data_11262 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11262 _Entry.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain in the 4931431F19Rik Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-18 _Entry.Original_release_date 2011-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Zhao . . . 11262 2 T. Tomizawa . . . 11262 3 S. Koshiba . . . 11262 4 M. Inoue . . . 11262 5 T. Kigawa . . . 11262 6 S. Yokoyama . . . 11262 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11262 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11262 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 11262 '15N chemical shifts' 85 11262 '1H chemical shifts' 600 11262 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-18 2010-08-09 original author . 11262 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WX8 'BMRB Entry Tracking System' 11262 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11262 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the N-terminal Ubiquitin-like Domain in the 4931431F19Rik Protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Zhao . . . 11262 1 2 T. Tomizawa . . . 11262 1 3 S. Koshiba . . . 11262 1 4 M. Inoue . . . 11262 1 5 T. Kigawa . . . 11262 1 6 S. Yokoyama . . . 11262 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11262 _Assembly.ID 1 _Assembly.Name 'RIKEN cDNA 4931431F19' _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 'ubiquitin-like domain' 1 $entity_1 A . yes native no no . . . 11262 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1wx8 . . . . . . 11262 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11262 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ubiquitin-like domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGVSGREPSSRIIRV SVKTPQDCHEFFLAENSNVR RFKKQISKYLHCNADRLVLI FTGKILRDQDILSQRGILDG STVHVVVRSHSGPSSG ; _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 96 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WX8 . "Solution Structure Of The N-Terminal Ubiquitin-Like Domain In The 4931431f19rik Protein" . . . . . 100.00 96 100.00 100.00 9.65e-61 . . . . 11262 1 2 no DBJ BAB30272 . "unnamed protein product [Mus musculus]" . . . . . 86.46 510 100.00 100.00 3.48e-49 . . . . 11262 1 3 no GB EDL16710 . "mCG53927 [Mus musculus]" . . . . . 86.46 510 100.00 100.00 3.48e-49 . . . . 11262 1 4 no REF NP_081910 . "ubiquilin 1-like [Mus musculus]" . . . . . 86.46 510 100.00 100.00 3.48e-49 . . . . 11262 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ubiquitin-like domain' . 11262 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 . 11262 1 2 . SER . 11262 1 3 . SER . 11262 1 4 . GLY . 11262 1 5 . SER . 11262 1 6 . SER . 11262 1 7 . GLY . 11262 1 8 . VAL . 11262 1 9 . SER . 11262 1 10 . GLY . 11262 1 11 . ARG . 11262 1 12 . GLU . 11262 1 13 . PRO . 11262 1 14 . SER . 11262 1 15 . SER . 11262 1 16 . ARG . 11262 1 17 . ILE . 11262 1 18 . ILE . 11262 1 19 . ARG . 11262 1 20 . VAL . 11262 1 21 . SER . 11262 1 22 . VAL . 11262 1 23 . LYS . 11262 1 24 . THR . 11262 1 25 . PRO . 11262 1 26 . GLN . 11262 1 27 . ASP . 11262 1 28 . CYS . 11262 1 29 . HIS . 11262 1 30 . GLU . 11262 1 31 . PHE . 11262 1 32 . PHE . 11262 1 33 . LEU . 11262 1 34 . ALA . 11262 1 35 . GLU . 11262 1 36 . ASN . 11262 1 37 . SER . 11262 1 38 . ASN . 11262 1 39 . VAL . 11262 1 40 . ARG . 11262 1 41 . ARG . 11262 1 42 . PHE . 11262 1 43 . LYS . 11262 1 44 . LYS . 11262 1 45 . GLN . 11262 1 46 . ILE . 11262 1 47 . SER . 11262 1 48 . LYS . 11262 1 49 . TYR . 11262 1 50 . LEU . 11262 1 51 . HIS . 11262 1 52 . CYS . 11262 1 53 . ASN . 11262 1 54 . ALA . 11262 1 55 . ASP . 11262 1 56 . ARG . 11262 1 57 . LEU . 11262 1 58 . VAL . 11262 1 59 . LEU . 11262 1 60 . ILE . 11262 1 61 . PHE . 11262 1 62 . THR . 11262 1 63 . GLY . 11262 1 64 . LYS . 11262 1 65 . ILE . 11262 1 66 . LEU . 11262 1 67 . ARG . 11262 1 68 . ASP . 11262 1 69 . GLN . 11262 1 70 . ASP . 11262 1 71 . ILE . 11262 1 72 . LEU . 11262 1 73 . SER . 11262 1 74 . GLN . 11262 1 75 . ARG . 11262 1 76 . GLY . 11262 1 77 . ILE . 11262 1 78 . LEU . 11262 1 79 . ASP . 11262 1 80 . GLY . 11262 1 81 . SER . 11262 1 82 . THR . 11262 1 83 . VAL . 11262 1 84 . HIS . 11262 1 85 . VAL . 11262 1 86 . VAL . 11262 1 87 . VAL . 11262 1 88 . ARG . 11262 1 89 . SER . 11262 1 90 . HIS . 11262 1 91 . SER . 11262 1 92 . GLY . 11262 1 93 . PRO . 11262 1 94 . SER . 11262 1 95 . SER . 11262 1 96 . GLY . 11262 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 11262 1 . SER 2 2 11262 1 . SER 3 3 11262 1 . GLY 4 4 11262 1 . SER 5 5 11262 1 . SER 6 6 11262 1 . GLY 7 7 11262 1 . VAL 8 8 11262 1 . SER 9 9 11262 1 . GLY 10 10 11262 1 . ARG 11 11 11262 1 . GLU 12 12 11262 1 . PRO 13 13 11262 1 . SER 14 14 11262 1 . SER 15 15 11262 1 . ARG 16 16 11262 1 . ILE 17 17 11262 1 . ILE 18 18 11262 1 . ARG 19 19 11262 1 . VAL 20 20 11262 1 . SER 21 21 11262 1 . VAL 22 22 11262 1 . LYS 23 23 11262 1 . THR 24 24 11262 1 . PRO 25 25 11262 1 . GLN 26 26 11262 1 . ASP 27 27 11262 1 . CYS 28 28 11262 1 . HIS 29 29 11262 1 . GLU 30 30 11262 1 . PHE 31 31 11262 1 . PHE 32 32 11262 1 . LEU 33 33 11262 1 . ALA 34 34 11262 1 . GLU 35 35 11262 1 . ASN 36 36 11262 1 . SER 37 37 11262 1 . ASN 38 38 11262 1 . VAL 39 39 11262 1 . ARG 40 40 11262 1 . ARG 41 41 11262 1 . PHE 42 42 11262 1 . LYS 43 43 11262 1 . LYS 44 44 11262 1 . GLN 45 45 11262 1 . ILE 46 46 11262 1 . SER 47 47 11262 1 . LYS 48 48 11262 1 . TYR 49 49 11262 1 . LEU 50 50 11262 1 . HIS 51 51 11262 1 . CYS 52 52 11262 1 . ASN 53 53 11262 1 . ALA 54 54 11262 1 . ASP 55 55 11262 1 . ARG 56 56 11262 1 . LEU 57 57 11262 1 . VAL 58 58 11262 1 . LEU 59 59 11262 1 . ILE 60 60 11262 1 . PHE 61 61 11262 1 . THR 62 62 11262 1 . GLY 63 63 11262 1 . LYS 64 64 11262 1 . ILE 65 65 11262 1 . LEU 66 66 11262 1 . ARG 67 67 11262 1 . ASP 68 68 11262 1 . GLN 69 69 11262 1 . ASP 70 70 11262 1 . ILE 71 71 11262 1 . LEU 72 72 11262 1 . SER 73 73 11262 1 . GLN 74 74 11262 1 . ARG 75 75 11262 1 . GLY 76 76 11262 1 . ILE 77 77 11262 1 . LEU 78 78 11262 1 . ASP 79 79 11262 1 . GLY 80 80 11262 1 . SER 81 81 11262 1 . THR 82 82 11262 1 . VAL 83 83 11262 1 . HIS 84 84 11262 1 . VAL 85 85 11262 1 . VAL 86 86 11262 1 . VAL 87 87 11262 1 . ARG 88 88 11262 1 . SER 89 89 11262 1 . HIS 90 90 11262 1 . SER 91 91 11262 1 . GLY 92 92 11262 1 . PRO 93 93 11262 1 . SER 94 94 11262 1 . SER 95 95 11262 1 . GLY 96 96 11262 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 11262 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11262 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 11262 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040705-07 . . . . . . 11262 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11262 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.51mM protein U-15N, 13C, 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ubiquitin-like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.51 . . mM . . . . 11262 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11262 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11262 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11262 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11262 1 6 H2O . . . . . . solvent 90 . . % . . . . 11262 1 7 D2O . . . . . . solvent 10 . . % . . . . 11262 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 11262 _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' 100 0.1 mM 11262 1 pH 7.0 0.05 pH 11262 1 pressure 1 0.001 atm 11262 1 temperature 298.0 0.1 K 11262 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11262 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11262 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11262 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11262 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11262 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11262 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11262 _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.' . . 11262 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11262 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11262 _Software.ID 4 _Software.Name Kujira _Software.Version 0.921 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11262 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11262 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11262 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11262 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11262 5 'structure solution' 11262 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 11262 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11262 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11262 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 11262 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11262 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11262 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 11262 _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 . . . . . . . . . 11262 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11262 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11262 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 11262 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11262 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11262 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11262 1 2 $NMRPipe . . 11262 1 3 $NMRview . . 11262 1 4 $Kujira . . 11262 1 5 $CYANA . . 11262 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 4.003 0.030 . 1 . . . . 7 GLY HA2 . 11262 1 2 . 1 1 7 7 GLY HA3 H 1 4.003 0.030 . 1 . . . . 7 GLY HA3 . 11262 1 3 . 1 1 7 7 GLY C C 13 174.216 0.300 . 1 . . . . 7 GLY C . 11262 1 4 . 1 1 7 7 GLY CA C 13 45.362 0.300 . 1 . . . . 7 GLY CA . 11262 1 5 . 1 1 8 8 VAL H H 1 8.032 0.030 . 1 . . . . 8 VAL H . 11262 1 6 . 1 1 8 8 VAL HA H 1 4.193 0.030 . 1 . . . . 8 VAL HA . 11262 1 7 . 1 1 8 8 VAL HB H 1 2.113 0.030 . 1 . . . . 8 VAL HB . 11262 1 8 . 1 1 8 8 VAL HG11 H 1 0.921 0.030 . 1 . . . . 8 VAL HG1 . 11262 1 9 . 1 1 8 8 VAL HG12 H 1 0.921 0.030 . 1 . . . . 8 VAL HG1 . 11262 1 10 . 1 1 8 8 VAL HG13 H 1 0.921 0.030 . 1 . . . . 8 VAL HG1 . 11262 1 11 . 1 1 8 8 VAL HG21 H 1 0.936 0.030 . 1 . . . . 8 VAL HG2 . 11262 1 12 . 1 1 8 8 VAL HG22 H 1 0.936 0.030 . 1 . . . . 8 VAL HG2 . 11262 1 13 . 1 1 8 8 VAL HG23 H 1 0.936 0.030 . 1 . . . . 8 VAL HG2 . 11262 1 14 . 1 1 8 8 VAL C C 13 176.513 0.300 . 1 . . . . 8 VAL C . 11262 1 15 . 1 1 8 8 VAL CA C 13 62.333 0.300 . 1 . . . . 8 VAL CA . 11262 1 16 . 1 1 8 8 VAL CB C 13 32.669 0.300 . 1 . . . . 8 VAL CB . 11262 1 17 . 1 1 8 8 VAL CG1 C 13 20.244 0.300 . 2 . . . . 8 VAL CG1 . 11262 1 18 . 1 1 8 8 VAL CG2 C 13 21.134 0.300 . 2 . . . . 8 VAL CG2 . 11262 1 19 . 1 1 8 8 VAL N N 15 119.030 0.300 . 1 . . . . 8 VAL N . 11262 1 20 . 1 1 9 9 SER H H 1 8.500 0.030 . 1 . . . . 9 SER H . 11262 1 21 . 1 1 9 9 SER HA H 1 4.472 0.030 . 