data_11136 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11136 _Entry.Title ; Solution structure of the 12th KH type I domain from human Vigilin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 11136 2 T. Kigawa . . . 11136 3 S. Koshiba . . . 11136 4 M. Inoue . . . 11136 5 S. Yokoyama . . . 11136 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)' . 11136 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11136 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 11136 '15N chemical shifts' 95 11136 '1H chemical shifts' 702 11136 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-04-01 2010-03-31 original author . 11136 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CTK 'BMRB Entry Tracking System' 11136 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11136 _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 12th KH type I domain from human Vigilin' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 11136 1 2 T. Kigawa . . . 11136 1 3 S. Koshiba . . . 11136 1 4 M. Inoue . . . 11136 1 5 S. Yokoyama . . . 11136 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11136 _Assembly.ID 1 _Assembly.Name Vigilin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KH domain' 1 $entity_1 A . yes native no no . . . 11136 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 2ctk . . . . . . 11136 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11136 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'KH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGKEALEALVPVTIE VEVPFDLHRYVIGQKGSGIR KMMDEFEVNIHVPAPELQSD IIAITGLAANLDRAKAGLLE RVKELQAEQEDRALRSFKSG PSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2CTK . "Solution Structure Of The 12th Kh Type I Domain From Human Vigilin" . . . . . 100.00 104 100.00 100.00 6.97e-67 . . . . 11136 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'KH domain' . 11136 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 . 11136 1 2 . SER . 11136 1 3 . SER . 11136 1 4 . GLY . 11136 1 5 . SER . 11136 1 6 . SER . 11136 1 7 . GLY . 11136 1 8 . LYS . 11136 1 9 . GLU . 11136 1 10 . ALA . 11136 1 11 . LEU . 11136 1 12 . GLU . 11136 1 13 . ALA . 11136 1 14 . LEU . 11136 1 15 . VAL . 11136 1 16 . PRO . 11136 1 17 . VAL . 11136 1 18 . THR . 11136 1 19 . ILE . 11136 1 20 . GLU . 11136 1 21 . VAL . 11136 1 22 . GLU . 11136 1 23 . VAL . 11136 1 24 . PRO . 11136 1 25 . PHE . 11136 1 26 . ASP . 11136 1 27 . LEU . 11136 1 28 . HIS . 11136 1 29 . ARG . 11136 1 30 . TYR . 11136 1 31 . VAL . 11136 1 32 . ILE . 11136 1 33 . GLY . 11136 1 34 . GLN . 11136 1 35 . LYS . 11136 1 36 . GLY . 11136 1 37 . SER . 11136 1 38 . GLY . 11136 1 39 . ILE . 11136 1 40 . ARG . 11136 1 41 . LYS . 