 1 4.177 0.030 . 2 . . . . 100 GLY HA2 . 10259 1 1133 . 1 1 100 100 GLY HA3 H 1 4.101 0.030 . 2 . . . . 100 GLY HA3 . 10259 1 1134 . 1 1 100 100 GLY C C 13 171.838 0.300 . 1 . . . . 100 GLY C . 10259 1 1135 . 1 1 100 100 GLY CA C 13 44.679 0.300 . 1 . . . . 100 GLY CA . 10259 1 1136 . 1 1 100 100 GLY N N 15 110.703 0.300 . 1 . . . . 100 GLY N . 10259 1 1137 . 1 1 101 101 PRO HA H 1 4.480 0.030 . 1 . . . . 101 PRO HA . 10259 1 1138 . 1 1 101 101 PRO HB2 H 1 2.309 0.030 . 2 . . . . 101 PRO HB2 . 10259 1 1139 . 1 1 101 101 PRO HB3 H 1 1.982 0.030 . 2 . . . . 101 PRO HB3 . 10259 1 1140 . 1 1 101 101 PRO HD2 H 1 3.637 0.030 . 1 . . . . 101 PRO HD2 . 10259 1 1141 . 1 1 101 101 PRO HD3 H 1 3.637 0.030 . 1 . . . . 101 PRO HD3 . 10259 1 1142 . 1 1 101 101 PRO HG2 H 1 2.018 0.030 . 1 . . . . 101 PRO HG2 . 10259 1 1143 . 1 1 101 101 PRO HG3 H 1 2.018 0.030 . 1 . . . . 101 PRO HG3 . 10259 1 1144 . 1 1 101 101 PRO C C 13 177.411 0.300 . 1 . . . . 101 PRO C . 10259 1 1145 . 1 1 101 101 PRO CA C 13 63.312 0.300 . 1 . . . . 101 PRO CA . 10259 1 1146 . 1 1 101 101 PRO CB C 13 32.158 0.300 . 1 . . . . 101 PRO CB . 10259 1 1147 . 1 1 101 101 PRO CD C 13 49.821 0.300 . 1 . . . . 101 PRO CD . 10259 1 1148 . 1 1 101 101 PRO CG C 13 27.171 0.300 . 1 . . . . 101 PRO CG . 10259 1 1149 . 1 1 102 102 SER H H 1 8.517 0.030 . 1 . . . . 102 SER H . 10259 1 1150 . 1 1 102 102 SER C C 13 174.655 0.300 . 1 . . . . 102 SER C . 10259 1 1151 . 1 1 102 102 SER CA C 13 58.438 0.300 . 1 . . . . 102 SER CA . 10259 1 1152 . 1 1 102 102 SER CB C 13 63.970 0.300 . 1 . . . . 102 SER CB . 10259 1 1153 . 1 1 102 102 SER N N 15 116.330 0.300 . 1 . . . . 102 SER N . 10259 1 stop_ save_