1 . . . . 9 SER HA . 11262 1 22 . 1 1 9 9 SER HB2 H 1 3.895 0.030 . 1 . . . . 9 SER HB2 . 11262 1 23 . 1 1 9 9 SER HB3 H 1 3.895 0.030 . 1 . . . . 9 SER HB3 . 11262 1 24 . 1 1 9 9 SER C C 13 175.137 0.300 . 1 . . . . 9 SER C . 11262 1 25 . 1 1 9 9 SER CA C 13 58.638 0.300 . 1 . . . . 9 SER CA . 11262 1 26 . 1 1 9 9 SER CB C 13 63.951 0.300 . 1 . . . . 9 SER CB . 11262 1 27 . 1 1 9 9 SER N N 15 119.520 0.300 . 1 . . . . 9 SER N . 11262 1 28 . 1 1 10 10 GLY H H 1 8.453 0.030 . 1 . . . . 10 GLY H . 11262 1 29 . 1 1 10 10 GLY HA2 H 1 3.987 0.030 . 1 . . . . 10 GLY HA2 . 11262 1 30 . 1 1 10 10 GLY HA3 H 1 3.987 0.030 . 1 . . . . 10 GLY HA3 . 11262 1 31 . 1 1 10 10 GLY C C 13 173.943 0.300 . 1 . . . . 10 GLY C . 11262 1 32 . 1 1 10 10 GLY CA C 13 45.368 0.300 . 1 . . . . 10 GLY CA . 11262 1 33 . 1 1 10 10 GLY N N 15 111.046 0.300 . 1 . . . . 10 GLY N . 11262 1 34 . 1 1 11 11 ARG H H 1 8.118 0.030 . 1 . . . . 11 ARG H . 11262 1 35 . 1 1 11 11 ARG HA H 1 4.377 0.030 . 1 . . . . 11 ARG HA . 11262 1 36 . 1 1 11 11 ARG HB2 H 1 1.712 0.030 . 2 . . . . 11 ARG HB2 . 11262 1 37 . 1 1 11 11 ARG HB3 H 1 1.847 0.030 . 2 . . . . 11 ARG HB3 . 11262 1 38 . 1 1 11 11 ARG HD2 H 1 3.189 0.030 . 1 . . . . 11 ARG HD2 . 11262 1 39 . 1 1 11 11 ARG HD3 H 1 3.189 0.030 . 1 . . . . 11 ARG HD3 . 11262 1 40 . 1 1 11 11 ARG HG2 H 1 1.622 0.030 . 2 . . . . 11 ARG HG2 . 11262 1 41 . 1 1 11 11 ARG HG3 H 1 1.827 0.030 . 2 . . . . 11 ARG HG3 . 11262 1 42 . 1 1 11 11 ARG C C 13 176.146 0.300 . 1 . . . . 11 ARG C . 11262 1 43 . 1 1 11 11 ARG CA C 13 55.764 0.300 . 1 . . . . 11 ARG CA . 11262 1 44 . 1 1 11 11 ARG CB C 13 30.938 0.300 . 1 . . . . 11 ARG CB . 11262 1 45 . 1 1 11 11 ARG CD C 13 43.356 0.300 . 1 . . . . 11 ARG CD . 11262 1 46 . 1 1 11 11 ARG CG C 13 26.989 0.300 . 1 . . . . 11 ARG CG . 11262 1 47 . 1 1 11 11 ARG N N 15 120.169 0.300 . 1 . . . . 11 ARG N . 11262 1 48 . 1 1 12 12 GLU H H 1 8.520 0.030 . 1 . . . . 12 GLU H . 11262 1 49 . 1 1 12 12 GLU HA H 1 4.558 0.030 . 1 . . . . 12 GLU HA . 11262 1 50 . 1 1 12 12 GLU HB2 H 1 1.907 0.030 . 2 . . . . 12 GLU HB2 . 11262 1 51 . 1 1 12 12 GLU HB3 H 1 2.035 0.030 . 2 . . . . 12 GLU HB3 . 11262 1 52 . 1 1 12 12 GLU HG2 H 1 2.312 0.030 . 1 . . . . 12 GLU HG2 . 11262 1 53 . 1 1 12 12 GLU HG3 H 1 2.312 0.030 . 1 . . . . 12 GLU HG3 . 11262 1 54 . 1 1 12 12 GLU C C 13 174.690 0.300 . 1 . . . . 12 GLU C . 11262 1 55 . 1 1 12 12 GLU CA C 13 54.653 0.300 . 1 . . . . 12 GLU CA . 11262 1 56 . 1 1 12 12 GLU CB C 13 29.451 0.300 . 1 . . . . 12 GLU CB . 11262 1 57 . 1 1 12 12 GLU CG C 13 35.979 0.300 . 1 . . . . 12 GLU CG . 11262 1 58 . 1 1 12 12 GLU N N 15 123.713 0.300 . 1 . . . . 12 GLU N . 11262 1 59 . 1 1 13 13 PRO HA H 1 4.439 0.030 . 1 . . . . 13 PRO HA . 11262 1 60 . 1 1 13 13 PRO HB2 H 1 2.303 0.030 . 2 . . . . 13 PRO HB2 . 11262 1 61 . 1 1 13 13 PRO HB3 H 1 1.939 0.030 . 2 . . . . 13 PRO HB3 . 11262 1 62 . 1 1 13 13 PRO HD2 H 1 3.696 0.030 . 2 . . . . 13 PRO HD2 . 11262 1 63 . 1 1 13 13 PRO HD3 H 1 3.829 0.030 . 2 . . . . 13 PRO HD3 . 11262 1 64 . 1 1 13 13 PRO HG2 H 1 2.026 0.030 . 1 . . . . 13 PRO HG2 . 11262 1 65 . 1 1 13 13 PRO HG3 H 1 2.026 0.030 . 1 . . . . 13 PRO HG3 . 11262 1 66 . 1 1 13 13 PRO C C 13 176.891 0.300 . 1 . . . . 13 PRO C . 11262 1 67 . 1 1 13 13 PRO CA C 13 63.321 0.300 . 1 . . . . 13 PRO CA . 11262 1 68 . 1 1 13 13 PRO CB C 13 32.058 0.300 . 1 . . . . 13 PRO CB . 11262 1 69 . 1 1 13 13 PRO CD C 13 50.695 0.300 . 1 . . . . 13 PRO CD . 11262 1 70 . 1 1 13 13 PRO CG C 13 27.400 0.300 . 1 . . . . 13 PRO CG . 11262 1 71 . 1 1 14 14 SER H H 1 8.443 0.030 . 1 . . . . 14 SER H . 11262 1 72 . 1 1 14 14 SER HA H 1 4.458 0.030 . 1 . . . . 14 SER HA . 11262 1 73 . 1 1 14 14 SER HB2 H 1 3.889 0.030 . 1 . . . . 14 SER HB2 . 11262 1 74 . 1 1 14 14 SER HB3 H 1 3.889 0.030 . 1 . . . . 14 SER HB3 . 11262 1 75 . 1 1 14 14 SER C C 13 174.183 0.300 . 1 . . . . 14 SER C . 11262 1 76 . 1 1 14 14 SER CA C 13 58.384 0.300 . 1 . . . . 14 SER CA . 11262 1 77 . 1 1 14 14 SER CB C 13 64.003 0.300 . 1 . . . . 14 SER CB . 11262 1 78 . 1 1 14 14 SER N N 15 116.574 0.300 . 1 . . . . 14 SER N . 11262 1 79 . 1 1 15 15 SER H H 1 8.239 0.030 . 1 . . . . 15 SER H . 11262 1 80 . 1 1 15 15 SER HA H 1 4.534 0.030 . 1 . . . . 15 SER HA . 11262 1 81 . 1 1 15 15 SER HB2 H 1 3.785 0.030 . 2 . . . . 15 SER HB2 . 11262 1 82 . 1 1 15 15 SER HB3 H 1 3.875 0.030 . 2 . . . . 15 SER HB3 . 11262 1 83 . 1 1 15 15 SER C C 13 173.937 0.300 . 1 . . . . 15 SER C . 11262 1 84 . 1 1 15 15 SER CA C 13 57.820 0.300 . 1 . . . . 15 SER CA . 11262 1 85 . 1 1 15 15 SER CB C 13 64.199 0.300 . 1 . . . . 15 SER CB . 11262 1 86 . 1 1 15 15 SER N N 15 117.370 0.300 . 1 . . . . 15 SER N . 11262 1 87 . 1 1 16 16 ARG H H 1 8.580 0.030 . 1 . . . . 16 ARG H . 11262 1 88 . 1 1 16 16 ARG HA H 1 4.218 0.030 . 1 . . . . 16 ARG HA . 11262 1 89 . 1 1 16 16 ARG HB2 H 1 1.708 0.030 . 1 . . . . 16 ARG HB2 . 11262 1 90 . 1 1 16 16 ARG HB3 H 1 1.708 0.030 . 1 . . . . 16 ARG HB3 . 11262 1 91 . 1 1 16 16 ARG HD2 H 1 3.161 0.030 . 1 . . . . 16 ARG HD2 . 11262 1 92 . 1 1 16 16 ARG HD3 H 1 3.161 0.030 . 1 . . . . 16 ARG HD3 . 11262 1 93 . 1 1 16 16 ARG HG2 H 1 1.524 0.030 . 1 . . . . 16 ARG HG2 . 11262 1 94 . 1 1 16 16 ARG HG3 H 1 1.524 0.030 . 1 . . . . 16 ARG HG3 . 11262 1 95 . 1 1 16 16 ARG C C 13 175.092 0.300 . 1 . . . . 16 ARG C . 11262 1 96 . 1 1 16 16 ARG CA C 13 56.557 0.300 . 1 . . . . 16 ARG CA . 11262 1 97 . 1 1 16 16 ARG CB C 13 30.891 0.300 . 1 . . . . 16 ARG CB . 11262 1 98 . 1 1 16 16 ARG CD C 13 43.603 0.300 . 1 . . . . 16 ARG CD . 11262 1 99 . 1 1 16 16 ARG CG C 13 27.054 0.300 . 1 . . . . 16 ARG CG . 11262 1 100 . 1 1 16 16 ARG N N 15 124.128 0.300 . 1 . . . . 16 ARG N . 11262 1 101 . 1 1 17 17 ILE H H 1 8.385 0.030 . 1 . . . . 17 ILE H . 11262 1 102 . 1 1 17 17 ILE HA H 1 4.209 0.030 . 1 . . . . 17 ILE HA . 11262 1 103 . 1 1 17 17 ILE HB H 1 1.879 0.030 . 1 . . . . 17 ILE HB . 11262 1 104 . 1 1 17 17 ILE HD11 H 1 0.697 0.030 . 1 . . . . 17 ILE HD1 . 11262 1 105 . 1 1 17 17 ILE HD12 H 1 0.697 0.030 . 1 . . . . 17 ILE HD1 . 11262 1 106 . 1 1 17 17 ILE HD13 H 1 0.697 0.030 . 1 . . . . 17 ILE HD1 . 11262 1 107 . 1 1 17 17 ILE HG12 H 1 1.357 0.030 . 2 . . . . 17 ILE HG12 . 11262 1 108 . 1 1 17 17 ILE HG13 H 1 1.458 0.030 . 2 . . . . 17 ILE HG13 . 11262 1 109 . 1 1 17 17 ILE HG21 H 1 0.842 0.030 . 1 . . . . 17 ILE HG2 . 11262 1 110 . 1 1 17 17 ILE HG22 H 1 0.842 0.030 . 1 . . . . 17 ILE HG2 . 11262 1 111 . 1 1 17 17 ILE HG23 H 1 0.842 0.030 . 1 . . . . 17 ILE HG2 . 11262 1 112 . 1 1 17 17 ILE C C 13 176.368 0.300 . 1 . . . . 17 ILE C . 11262 1 113 . 1 1 17 17 ILE CA C 13 59.589 0.300 . 1 . . . . 17 ILE CA . 11262 1 114 . 1 1 17 17 ILE CB C 13 36.702 0.300 . 1 . . . . 17 ILE CB . 11262 1 115 . 1 1 17 17 ILE CD1 C 13 10.188 0.300 . 1 . . . . 17 ILE CD1 . 11262 1 116 . 1 1 17 17 ILE CG1 C 13 27.109 0.300 . 1 . . . . 17 ILE CG1 . 11262 1 117 . 1 1 17 17 ILE CG2 C 13 18.164 0.300 . 1 . . . . 17 ILE CG2 . 11262 1 118 . 1 1 17 17 ILE N N 15 124.763 0.300 . 1 . . . . 17 ILE N . 11262 1 119 . 1 1 18 18 ILE H H 1 9.013 0.030 . 1 . . . . 18 ILE H . 11262 1 120 . 1 1 18 18 ILE HA H 1 4.656 0.030 . 1 . . . . 18 ILE HA . 11262 1 121 . 1 1 18 18 ILE HB H 1 1.585 0.030 . 1 . . . . 18 ILE HB . 11262 1 122 . 1 1 18 18 ILE HD11 H 1 0.471 0.030 . 1 . . . . 18 ILE HD1 . 11262 1 123 . 1 1 18 18 ILE HD12 H 1 0.471 0.030 . 1 . . . . 18 ILE HD1 . 11262 1 124 . 1 1 18 18 ILE HD13 H 1 0.471 0.030 . 1 . . . . 18 ILE HD1 . 11262 1 125 . 1 1 18 18 ILE HG12 H 1 0.841 0.030 . 2 . . . . 18 ILE HG12 . 11262 1 126 . 1 1 18 18 ILE HG13 H 1 1.245 0.030 . 2 . . . . 18 ILE HG13 . 11262 1 127 . 1 1 18 18 ILE HG21 H 1 0.878 0.030 . 1 . . . . 18 ILE HG2 . 11262 1 128 . 1 1 18 18 ILE HG22 H 1 0.878 0.030 . 1 . . . . 18 ILE HG2 . 11262 1 129 . 1 1 18 18 ILE HG23 H 1 0.878 0.030 . 1 . . . . 18 ILE HG2 . 11262 1 130 . 1 1 18 18 ILE C C 13 172.536 0.300 . 1 . . . . 18 ILE C . 11262 1 131 . 1 1 18 18 ILE CA C 13 59.616 0.300 . 1 . . . . 18 ILE CA . 11262 1 132 . 1 1 18 18 ILE CB C 13 42.158 0.300 . 1 . . . . 18 ILE CB . 11262 1 133 . 1 1 18 18 ILE CD1 C 13 14.262 0.300 . 1 . . . . 18 ILE CD1 . 11262 1 134 . 1 1 18 18 ILE CG1 C 13 25.009 0.300 . 1 . . . . 18 ILE CG1 . 11262 1 135 . 1 1 18 18 ILE CG2 C 13 19.038 0.300 . 1 . . . . 18 ILE CG2 . 11262 1 136 . 1 1 18 18 ILE N N 15 123.481 0.300 . 1 . . . . 18 ILE N . 11262 1 137 . 1 1 19 19 ARG H H 1 8.649 0.030 . 1 . . . . 19 ARG H . 11262 1 138 . 1 1 19 19 ARG HA H 1 4.645 0.030 . 1 . . . . 19 ARG HA . 11262 1 139 . 1 1 19 19 ARG HB2 H 1 1.636 0.030 . 2 . . . . 19 ARG HB2 . 11262 1 140 . 1 1 19 19 ARG HB3 H 1 1.378 0.030 . 2 . . . . 19 ARG HB3 . 11262 1 141 . 1 1 19 19 ARG HD2 H 1 2.996 0.030 . 2 . . . . 19 ARG HD2 . 11262 1 142 . 1 1 19 19 ARG HD3 H 1 3.141 0.030 . 2 . . . . 19 ARG HD3 . 11262 1 143 . 1 1 19 19 ARG HE H 1 7.518 0.030 . 1 . . . . 19 ARG HE . 11262 1 144 . 1 1 19 19 ARG HG2 H 1 0.912 0.030 . 2 . . . . 19 ARG HG2 . 11262 1 145 . 1 1 19 19 ARG HG3 H 1 0.646 0.030 . 2 . . . . 19 ARG HG3 . 11262 1 146 . 1 1 19 19 ARG C C 13 175.461 0.300 . 1 . . . . 19 ARG C . 11262 1 147 . 1 1 19 19 ARG CA C 13 53.879 0.300 . 1 . . . . 19 ARG CA . 11262 1 148 . 1 1 19 19 ARG CB C 13 32.025 0.300 . 1 . . . . 19 ARG CB . 11262 1 149 . 1 1 19 19 ARG CD C 13 43.274 0.300 . 1 . . . . 19 ARG CD . 11262 1 150 . 1 1 19 19 ARG CG C 13 26.325 0.300 . 1 . . . . 19 ARG CG . 11262 1 151 . 1 1 19 19 ARG N N 15 122.063 0.300 . 1 . . . . 19 ARG N . 11262 1 152 . 1 1 19 19 ARG NE N 15 84.091 0.300 . 1 . . . . 19 ARG NE . 11262 1 153 . 1 1 20 20 VAL H H 1 8.889 0.030 . 1 . . . . 20 VAL H . 11262 1 154 . 1 1 20 20 VAL HA H 1 4.458 0.030 . 1 . . . . 20 VAL HA . 11262 1 155 . 1 1 20 20 VAL HB H 1 1.566 0.030 . 1 . . . . 20 VAL HB . 11262 1 156 . 1 1 20 20 VAL HG11 H 1 0.753 0.030 . 1 . . . . 20 VAL HG1 . 11262 1 157 . 1 1 20 20 VAL HG12 H 1 0.753 0.030 . 1 . . . . 20 VAL HG1 . 11262 1 158 . 1 1 20 20 VAL HG13 H 1 0.753 0.030 . 1 . . . . 20 VAL HG1 . 11262 1 159 . 1 1 20 20 VAL HG21 H 1 0.442 0.030 . 1 . . . . 20 VAL HG2 . 11262 1 160 . 1 1 20 20 VAL HG22 H 1 0.442 0.030 . 1 . . . . 20 VAL HG2 . 11262 1 161 . 1 1 20 20 VAL HG23 H 1 0.442 0.030 . 1 . . . . 20 VAL HG2 . 11262 1 162 . 1 1 20 20 VAL C C 13 175.779 0.300 . 1 . . . . 20 VAL C . 11262 1 163 . 1 1 20 20 VAL CA C 13 60.724 0.300 . 1 . . . . 20 VAL CA . 11262 1 164 . 1 1 20 20 VAL CB C 13 35.239 0.300 . 1 . . . . 20 VAL CB . 11262 1 165 . 1 1 20 20 VAL CG1 C 13 21.889 0.300 . 2 . . . . 20 VAL CG1 . 11262 1 166 . 1 1 20 20 VAL CG2 C 13 21.699 0.300 . 2 . . . . 20 VAL CG2 . 11262 1 167 . 1 1 20 20 VAL N N 15 125.410 0.300 . 1 . . . . 20 VAL N . 11262 1 168 . 1 1 21 21 SER H H 1 8.811 0.030 . 1 . . . . 21 SER H . 11262 1 169 . 1 1 21 21 SER HA H 1 4.844 0.030 . 1 . . . . 21 SER HA . 11262 1 170 . 1 1 21 21 SER HB2 H 1 3.646 0.030 . 2 . . . . 21 SER HB2 . 11262 1 171 . 