11136 1 42 . MET . 11136 1 43 . MET . 11136 1 44 . ASP . 11136 1 45 . GLU . 11136 1 46 . PHE . 11136 1 47 . GLU . 11136 1 48 . VAL . 11136 1 49 . ASN . 11136 1 50 . ILE . 11136 1 51 . HIS . 11136 1 52 . VAL . 11136 1 53 . PRO . 11136 1 54 . ALA . 11136 1 55 . PRO . 11136 1 56 . GLU . 11136 1 57 . LEU . 11136 1 58 . GLN . 11136 1 59 . SER . 11136 1 60 . ASP . 11136 1 61 . ILE . 11136 1 62 . ILE . 11136 1 63 . ALA . 11136 1 64 . ILE . 11136 1 65 . THR . 11136 1 66 . GLY . 11136 1 67 . LEU . 11136 1 68 . ALA . 11136 1 69 . ALA . 11136 1 70 . ASN . 11136 1 71 . LEU . 11136 1 72 . ASP . 11136 1 73 . ARG . 11136 1 74 . ALA . 11136 1 75 . LYS . 11136 1 76 . ALA . 11136 1 77 . GLY . 11136 1 78 . LEU . 11136 1 79 . LEU . 11136 1 80 . GLU . 11136 1 81 . ARG . 11136 1 82 . VAL . 11136 1 83 . LYS . 11136 1 84 . GLU . 11136 1 85 . LEU . 11136 1 86 . GLN . 11136 1 87 . ALA . 11136 1 88 . GLU . 11136 1 89 . GLN . 11136 1 90 . GLU . 11136 1 91 . ASP . 11136 1 92 . ARG . 11136 1 93 . ALA . 11136 1 94 . LEU . 11136 1 95 . ARG . 11136 1 96 . SER . 11136 1 97 . PHE . 11136 1 98 . LYS . 11136 1 99 . SER . 11136 1 100 . GLY . 11136 1 101 . PRO . 11136 1 102 . SER . 11136 1 103 . SER . 11136 1 104 . GLY . 11136 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 11136 1 . SER 2 2 11136 1 . SER 3 3 11136 1 . GLY 4 4 11136 1 . SER 5 5 11136 1 . SER 6 6 11136 1 . GLY 7 7 11136 1 . LYS 8 8 11136 1 . GLU 9 9 11136 1 . ALA 10 10 11136 1 . LEU 11 11 11136 1 . GLU 12 12 11136 1 . ALA 13 13 11136 1 . LEU 14 14 11136 1 . VAL 15 15 11136 1 . PRO 16 16 11136 1 . VAL 17 17 11136 1 . THR 18 18 11136 1 . ILE 19 19 11136 1 . GLU 20 20 11136 1 . VAL 21 21 11136 1 . GLU 22 22 11136 1 . VAL 23 23 11136 1 . PRO 24 24 11136 1 . PHE 25 25 11136 1 . ASP 26 26 11136 1 . LEU 27 27 11136 1 . HIS 28 28 11136 1 . ARG 29 29 11136 1 . TYR 30 30 11136 1 . VAL 31 31 11136 1 . ILE 32 32 11136 1 . GLY 33 33 11136 1 . GLN 34 34 11136 1 . LYS 35 35 11136 1 . GLY 36 36 11136 1 . SER 37 37 11136 1 . GLY 38 38 11136 1 . ILE 39 39 11136 1 . ARG 40 40 11136 1 . LYS 41 41 11136 1 . MET 42 42 11136 1 . MET 43 43 11136 1 . ASP 44 44 11136 1 . GLU 45 45 11136 1 . PHE 46 46 11136 1 . GLU 47 47 11136 1 . VAL 48 48 11136 1 . ASN 49 49 11136 1 . ILE 50 50 11136 1 . HIS 51 51 11136 1 . VAL 52 52 11136 1 . PRO 53 53 11136 1 . ALA 54 54 11136 1 . PRO 55 55 11136 1 . GLU 56 56 11136 1 . LEU 57 57 11136 1 . GLN 58 58 11136 1 . SER 59 59 11136 1 . ASP 60 60 11136 1 . ILE 61 61 11136 1 . ILE 62 62 11136 1 . ALA 63 63 11136 1 . ILE 64 64 11136 1 . THR 65 65 11136 1 . GLY 66 66 11136 1 . LEU 67 67 11136 1 . ALA 68 68 11136 1 . ALA 69 69 11136 1 . ASN 70 70 11136 1 . LEU 71 71 11136 1 . ASP 72 72 11136 1 . ARG 73 73 11136 1 . ALA 74 74 11136 1 . LYS 75 75 11136 1 . ALA 76 76 11136 1 . GLY 77 77 11136 1 . LEU 78 78 11136 1 . LEU 79 79 11136 1 . GLU 80 80 11136 1 . ARG 81 81 11136 1 . VAL 82 82 11136 1 . LYS 83 83 11136 1 . GLU 84 84 11136 1 . LEU 85 85 11136 1 . GLN 86 86 11136 1 . ALA 87 87 11136 1 . GLU 88 88 11136 1 . GLN 89 89 11136 1 . GLU 90 90 11136 1 . ASP 91 91 11136 1 . ARG 92 92 11136 1 . ALA 93 93 11136 1 . LEU 94 94 11136 1 . ARG 95 95 11136 1 . SER 96 96 11136 1 . PHE 97 97 11136 1 . LYS 98 98 11136 1 . SER 99 99 11136 1 . GLY 100 100 11136 1 . PRO 101 101 11136 1 . SER 102 102 11136 1 . SER 103 103 11136 1 . GLY 104 104 11136 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 11136 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11136 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 11136 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050131-01 . . . . . . 11136 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11136 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.28mM KH domain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O,10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.28 . . mM . . . . 11136 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11136 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11136 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11136 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11136 1 6 H2O . . . . . . solvent 90 . . % . . . . 11136 1 7 D2O . . . . . . solvent 10 . . % . . . . 11136 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 11136 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11136 1 pH 7.0 0.05 pH 11136 1 pressure 1 0.001 atm 11136 1 temperature 296 0.1 K 11136 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11136 _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 . . 11136 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11136 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11136 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11136 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11136 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11136 _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.' . . 11136 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11136 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11136 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11136 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11136 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11136 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11136 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11136 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 11136 _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 11136 _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 . . . 