1 1 21 21 SER HB3 H 1 3.804 0.030 . 2 . . . . 21 SER HB3 . 11262 1 172 . 1 1 21 21 SER C C 13 173.054 0.300 . 1 . . . . 21 SER C . 11262 1 173 . 1 1 21 21 SER CA C 13 58.398 0.300 . 1 . . . . 21 SER CA . 11262 1 174 . 1 1 21 21 SER CB C 13 63.662 0.300 . 1 . . . . 21 SER CB . 11262 1 175 . 1 1 21 21 SER N N 15 122.813 0.300 . 1 . . . . 21 SER N . 11262 1 176 . 1 1 22 22 VAL H H 1 9.156 0.030 . 1 . . . . 22 VAL H . 11262 1 177 . 1 1 22 22 VAL HA H 1 4.926 0.030 . 1 . . . . 22 VAL HA . 11262 1 178 . 1 1 22 22 VAL HB H 1 2.247 0.030 . 1 . . . . 22 VAL HB . 11262 1 179 . 1 1 22 22 VAL HG11 H 1 0.713 0.030 . 1 . . . . 22 VAL HG1 . 11262 1 180 . 1 1 22 22 VAL HG12 H 1 0.713 0.030 . 1 . . . . 22 VAL HG1 . 11262 1 181 . 1 1 22 22 VAL HG13 H 1 0.713 0.030 . 1 . . . . 22 VAL HG1 . 11262 1 182 . 1 1 22 22 VAL HG21 H 1 0.801 0.030 . 1 . . . . 22 VAL HG2 . 11262 1 183 . 1 1 22 22 VAL HG22 H 1 0.801 0.030 . 1 . . . . 22 VAL HG2 . 11262 1 184 . 1 1 22 22 VAL HG23 H 1 0.801 0.030 . 1 . . . . 22 VAL HG2 . 11262 1 185 . 1 1 22 22 VAL C C 13 174.626 0.300 . 1 . . . . 22 VAL C . 11262 1 186 . 1 1 22 22 VAL CA C 13 60.710 0.300 . 1 . . . . 22 VAL CA . 11262 1 187 . 1 1 22 22 VAL CB C 13 33.475 0.300 . 1 . . . . 22 VAL CB . 11262 1 188 . 1 1 22 22 VAL CG1 C 13 21.360 0.300 . 2 . . . . 22 VAL CG1 . 11262 1 189 . 1 1 22 22 VAL CG2 C 13 23.534 0.300 . 2 . . . . 22 VAL CG2 . 11262 1 190 . 1 1 22 22 VAL N N 15 125.985 0.300 . 1 . . . . 22 VAL N . 11262 1 191 . 1 1 23 23 LYS H H 1 8.815 0.030 . 1 . . . . 23 LYS H . 11262 1 192 . 1 1 23 23 LYS HA H 1 5.019 0.030 . 1 . . . . 23 LYS HA . 11262 1 193 . 1 1 23 23 LYS HB2 H 1 1.674 0.030 . 2 . . . . 23 LYS HB2 . 11262 1 194 . 1 1 23 23 LYS HB3 H 1 1.312 0.030 . 2 . . . . 23 LYS HB3 . 11262 1 195 . 1 1 23 23 LYS HD2 H 1 1.583 0.030 . 2 . . . . 23 LYS HD2 . 11262 1 196 . 1 1 23 23 LYS HD3 H 1 1.681 0.030 . 2 . . . . 23 LYS HD3 . 11262 1 197 . 1 1 23 23 LYS HE2 H 1 3.009 0.030 . 1 . . . . 23 LYS HE2 . 11262 1 198 . 1 1 23 23 LYS HE3 H 1 3.009 0.030 . 1 . . . . 23 LYS HE3 . 11262 1 199 . 1 1 23 23 LYS HG2 H 1 1.356 0.030 . 1 . . . . 23 LYS HG2 . 11262 1 200 . 1 1 23 23 LYS HG3 H 1 1.356 0.030 . 1 . . . . 23 LYS HG3 . 11262 1 201 . 1 1 23 23 LYS C C 13 176.220 0.300 . 1 . . . . 23 LYS C . 11262 1 202 . 1 1 23 23 LYS CA C 13 55.332 0.300 . 1 . . . . 23 LYS CA . 11262 1 203 . 1 1 23 23 LYS CB C 13 34.444 0.300 . 1 . . . . 23 LYS CB . 11262 1 204 . 1 1 23 23 LYS CD C 13 29.240 0.300 . 1 . . . . 23 LYS CD . 11262 1 205 . 1 1 23 23 LYS CE C 13 42.369 0.300 . 1 . . . . 23 LYS CE . 11262 1 206 . 1 1 23 23 LYS CG C 13 25.596 0.300 . 1 . . . . 23 LYS CG . 11262 1 207 . 1 1 23 23 LYS N N 15 128.845 0.300 . 1 . . . . 23 LYS N . 11262 1 208 . 1 1 24 24 THR H H 1 8.789 0.030 . 1 . . . . 24 THR H . 11262 1 209 . 1 1 24 24 THR HA H 1 5.188 0.030 . 1 . . . . 24 THR HA . 11262 1 210 . 1 1 24 24 THR HG21 H 1 1.272 0.030 . 1 . . . . 24 THR HG2 . 11262 1 211 . 1 1 24 24 THR HG22 H 1 1.272 0.030 . 1 . . . . 24 THR HG2 . 11262 1 212 . 1 1 24 24 THR HG23 H 1 1.272 0.030 . 1 . . . . 24 THR HG2 . 11262 1 213 . 1 1 24 24 THR C C 13 173.253 0.300 . 1 . . . . 24 THR C . 11262 1 214 . 1 1 24 24 THR CA C 13 59.849 0.300 . 1 . . . . 24 THR CA . 11262 1 215 . 1 1 24 24 THR CB C 13 68.048 0.300 . 1 . . . . 24 THR CB . 11262 1 216 . 1 1 24 24 THR CG2 C 13 21.603 0.300 . 1 . . . . 24 THR CG2 . 11262 1 217 . 1 1 24 24 THR N N 15 119.254 0.300 . 1 . . . . 24 THR N . 11262 1 218 . 1 1 25 25 PRO HA H 1 4.434 0.030 . 1 . . . . 25 PRO HA . 11262 1 219 . 1 1 25 25 PRO HB2 H 1 2.503 0.030 . 2 . . . . 25 PRO HB2 . 11262 1 220 . 1 1 25 25 PRO HB3 H 1 1.901 0.030 . 2 . . . . 25 PRO HB3 . 11262 1 221 . 1 1 25 25 PRO HD2 H 1 3.802 0.030 . 2 . . . . 25 PRO HD2 . 11262 1 222 . 1 1 25 25 PRO HD3 H 1 4.128 0.030 . 2 . . . . 25 PRO HD3 . 11262 1 223 . 1 1 25 25 PRO HG2 H 1 2.269 0.030 . 2 . . . . 25 PRO HG2 . 11262 1 224 . 1 1 25 25 PRO HG3 H 1 2.099 0.030 . 2 . . . . 25 PRO HG3 . 11262 1 225 . 1 1 25 25 PRO C C 13 177.150 0.300 . 1 . . . . 25 PRO C . 11262 1 226 . 1 1 25 25 PRO CA C 13 65.760 0.300 . 1 . . . . 25 PRO CA . 11262 1 227 . 1 1 25 25 PRO CB C 13 31.666 0.300 . 1 . . . . 25 PRO CB . 11262 1 228 . 1 1 25 25 PRO CD C 13 50.616 0.300 . 1 . . . . 25 PRO CD . 11262 1 229 . 1 1 25 25 PRO CG C 13 28.754 0.300 . 1 . . . . 25 PRO CG . 11262 1 230 . 1 1 26 26 GLN H H 1 7.841 0.030 . 1 . . . . 26 GLN H . 11262 1 231 . 1 1 26 26 GLN HA H 1 4.569 0.030 . 1 . . . . 26 GLN HA . 11262 1 232 . 1 1 26 26 GLN HB2 H 1 1.982 0.030 . 2 . . . . 26 GLN HB2 . 11262 1 233 . 1 1 26 26 GLN HB3 H 1 2.174 0.030 . 2 . . . . 26 GLN HB3 . 11262 1 234 . 1 1 26 26 GLN HE21 H 1 7.554 0.030 . 2 . . . . 26 GLN HE21 . 11262 1 235 . 1 1 26 26 GLN HE22 H 1 6.847 0.030 . 2 . . . . 26 GLN HE22 . 11262 1 236 . 1 1 26 26 GLN HG2 H 1 2.297 0.030 . 2 . . . . 26 GLN HG2 . 11262 1 237 . 1 1 26 26 GLN HG3 H 1 2.376 0.030 . 2 . . . . 26 GLN HG3 . 11262 1 238 . 1 1 26 26 GLN C C 13 174.853 0.300 . 1 . . . . 26 GLN C . 11262 1 239 . 1 1 26 26 GLN CA C 13 55.924 0.300 . 1 . . . . 26 GLN CA . 11262 1 240 . 1 1 26 26 GLN CB C 13 30.729 0.300 . 1 . . . . 26 GLN CB . 11262 1 241 . 1 1 26 26 GLN CG C 13 34.144 0.300 . 1 . . . . 26 GLN CG . 11262 1 242 . 1 1 26 26 GLN N N 15 111.157 0.300 . 1 . . . . 26 GLN N . 11262 1 243 . 1 1 26 26 GLN NE2 N 15 112.005 0.300 . 1 . . . . 26 GLN NE2 . 11262 1 244 . 1 1 27 27 ASP H H 1 7.879 0.030 . 1 . . . . 27 ASP H . 11262 1 245 . 1 1 27 27 ASP HA H 1 4.870 0.030 . 1 . . . . 27 ASP HA . 11262 1 246 . 1 1 27 27 ASP HB2 H 1 2.567 0.030 . 2 . . . . 27 ASP HB2 . 11262 1 247 . 1 1 27 27 ASP HB3 H 1 2.624 0.030 . 2 . . . . 27 ASP HB3 . 11262 1 248 . 1 1 27 27 ASP C C 13 174.053 0.300 . 1 . . . . 27 ASP C . 11262 1 249 . 1 1 27 27 ASP CA C 13 53.533 0.300 . 1 . . . . 27 ASP CA . 11262 1 250 . 1 1 27 27 ASP CB C 13 44.589 0.300 . 1 . . . . 27 ASP CB . 11262 1 251 . 1 1 27 27 ASP N N 15 119.728 0.300 . 1 . . . . 27 ASP N . 11262 1 252 . 1 1 28 28 CYS H H 1 8.584 0.030 . 1 . . . . 28 CYS H . 11262 1 253 . 1 1 28 28 CYS HA H 1 5.429 0.030 . 1 . . . . 28 CYS HA . 11262 1 254 . 1 1 28 28 CYS HB2 H 1 2.767 0.030 . 2 . . . . 28 CYS HB2 . 11262 1 255 . 1 1 28 28 CYS HB3 H 1 2.846 0.030 . 2 . . . . 28 CYS HB3 . 11262 1 256 . 1 1 28 28 CYS C C 13 173.102 0.300 . 1 . . . . 28 CYS C . 11262 1 257 . 1 1 28 28 CYS CA C 13 57.487 0.300 . 1 . . . . 28 CYS CA . 11262 1 258 . 1 1 28 28 CYS CB C 13 28.459 0.300 . 1 . . . . 28 CYS CB . 11262 1 259 . 1 1 28 28 CYS N N 15 119.972 0.300 . 1 . . . . 28 CYS N . 11262 1 260 . 1 1 29 29 HIS H H 1 8.999 0.030 . 1 . . . . 29 HIS H . 11262 1 261 . 1 1 29 29 HIS HA H 1 4.789 0.030 . 1 . . . . 29 HIS HA . 11262 1 262 . 1 1 29 29 HIS HB2 H 1 2.515 0.030 . 2 . . . . 29 HIS HB2 . 11262 1 263 . 1 1 29 29 HIS HB3 H 1 2.759 0.030 . 2 . . . . 29 HIS HB3 . 11262 1 264 . 1 1 29 29 HIS C C 13 173.053 0.300 . 1 . . . . 29 HIS C . 11262 1 265 . 1 1 29 29 HIS CA C 13 54.771 0.300 . 1 . . . . 29 HIS CA . 11262 1 266 . 1 1 29 29 HIS CB C 13 33.406 0.300 . 1 . . . . 29 HIS CB . 11262 1 267 . 1 1 29 29 HIS N N 15 126.647 0.300 . 1 . . . . 29 HIS N . 11262 1 268 . 1 1 30 30 GLU H H 1 8.016 0.030 . 1 . . . . 30 GLU H . 11262 1 269 . 1 1 30 30 GLU HA H 1 4.732 0.030 . 1 . . . . 30 GLU HA . 11262 1 270 . 1 1 30 30 GLU HB2 H 1 1.636 0.030 . 2 . . . . 30 GLU HB2 . 11262 1 271 . 1 1 30 30 GLU HB3 H 1 1.472 0.030 . 2 . . . . 30 GLU HB3 . 11262 1 272 . 1 1 30 30 GLU HG2 H 1 1.877 0.030 . 2 . . . . 30 GLU HG2 . 11262 1 273 . 1 1 30 30 GLU HG3 H 1 1.982 0.030 . 2 . . . . 30 GLU HG3 . 11262 1 274 . 1 1 30 30 GLU C C 13 174.644 0.300 . 1 . . . . 30 GLU C . 11262 1 275 . 1 1 30 30 GLU CA C 13 55.630 0.300 . 1 . . . . 30 GLU CA . 11262 1 276 . 1 1 30 30 GLU CB C 13 30.976 0.300 . 1 . . . . 30 GLU CB . 11262 1 277 . 1 1 30 30 GLU CG C 13 36.365 0.300 . 1 . . . . 30 GLU CG . 11262 1 278 . 1 1 30 30 GLU N N 15 124.537 0.300 . 1 . . . . 30 GLU N . 11262 1 279 . 1 1 31 31 PHE H H 1 8.754 0.030 . 1 . . . . 31 PHE H . 11262 1 280 . 1 1 31 31 PHE HA H 1 4.579 0.030 . 1 . . . . 31 PHE HA . 11262 1 281 . 1 1 31 31 PHE HB2 H 1 2.970 0.030 . 2 . . . . 31 PHE HB2 . 11262 1 282 . 1 1 31 31 PHE HB3 H 1 2.795 0.030 . 2 . . . . 31 PHE HB3 . 11262 1 283 . 1 1 31 31 PHE HD1 H 1 7.416 0.030 . 1 . . . . 31 PHE HD1 . 11262 1 284 . 1 1 31 31 PHE HD2 H 1 7.416 0.030 . 1 . . . . 31 PHE HD2 . 11262 1 285 . 1 1 31 31 PHE HE1 H 1 7.040 0.030 . 1 . . . . 31 PHE HE1 . 11262 1 286 . 1 1 31 31 PHE HE2 H 1 7.040 0.030 . 1 . . . . 31 PHE HE2 . 11262 1 287 . 1 1 31 31 PHE HZ H 1 6.839 0.030 . 1 . . . . 31 PHE HZ . 11262 1 288 . 1 1 31 31 PHE C C 13 173.012 0.300 . 1 . . . . 31 PHE C . 11262 1 289 . 1 1 31 31 PHE CA C 13 57.009 0.300 . 1 . . . . 31 PHE CA . 11262 1 290 . 1 1 31 31 PHE CB C 13 43.147 0.300 . 1 . . . . 31 PHE CB . 11262 1 291 . 1 1 31 31 PHE CD1 C 13 132.778 0.300 . 1 . . . . 31 PHE CD1 . 11262 1 292 . 1 1 31 31 PHE CD2 C 13 132.778 0.300 . 1 . . . . 31 PHE CD2 . 11262 1 293 . 1 1 31 31 PHE CE1 C 13 130.496 0.300 . 1 . . . . 31 PHE CE1 . 11262 1 294 . 1 1 31 31 PHE CE2 C 13 130.496 0.300 . 1 . . . . 31 PHE CE2 . 11262 1 295 . 1 1 31 31 PHE CZ C 13 129.052 0.300 . 1 . . . . 31 PHE CZ . 11262 1 296 . 1 1 31 31 PHE N N 15 122.169 0.300 . 1 . . . . 31 PHE N . 11262 1 297 . 1 1 32 32 PHE H H 1 8.664 0.030 . 1 . . . . 32 PHE H . 11262 1 298 . 1 1 32 32 PHE HA H 1 5.538 0.030 . 1 . . . . 32 PHE HA . 11262 1 299 . 1 1 32 32 PHE HB2 H 1 2.656 0.030 . 2 . . . . 32 PHE HB2 . 11262 1 300 . 1 1 32 32 PHE HB3 H 1 2.819 0.030 . 2 . . . . 32 PHE HB3 . 11262 1 301 . 1 1 32 32 PHE HD1 H 1 7.080 0.030 . 1 . . . . 32 PHE HD1 . 11262 1 302 . 1 1 32 32 PHE HD2 H 1 7.080 0.030 . 1 . . . . 32 PHE HD2 . 11262 1 303 . 1 1 32 32 PHE HE1 H 1 7.203 0.030 . 1 . . . . 32 PHE HE1 . 11262 1 304 . 1 1 32 32 PHE HE2 H 1 7.203 0.030 . 1 . . . . 32 PHE HE2 . 11262 1 305 . 1 1 32 32 PHE HZ H 1 7.161 0.030 . 1 . . . . 32 PHE HZ . 11262 1 306 . 1 1 32 32 PHE C C 13 175.916 0.300 . 1 . . . . 32 PHE C . 11262 1 307 . 1 1 32 32 PHE CA C 13 56.241 0.300 . 1 . . . . 32 PHE CA . 11262 1 308 . 1 1 32 32 PHE CB C 13 40.141 0.300 . 1 . . . . 32 PHE CB . 11262 1 309 . 1 1 32 32 PHE CD1 C 13 131.781 0.300 . 1 . . . . 32 PHE CD1 . 11262 1 310 . 1 1 32 32 PHE CD2 C 13 131.781 0.300 . 1 . . . . 32 PHE CD2 . 11262 1 311 . 1 1 32 32 PHE CE1 C 13 131.125 0.300 . 1 . . . . 32 PHE CE1 . 11262 1 312 . 1 1 32 32 PHE CE2 C 13 131.125 0.300 . 1 . . . . 32 PHE CE2 . 11262 1 313 . 1 1 32 32 PHE CZ C 13 129.314 0.300 . 1 . . . . 32 PHE CZ . 11262 1 314 . 1 1 32 32 PHE N N 15 118.906 0.300 . 1 . . . . 32 PHE N . 11262 1 315 . 1 1 33 33 LEU H H 1 8.999 0.030 . 1 . . . . 33 LEU H . 11262 1 316 . 1 1 33 33 LEU HA H 1 4.699 0.030 . 1 . . . . 33 LEU HA . 11262 1 317 . 1 1 33 33 LEU HB2 H 1 1.838 0.030 . 2 . . . . 33 LEU HB2 . 11262 1 318 . 1 1 33 33 LEU HB3 H 1 1.550 0.030 . 2 . . . . 33 LEU HB3 . 11262 1 319 . 1 1 33 33 LEU HD11 H 1 0.264 0.030 . 