11136 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 11136 _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 . . . . . . . . . . . . . . . . 11136 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11136 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 11136 _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 . . . . . . . . . 11136 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11136 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11136 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 11136 _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 11136 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11136 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 . . 11136 1 2 $NMRPipe . . 11136 1 3 $NMRview . . 11136 1 4 $Kujira . . 11136 1 5 $CYANA . . 11136 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.763 0.030 . 1 . . . . 1 GLY HA2 . 11136 1 2 . 1 1 1 1 GLY HA3 H 1 3.763 0.030 . 1 . . . . 1 GLY HA3 . 11136 1 3 . 1 1 1 1 GLY CA C 13 41.338 0.300 . 1 . . . . 1 GLY CA . 11136 1 4 . 1 1 6 6 SER HA H 1 4.404 0.030 . 1 . . . . 6 SER HA . 11136 1 5 . 1 1 6 6 SER HB2 H 1 3.805 0.030 . 2 . . . . 6 SER HB2 . 11136 1 6 . 1 1 6 6 SER C C 13 172.792 0.300 . 1 . . . . 6 SER C . 11136 1 7 . 1 1 6 6 SER CA C 13 56.292 0.300 . 1 . . . . 6 SER CA . 11136 1 8 . 1 1 6 6 SER CB C 13 61.457 0.300 . 1 . . . . 6 SER CB . 11136 1 9 . 1 1 7 7 GLY H H 1 8.405 0.030 . 1 . . . . 7 GLY H . 11136 1 10 . 1 1 7 7 GLY HA2 H 1 3.901 0.030 . 1 . . . . 7 GLY HA2 . 11136 1 11 . 1 1 7 7 GLY HA3 H 1 3.901 0.030 . 1 . . . . 7 GLY HA3 . 11136 1 12 . 1 1 7 7 GLY C C 13 172.061 0.300 . 1 . . . . 7 GLY C . 11136 1 13 . 1 1 7 7 GLY CA C 13 43.087 0.300 . 1 . . . . 7 GLY CA . 11136 1 14 . 1 1 7 7 GLY N N 15 110.612 0.300 . 1 . . . . 7 GLY N . 11136 1 15 . 1 1 8 8 LYS H H 1 8.101 0.030 . 1 . . . . 8 LYS H . 11136 1 16 . 1 1 8 8 LYS HA H 1 4.184 0.030 . 1 . . . . 8 LYS HA . 11136 1 17 . 1 1 8 8 LYS HB2 H 1 1.765 0.030 . 2 . . . . 8 LYS HB2 . 11136 1 18 . 1 1 8 8 LYS HB3 H 1 1.642 0.030 . 2 . . . . 8 LYS HB3 . 11136 1 19 . 1 1 8 8 LYS HD2 H 1 1.585 0.030 . 1 . . . . 8 LYS HD2 . 11136 1 20 . 1 1 8 8 LYS HD3 H 1 1.585 0.030 . 1 . . . . 8 LYS HD3 . 11136 1 21 . 1 1 8 8 LYS HE2 H 1 2.889 0.030 . 1 . . . . 8 LYS HE2 . 11136 1 22 . 1 1 8 8 LYS HE3 H 1 2.889 0.030 . 1 . . . . 8 LYS HE3 . 11136 1 23 . 1 1 8 8 LYS HG2 H 1 1.304 0.030 . 1 . . . . 8 LYS HG2 . 11136 1 24 . 1 1 8 8 LYS HG3 H 1 1.304 0.030 . 1 . . . . 8 LYS HG3 . 11136 1 25 . 1 1 8 8 LYS C C 13 174.666 0.300 . 1 . . . . 8 LYS C . 11136 1 26 . 1 1 8 8 LYS CA C 13 54.445 0.300 . 1 . . . . 8 LYS CA . 