1 . . . . 33 LEU HD1 . 11262 1 320 . 1 1 33 33 LEU HD12 H 1 0.264 0.030 . 1 . . . . 33 LEU HD1 . 11262 1 321 . 1 1 33 33 LEU HD13 H 1 0.264 0.030 . 1 . . . . 33 LEU HD1 . 11262 1 322 . 1 1 33 33 LEU HD21 H 1 0.192 0.030 . 1 . . . . 33 LEU HD2 . 11262 1 323 . 1 1 33 33 LEU HD22 H 1 0.192 0.030 . 1 . . . . 33 LEU HD2 . 11262 1 324 . 1 1 33 33 LEU HD23 H 1 0.192 0.030 . 1 . . . . 33 LEU HD2 . 11262 1 325 . 1 1 33 33 LEU HG H 1 1.225 0.030 . 1 . . . . 33 LEU HG . 11262 1 326 . 1 1 33 33 LEU C C 13 174.507 0.300 . 1 . . . . 33 LEU C . 11262 1 327 . 1 1 33 33 LEU CA C 13 54.824 0.300 . 1 . . . . 33 LEU CA . 11262 1 328 . 1 1 33 33 LEU CB C 13 43.633 0.300 . 1 . . . . 33 LEU CB . 11262 1 329 . 1 1 33 33 LEU CD1 C 13 24.210 0.300 . 2 . . . . 33 LEU CD1 . 11262 1 330 . 1 1 33 33 LEU CD2 C 13 26.252 0.300 . 2 . . . . 33 LEU CD2 . 11262 1 331 . 1 1 33 33 LEU CG C 13 26.811 0.300 . 1 . . . . 33 LEU CG . 11262 1 332 . 1 1 33 33 LEU N N 15 123.620 0.300 . 1 . . . . 33 LEU N . 11262 1 333 . 1 1 34 34 ALA H H 1 8.499 0.030 . 1 . . . . 34 ALA H . 11262 1 334 . 1 1 34 34 ALA HA H 1 4.506 0.030 . 1 . . . . 34 ALA HA . 11262 1 335 . 1 1 34 34 ALA HB1 H 1 1.384 0.030 . 1 . . . . 34 ALA HB . 11262 1 336 . 1 1 34 34 ALA HB2 H 1 1.384 0.030 . 1 . . . . 34 ALA HB . 11262 1 337 . 1 1 34 34 ALA HB3 H 1 1.384 0.030 . 1 . . . . 34 ALA HB . 11262 1 338 . 1 1 34 34 ALA C C 13 180.831 0.300 . 1 . . . . 34 ALA C . 11262 1 339 . 1 1 34 34 ALA CA C 13 52.261 0.300 . 1 . . . . 34 ALA CA . 11262 1 340 . 1 1 34 34 ALA CB C 13 18.818 0.300 . 1 . . . . 34 ALA CB . 11262 1 341 . 1 1 34 34 ALA N N 15 122.156 0.300 . 1 . . . . 34 ALA N . 11262 1 342 . 1 1 35 35 GLU H H 1 8.881 0.030 . 1 . . . . 35 GLU H . 11262 1 343 . 1 1 35 35 GLU HA H 1 3.906 0.030 . 1 . . . . 35 GLU HA . 11262 1 344 . 1 1 35 35 GLU HB2 H 1 2.135 0.030 . 2 . . . . 35 GLU HB2 . 11262 1 345 . 1 1 35 35 GLU HB3 H 1 1.975 0.030 . 2 . . . . 35 GLU HB3 . 11262 1 346 . 1 1 35 35 GLU HG2 H 1 2.170 0.030 . 2 . . . . 35 GLU HG2 . 11262 1 347 . 1 1 35 35 GLU HG3 H 1 2.494 0.030 . 2 . . . . 35 GLU HG3 . 11262 1 348 . 1 1 35 35 GLU C C 13 174.082 0.300 . 1 . . . . 35 GLU C . 11262 1 349 . 1 1 35 35 GLU CA C 13 58.173 0.300 . 1 . . . . 35 GLU CA . 11262 1 350 . 1 1 35 35 GLU CB C 13 28.997 0.300 . 1 . . . . 35 GLU CB . 11262 1 351 . 1 1 35 35 GLU CG C 13 34.802 0.300 . 1 . . . . 35 GLU CG . 11262 1 352 . 1 1 35 35 GLU N N 15 121.148 0.300 . 1 . . . . 35 GLU N . 11262 1 353 . 1 1 36 36 ASN H H 1 7.724 0.030 . 1 . . . . 36 ASN H . 11262 1 354 . 1 1 36 36 ASN HA H 1 4.826 0.030 . 1 . . . . 36 ASN HA . 11262 1 355 . 1 1 36 36 ASN HB2 H 1 3.061 0.030 . 2 . . . . 36 ASN HB2 . 11262 1 356 . 1 1 36 36 ASN HB3 H 1 2.852 0.030 . 2 . . . . 36 ASN HB3 . 11262 1 357 . 1 1 36 36 ASN HD21 H 1 6.814 0.030 . 2 . . . . 36 ASN HD21 . 11262 1 358 . 1 1 36 36 ASN HD22 H 1 7.500 0.030 . 2 . . . . 36 ASN HD22 . 11262 1 359 . 1 1 36 36 ASN C C 13 175.173 0.300 . 1 . . . . 36 ASN C . 11262 1 360 . 1 1 36 36 ASN CA C 13 51.667 0.300 . 1 . . . . 36 ASN CA . 11262 1 361 . 1 1 36 36 ASN CB C 13 36.945 0.300 . 1 . . . . 36 ASN CB . 11262 1 362 . 1 1 36 36 ASN N N 15 114.454 0.300 . 1 . . . . 36 ASN N . 11262 1 363 . 1 1 36 36 ASN ND2 N 15 111.258 0.300 . 1 . . . . 36 ASN ND2 . 11262 1 364 . 1 1 37 37 SER H H 1 7.503 0.030 . 1 . . . . 37 SER H . 11262 1 365 . 1 1 37 37 SER HA H 1 4.338 0.030 . 1 . . . . 37 SER HA . 11262 1 366 . 1 1 37 37 SER HB2 H 1 3.764 0.030 . 1 . . . . 37 SER HB2 . 11262 1 367 . 1 1 37 37 SER HB3 H 1 3.764 0.030 . 1 . . . . 37 SER HB3 . 11262 1 368 . 1 1 37 37 SER C C 13 172.895 0.300 . 1 . . . . 37 SER C . 11262 1 369 . 1 1 37 37 SER CA C 13 59.814 0.300 . 1 . . . . 37 SER CA . 11262 1 370 . 1 1 37 37 SER CB C 13 64.548 0.300 . 1 . . . . 37 SER CB . 11262 1 371 . 1 1 37 37 SER N N 15 114.360 0.300 . 1 . . . . 37 SER N . 11262 1 372 . 1 1 38 38 ASN H H 1 8.023 0.030 . 1 . . . . 38 ASN H . 11262 1 373 . 1 1 38 38 ASN HA H 1 5.840 0.030 . 1 . . . . 38 ASN HA . 11262 1 374 . 1 1 38 38 ASN HB2 H 1 2.730 0.030 . 2 . . . . 38 ASN HB2 . 11262 1 375 . 1 1 38 38 ASN HB3 H 1 3.237 0.030 . 2 . . . . 38 ASN HB3 . 11262 1 376 . 1 1 38 38 ASN HD21 H 1 7.611 0.030 . 2 . . . . 38 ASN HD21 . 11262 1 377 . 1 1 38 38 ASN HD22 H 1 6.792 0.030 . 2 . . . . 38 ASN HD22 . 11262 1 378 . 1 1 38 38 ASN C C 13 176.648 0.300 . 1 . . . . 38 ASN C . 11262 1 379 . 1 1 38 38 ASN CA C 13 50.489 0.300 . 1 . . . . 38 ASN CA . 11262 1 380 . 1 1 38 38 ASN CB C 13 39.920 0.300 . 1 . . . . 38 ASN CB . 11262 1 381 . 1 1 38 38 ASN N N 15 118.053 0.300 . 1 . . . . 38 ASN N . 11262 1 382 . 1 1 38 38 ASN ND2 N 15 110.810 0.300 . 1 . . . . 38 ASN ND2 . 11262 1 383 . 1 1 39 39 VAL H H 1 8.260 0.030 . 1 . . . . 39 VAL H . 11262 1 384 . 1 1 39 39 VAL HA H 1 3.584 0.030 . 1 . . . . 39 VAL HA . 11262 1 385 . 1 1 39 39 VAL HB H 1 2.699 0.030 . 1 . . . . 39 VAL HB . 11262 1 386 . 1 1 39 39 VAL HG11 H 1 0.807 0.030 . 1 . . . . 39 VAL HG1 . 11262 1 387 . 1 1 39 39 VAL HG12 H 1 0.807 0.030 . 1 . . . . 39 VAL HG1 . 11262 1 388 . 1 1 39 39 VAL HG13 H 1 0.807 0.030 . 1 . . . . 39 VAL HG1 . 11262 1 389 . 1 1 39 39 VAL HG21 H 1 1.031 0.030 . 1 . . . . 39 VAL HG2 . 11262 1 390 . 1 1 39 39 VAL HG22 H 1 1.031 0.030 . 1 . . . . 39 VAL HG2 . 11262 1 391 . 1 1 39 39 VAL HG23 H 1 1.031 0.030 . 1 . . . . 39 VAL HG2 . 11262 1 392 . 1 1 39 39 VAL C C 13 177.465 0.300 . 1 . . . . 39 VAL C . 11262 1 393 . 1 1 39 39 VAL CA C 13 66.396 0.300 . 1 . . . . 39 VAL CA . 11262 1 394 . 1 1 39 39 VAL CB C 13 31.204 0.300 . 1 . . . . 39 VAL CB . 11262 1 395 . 1 1 39 39 VAL CG1 C 13 21.712 0.300 . 2 . . . . 39 VAL CG1 . 11262 1 396 . 1 1 39 39 VAL CG2 C 13 26.331 0.300 . 2 . . . . 39 VAL CG2 . 11262 1 397 . 1 1 39 39 VAL N N 15 121.881 0.300 . 1 . . . . 39 VAL N . 11262 1 398 . 1 1 40 40 ARG H H 1 8.620 0.030 . 1 . . . . 40 ARG H . 11262 1 399 . 1 1 40 40 ARG HA H 1 3.767 0.030 . 1 . . . . 40 ARG HA . 11262 1 400 . 1 1 40 40 ARG HB2 H 1 1.713 0.030 . 2 . . . . 40 ARG HB2 . 11262 1 401 . 1 1 40 40 ARG HB3 H 1 1.899 0.030 . 2 . . . . 40 ARG HB3 . 11262 1 402 . 1 1 40 40 ARG HD2 H 1 3.226 0.030 . 1 . . . . 40 ARG HD2 . 11262 1 403 . 1 1 40 40 ARG HD3 H 1 3.226 0.030 . 1 . . . . 40 ARG HD3 . 11262 1 404 . 1 1 40 40 ARG HG2 H 1 1.613 0.030 . 1 . . . . 40 ARG HG2 . 11262 1 405 . 1 1 40 40 ARG HG3 H 1 1.613 0.030 . 1 . . . . 40 ARG HG3 . 11262 1 406 . 1 1 40 40 ARG C C 13 178.394 0.300 . 1 . . . . 40 ARG C . 11262 1 407 . 1 1 40 40 ARG CA C 13 60.440 0.300 . 1 . . . . 40 ARG CA . 11262 1 408 . 1 1 40 40 ARG CB C 13 29.925 0.300 . 1 . . . . 40 ARG CB . 11262 1 409 . 1 1 40 40 ARG CD C 13 43.110 0.300 . 1 . . . . 40 ARG CD . 11262 1 410 . 1 1 40 40 ARG CG C 13 27.235 0.300 . 1 . . . . 40 ARG CG . 11262 1 411 . 1 1 40 40 ARG N N 15 123.400 0.300 . 1 . . . . 40 ARG N . 11262 1 412 . 1 1 41 41 ARG H H 1 8.328 0.030 . 1 . . . . 41 ARG H . 11262 1 413 . 1 1 41 41 ARG HA H 1 4.081 0.030 . 1 . . . . 41 ARG HA . 11262 1 414 . 1 1 41 41 ARG HB2 H 1 2.032 0.030 . 1 . . . . 41 ARG HB2 . 11262 1 415 . 1 1 41 41 ARG HB3 H 1 2.032 0.030 . 1 . . . . 41 ARG HB3 . 11262 1 416 . 1 1 41 41 ARG HD2 H 1 3.310 0.030 . 1 . . . . 41 ARG HD2 . 11262 1 417 . 1 1 41 41 ARG HD3 H 1 3.310 0.030 . 1 . . . . 41 ARG HD3 . 11262 1 418 . 1 1 41 41 ARG HG2 H 1 1.897 0.030 . 2 . . . . 41 ARG HG2 . 11262 1 419 . 1 1 41 41 ARG HG3 H 1 1.771 0.030 . 2 . . . . 41 ARG HG3 . 11262 1 420 . 1 1 41 41 ARG C C 13 179.434 0.300 . 1 . . . . 41 ARG C . 11262 1 421 . 1 1 41 41 ARG CA C 13 59.428 0.300 . 1 . . . . 41 ARG CA . 11262 1 422 . 1 1 41 41 ARG CB C 13 29.726 0.300 . 1 . . . . 41 ARG CB . 11262 1 423 . 1 1 41 41 ARG CD C 13 43.521 0.300 . 1 . . . . 41 ARG CD . 11262 1 424 . 1 1 41 41 ARG CG C 13 27.820 0.300 . 1 . . . . 41 ARG CG . 11262 1 425 . 1 1 41 41 ARG N N 15 118.805 0.300 . 1 . . . . 41 ARG N . 11262 1 426 . 1 1 42 42 PHE H H 1 7.863 0.030 . 1 . . . . 42 PHE H . 11262 1 427 . 1 1 42 42 PHE HA H 1 4.753 0.030 . 1 . . . . 42 PHE HA . 11262 1 428 . 1 1 42 42 PHE HB2 H 1 3.095 0.030 . 2 . . . . 42 PHE HB2 . 11262 1 429 . 1 1 42 42 PHE HB3 H 1 3.331 0.030 . 2 . . . . 42 PHE HB3 . 11262 1 430 . 1 1 42 42 PHE HD1 H 1 6.980 0.030 . 1 . . . . 42 PHE HD1 . 11262 1 431 . 1 1 42 42 PHE HD2 H 1 6.980 0.030 . 1 . . . . 42 PHE HD2 . 11262 1 432 . 1 1 42 42 PHE HE1 H 1 6.582 0.030 . 1 . . . . 42 PHE HE1 . 11262 1 433 . 1 1 42 42 PHE HE2 H 1 6.582 0.030 . 1 . . . . 42 PHE HE2 . 11262 1 434 . 1 1 42 42 PHE C C 13 177.987 0.300 . 1 . . . . 42 PHE C . 11262 1 435 . 1 1 42 42 PHE CA C 13 56.570 0.300 . 1 . . . . 42 PHE CA . 11262 1 436 . 1 1 42 42 PHE CB C 13 38.710 0.300 . 1 . . . . 42 PHE CB . 11262 1 437 . 1 1 42 42 PHE CD1 C 13 130.936 0.300 . 1 . . . . 42 PHE CD1 . 11262 1 438 . 1 1 42 42 PHE CD2 C 13 130.936 0.300 . 1 . . . . 42 PHE CD2 . 11262 1 439 . 1 1 42 42 PHE CE1 C 13 129.578 0.300 . 1 . . . . 42 PHE CE1 . 11262 1 440 . 1 1 42 42 PHE CE2 C 13 129.578 0.300 . 1 . . . . 42 PHE CE2 . 11262 1 441 . 1 1 42 42 PHE N N 15 121.912 0.300 . 1 . . . . 42 PHE N . 11262 1 442 . 1 1 43 43 LYS H H 1 9.325 0.030 . 1 . . . . 43 LYS H . 11262 1 443 . 1 1 43 43 LYS HA H 1 3.443 0.030 . 1 . . . . 43 LYS HA . 11262 1 444 . 1 1 43 43 LYS HB2 H 1 2.070 0.030 . 2 . . . . 43 LYS HB2 . 11262 1 445 . 1 1 43 43 LYS HB3 H 1 1.747 0.030 . 2 . . . . 43 LYS HB3 . 11262 1 446 . 1 1 43 43 LYS HD2 H 1 1.724 0.030 . 1 . . . . 43 LYS HD2 . 11262 1 447 . 1 1 43 43 LYS HD3 H 1 1.724 0.030 . 1 . . . . 43 LYS HD3 . 11262 1 448 . 1 1 43 43 LYS HE2 H 1 2.748 0.030 . 2 . . . . 43 LYS HE2 . 11262 1 449 . 1 1 43 43 LYS HE3 H 1 2.645 0.030 . 2 . . . . 43 LYS HE3 . 11262 1 450 . 1 1 43 43 LYS HG2 H 1 1.563 0.030 . 2 . . . . 43 LYS HG2 . 11262 1 451 . 1 1 43 43 LYS HG3 H 1 0.972 0.030 . 2 . . . . 43 LYS HG3 . 11262 1 452 . 1 1 43 43 LYS C C 13 178.671 0.300 . 1 . . . . 43 LYS C . 11262 1 453 . 1 1 43 43 LYS CA C 13 60.719 0.300 . 1 . . . . 43 LYS CA . 11262 1 454 . 1 1 43 43 LYS CB C 13 33.380 0.300 . 1 . . . . 43 LYS CB . 11262 1 455 . 1 1 43 43 LYS CD C 13 30.212 0.300 . 1 . . . . 43 LYS CD . 11262 1 456 . 1 1 43 43 LYS CE C 13 42.287 0.300 . 1 . . . . 43 LYS CE . 11262 1 457 . 1 1 43 43 LYS CG C 13 27.540 0.300 . 1 . . . . 43 LYS CG . 11262 1 458 . 1 1 43 43 LYS N N 15 118.085 0.300 . 1 . . . . 43 LYS N . 11262 1 459 . 1 1 44 44 LYS H H 1 7.826 0.030 . 1 . . . . 44 LYS H . 11262 1 460 . 1 1 44 44 LYS HA H 1 3.970 0.030 . 1 . . . . 44 LYS HA . 11262 1 461 . 1 1 44 44 LYS HB2 H 1 2.056 0.030 . 1 . . . . 44 LYS HB2 . 11262 1 462 . 1 1 44 44 LYS HB3 H 1 2.056 0.030 . 1 . . . . 44 LYS HB3 . 11262 1 463 . 1 1 44 44 LYS HD2 H 1 1.725 0.030 . 1 . . . . 44 LYS HD2 . 11262 1 464 . 1 1 44 44 LYS HD3 H 1 1.725 0.030 . 1 . . . . 44 LYS HD3 . 11262 1 465 . 1 1 44 44 LYS HE2 H 1 2.996 0.030 . 1 . . . . 44 LYS HE2 . 11262 1 466 . 1 1 44 44 LYS HE3 H 1 2.996 0.030 . 1 . . . . 44 LYS HE3 . 11262 1 467 . 1 1 44 44 LYS HG2 H 1 1.466 0.030 . 2 . . . . 44 LYS HG2 . 11262 1 468 . 1 1 44 44 LYS HG3 H 1 1.623 0.030 . 2 . . . . 44 LYS HG3 . 11262 1 469 . 1 1 44 44 LYS C C 13 179.285 0.300 . 1 . . . . 44 LYS C . 11262 1 470 . 1 1 44 44 LYS CA C 13 59.893 0.300 . 1 . . . . 44 LYS CA . 11262 1 471 . 1 1 44 44 LYS CB C 13 31.671 0.300 . 1 . . . . 44 LYS CB . 11262 1 472 . 1 1 44 44 LYS CD C 13 29.240 0.300 . 1 . . . . 44 LYS CD . 11262 1 473 . 1 1 44 44 LYS CE C 13 42.123 0.300 . 1 . . . . 44 LYS CE . 11262 1 474 . 1 1 44 44 LYS CG C 13 25.110 0.300 . 1 . . . . 44 LYS CG . 11262 1 475 . 1 1 44 44 LYS N N 15 119.559 0.300 . 1 . . . . 44 LYS N . 11262 1 476 . 1 1 45 45 GLN H H 1 7.708 0.030 . 1 . . . . 45 GLN H . 11262 1 477 . 1 1 45 45 GLN HA H 1 4.201 0.030 . 1 . . . . 45 GLN HA . 11262 1 478 . 1 1 45 45 GLN HB2 H 1 2.479 0.030 . 2 . . . . 45 GLN HB2 . 11262 1 479 . 1 1 45 45 GLN HB3 H 1 2.343 0.030 . 2 . . . . 45 GLN HB3 . 11262 1 480 . 1 1 45 45 GLN HE21 H 1 6.853 0.030 . 2 . . . . 45 GLN HE21 . 11262 1 481 . 1 1 45 45 GLN HE22 H 1 7.555 0.030 . 2 . . . . 45 GLN HE22 . 11262 1 482 . 1 1 45 45 GLN HG2 H 1 2.731 0.030 . 2 . . . . 45 GLN HG2 . 11262 1 483 . 1 1 45 45 GLN HG3 H 1 2.465 0.030 . 2 . . . . 45 GLN HG3 . 11262 1 484 . 1 1 45 45 GLN C C 13 179.381 0.300 . 1 . . . . 45 GLN C . 11262 1 485 . 1 1 45 45 GLN CA C 13 59.550 0.300 . 1 . . . . 45 GLN CA . 11262 1 486 . 1 1 45 45 GLN CB C 13 28.896 0.300 . 1 . . . . 45 GLN CB . 11262 1 487 . 1 1 45 45 GLN CG C 13 33.898 0.300 . 1 . . . . 45 GLN CG . 11262 1 488 . 1 1 45 45 GLN N N 15 120.696 0.300 . 1 . . . . 45 GLN N . 11262 1 489 . 1 1 45 45 GLN NE2 N 15 108.834 0.300 . 1 . . . . 45 GLN NE2 . 11262 1 490 . 1 1 46 46 ILE H H 1 8.363 0.030 . 1 . . . . 46 ILE H . 11262 1 491 . 1 1 46 46 ILE HA H 1 3.513 0.030 . 1 . . . . 46 ILE HA . 11262 1 492 . 1 1 46 46 ILE HB H 1 1.287 0.030 . 1 . . . . 46 ILE HB . 11262 1 493 . 1 1 46 46 ILE HD11 H 1 -0.499 0.030 . 1 . . . . 46 ILE HD1 . 11262 1 494 . 1 1 46 46 ILE HD12 H 1 -0.499 0.030 . 1 . . . . 46 ILE HD1 . 11262 1 495 . 1 1 46 46 ILE HD13 H 1 -0.499 0.030 . 1 . . . . 46 ILE HD1 . 11262 1 496 . 1 1 46 46 ILE HG12 H 1 -0.302 0.030 . 2 . . . . 46 ILE HG12 . 11262 1 497 . 1 1 46 46 ILE HG13 H 1 0.838 0.030 . 2 . . . . 46 ILE HG13 . 11262 1 498 . 1 1 46 46 ILE HG21 H 1 0.618 0.030 . 1 . . . . 46 ILE HG2 . 11262 1 499 . 1 1 46 46 ILE HG22 H 1 0.618 0.030 . 1 . . . . 46 ILE HG2 . 11262 1 500 . 1 1 46 46 ILE HG23 H 1 0.618 0.030 . 1 . . . . 46 ILE HG2 . 11262 1 501 . 1 1 46 46 ILE C C 13 178.237 0.300 . 1 . . . . 46 ILE C . 11262 1 502 . 1 1 46 46 ILE CA C 13 65.157 0.300 . 1 . . . . 46 ILE CA . 11262 1 503 . 1 1 46 46 ILE CB C 13 38.352 0.300 . 1 . . . . 46 ILE CB . 11262 1 504 . 1 1 46 46 ILE CD1 C 13 13.925 0.300 . 1 . . . . 46 ILE CD1 . 11262 1 505 . 1 1 46 46 ILE CG1 C 13 27.540 0.300 . 1 . . . . 46 ILE CG1 . 11262 1 506 . 1 1 46 46 ILE CG2 C 13 18.564 0.300 . 1 . . . . 46 ILE CG2 . 11262 1 507 . 1 1 46 46 ILE N N 15 120.431 0.300 . 1 . . . . 46 ILE N . 11262 1 508 . 1 1 47 47 SER H H 1 8.682 0.030 . 1 . . . . 47 SER H . 11262 1 509 . 1 1 47 47 SER HA H 1 3.853 0.030 . 1 . . . . 47 SER HA . 11262 1 510 . 1 1 47 47 SER HB2 H 1 4.115 0.030 . 2 . . . . 47 SER HB2 . 11262 1 511 . 1 1 47 47 SER HB3 H 1 4.315 0.030 . 2 . . . . 47 SER HB3 . 11262 1 512 . 1 1 47 47 SER C C 13 176.201 0.300 . 1 . . . . 47 SER C . 11262 1 513 . 1 1 47 47 SER CA C 13 62.013 0.300 . 1 . . . . 47 SER CA . 11262 1 514 . 1 1 47 47 SER CB C 13 61.958 0.300 . 1 . . . . 47 SER CB . 11262 1 515 . 1 1 47 47 SER N N 15 116.144 0.300 . 1 . . . . 47 SER N . 11262 1 516 . 1 1 48 48 LYS H H 1 7.373 0.030 . 1 . . . . 48 LYS H . 11262 1 517 . 1 1 48 48 LYS HA H 1 4.183 0.030 . 1 . . . . 48 LYS HA . 11262 1 518 . 1 1 48 48 LYS HB2 H 1 1.999 0.030 . 1 . . . . 48 LYS HB2 . 11262 1 519 . 1 1 48 48 LYS HB3 H 1 1.999 0.030 . 1 . . . . 48 LYS HB3 . 11262 1 520 . 1 1 48 48 LYS HD2 H 1 1.778 0.030 . 1 . . . . 48 LYS HD2 . 11262 1 521 . 1 1 48 48 LYS HD3 H 1 1.778 0.030 . 1 . . . . 48 LYS HD3 . 11262 1 522 . 1 1 48 48 LYS HE2 H 1 3.045 0.030 . 1 . . . . 48 LYS HE2 . 11262 1 523 . 1 1 48 48 LYS HE3 H 1 3.045 0.030 . 1 . . . . 48 LYS HE3 . 11262 1 524 . 1 1 48 48 LYS HG2 H 1 1.521 0.030 . 2 . . . . 48 LYS HG2 . 11262 1 525 . 1 1 48 48 LYS HG3 H 1 1.638 0.030 . 2 . . . . 48 LYS HG3 . 11262 1 526 . 1 1 48 48 LYS C C 13 178.399 0.300 . 1 . . . . 48 LYS C . 11262 1 527 . 1 1 48 48 LYS CA C 13 58.615 0.300 . 1 . . . . 48 LYS CA . 11262 1 528 . 1 1 48 48 LYS CB C 13 32.274 0.300 . 1 . . . . 48 LYS CB . 11262 1 529 . 1 1 48 48 LYS CD C 13 29.292 0.300 . 1 . . . . 48 LYS CD . 11262 1 530 . 1 1 48 48 LYS CE C 13 42.287 0.300 . 1 . . . . 48 LYS CE . 11262 1 531 . 1 1 48 48 LYS CG C 13 25.110 0.300 . 1 . . . . 48 LYS CG . 11262 1 532 . 1 1 48 48 LYS N N 15 121.655 0.300 . 1 . . . . 48 LYS N . 11262 1 533 . 1 1 49 49 TYR H H 1 7.405 0.030 . 1 . . . . 49 TYR H . 11262 1 534 . 1 1 49 49 TYR HA H 1 4.240 0.030 . 1 . . . . 49 TYR HA . 11262 1 535 . 1 1 49 49 TYR HB2 H 1 3.226 0.030 . 2 . . . . 49 TYR HB2 . 11262 1 536 . 1 1 49 49 TYR HB3 H 1 3.358 0.030 . 2 . . . . 49 TYR HB3 . 11262 1 537 . 1 1 49 49 TYR HD1 H 1 6.912 0.030 . 1 . . . . 49 TYR HD1 . 11262 1 538 . 1 1 49 49 TYR HD2 H 1 6.912 0.030 . 1 . . . . 49 TYR HD2 . 11262 1 539 . 1 1 49 49 TYR HE1 H 1 6.487 0.030 . 1 . . . . 49 TYR HE1 . 11262 1 540 . 1 1 49 49 TYR HE2 H 1 6.487 0.030 . 1 . . . . 49 TYR HE2 . 11262 1 541 . 1 1 49 49 TYR C C 13 176.716 0.300 . 1 . . . . 49 TYR C . 11262 1 542 . 1 1 49 49 TYR CA C 13 60.578 0.300 . 1 . . . . 49 TYR CA . 11262 1 543 . 1 1 49 49 TYR CB C 13 39.234 0.300 . 1 . . . . 49 TYR CB . 11262 1 544 . 1 1 49 49 TYR CD1 C 13 132.620 0.300 . 1 . . . . 49 TYR CD1 . 11262 1 545 . 1 1 49 49 TYR CD2 C 13 132.620 0.300 . 1 . . . . 49 TYR CD2 . 11262 1 546 . 1 1 49 49 TYR CE1 C 13 117.785 0.300 . 1 . . . . 49 TYR CE1 . 11262 1 547 . 1 1 49 49 TYR CE2 C 13 117.785 0.300 . 1 . . . . 49 TYR CE2 . 11262 1 548 . 1 1 49 49 TYR N N 15 119.649 0.300 . 1 . . . . 49 TYR N . 11262 1 549 . 1 1 50 50 LEU H H 1 8.167 0.030 . 1 . . . . 50 LEU H . 11262 1 550 . 1 1 50 50 LEU HA H 1 4.008 0.030 . 1 . . . . 50 LEU HA . 11262 1 551 . 1 1 50 50 LEU HB2 H 1 1.655 0.030 . 2 . . . . 50 LEU HB2 . 11262 1 552 . 1 1 50 50 LEU HB3 H 1 1.559 0.030 . 2 . . . . 50 LEU HB3 . 11262 1 553 . 1 1 50 50 LEU HD11 H 1 0.803 0.030 . 1 . . . . 50 LEU HD1 . 11262 1 554 . 1 1 50 50 LEU HD12 H 1 0.803 0.030 . 1 . . . . 50 LEU HD1 . 11262 1 555 . 1 1 50 50 LEU HD13 H 1 0.803 0.030 . 1 . . . . 50 LEU HD1 . 11262 1 556 . 1 1 50 50 LEU HD21 H 1 0.721 0.030 . 1 . . . . 50 LEU HD2 . 11262 1 557 . 1 1 50 50 LEU HD22 H 1 0.721 0.030 . 1 . . . . 50 LEU HD2 . 11262 1 558 . 1 1 50 50 LEU HD23 H 1 0.721 0.030 . 1 . . . . 50 LEU HD2 . 11262 1 559 . 1 1 50 50 LEU HG H 1 1.815 0.030 . 1 . . . . 50 LEU HG . 11262 1 560 . 1 1 50 50 LEU C C 13 176.483 0.300 . 1 . . . . 50 LEU C . 11262 1 561 . 1 1 50 50 LEU CA C 13 54.732 0.300 . 1 . . . . 50 LEU CA . 11262 1 562 . 1 1 50 50 LEU CB C 13 42.604 0.300 . 1 . . . . 50 LEU CB . 11262 1 563 . 1 1 50 50 LEU CD1 C 13 22.437 0.300 . 2 . . . . 50 LEU CD1 . 11262 1 564 . 1 1 50 50 LEU CD2 C 13 26.090 0.300 . 2 . . . . 50 LEU CD2 . 11262 1 565 . 1 1 50 50 LEU CG C 13 27.054 0.300 . 1 . . . . 50 LEU CG . 11262 1 566 . 1 1 50 50 LEU N N 15 115.475 0.300 . 1 . . . . 50 LEU N . 11262 1 567 . 1 1 51 51 HIS H H 1 7.667 0.030 . 1 . . . . 51 HIS H . 11262 1 568 . 1 1 51 51 HIS HA H 1 4.230 0.030 . 1 . . . . 51 HIS HA . 11262 1 569 . 1 1 51 51 HIS HB2 H 1 3.236 0.030 . 2 . . . . 51 HIS HB2 . 11262 1 570 . 1 1 51 51 HIS HB3 H 1 3.394 0.030 . 2 . . . . 51 HIS HB3 . 11262 1 571 . 1 1 51 51 HIS HD2 H 1 6.996 0.030 . 1 . . . . 51 HIS HD2 . 11262 1 572 . 1 1 51 51 HIS C C 13 173.773 0.300 . 1 . . . . 51 HIS C . 11262 1 573 . 1 1 51 51 HIS CA C 13 56.485 0.300 . 1 . . . . 51 HIS CA . 11262 1 574 . 1 1 51 51 HIS CB C 13 26.568 0.300 . 1 . . . . 51 HIS CB . 11262 1 575 . 1 1 51 51 HIS CD2 C 13 120.047 0.300 . 1 . . . . 51 HIS CD2 . 11262 1 576 . 1 1 51 51 HIS N N 15 115.454 0.300 . 1 . . . . 51 HIS N . 11262 1 577 . 1 1 52 52 CYS H H 1 8.085 0.030 . 1 . . . . 52 CYS H . 11262 1 578 . 1 1 52 52 CYS HA H 1 5.001 0.030 . 1 . . . . 52 CYS HA . 11262 1 579 . 1 1 52 52 CYS HB2 H 1 3.036 0.030 . 2 . . . . 52 CYS HB2 . 11262 1 580 . 1 1 52 52 CYS HB3 H 1 2.521 0.030 . 2 . . . . 52 CYS HB3 . 11262 1 581 . 1 1 52 52 CYS C C 13 172.481 0.300 . 1 . . . . 52 CYS C . 11262 1 582 . 1 1 52 52 CYS CA C 13 55.536 0.300 . 1 . . . . 52 CYS CA . 11262 1 583 . 1 1 52 52 CYS CB C 13 31.765 0.300 . 1 . . . . 52 CYS CB . 11262 1 584 . 1 1 52 52 CYS N N 15 114.126 0.300 . 1 . . . . 52 CYS N . 11262 1 585 . 1 1 53 53 ASN HA H 1 4.641 0.030 . 1 . . . . 53 ASN HA . 11262 1 586 . 1 1 53 53 ASN HB2 H 1 2.726 0.030 . 2 . . . . 53 ASN HB2 . 11262 1 587 . 1 1 53 53 ASN HB3 H 1 2.774 0.030 . 2 . . . . 53 ASN HB3 . 11262 1 588 . 1 1 53 53 ASN HD21 H 1 7.048 0.030 . 2 . . . . 53 ASN HD21 . 11262 1 589 . 1 1 53 53 ASN HD22 H 1 7.723 0.030 . 2 . . . . 53 ASN HD22 . 11262 1 590 . 1 1 53 53 ASN C C 13 177.137 0.300 . 1 . . . . 53 ASN C . 11262 1 591 . 1 1 53 53 ASN CA C 13 53.357 0.300 . 1 . . . . 53 ASN CA . 11262 1 592 . 1 1 53 53 ASN CB C 13 39.084 0.300 . 1 . . . . 53 ASN CB . 11262 1 593 . 1 1 53 53 ASN ND2 N 15 113.151 0.300 . 1 . . . . 53 ASN ND2 . 11262 1 594 . 1 1 54 54 ALA H H 1 9.065 0.030 . 1 . . . . 54 ALA H . 11262 1 595 . 1 1 54 54 ALA HA H 1 3.819 0.030 . 1 . . . . 54 ALA HA . 11262 1 596 . 1 1 54 54 ALA HB1 H 1 1.406 0.030 . 1 . . . . 54 ALA HB . 11262 1 597 . 1 1 54 54 ALA HB2 H 1 1.406 0.030 . 1 . . . . 54 ALA HB . 11262 1 598 . 1 1 54 54 ALA HB3 H 1 1.406 0.030 . 1 . . . . 54 ALA HB . 11262 1 599 . 1 1 54 54 ALA C C 13 178.686 0.300 . 1 . . . . 54 ALA C . 11262 1 600 . 1 1 54 54 ALA CA C 13 55.486 0.300 . 1 . . . . 54 ALA CA . 11262 1 601 . 1 1 54 54 ALA CB C 13 18.369 0.300 . 1 . . . . 54 ALA CB . 11262 1 602 . 1 1 54 54 ALA N N 15 128.573 0.300 . 1 . . . . 54 ALA N . 11262 1 603 . 1 1 55 55 ASP H H 1 8.548 0.030 . 1 . . . . 55 ASP H . 11262 1 604 . 1 1 55 55 ASP HA H 1 4.460 0.030 . 1 . . . . 55 ASP HA . 11262 1 605 . 1 1 55 55 ASP HB2 H 1 2.707 0.030 . 1 . . . . 55 ASP HB2 . 11262 1 606 . 1 1 55 55 ASP HB3 H 1 2.707 0.030 . 1 . . . . 55 ASP HB3 . 11262 1 607 . 1 1 55 55 ASP C C 13 177.388 0.300 . 1 . . . . 55 ASP C . 11262 1 608 . 1 1 55 55 ASP CA C 13 55.804 0.300 . 1 . . . . 55 ASP CA . 11262 1 609 . 1 1 55 55 ASP CB C 13 39.917 0.300 . 1 . . . . 55 ASP CB . 11262 1 610 . 1 1 55 55 ASP N N 15 114.859 0.300 . 1 . . . . 55 ASP N . 11262 1 611 . 1 1 56 56 ARG H H 1 7.676 0.030 . 1 . . . . 56 ARG H . 11262 1 612 . 1 1 56 56 ARG HA H 1 4.280 0.030 . 1 . . . . 56 ARG HA . 11262 1 613 . 1 1 56 56 ARG HB2 H 1 1.758 0.030 . 2 . . . . 56 ARG HB2 . 11262 1 614 . 1 1 56 56 ARG HB3 H 1 2.355 0.030 . 2 . . . . 56 ARG HB3 . 11262 1 615 . 1 1 56 56 ARG HD2 H 1 3.088 0.030 . 2 . . . . 56 ARG HD2 . 11262 1 616 . 