11136 1 27 . 1 1 8 8 LYS CB C 13 30.602 0.300 . 1 . . . . 8 LYS CB . 11136 1 28 . 1 1 8 8 LYS CD C 13 26.836 0.300 . 1 . . . . 8 LYS CD . 11136 1 29 . 1 1 8 8 LYS CE C 13 39.942 0.300 . 1 . . . . 8 LYS CE . 11136 1 30 . 1 1 8 8 LYS CG C 13 22.302 0.300 . 1 . . . . 8 LYS CG . 11136 1 31 . 1 1 8 8 LYS N N 15 120.558 0.300 . 1 . . . . 8 LYS N . 11136 1 32 . 1 1 9 9 GLU H H 1 8.508 0.030 . 1 . . . . 9 GLU H . 11136 1 33 . 1 1 9 9 GLU HA H 1 4.094 0.030 . 1 . . . . 9 GLU HA . 11136 1 34 . 1 1 9 9 GLU HB2 H 1 1.864 0.030 . 1 . . . . 9 GLU HB2 . 11136 1 35 . 1 1 9 9 GLU HB3 H 1 1.864 0.030 . 1 . . . . 9 GLU HB3 . 11136 1 36 . 1 1 9 9 GLU HG2 H 1 2.186 0.030 . 1 . . . . 9 GLU HG2 . 11136 1 37 . 1 1 9 9 GLU HG3 H 1 2.186 0.030 . 1 . . . . 9 GLU HG3 . 11136 1 38 . 1 1 9 9 GLU C C 13 174.421 0.300 . 1 . . . . 9 GLU C . 11136 1 39 . 1 1 9 9 GLU CA C 13 55.083 0.300 . 1 . . . . 9 GLU CA . 11136 1 40 . 1 1 9 9 GLU CB C 13 27.500 0.300 . 1 . . . . 9 GLU CB . 11136 1 41 . 1 1 9 9 GLU CG C 13 34.199 0.300 . 1 . . . . 9 GLU CG . 11136 1 42 . 1 1 9 9 GLU N N 15 121.082 0.300 . 1 . . . . 9 GLU N . 11136 1 43 . 1 1 10 10 ALA H H 1 8.126 0.030 . 1 . . . . 10 ALA H . 11136 1 44 . 1 1 10 10 ALA HA H 1 4.189 0.030 . 1 . . . . 10 ALA HA . 11136 1 45 . 1 1 10 10 ALA HB1 H 1 1.289 0.030 . 1 . . . . 10 ALA HB . 11136 1 46 . 1 1 10 10 ALA HB2 H 1 1.289 0.030 . 1 . . . . 10 ALA HB . 11136 1 47 . 1 1 10 10 ALA HB3 H 1 1.289 0.030 . 1 . . . . 10 ALA HB . 11136 1 48 . 1 1 10 10 ALA C C 13 175.763 0.300 . 1 . . . . 10 ALA C . 11136 1 49 . 1 1 10 10 ALA CA C 13 50.430 0.300 . 1 . . . . 10 ALA CA . 11136 1 50 . 1 1 10 10 ALA CB C 13 16.544 0.300 . 1 . . . . 10 ALA CB . 11136 1 51 . 1 1 10 10 ALA N N 15 123.948 0.300 . 1 . . . . 10 ALA N . 11136 1 52 . 1 1 11 11 LEU H H 1 7.969 0.030 . 1 . . . . 11 LEU H . 11136 1 53 . 1 1 11 11 LEU HA H 1 4.170 0.030 . 1 . . . . 11 LEU HA . 11136 1 54 . 1 1 11 11 LEU HB2 H 1 1.637 0.030 . 2 . . . . 11 LEU HB2 . 11136 1 55 . 1 1 11 11 LEU HB3 H 1 1.520 0.030 . 2 . . . . 11 LEU HB3 . 11136 1 56 . 1 1 11 11 LEU HD11 H 1 0.831 0.030 . 1 . . . . 11 LEU HD1 . 11136 1 57 . 1 1 11 11 LEU HD12 H 1 0.831 0.030 . 1 . . . . 11 LEU HD1 . 11136 1 58 . 1 1 11 11 LEU HD13 H 1 0.831 0.030 . 1 . . . . 11 LEU HD1 . 11136 1 59 . 1 1 11 11 LEU HD21 H 1 0.779 0.030 . 1 . . . . 11 LEU HD2 . 11136 1 60 . 1 1 11 11 LEU HD22 H 1 0.779 0.030 . 1 . . . . 11 LEU HD2 . 11136 1 61 . 1 1 11 11 LEU HD23 H 1 0.779 0.030 . 1 . . . . 11 LEU HD2 . 11136 1 62 . 1 1 11 11 LEU HG H 1 1.577 0.030 . 1 . . . . 11 LEU HG . 11136 1 63 . 1 1 11 11 LEU C C 13 175.863 0.300 . 1 . . . . 11 LEU C . 11136 1 64 . 1 1 11 11 LEU CA C 13 53.454 0.300 . 1 . . . . 11 LEU CA . 11136 1 65 . 1 1 11 11 LEU CB C 13 39.743 0.300 . 1 . . . . 11 LEU CB . 11136 1 66 . 1 1 11 11 LEU CD1 C 13 22.610 0.300 . 2 . . . . 11 LEU CD1 . 11136 1 67 . 1 1 11 11 LEU CD2 C 13 20.886 0.300 . 2 . . . . 11 LEU CD2 . 11136 1 68 . 1 1 11 11 LEU CG C 13 24.801 0.300 . 1 . . . . 11 LEU CG . 11136 1 69 . 1 1 11 11 LEU N N 15 120.137 0.300 . 1 . . . . 11 LEU N . 11136 1 70 . 1 1 12 12 GLU H H 1 8.227 0.030 . 1 . . . . 12 GLU H . 11136 1 71 . 1 1 12 12 GLU HA H 1 4.096 0.030 . 1 . . . . 12 GLU HA . 11136 1 72 . 1 1 12 12 GLU HB2 H 1 1.950 0.030 . 2 . . . . 12 GLU HB2 . 11136 1 73 . 1 1 12 12 GLU HB3 H 1 1.872 0.030 . 2 . . . . 12 GLU HB3 . 11136 1 74 . 1 1 12 12 GLU HG2 H 1 2.272 0.030 . 2 . . . . 12 GLU HG2 . 11136 1 75 . 1 1 12 12 GLU HG3 H 1 2.158 0.030 . 2 . . . . 12 GLU HG3 . 11136 1 76 . 1 1 12 12 GLU C C 13 174.359 0.300 . 1 . . . . 12 GLU C . 11136 1 77 . 1 1 12 12 GLU CA C 13 54.852 0.300 . 1 . . . . 12 GLU CA . 11136 1 78 . 1 1 12 12 GLU CB C 13 27.579 0.300 . 1 . . . . 12 GLU CB . 11136 1 79 . 1 1 12 12 GLU CG C 13 33.972 0.300 . 1 . . . . 12 GLU CG . 11136 1 80 . 1 1 12 12 GLU N N 15 120.466 0.300 . 1 . . . . 12 GLU N . 11136 1 81 . 1 1 13 13 ALA H H 1 7.982 0.030 . 1 . . . . 13 ALA H . 11136 1 82 . 1 1 13 13 ALA HA H 1 4.203 0.030 . 1 . . . . 13 ALA HA . 11136 1 83 . 1 1 13 13 ALA HB1 H 1 1.325 0.030 . 1 . . . . 13 ALA HB . 11136 1 84 . 1 1 13 13 ALA HB2 H 1 1.325 0.030 . 1 . . . . 13 ALA HB . 11136 1 85 . 1 1 13 13 ALA HB3 H 1 1.325 0.030 . 1 . . . . 13 ALA HB . 11136 1 86 . 1 1 13 13 ALA C C 13 175.457 0.300 . 1 . . . . 13 ALA C . 11136 1 87 . 1 1 13 13 ALA CA C 13 50.519 0.300 . 1 . . . . 13 ALA CA . 11136 1 88 . 1 1 13 13 ALA CB C 13 16.759 0.300 . 1 . . . . 13 ALA CB . 11136 1 89 . 1 1 13 13 ALA N N 15 122.994 0.300 . 1 . . . . 13 ALA N . 11136 1 90 . 1 1 14 14 LEU H H 1 7.974 0.030 . 1 . . . . 14 LEU H . 11136 1 91 . 1 1 14 14 LEU HA H 1 4.345 0.030 . 1 . . . . 14 LEU HA . 11136 1 92 . 1 1 14 14 LEU HB2 H 1 1.638 0.030 . 2 . . . . 14 LEU HB2 . 11136 1 93 . 1 1 14 14 LEU HB3 H 1 1.521 0.030 . 2 . . . . 14 LEU HB3 . 11136 1 94 . 1 1 14 14 LEU HD11 H 1 0.860 0.030 . 1 . . . . 14 LEU HD1 . 11136 1 95 . 1 1 14 14 LEU HD12 H 1 0.860 0.030 . 1 . . . . 14 LEU HD1 . 11136 1 96 . 1 1 14 14 LEU HD13 H 1 0.860 0.030 . 1 . . . . 14 LEU HD1 . 11136 1 97 . 1 1 14 14 LEU HD21 H 1 0.783 0.030 . 1 . . . . 14 LEU HD2 . 11136 1 98 . 1 1 14 14 LEU HD22 H 1 0.783 0.030 . 1 . . . . 14 LEU HD2 . 11136 1 99 . 1 1 14 14 LEU HD23 H 1 0.783 0.030 . 1 . . . . 14 LEU HD2 . 11136 1 100 . 1 1 14 14 LEU HG H 1 1.578 0.030 . 1 . . . . 14 LEU HG . 11136 1 101 . 1 1 14 14 LEU C C 13 174.146 0.300 . 1 . . . . 14 LEU C . 11136 1 102 . 1 1 14 14 LEU CA C 13 52.356 0.300 . 