1 1 56 56 ARG HD3 H 1 3.220 0.030 . 2 . . . . 56 ARG HD3 . 11262 1 617 . 1 1 56 56 ARG HG2 H 1 1.772 0.030 . 2 . . . . 56 ARG HG2 . 11262 1 618 . 1 1 56 56 ARG HG3 H 1 1.545 0.030 . 2 . . . . 56 ARG HG3 . 11262 1 619 . 1 1 56 56 ARG C C 13 175.343 0.300 . 1 . . . . 56 ARG C . 11262 1 620 . 1 1 56 56 ARG CA C 13 55.735 0.300 . 1 . . . . 56 ARG CA . 11262 1 621 . 1 1 56 56 ARG CB C 13 31.184 0.300 . 1 . . . . 56 ARG CB . 11262 1 622 . 1 1 56 56 ARG CD C 13 43.685 0.300 . 1 . . . . 56 ARG CD . 11262 1 623 . 1 1 56 56 ARG CG C 13 27.297 0.300 . 1 . . . . 56 ARG CG . 11262 1 624 . 1 1 56 56 ARG N N 15 116.813 0.300 . 1 . . . . 56 ARG N . 11262 1 625 . 1 1 57 57 LEU H H 1 7.294 0.030 . 1 . . . . 57 LEU H . 11262 1 626 . 1 1 57 57 LEU HA H 1 4.730 0.030 . 1 . . . . 57 LEU HA . 11262 1 627 . 1 1 57 57 LEU HB2 H 1 1.836 0.030 . 2 . . . . 57 LEU HB2 . 11262 1 628 . 1 1 57 57 LEU HB3 H 1 0.926 0.030 . 2 . . . . 57 LEU HB3 . 11262 1 629 . 1 1 57 57 LEU HD11 H 1 0.653 0.030 . 1 . . . . 57 LEU HD1 . 11262 1 630 . 1 1 57 57 LEU HD12 H 1 0.653 0.030 . 1 . . . . 57 LEU HD1 . 11262 1 631 . 1 1 57 57 LEU HD13 H 1 0.653 0.030 . 1 . . . . 57 LEU HD1 . 11262 1 632 . 1 1 57 57 LEU HD21 H 1 0.616 0.030 . 1 . . . . 57 LEU HD2 . 11262 1 633 . 1 1 57 57 LEU HD22 H 1 0.616 0.030 . 1 . . . . 57 LEU HD2 . 11262 1 634 . 1 1 57 57 LEU HD23 H 1 0.616 0.030 . 1 . . . . 57 LEU HD2 . 11262 1 635 . 1 1 57 57 LEU HG H 1 1.622 0.030 . 1 . . . . 57 LEU HG . 11262 1 636 . 1 1 57 57 LEU C C 13 176.504 0.300 . 1 . . . . 57 LEU C . 11262 1 637 . 1 1 57 57 LEU CA C 13 54.833 0.300 . 1 . . . . 57 LEU CA . 11262 1 638 . 1 1 57 57 LEU CB C 13 43.701 0.300 . 1 . . . . 57 LEU CB . 11262 1 639 . 1 1 57 57 LEU CD1 C 13 27.044 0.300 . 2 . . . . 57 LEU CD1 . 11262 1 640 . 1 1 57 57 LEU CD2 C 13 24.439 0.300 . 2 . . . . 57 LEU CD2 . 11262 1 641 . 1 1 57 57 LEU CG C 13 26.568 0.300 . 1 . . . . 57 LEU CG . 11262 1 642 . 1 1 57 57 LEU N N 15 117.064 0.300 . 1 . . . . 57 LEU N . 11262 1 643 . 1 1 58 58 VAL H H 1 8.855 0.030 . 1 . . . . 58 VAL H . 11262 1 644 . 1 1 58 58 VAL HA H 1 4.029 0.030 . 1 . . . . 58 VAL HA . 11262 1 645 . 1 1 58 58 VAL HB H 1 1.970 0.030 . 1 . . . . 58 VAL HB . 11262 1 646 . 1 1 58 58 VAL HG11 H 1 0.886 0.030 . 1 . . . . 58 VAL HG1 . 11262 1 647 . 1 1 58 58 VAL HG12 H 1 0.886 0.030 . 1 . . . . 58 VAL HG1 . 11262 1 648 . 1 1 58 58 VAL HG13 H 1 0.886 0.030 . 1 . . . . 58 VAL HG1 . 11262 1 649 . 1 1 58 58 VAL HG21 H 1 0.886 0.030 . 1 . . . . 58 VAL HG2 . 11262 1 650 . 1 1 58 58 VAL HG22 H 1 0.886 0.030 . 1 . . . . 58 VAL HG2 . 11262 1 651 . 1 1 58 58 VAL HG23 H 1 0.886 0.030 . 1 . . . . 58 VAL HG2 . 11262 1 652 . 1 1 58 58 VAL C C 13 174.061 0.300 . 1 . . . . 58 VAL C . 11262 1 653 . 1 1 58 58 VAL CA C 13 61.952 0.300 . 1 . . . . 58 VAL CA . 11262 1 654 . 1 1 58 58 VAL CB C 13 34.008 0.300 . 1 . . . . 58 VAL CB . 11262 1 655 . 1 1 58 58 VAL CG1 C 13 20.902 0.300 . 2 . . . . 58 VAL CG1 . 11262 1 656 . 1 1 58 58 VAL CG2 C 13 20.902 0.300 . 2 . . . . 58 VAL CG2 . 11262 1 657 . 1 1 58 58 VAL N N 15 124.226 0.300 . 1 . . . . 58 VAL N . 11262 1 658 . 1 1 59 59 LEU H H 1 8.847 0.030 . 1 . . . . 59 LEU H . 11262 1 659 . 1 1 59 59 LEU HA H 1 5.162 0.030 . 1 . . . . 59 LEU HA . 11262 1 660 . 1 1 59 59 LEU HB2 H 1 1.376 0.030 . 2 . . . . 59 LEU HB2 . 11262 1 661 . 1 1 59 59 LEU HB3 H 1 1.415 0.030 . 2 . . . . 59 LEU HB3 . 11262 1 662 . 1 1 59 59 LEU HD11 H 1 0.837 0.030 . 1 . . . . 59 LEU HD1 . 11262 1 663 . 1 1 59 59 LEU HD12 H 1 0.837 0.030 . 1 . . . . 59 LEU HD1 . 11262 1 664 . 1 1 59 59 LEU HD13 H 1 0.837 0.030 . 1 . . . . 59 LEU HD1 . 11262 1 665 . 1 1 59 59 LEU HD21 H 1 0.532 0.030 . 1 . . . . 59 LEU HD2 . 11262 1 666 . 1 1 59 59 LEU HD22 H 1 0.532 0.030 . 1 . . . . 59 LEU HD2 . 11262 1 667 . 1 1 59 59 LEU HD23 H 1 0.532 0.030 . 1 . . . . 59 LEU HD2 . 11262 1 668 . 1 1 59 59 LEU HG H 1 1.388 0.030 . 1 . . . . 59 LEU HG . 11262 1 669 . 1 1 59 59 LEU C C 13 174.975 0.300 . 1 . . . . 59 LEU C . 11262 1 670 . 1 1 59 59 LEU CA C 13 53.756 0.300 . 1 . . . . 59 LEU CA . 11262 1 671 . 1 1 59 59 LEU CB C 13 44.717 0.300 . 1 . . . . 59 LEU CB . 11262 1 672 . 1 1 59 59 LEU CD1 C 13 20.737 0.300 . 2 . . . . 59 LEU CD1 . 11262 1 673 . 1 1 59 59 LEU CD2 C 13 25.836 0.300 . 2 . . . . 59 LEU CD2 . 11262 1 674 . 1 1 59 59 LEU CG C 13 28.754 0.300 . 1 . . . . 59 LEU CG . 11262 1 675 . 1 1 59 59 LEU N N 15 127.525 0.300 . 1 . . . . 59 LEU N . 11262 1 676 . 1 1 60 60 ILE H H 1 9.240 0.030 . 1 . . . . 60 ILE H . 11262 1 677 . 1 1 60 60 ILE HA H 1 4.786 0.030 . 1 . . . . 60 ILE HA . 11262 1 678 . 1 1 60 60 ILE HB H 1 1.634 0.030 . 1 . . . . 60 ILE HB . 11262 1 679 . 1 1 60 60 ILE HD11 H 1 0.695 0.030 . 1 . . . . 60 ILE HD1 . 11262 1 680 . 1 1 60 60 ILE HD12 H 1 0.695 0.030 . 1 . . . . 60 ILE HD1 . 11262 1 681 . 1 1 60 60 ILE HD13 H 1 0.695 0.030 . 1 . . . . 60 ILE HD1 . 11262 1 682 . 1 1 60 60 ILE HG12 H 1 0.790 0.030 . 2 . . . . 60 ILE HG12 . 11262 1 683 . 1 1 60 60 ILE HG13 H 1 1.388 0.030 . 2 . . . . 60 ILE HG13 . 11262 1 684 . 1 1 60 60 ILE HG21 H 1 0.654 0.030 . 1 . . . . 60 ILE HG2 . 11262 1 685 . 1 1 60 60 ILE HG22 H 1 0.654 0.030 . 1 . . . . 60 ILE HG2 . 11262 1 686 . 1 1 60 60 ILE HG23 H 1 0.654 0.030 . 1 . . . . 60 ILE HG2 . 11262 1 687 . 1 1 60 60 ILE C C 13 175.053 0.300 . 1 . . . . 60 ILE C . 11262 1 688 . 1 1 60 60 ILE CA C 13 60.262 0.300 . 1 . . . . 60 ILE CA . 11262 1 689 . 1 1 60 60 ILE CB C 13 41.095 0.300 . 1 . . . . 60 ILE CB . 11262 1 690 . 1 1 60 60 ILE CD1 C 13 13.964 0.300 . 1 . . . . 60 ILE CD1 . 11262 1 691 . 1 1 60 60 ILE CG1 C 13 28.269 0.300 . 1 . . . . 60 ILE CG1 . 11262 1 692 . 1 1 60 60 ILE CG2 C 13 18.015 0.300 . 1 . . . . 60 ILE CG2 . 11262 1 693 . 1 1 60 60 ILE N N 15 123.112 0.300 . 1 . . . . 60 ILE N . 11262 1 694 . 1 1 61 61 PHE H H 1 9.220 0.030 . 1 . . . . 61 PHE H . 11262 1 695 . 1 1 61 61 PHE HA H 1 5.526 0.030 . 1 . . . . 61 PHE HA . 11262 1 696 . 1 1 61 61 PHE HB2 H 1 3.045 0.030 . 2 . . . . 61 PHE HB2 . 11262 1 697 . 1 1 61 61 PHE HB3 H 1 2.927 0.030 . 2 . . . . 61 PHE HB3 . 11262 1 698 . 1 1 61 61 PHE HD1 H 1 7.488 0.030 . 1 . . . . 61 PHE HD1 . 11262 1 699 . 1 1 61 61 PHE HD2 H 1 7.488 0.030 . 1 . . . . 61 PHE HD2 . 11262 1 700 . 1 1 61 61 PHE HE1 H 1 7.367 0.030 . 1 . . . . 61 PHE HE1 . 11262 1 701 . 1 1 61 61 PHE HE2 H 1 7.367 0.030 . 1 . . . . 61 PHE HE2 . 11262 1 702 . 1 1 61 61 PHE C C 13 176.011 0.300 . 1 . . . . 61 PHE C . 11262 1 703 . 1 1 61 61 PHE CA C 13 55.874 0.300 . 1 . . . . 61 PHE CA . 11262 1 704 . 1 1 61 61 PHE CB C 13 43.243 0.300 . 1 . . . . 61 PHE CB . 11262 1 705 . 1 1 61 61 PHE CD1 C 13 132.358 0.300 . 1 . . . . 61 PHE CD1 . 11262 1 706 . 1 1 61 61 PHE CD2 C 13 132.358 0.300 . 1 . . . . 61 PHE CD2 . 11262 1 707 . 1 1 61 61 PHE CE1 C 13 130.992 0.300 . 1 . . . . 61 PHE CE1 . 11262 1 708 . 1 1 61 61 PHE CE2 C 13 130.992 0.300 . 1 . . . . 61 PHE CE2 . 11262 1 709 . 1 1 61 61 PHE N N 15 125.863 0.300 . 1 . . . . 61 PHE N . 11262 1 710 . 1 1 62 62 THR HA H 1 3.587 0.030 . 1 . . . . 62 THR HA . 11262 1 711 . 1 1 62 62 THR HB H 1 4.048 0.030 . 1 . . . . 62 THR HB . 11262 1 712 . 1 1 62 62 THR HG21 H 1 0.765 0.030 . 1 . . . . 62 THR HG2 . 11262 1 713 . 1 1 62 62 THR HG22 H 1 0.765 0.030 . 1 . . . . 62 THR HG2 . 11262 1 714 . 1 1 62 62 THR HG23 H 1 0.765 0.030 . 1 . . . . 62 THR HG2 . 11262 1 715 . 1 1 62 62 THR C C 13 174.515 0.300 . 1 . . . . 62 THR C . 11262 1 716 . 1 1 62 62 THR CA C 13 61.885 0.300 . 1 . . . . 62 THR CA . 11262 1 717 . 1 1 62 62 THR CB C 13 68.530 0.300 . 1 . . . . 62 THR CB . 11262 1 718 . 1 1 62 62 THR CG2 C 13 21.889 0.300 . 1 . . . . 62 THR CG2 . 11262 1 719 . 1 1 63 63 GLY H H 1 8.361 0.030 . 1 . . . . 63 GLY H . 11262 1 720 . 1 1 63 63 GLY HA2 H 1 4.067 0.030 . 2 . . . . 63 GLY HA2 . 11262 1 721 . 1 1 63 63 GLY HA3 H 1 3.405 0.030 . 2 . . . . 63 GLY HA3 . 11262 1 722 . 1 1 63 63 GLY C C 13 173.551 0.300 . 1 . . . . 63 GLY C . 11262 1 723 . 1 1 63 63 GLY CA C 13 45.330 0.300 . 1 . . . . 63 GLY CA . 11262 1 724 . 1 1 63 63 GLY N N 15 104.081 0.300 . 1 . . . . 63 GLY N . 11262 1 725 . 1 1 64 64 LYS H H 1 7.801 0.030 . 1 . . . . 64 LYS H . 11262 1 726 . 1 1 64 64 LYS HA H 1 4.661 0.030 . 1 . . . . 64 LYS HA . 11262 1 727 . 1 1 64 64 LYS HB2 H 1 1.845 0.030 . 2 . . . . 64 LYS HB2 . 11262 1 728 . 1 1 64 64 LYS HB3 H 1 1.913 0.030 . 2 . . . . 64 LYS HB3 . 11262 1 729 . 1 1 64 64 LYS HD2 H 1 1.726 0.030 . 2 . . . . 64 LYS HD2 . 11262 1 730 . 1 1 64 64 LYS HD3 H 1 1.663 0.030 . 2 . . . . 64 LYS HD3 . 11262 1 731 . 1 1 64 64 LYS HE2 H 1 3.044 0.030 . 1 . . . . 64 LYS HE2 . 11262 1 732 . 1 1 64 64 LYS HE3 H 1 3.044 0.030 . 1 . . . . 64 LYS HE3 . 11262 1 733 . 1 1 64 64 LYS HG2 H 1 1.449 0.030 . 2 . . . . 64 LYS HG2 . 11262 1 734 . 1 1 64 64 LYS HG3 H 1 1.411 0.030 . 2 . . . . 64 LYS HG3 . 11262 1 735 . 1 1 64 64 LYS C C 13 175.041 0.300 . 1 . . . . 64 LYS C . 11262 1 736 . 1 1 64 64 LYS CA C 13 54.447 0.300 . 1 . . . . 64 LYS CA . 11262 1 737 . 1 1 64 64 LYS CB C 13 34.213 0.300 . 1 . . . . 64 LYS CB . 11262 1 738 . 1 1 64 64 LYS CD C 13 28.997 0.300 . 1 . . . . 64 LYS CD . 11262 1 739 . 1 1 64 64 LYS CE C 13 42.361 0.300 . 1 . . . . 64 LYS CE . 11262 1 740 . 1 1 64 64 LYS CG C 13 24.521 0.300 . 1 . . . . 64 LYS CG . 11262 1 741 . 1 1 64 64 LYS N N 15 121.315 0.300 . 1 . . . . 64 LYS N . 11262 1 742 . 1 1 65 65 ILE H H 1 8.553 0.030 . 1 . . . . 65 ILE H . 11262 1 743 . 1 1 65 65 ILE HA H 1 4.244 0.030 . 1 . . . . 65 ILE HA . 11262 1 744 . 1 1 65 65 ILE HB H 1 1.721 0.030 . 1 . . . . 65 ILE HB . 11262 1 745 . 1 1 65 65 ILE HD11 H 1 0.859 0.030 . 1 . . . . 65 ILE HD1 . 11262 1 746 . 1 1 65 65 ILE HD12 H 1 0.859 0.030 . 1 . . . . 65 ILE HD1 . 11262 1 747 . 1 1 65 65 ILE HD13 H 1 0.859 0.030 . 1 . . . . 65 ILE HD1 . 11262 1 748 . 1 1 65 65 ILE HG12 H 1 1.608 0.030 . 2 . . . . 65 ILE HG12 . 11262 1 749 . 1 1 65 65 ILE HG13 H 1 0.976 0.030 . 2 . . . . 65 ILE HG13 . 11262 1 750 . 1 1 65 65 ILE HG21 H 1 0.907 0.030 . 1 . . . . 65 ILE HG2 . 11262 1 751 . 1 1 65 65 ILE HG22 H 1 0.907 0.030 . 1 . . . . 65 ILE HG2 . 11262 1 752 . 1 1 65 65 ILE HG23 H 1 0.907 0.030 . 1 . . . . 65 ILE HG2 . 11262 1 753 . 1 1 65 65 ILE C C 13 177.347 0.300 . 1 . . . . 65 ILE C . 11262 1 754 . 1 1 65 65 ILE CA C 13 62.178 0.300 . 1 . . . . 65 ILE CA . 11262 1 755 . 1 1 65 65 ILE CB C 13 38.269 0.300 . 1 . . . . 65 ILE CB . 11262 1 756 . 1 1 65 65 ILE CD1 C 13 13.236 0.300 . 1 . . . . 65 ILE CD1 . 11262 1 757 . 1 1 65 65 ILE CG1 C 13 28.829 0.300 . 1 . . . . 65 ILE CG1 . 11262 1 758 . 1 1 65 65 ILE CG2 C 13 17.805 0.300 . 1 . . . . 65 ILE CG2 . 11262 1 759 . 1 1 65 65 ILE N N 15 124.129 0.300 . 1 . . . . 65 ILE N . 11262 1 760 . 1 1 66 66 LEU H H 1 8.732 0.030 . 1 . . . . 66 LEU H . 11262 1 761 . 1 1 66 66 LEU HA H 1 4.504 0.030 . 1 . . . . 66 LEU HA . 11262 1 762 . 1 1 66 66 LEU HB2 H 1 1.597 0.030 . 2 . . . . 66 LEU HB2 . 11262 1 763 . 1 1 66 66 LEU HB3 H 1 1.740 0.030 . 2 . . . . 66 LEU HB3 . 