1 . . . . 14 LEU CA . 11136 1 103 . 1 1 14 14 LEU CB C 13 39.769 0.300 . 1 . . . . 14 LEU CB . 11136 1 104 . 1 1 14 14 LEU CD1 C 13 23.044 0.300 . 2 . . . . 14 LEU CD1 . 11136 1 105 . 1 1 14 14 LEU CD2 C 13 20.835 0.300 . 2 . . . . 14 LEU CD2 . 11136 1 106 . 1 1 14 14 LEU CG C 13 24.603 0.300 . 1 . . . . 14 LEU CG . 11136 1 107 . 1 1 14 14 LEU N N 15 119.916 0.300 . 1 . . . . 14 LEU N . 11136 1 108 . 1 1 15 15 VAL H H 1 7.617 0.030 . 1 . . . . 15 VAL H . 11136 1 109 . 1 1 15 15 VAL HA H 1 4.378 0.030 . 1 . . . . 15 VAL HA . 11136 1 110 . 1 1 15 15 VAL HB H 1 2.005 0.030 . 1 . . . . 15 VAL HB . 11136 1 111 . 1 1 15 15 VAL HG11 H 1 0.835 0.030 . 1 . . . . 15 VAL HG1 . 11136 1 112 . 1 1 15 15 VAL HG12 H 1 0.835 0.030 . 1 . . . . 15 VAL HG1 . 11136 1 113 . 1 1 15 15 VAL HG13 H 1 0.835 0.030 . 1 . . . . 15 VAL HG1 . 11136 1 114 . 1 1 15 15 VAL HG21 H 1 0.884 0.030 . 1 . . . . 15 VAL HG2 . 11136 1 115 . 1 1 15 15 VAL HG22 H 1 0.884 0.030 . 1 . . . . 15 VAL HG2 . 11136 1 116 . 1 1 15 15 VAL HG23 H 1 0.884 0.030 . 1 . . . . 15 VAL HG2 . 11136 1 117 . 1 1 15 15 VAL C C 13 171.743 0.300 . 1 . . . . 15 VAL C . 11136 1 118 . 1 1 15 15 VAL CA C 13 57.115 0.300 . 1 . . . . 15 VAL CA . 11136 1 119 . 1 1 15 15 VAL CB C 13 30.763 0.300 . 1 . . . . 15 VAL CB . 11136 1 120 . 1 1 15 15 VAL CG1 C 13 18.079 0.300 . 2 . . . . 15 VAL CG1 . 11136 1 121 . 1 1 15 15 VAL CG2 C 13 18.574 0.300 . 2 . . . . 15 VAL CG2 . 11136 1 122 . 1 1 15 15 VAL N N 15 121.009 0.300 . 1 . . . . 15 VAL N . 11136 1 123 . 1 1 16 16 PRO HA H 1 4.174 0.030 . 1 . . . . 16 PRO HA . 11136 1 124 . 1 1 16 16 PRO HB2 H 1 1.924 0.030 . 2 . . . . 16 PRO HB2 . 11136 1 125 . 1 1 16 16 PRO HB3 H 1 1.642 0.030 . 2 . . . . 16 PRO HB3 . 11136 1 126 . 1 1 16 16 PRO HD2 H 1 3.601 0.030 . 2 . . . . 16 PRO HD2 . 11136 1 127 . 1 1 16 16 PRO HD3 H 1 3.783 0.030 . 2 . . . . 16 PRO HD3 . 11136 1 128 . 1 1 16 16 PRO HG2 H 1 1.791 0.030 . 2 . . . . 16 PRO HG2 . 11136 1 129 . 1 1 16 16 PRO HG3 H 1 1.914 0.030 . 2 . . . . 16 PRO HG3 . 11136 1 130 . 1 1 16 16 PRO C C 13 173.157 0.300 . 1 . . . . 16 PRO C . 11136 1 131 . 1 1 16 16 PRO CA C 13 60.764 0.300 . 1 . . . . 16 PRO CA . 11136 1 132 . 1 1 16 16 PRO CB C 13 30.133 0.300 . 1 . . . . 16 PRO CB . 11136 1 133 . 1 1 16 16 PRO CD C 13 48.681 0.300 . 1 . . . . 16 PRO CD . 11136 1 134 . 1 1 16 16 PRO CG C 13 24.996 0.300 . 1 . . . . 16 PRO CG . 11136 1 135 . 1 1 17 17 VAL H H 1 8.571 0.030 . 1 . . . . 17 VAL H . 11136 1 136 . 1 1 17 17 VAL HA H 1 4.371 0.030 . 1 . . . . 17 VAL HA . 11136 1 137 . 1 1 17 17 VAL HB H 1 2.051 0.030 . 1 . . . . 17 VAL HB . 11136 1 138 . 1 1 17 17 VAL HG11 H 1 0.867 0.030 . 1 . . . . 17 VAL HG1 . 11136 1 139 . 1 1 17 17 VAL HG12 H 1 0.867 0.030 . 