11262 1 764 . 1 1 66 66 LEU HD11 H 1 0.819 0.030 . 1 . . . . 66 LEU HD1 . 11262 1 765 . 1 1 66 66 LEU HD12 H 1 0.819 0.030 . 1 . . . . 66 LEU HD1 . 11262 1 766 . 1 1 66 66 LEU HD13 H 1 0.819 0.030 . 1 . . . . 66 LEU HD1 . 11262 1 767 . 1 1 66 66 LEU HD21 H 1 0.947 0.030 . 1 . . . . 66 LEU HD2 . 11262 1 768 . 1 1 66 66 LEU HD22 H 1 0.947 0.030 . 1 . . . . 66 LEU HD2 . 11262 1 769 . 1 1 66 66 LEU HD23 H 1 0.947 0.030 . 1 . . . . 66 LEU HD2 . 11262 1 770 . 1 1 66 66 LEU HG H 1 1.831 0.030 . 1 . . . . 66 LEU HG . 11262 1 771 . 1 1 66 66 LEU C C 13 176.116 0.300 . 1 . . . . 66 LEU C . 11262 1 772 . 1 1 66 66 LEU CA C 13 54.221 0.300 . 1 . . . . 66 LEU CA . 11262 1 773 . 1 1 66 66 LEU CB C 13 43.165 0.300 . 1 . . . . 66 LEU CB . 11262 1 774 . 1 1 66 66 LEU CD1 C 13 26.082 0.300 . 2 . . . . 66 LEU CD1 . 11262 1 775 . 1 1 66 66 LEU CD2 C 13 22.680 0.300 . 2 . . . . 66 LEU CD2 . 11262 1 776 . 1 1 66 66 LEU CG C 13 26.811 0.300 . 1 . . . . 66 LEU CG . 11262 1 777 . 1 1 66 66 LEU N N 15 128.528 0.300 . 1 . . . . 66 LEU N . 11262 1 778 . 1 1 67 67 ARG H H 1 8.813 0.030 . 1 . . . . 67 ARG H . 11262 1 779 . 1 1 67 67 ARG HA H 1 4.568 0.030 . 1 . . . . 67 ARG HA . 11262 1 780 . 1 1 67 67 ARG HB2 H 1 1.731 0.030 . 2 . . . . 67 ARG HB2 . 11262 1 781 . 1 1 67 67 ARG HB3 H 1 2.020 0.030 . 2 . . . . 67 ARG HB3 . 11262 1 782 . 1 1 67 67 ARG HD2 H 1 3.250 0.030 . 1 . . . . 67 ARG HD2 . 11262 1 783 . 1 1 67 67 ARG HD3 H 1 3.250 0.030 . 1 . . . . 67 ARG HD3 . 11262 1 784 . 1 1 67 67 ARG HG2 H 1 1.718 0.030 . 1 . . . . 67 ARG HG2 . 11262 1 785 . 1 1 67 67 ARG HG3 H 1 1.718 0.030 . 1 . . . . 67 ARG HG3 . 11262 1 786 . 1 1 67 67 ARG C C 13 177.726 0.300 . 1 . . . . 67 ARG C . 11262 1 787 . 1 1 67 67 ARG CA C 13 54.639 0.300 . 1 . . . . 67 ARG CA . 11262 1 788 . 1 1 67 67 ARG CB C 13 31.157 0.300 . 1 . . . . 67 ARG CB . 11262 1 789 . 1 1 67 67 ARG CD C 13 43.356 0.300 . 1 . . . . 67 ARG CD . 11262 1 790 . 1 1 67 67 ARG CG C 13 27.318 0.300 . 1 . . . . 67 ARG CG . 11262 1 791 . 1 1 67 67 ARG N N 15 122.681 0.300 . 1 . . . . 67 ARG N . 11262 1 792 . 1 1 68 68 ASP H H 1 8.647 0.030 . 1 . . . . 68 ASP H . 11262 1 793 . 1 1 68 68 ASP HA H 1 4.200 0.030 . 1 . . . . 68 ASP HA . 11262 1 794 . 1 1 68 68 ASP HB2 H 1 2.460 0.030 . 2 . . . . 68 ASP HB2 . 11262 1 795 . 1 1 68 68 ASP HB3 H 1 2.614 0.030 . 2 . . . . 68 ASP HB3 . 11262 1 796 . 1 1 68 68 ASP C C 13 177.103 0.300 . 1 . . . . 68 ASP C . 11262 1 797 . 1 1 68 68 ASP CA C 13 57.987 0.300 . 1 . . . . 68 ASP CA . 11262 1 798 . 1 1 68 68 ASP CB C 13 40.927 0.300 . 1 . . . . 68 ASP CB . 11262 1 799 . 1 1 68 68 ASP N N 15 121.894 0.300 . 1 . . . . 68 ASP N . 11262 1 800 . 1 1 69 69 GLN H H 1 8.471 0.030 . 1 . . . . 69 GLN H . 11262 1 801 . 1 1 69 69 GLN HA H 1 4.323 0.030 . 1 . . . . 69 GLN HA . 11262 1 802 . 1 1 69 69 GLN HB2 H 1 2.121 0.030 . 2 . . . . 69 GLN HB2 . 11262 1 803 . 1 1 69 69 GLN HB3 H 1 2.171 0.030 . 2 . . . . 69 GLN HB3 . 11262 1 804 . 1 1 69 69 GLN HE21 H 1 6.932 0.030 . 2 . . . . 69 GLN HE21 . 11262 1 805 . 1 1 69 69 GLN HE22 H 1 7.663 0.030 . 2 . . . . 69 GLN HE22 . 11262 1 806 . 1 1 69 69 GLN HG2 H 1 2.458 0.030 . 2 . . . . 69 GLN HG2 . 11262 1 807 . 1 1 69 69 GLN HG3 H 1 2.384 0.030 . 2 . . . . 69 GLN HG3 . 11262 1 808 . 1 1 69 69 GLN C C 13 177.039 0.300 . 1 . . . . 69 GLN C . 11262 1 809 . 1 1 69 69 GLN CA C 13 56.181 0.300 . 1 . . . . 69 GLN CA . 11262 1 810 . 1 1 69 69 GLN CB C 13 28.512 0.300 . 1 . . . . 69 GLN CB . 11262 1 811 . 1 1 69 69 GLN CG C 13 33.614 0.300 . 1 . . . . 69 GLN CG . 11262 1 812 . 1 1 69 69 GLN N N 15 112.614 0.300 . 1 . . . . 69 GLN N . 11262 1 813 . 1 1 69 69 GLN NE2 N 15 112.378 0.300 . 1 . . . . 69 GLN NE2 . 11262 1 814 . 1 1 70 70 ASP H H 1 8.048 0.030 . 1 . . . . 70 ASP H . 11262 1 815 . 1 1 70 70 ASP HA H 1 4.480 0.030 . 1 . . . . 70 ASP HA . 11262 1 816 . 1 1 70 70 ASP HB2 H 1 2.286 0.030 . 2 . . . . 70 ASP HB2 . 11262 1 817 . 1 1 70 70 ASP HB3 H 1 3.121 0.030 . 2 . . . . 70 ASP HB3 . 11262 1 818 . 1 1 70 70 ASP C C 13 174.635 0.300 . 1 . . . . 70 ASP C . 11262 1 819 . 1 1 70 70 ASP CA C 13 55.621 0.300 . 1 . . . . 70 ASP CA . 11262 1 820 . 1 1 70 70 ASP CB C 13 41.341 0.300 . 1 . . . . 70 ASP CB . 11262 1 821 . 1 1 70 70 ASP N N 15 122.671 0.300 . 1 . . . . 70 ASP N . 11262 1 822 . 1 1 71 71 ILE H H 1 8.445 0.030 . 1 . . . . 71 ILE H . 11262 1 823 . 1 1 71 71 ILE HA H 1 4.444 0.030 . 1 . . . . 71 ILE HA . 11262 1 824 . 1 1 71 71 ILE HB H 1 1.690 0.030 . 1 . . . . 71 ILE HB . 11262 1 825 . 1 1 71 71 ILE HD11 H 1 0.843 0.030 . 1 . . . . 71 ILE HD1 . 11262 1 826 . 1 1 71 71 ILE HD12 H 1 0.843 0.030 . 1 . . . . 71 ILE HD1 . 11262 1 827 . 1 1 71 71 ILE HD13 H 1 0.843 0.030 . 1 . . . . 71 ILE HD1 . 11262 1 828 . 1 1 71 71 ILE HG12 H 1 1.361 0.030 . 2 . . . . 71 ILE HG12 . 11262 1 829 . 1 1 71 71 ILE HG13 H 1 1.564 0.030 . 2 . . . . 71 ILE HG13 . 11262 1 830 . 1 1 71 71 ILE HG21 H 1 0.999 0.030 . 1 . . . . 71 ILE HG2 . 11262 1 831 . 1 1 71 71 ILE HG22 H 1 0.999 0.030 . 1 . . . . 71 ILE HG2 . 11262 1 832 . 1 1 71 71 ILE HG23 H 1 0.999 0.030 . 1 . . . . 71 ILE HG2 . 11262 1 833 . 1 1 71 71 ILE C C 13 178.514 0.300 . 1 . . . . 71 ILE C . 11262 1 834 . 1 1 71 71 ILE CA C 13 58.794 0.300 . 1 . . . . 71 ILE CA . 11262 1 835 . 1 1 71 71 ILE CB C 13 38.122 0.300 . 1 . . . . 71 ILE CB . 11262 1 836 . 1 1 71 71 ILE CD1 C 13 11.396 0.300 . 1 . . . . 71 ILE CD1 . 11262 1 837 . 1 1 71 71 ILE CG1 C 13 27.540 0.300 . 1 . . . . 71 ILE CG1 . 11262 1 838 . 1 1 71 71 ILE CG2 C 13 17.541 0.300 . 1 . . . . 71 ILE CG2 . 11262 1 839 . 1 1 71 71 ILE N N 15 121.096 0.300 . 1 . . . . 71 ILE N . 11262 1 840 . 1 1 72 72 LEU H H 1 8.403 0.030 . 1 . . . . 72 LEU H . 11262 1 841 . 1 1 72 72 LEU HA H 1 3.585 0.030 . 1 . . . . 72 LEU HA . 11262 1 842 . 1 1 72 72 LEU HB2 H 1 1.264 0.030 . 2 . . . . 72 LEU HB2 . 11262 1 843 . 1 1 72 72 LEU HB3 H 1 1.929 0.030 . 2 . . . . 72 LEU HB3 . 11262 1 844 . 1 1 72 72 LEU HD11 H 1 0.456 0.030 . 1 . . . . 72 LEU HD1 . 11262 1 845 . 1 1 72 72 LEU HD12 H 1 0.456 0.030 . 1 . . . . 72 LEU HD1 . 11262 1 846 . 1 1 72 72 LEU HD13 H 1 0.456 0.030 . 1 . . . . 72 LEU HD1 . 11262 1 847 . 1 1 72 72 LEU HD21 H 1 0.474 0.030 . 1 . . . . 72 LEU HD2 . 11262 1 848 . 1 1 72 72 LEU HD22 H 1 0.474 0.030 . 1 . . . . 72 LEU HD2 . 11262 1 849 . 1 1 72 72 LEU HD23 H 1 0.474 0.030 . 1 . . . . 72 LEU HD2 . 11262 1 850 . 1 1 72 72 LEU HG H 1 1.672 0.030 . 1 . . . . 72 LEU HG . 11262 1 851 . 1 1 72 72 LEU C C 13 179.381 0.300 . 1 . . . . 72 LEU C . 11262 1 852 . 1 1 72 72 LEU CA C 13 60.263 0.300 . 1 . . . . 72 LEU CA . 11262 1 853 . 1 1 72 72 LEU CB C 13 39.222 0.300 . 1 . . . . 72 LEU CB . 11262 1 854 . 1 1 72 72 LEU CD1 C 13 25.520 0.300 . 2 . . . . 72 LEU CD1 . 11262 1 855 . 1 1 72 72 LEU CD2 C 13 22.923 0.300 . 2 . . . . 72 LEU CD2 . 11262 1 856 . 1 1 72 72 LEU CG C 13 27.054 0.300 . 1 . . . . 72 LEU CG . 11262 1 857 . 1 1 72 72 LEU N N 15 125.707 0.300 . 1 . . . . 72 LEU N . 11262 1 858 . 1 1 73 73 SER H H 1 7.865 0.030 . 1 . . . . 73 SER H . 11262 1 859 . 1 1 73 73 SER HA H 1 4.149 0.030 . 1 . . . . 73 SER HA . 11262 1 860 . 1 1 73 73 SER HB2 H 1 3.759 0.030 . 2 . . . . 73 SER HB2 . 11262 1 861 . 1 1 73 73 SER HB3 H 1 3.852 0.030 . 2 . . . . 73 SER HB3 . 11262 1 862 . 1 1 73 73 SER C C 13 178.013 0.300 . 1 . . . . 73 SER C . 11262 1 863 . 1 1 73 73 SER CA C 13 60.807 0.300 . 1 . . . . 73 SER CA . 11262 1 864 . 1 1 73 73 SER CB C 13 61.652 0.300 . 1 . . . . 73 SER CB . 11262 1 865 . 1 1 73 73 SER N N 15 111.259 0.300 . 1 . . . . 73 SER N . 11262 1 866 . 1 1 74 74 GLN H H 1 6.952 0.030 . 1 . . . . 74 GLN H . 11262 1 867 . 1 1 74 74 GLN HA H 1 4.235 0.030 . 1 . . . . 74 GLN HA . 11262 1 868 . 1 1 74 74 GLN HB2 H 1 2.158 0.030 . 2 . . . . 74 GLN HB2 . 11262 1 869 . 1 1 74 74 GLN HB3 H 1 2.321 0.030 . 2 . . . . 74 GLN HB3 . 11262 1 870 . 1 1 74 74 GLN HE21 H 1 7.613 0.030 . 2 . . . . 74 GLN HE21 . 11262 1 871 . 1 1 74 74 GLN HE22 H 1 6.913 0.030 . 2 . . . . 74 GLN HE22 . 11262 1 872 . 1 1 74 74 GLN HG2 H 1 2.441 0.030 . 1 . . . . 74 GLN HG2 . 11262 1 873 . 1 1 74 74 GLN HG3 H 1 2.441 0.030 . 1 . . . . 74 GLN HG3 . 11262 1 874 . 1 1 74 74 GLN C C 13 177.489 0.300 . 1 . . . . 74 GLN C . 11262 1 875 . 1 1 74 74 GLN CA C 13 57.536 0.300 . 1 . . . . 74 GLN CA . 11262 1 876 . 1 1 74 74 GLN CB C 13 28.269 0.300 . 1 . . . . 74 GLN CB . 11262 1 877 . 1 1 74 74 GLN CG C 13 33.980 0.300 . 1 . . . . 74 GLN CG . 11262 1 878 . 1 1 74 74 GLN N N 15 121.908 0.300 . 1 . . . . 74 GLN N . 11262 1 879 . 1 1 74 74 GLN NE2 N 15 111.930 0.300 . 1 . . . . 74 GLN NE2 . 11262 1 880 . 1 1 75 75 ARG H H 1 7.548 0.030 . 1 . . . . 75 ARG H . 11262 1 881 . 1 1 75 75 ARG HA H 1 4.576 0.030 . 1 . . . . 75 ARG HA . 11262 1 882 . 1 1 75 75 ARG HB2 H 1 1.736 0.030 . 2 . . . . 75 ARG HB2 . 11262 1 883 . 1 1 75 75 ARG HB3 H 1 2.156 0.030 . 2 . . . . 75 ARG HB3 . 11262 1 884 . 1 1 75 75 ARG HD2 H 1 3.264 0.030 . 2 . . . . 75 ARG HD2 . 11262 1 885 . 1 1 75 75 ARG HD3 H 1 3.325 0.030 . 2 . . . . 75 ARG HD3 . 11262 1 886 . 1 1 75 75 ARG HG2 H 1 1.640 0.030 . 2 . . . . 75 ARG HG2 . 11262 1 887 . 1 1 75 75 ARG HG3 H 1 1.751 0.030 . 2 . . . . 75 ARG HG3 . 11262 1 888 . 1 1 75 75 ARG C C 13 175.582 0.300 . 1 . . . . 75 ARG C . 11262 1 889 . 1 1 75 75 ARG CA C 13 53.351 0.300 . 1 . . . . 75 ARG CA . 11262 1 890 . 1 1 75 75 ARG CB C 13 29.969 0.300 . 1 . . . . 75 ARG CB . 11262 1 891 . 1 1 75 75 ARG CD C 13 41.883 0.300 . 1 . . . . 75 ARG CD . 11262 1 892 . 1 1 75 75 ARG CG C 13 26.331 0.300 . 1 . . . . 75 ARG CG . 11262 1 893 . 1 1 75 75 ARG N N 15 116.252 0.300 . 1 . . . . 75 ARG N . 11262 1 894 . 1 1 76 76 GLY H H 1 7.507 0.030 . 1 . . . . 76 GLY H . 11262 1 895 . 1 1 76 76 GLY HA2 H 1 4.288 0.030 . 2 . . . . 76 GLY HA2 . 11262 1 896 . 1 1 76 76 GLY HA3 H 1 3.640 0.030 . 2 . . . . 76 GLY HA3 . 11262 1 897 . 1 1 76 76 GLY C C 13 173.135 0.300 . 1 . . . . 76 GLY C . 11262 1 898 . 1 1 76 76 GLY CA C 13 45.550 0.300 . 1 . . . . 76 GLY CA . 11262 1 899 . 1 1 76 76 GLY N N 15 105.533 0.300 . 1 . . . . 76 GLY N . 11262 1 900 . 1 1 77 77 ILE H H 1 7.226 0.030 . 1 . . . . 77 ILE H . 11262 1 901 . 1 1 77 77 ILE HA H 1 3.324 0.030 . 1 . . . . 77 ILE HA . 11262 1 902 . 1 1 77 77 ILE HB H 1 1.254 0.030 . 1 . . . . 77 ILE HB . 11262 1 903 . 1 1 77 77 ILE HD11 H 1 0.312 0.030 . 1 . . . . 77 ILE HD1 . 11262 1 904 . 1 1 77 77 ILE HD12 H 1 0.312 0.030 . 1 . . . . 77 ILE HD1 . 11262 1 905 . 1 1 77 77 ILE HD13 H 1 0.312 0.030 . 1 . . . . 77 ILE HD1 . 11262 1 906 . 1 1 77 77 ILE HG12 H 1 -0.566 0.030 . 2 . . . . 77 ILE HG12 . 11262 1 907 . 1 1 77 77 ILE HG13 H 1 0.507 0.030 . 2 . . . . 77 ILE HG13 . 11262 1 908 . 1 1 77 77 ILE HG21 H 1 0.365 0.030 . 1 . . . . 77 ILE HG2 . 11262 1 909 . 1 1 77 77 ILE HG22 H 1 0.365 0.030 . 1 . . . . 77 ILE HG2 . 11262 1 910 . 1 1 77 77 ILE HG23 H 1 0.365 0.030 . 1 . . . . 77 ILE HG2 . 11262 1 911 . 1 1 77 77 ILE C C 13 172.929 0.300 . 1 . . . . 77 ILE C . 11262 1 912 . 1 1 77 77 ILE CA C 13 61.983 0.300 . 1 . . . . 77 ILE CA . 11262 1 913 . 1 1 77 77 ILE CB C 13 35.480 0.300 . 1 . . . . 77 ILE CB . 11262 1 914 . 1 1 77 77 ILE CD1 C 13 14.420 0.300 . 1 . . . . 77 ILE CD1 . 11262 1 915 . 1 1 77 77 ILE CG1 C 13 27.297 0.300 . 1 . . . . 77 ILE CG1 . 11262 1 916 . 1 1 77 77 ILE CG2 C 13 18.165 0.300 . 1 . . . . 77 ILE CG2 . 11262 1 917 . 1 1 77 77 ILE N N 15 121.124 0.300 . 1 . . . . 77 ILE N . 11262 1 918 . 1 1 78 78 LEU H H 1 7.674 0.030 . 1 . . . . 78 LEU H . 11262 1 919 . 1 1 78 78 LEU HA H 1 4.447 0.030 . 1 . . . . 78 LEU HA . 11262 1 920 . 1 1 78 78 LEU HB2 H 1 1.586 0.030 . 2 . . . . 78 LEU HB2 . 11262 1 921 . 1 1 78 78 LEU HB3 H 1 1.634 0.030 . 2 . . . . 78 LEU HB3 . 11262 1 922 . 1 1 78 78 LEU HD11 H 1 0.796 0.030 . 1 . . . . 78 LEU HD1 . 11262 1 923 . 1 1 78 78 LEU HD12 H 1 0.796 0.030 . 1 . . . . 78 LEU HD1 . 11262 1 924 . 1 1 78 78 LEU HD13 H 1 0.796 0.030 . 1 . . . . 78 LEU HD1 . 11262 1 925 . 1 1 78 78 LEU HD21 H 1 0.898 0.030 . 1 . . . . 78 LEU HD2 . 11262 1 926 . 1 1 78 78 LEU HD22 H 1 0.898 0.030 . 1 . . . . 78 LEU HD2 . 11262 1 927 . 1 1 78 78 LEU HD23 H 1 0.898 0.030 . 1 . . . . 78 LEU HD2 . 11262 1 928 . 1 1 78 78 LEU C C 13 176.703 0.300 . 1 . . . . 78 LEU C . 11262 1 929 . 1 1 78 78 LEU CA C 13 52.718 0.300 . 1 . . . . 78 LEU CA . 11262 1 930 . 1 1 78 78 LEU CB C 13 44.547 0.300 . 1 . . . . 78 LEU CB . 11262 1 931 . 1 1 78 78 LEU CD1 C 13 23.018 0.300 . 2 . . . . 78 LEU CD1 . 11262 1 932 . 1 1 78 78 LEU CD2 C 13 25.433 0.300 . 2 . . . . 78 LEU CD2 . 11262 1 933 . 1 1 78 78 LEU N N 15 125.704 0.300 . 1 . . . . 78 LEU N . 11262 1 934 . 1 1 79 79 ASP H H 1 8.384 0.030 . 1 . . . . 79 ASP H . 11262 1 935 . 1 1 79 79 ASP HA H 1 4.560 0.030 . 1 . . . . 79 ASP HA . 11262 1 936 . 1 1 79 79 ASP HB2 H 1 2.633 0.030 . 2 . . . . 79 ASP HB2 . 11262 1 937 . 1 1 79 79 ASP C C 13 177.902 0.300 . 1 . . . . 79 ASP C . 11262 1 938 . 1 1 79 79 ASP CA C 13 56.959 0.300 . 1 . . . . 79 ASP CA . 11262 1 939 . 1 1 79 79 ASP CB C 13 42.101 0.300 . 1 . . . . 79 ASP CB . 11262 1 940 . 1 1 79 79 ASP N N 15 118.336 0.300 . 1 . . . . 79 ASP N . 11262 1 941 . 1 1 80 80 GLY H H 1 9.910 0.030 . 1 . . . . 80 GLY H . 11262 1 942 . 1 1 80 80 GLY HA2 H 1 4.294 0.030 . 2 . . . . 80 GLY HA2 . 11262 1 943 . 1 1 80 80 GLY HA3 H 1 3.569 0.030 . 2 . . . . 80 GLY HA3 . 11262 1 944 . 1 1 80 80 GLY C C 13 175.448 0.300 . 1 . . . . 80 GLY C . 11262 1 945 . 1 1 80 80 GLY CA C 13 45.206 0.300 . 1 . . . . 80 GLY CA . 11262 1 946 . 1 1 80 80 GLY N N 15 115.706 0.300 . 1 . . . . 80 GLY N . 11262 1 947 . 1 1 81 81 SER H H 1 8.349 0.030 . 1 . . . . 81 SER H . 11262 1 948 . 1 1 81 81 SER HA H 1 4.578 0.030 . 1 . . . . 81 SER HA . 11262 1 949 . 1 1 81 81 SER HB2 H 1 3.978 0.030 . 2 . . . . 81 SER HB2 . 11262 1 950 . 1 1 81 81 SER HB3 H 1 4.117 0.030 . 2 . . . . 81 SER HB3 . 11262 1 951 . 1 1 81 81 SER C C 13 171.589 0.300 . 1 . . . . 81 SER C . 11262 1 952 . 1 1 81 81 SER CA C 13 61.017 0.300 . 1 . . . . 81 SER CA . 11262 1 953 . 1 1 81 81 SER CB C 13 64.847 0.300 . 1 . . . . 81 SER CB . 11262 1 954 . 1 1 81 81 SER N N 15 118.915 0.300 . 1 . . . . 81 SER N . 11262 1 955 . 1 1 82 82 THR H H 1 8.678 0.030 . 1 . . . . 82 THR H . 11262 1 956 . 1 1 82 82 THR HA H 1 5.371 0.030 . 1 . . . . 82 THR HA . 11262 1 957 . 1 1 82 82 THR HB H 1 3.982 0.030 . 1 . . . . 82 THR HB . 11262 1 958 . 1 1 82 82 THR HG21 H 1 0.886 0.030 . 1 . . . . 82 THR HG2 . 11262 1 959 . 1 1 82 82 THR HG22 H 1 0.886 0.030 . 1 . . . . 82 THR HG2 . 11262 1 960 . 1 1 82 82 THR HG23 H 1 0.886 0.030 . 1 . . . . 82 THR HG2 . 11262 1 961 . 1 1 82 82 THR C C 13 174.032 0.300 . 1 . . . . 82 THR C . 11262 1 962 . 1 1 82 82 THR CA C 13 62.181 0.300 . 1 . . . . 82 THR CA . 11262 1 963 . 1 1 82 82 THR CB C 13 70.865 0.300 . 1 . . . . 82 THR CB . 11262 1 964 . 1 1 82 82 THR CG2 C 13 21.231 0.300 . 1 . . . . 82 THR CG2 . 11262 1 965 . 1 1 82 82 THR N N 15 117.874 0.300 . 1 . . . . 82 THR N . 11262 1 966 . 1 1 83 83 VAL H H 1 9.172 0.030 . 1 . . . . 83 VAL H . 11262 1 967 . 1 1 83 83 VAL HA H 1 4.783 0.030 . 1 . . . . 83 VAL HA . 11262 1 968 . 1 1 83 83 VAL HB H 1 1.951 0.030 . 1 . . . . 83 VAL HB . 11262 1 969 . 1 1 83 83 VAL HG11 H 1 0.903 0.030 . 1 . . . . 83 VAL HG1 . 11262 1 970 . 1 1 83 83 VAL HG12 H 1 0.903 0.030 . 1 . . . . 83 VAL HG1 . 11262 1 971 . 1 1 83 83 VAL HG13 H 1 0.903 0.030 . 1 . . . . 83 VAL HG1 . 11262 1 972 . 1 1 83 83 VAL HG21 H 1 0.874 0.030 . 1 . . . . 83 VAL HG2 . 11262 1 973 . 1 1 83 83 VAL HG22 H 1 0.874 0.030 . 1 . . . . 83 VAL HG2 . 11262 1 974 . 1 1 83 83 VAL HG23 H 1 0.874 0.030 . 1 . . . . 83 VAL HG2 . 11262 1 975 . 1 1 83 83 VAL C C 13 173.642 0.300 . 1 . . . . 83 VAL C . 11262 1 976 . 1 1 83 83 VAL CA C 13 60.526 0.300 . 1 . . . . 83 VAL CA . 11262 1 977 . 1 1 83 83 VAL CB C 13 34.998 0.300 . 1 . . . . 83 VAL CB . 11262 1 978 . 1 1 83 83 VAL CG1 C 13 21.769 0.300 . 2 . . . . 83 VAL CG1 . 11262 1 979 . 1 1 83 83 VAL CG2 C 13 22.500 0.300 . 2 . . . . 83 VAL CG2 . 11262 1 980 . 1 1 83 83 VAL N N 15 124.872 0.300 . 1 . . . . 83 VAL N . 11262 1 981 . 1 1 84 84 HIS H H 1 9.165 0.030 . 1 . . . . 84 HIS H . 11262 1 982 . 1 1 84 84 HIS HA H 1 5.204 0.030 . 1 . . . . 84 HIS HA . 11262 1 983 . 1 1 84 84 HIS HB2 H 1 2.984 0.030 . 2 . . . . 84 HIS HB2 . 11262 1 984 . 1 1 84 84 HIS HB3 H 1 3.072 0.030 . 2 . . . . 84 HIS HB3 . 11262 1 985 . 1 1 84 84 HIS HD2 H 1 6.987 0.030 . 1 . . . . 84 HIS HD2 . 11262 1 986 . 1 1 84 84 HIS HE1 H 1 7.658 0.030 . 1 . . . . 84 HIS HE1 . 11262 1 987 . 1 1 84 84 HIS C C 13 174.726 0.300 . 1 . . . . 84 HIS C . 11262 1 988 . 1 1 84 84 HIS CA C 13 56.599 0.300 . 1 . . . . 84 HIS CA . 11262 1 989 . 1 1 84 84 HIS CB C 13 32.867 0.300 . 1 . . . . 84 HIS CB . 11262 1 990 . 1 1 84 84 HIS CD2 C 13 119.932 0.300 . 1 . . . . 84 HIS CD2 . 11262 1 991 . 1 1 84 84 HIS CE1 C 13 138.265 0.300 . 1 . . . . 84 HIS CE1 . 11262 1 992 . 1 1 84 84 HIS N N 15 125.478 0.300 . 1 . . . . 84 HIS N . 11262 1 993 . 1 1 85 85 VAL H H 1 8.340 0.030 . 1 . . . . 85 VAL H . 11262 1 994 . 1 1 85 85 VAL HA H 1 5.253 0.030 . 1 . . . . 85 VAL HA . 11262 1 995 . 1 1 85 85 VAL HB H 1 1.663 0.030 . 1 . . . . 85 VAL HB . 11262 1 996 . 1 1 85 85 VAL HG11 H 1 0.737 0.030 . 1 . . . . 85 VAL HG1 . 11262 1 997 . 1 1 85 85 VAL HG12 H 1 0.737 0.030 . 1 . . . . 85 VAL HG1 . 11262 1 998 . 1 1 85 85 VAL HG13 H 1 0.737 0.030 . 1 . . . . 85 VAL HG1 . 11262 1 999 . 1 1 85 85 VAL HG21 H 1 0.711 0.030 . 1 . . . . 85 VAL HG2 . 11262 1 1000 . 1 1 85 85 VAL HG22 H 1 0.711 0.030 . 1 . . . . 85 VAL HG2 . 11262 1 1001 . 1 1 85 85 VAL HG23 H 1 0.711 0.030 . 1 . . . . 85 VAL HG2 . 11262 1 1002 . 1 1 85 85 VAL C C 13 174.904 0.300 . 1 . . . . 85 VAL C . 11262 1 1003 . 1 1 85 85 VAL CA C 13 59.775 0.300 . 1 . . . . 85 VAL CA . 11262 1 1004 . 1 1 85 85 VAL CB C 13 35.224 0.300 . 1 . . . . 85 VAL CB . 11262 1 1005 . 1 1 85 85 VAL CG1 C 13 23.538 0.300 . 2 . . . . 85 VAL CG1 . 11262 1 1006 . 1 1 85 85 VAL CG2 C 13 22.207 0.300 . 2 . . . . 85 VAL CG2 . 11262 1 1007 . 1 1 85 85 VAL N N 15 119.859 0.300 . 1 . . . . 85 VAL N . 11262 1 1008 . 1 1 86 86 VAL H H 1 8.891 0.030 . 1 . . . . 86 VAL H . 11262 1 1009 . 1 1 86 86 VAL HA H 1 4.266 0.030 . 1 . . . . 86 VAL HA . 11262 1 1010 . 1 1 86 86 VAL HB H 1 1.891 0.030 . 1 . . . . 86 VAL HB . 11262 1 1011 . 1 1 86 86 VAL HG11 H 1 0.862 0.030 . 1 . . . . 86 VAL HG1 . 11262 1 1012 . 1 1 86 86 VAL HG12 H 1 0.862 0.030 . 1 . . . . 86 VAL HG1 . 11262 1 1013 . 1 1 86 86 VAL HG13 H 1 0.862 0.030 . 1 . . . . 86 VAL HG1 . 11262 1 1014 . 1 1 86 86 VAL HG21 H 1 0.862 0.030 . 1 . . . . 86 VAL HG2 . 11262 1 1015 . 1 1 86 86 VAL HG22 H 1 0.862 0.030 . 1 . . . . 86 VAL HG2 . 11262 1 1016 . 1 1 86 86 VAL HG23 H 1 0.862 0.030 . 1 . . . . 86 VAL HG2 . 11262 1 1017 . 1 1 86 86 VAL C C 13 174.158 0.300 . 1 . . . . 86 VAL C . 11262 1 1018 . 1 1 86 86 VAL CA C 13 60.938 0.300 . 1 . . . . 86 VAL CA . 11262 1 1019 . 1 1 86 86 VAL CB C 13 34.985 0.300 . 1 . . . . 86 VAL CB . 11262 1 1020 . 1 1 86 86 VAL CG1 C 13 21.222 0.300 . 2 . . . . 86 VAL CG1 . 11262 1 1021 . 1 1 86 86 VAL CG2 C 13 20.902 0.300 . 2 . . . . 86 VAL CG2 . 11262 1 1022 . 1 1 86 86 VAL N N 15 126.998 0.300 . 1 . . . . 86 VAL N . 11262 1 1023 . 1 1 87 87 VAL H H 1 8.431 0.030 . 1 . . . . 87 VAL H . 11262 1 1024 . 1 1 87 87 VAL HA H 1 4.404 0.030 . 1 . . . . 87 VAL HA . 11262 1 1025 . 1 1 87 87 VAL HB H 1 1.967 0.030 . 1 . . . . 87 VAL HB . 11262 1 1026 . 1 1 87 87 VAL HG11 H 1 0.850 0.030 . 1 . . . . 87 VAL HG1 . 11262 1 1027 . 1 1 87 87 VAL HG12 H 1 0.850 0.030 . 1 . . . . 87 VAL HG1 . 11262 1 1028 . 1 1 87 87 VAL HG13 H 1 0.850 0.030 . 1 . . . . 87 VAL HG1 . 11262 1 1029 . 1 1 87 87 VAL HG21 H 1 0.806 0.030 . 1 . . . . 87 VAL HG2 . 11262 1 1030 . 1 1 87 87 VAL HG22 H 1 0.806 0.030 . 1 . . . . 87 VAL HG2 . 11262 1 1031 . 1 1 87 87 VAL HG23 H 1 0.806 0.030 . 1 . . . . 87 VAL HG2 . 11262 1 1032 . 1 1 87 87 VAL C C 13 176.922 0.300 . 1 . . . . 87 VAL C . 11262 1 1033 . 1 1 87 87 VAL CA C 13 61.265 0.300 . 1 . . . . 87 VAL CA . 11262 1 1034 . 1 1 87 87 VAL CB C 13 32.200 0.300 . 1 . . . . 87 VAL CB . 11262 1 1035 . 1 1 87 87 VAL CG1 C 13 20.902 0.300 . 2 . . . . 87 VAL CG1 . 11262 1 1036 . 1 1 87 87 VAL CG2 C 13 20.494 0.300 . 2 . . . . 87 VAL CG2 . 11262 1 1037 . 1 1 87 87 VAL N N 15 125.362 0.300 . 1 . . . . 87 VAL N . 11262 1 1038 . 1 1 88 88 ARG H H 1 9.178 0.030 . 1 . . . . 88 ARG H . 11262 1 1039 . 1 1 88 88 ARG HA H 1 4.345 0.030 . 1 . . . . 88 ARG HA . 11262 1 1040 . 1 1 88 88 ARG HB2 H 1 1.768 0.030 . 2 . . . . 88 ARG HB2 . 11262 1 1041 . 1 1 88 88 ARG HB3 H 1 1.870 0.030 . 2 . . . . 88 ARG HB3 . 11262 1 1042 . 1 1 88 88 ARG HD2 H 1 3.130 0.030 . 1 . . . . 88 ARG HD2 . 11262 1 1043 . 1 1 88 88 ARG HD3 H 1 3.130 0.030 . 1 . . . . 88 ARG HD3 . 11262 1 1044 . 1 1 88 88 ARG HG2 H 1 1.615 0.030 . 2 . . . . 88 ARG HG2 . 11262 1 1045 . 1 1 88 88 ARG HG3 H 1 1.674 0.030 . 2 . . . . 88 ARG HG3 . 11262 1 1046 . 1 1 88 88 ARG C C 13 176.379 0.300 . 1 . . . . 88 ARG C . 11262 1 1047 . 1 1 88 88 ARG CA C 13 56.442 0.300 . 1 . . . . 88 ARG CA . 11262 1 1048 . 1 1 88 88 ARG CB C 13 31.427 0.300 . 1 . . . . 88 ARG CB . 11262 1 1049 . 1 1 88 88 ARG CD C 13 43.576 0.300 . 1 . . . . 88 ARG CD . 11262 1 1050 . 1 1 88 88 ARG CG C 13 27.297 0.300 . 1 . . . . 88 ARG CG . 11262 1 1051 . 1 1 88 88 ARG N N 15 128.280 0.300 . 1 . . . . 88 ARG N . 11262 1 1052 . 1 1 93 93 PRO HB2 H 1 2.306 0.030 . 1 . . . . 93 PRO HB2 . 11262 1 1053 . 1 1 93 93 PRO HB3 H 1 2.306 0.030 . 1 . . . . 93 PRO HB3 . 11262 1 1054 . 1 1 93 93 PRO HD2 H 1 3.644 0.030 . 1 . . . . 93 PRO HD2 . 11262 1 1055 . 1 1 93 93 PRO HD3 H 1 3.644 0.030 . 1 . . . . 93 PRO HD3 . 11262 1 1056 . 1 1 93 93 PRO HG2 H 1 2.020 0.030 . 1 . . . . 93 PRO HG2 . 11262 1 1057 . 1 1 93 93 PRO HG3 H 1 2.020 0.030 . 1 . . . . 93 PRO HG3 . 11262 1 1058 . 1 1 93 93 PRO CD C 13 49.808 0.300 . 1 . . . . 93 PRO CD . 11262 1 stop_ save_