1 . . . . 17 VAL HG1 . 11136 1 140 . 1 1 17 17 VAL HG13 H 1 0.867 0.030 . 1 . . . . 17 VAL HG1 . 11136 1 141 . 1 1 17 17 VAL HG21 H 1 0.876 0.030 . 1 . . . . 17 VAL HG2 . 11136 1 142 . 1 1 17 17 VAL HG22 H 1 0.876 0.030 . 1 . . . . 17 VAL HG2 . 11136 1 143 . 1 1 17 17 VAL HG23 H 1 0.876 0.030 . 1 . . . . 17 VAL HG2 . 11136 1 144 . 1 1 17 17 VAL C C 13 171.640 0.300 . 1 . . . . 17 VAL C . 11136 1 145 . 1 1 17 17 VAL CA C 13 58.110 0.300 . 1 . . . . 17 VAL CA . 11136 1 146 . 1 1 17 17 VAL CB C 13 32.879 0.300 . 1 . . . . 17 VAL CB . 11136 1 147 . 1 1 17 17 VAL CG1 C 13 19.368 0.300 . 2 . . . . 17 VAL CG1 . 11136 1 148 . 1 1 17 17 VAL CG2 C 13 17.692 0.300 . 2 . . . . 17 VAL CG2 . 11136 1 149 . 1 1 17 17 VAL N N 15 119.724 0.300 . 1 . . . . 17 VAL N . 11136 1 150 . 1 1 18 18 THR H H 1 8.158 0.030 . 1 . . . . 18 THR H . 11136 1 151 . 1 1 18 18 THR HA H 1 5.509 0.030 . 1 . . . . 18 THR HA . 11136 1 152 . 1 1 18 18 THR HB H 1 3.629 0.030 . 1 . . . . 18 THR HB . 11136 1 153 . 1 1 18 18 THR HG21 H 1 0.964 0.030 . 1 . . . . 18 THR HG2 . 11136 1 154 . 1 1 18 18 THR HG22 H 1 0.964 0.030 . 1 . . . . 18 THR HG2 . 11136 1 155 . 1 1 18 18 THR HG23 H 1 0.964 0.030 . 1 . . . . 18 THR HG2 . 11136 1 156 . 1 1 18 18 THR C C 13 172.848 0.300 . 1 . . . . 18 THR C . 11136 1 157 . 1 1 18 18 THR CA C 13 59.269 0.300 . 1 . . . . 18 THR CA . 11136 1 158 . 1 1 18 18 THR CB C 13 69.046 0.300 . 1 . . . . 18 THR CB . 11136 1 159 . 1 1 18 18 THR CG2 C 13 19.527 0.300 . 1 . . . . 18 THR CG2 . 11136 1 160 . 1 1 18 18 THR N N 15 117.694 0.300 . 1 . . . . 18 THR N . 11136 1 161 . 1 1 19 19 ILE H H 1 9.121 0.030 . 1 . . . . 19 ILE H . 11136 1 162 . 1 1 19 19 ILE HA H 1 4.641 0.030 . 1 . . . . 19 ILE HA . 11136 1 163 . 1 1 19 19 ILE HB H 1 1.779 0.030 . 1 . . . . 19 ILE HB . 11136 1 164 . 1 1 19 19 ILE HD11 H 1 0.691 0.030 . 1 . . . . 19 ILE HD1 . 11136 1 165 . 1 1 19 19 ILE HD12 H 1 0.691 0.030 . 1 . . . . 19 ILE HD1 . 11136 1 166 . 1 1 19 19 ILE HD13 H 1 0.691 0.030 . 1 . . . . 19 ILE HD1 . 11136 1 167 . 1 1 19 19 ILE HG12 H 1 1.279 0.030 . 2 . . . . 19 ILE HG12 . 11136 1 168 . 1 1 19 19 ILE HG13 H 1 1.032 0.030 . 2 . . . . 19 ILE HG13 . 11136 1 169 . 1 1 19 19 ILE HG21 H 1 0.806 0.030 . 1 . . . . 19 ILE HG2 . 11136 1 170 . 1 1 19 19 ILE HG22 H 1 0.806 0.030 . 1 . . . . 19 ILE HG2 . 11136 1 171 . 1 1 19 19 ILE HG23 H 1 0.806 0.030 . 1 . . . . 19 ILE HG2 . 11136 1 172 . 1 1 19 19 ILE C C 13 171.454 0.300 . 1 . . . . 19 ILE C . 11136 1 173 . 1 1 19 19 ILE CA C 13 56.927 0.300 . 1 . . . . 19 ILE CA . 11136 1 174 . 1 1 19 19 ILE CB C 13 39.538 0.300 . 1 . . . . 19 ILE CB . 11136 1 175 . 1 1 19 19 ILE CD1 C 13 12.286 0.300 . 1 . . . . 19 ILE CD1 . 11136 1 176 . 1 1 19 19 ILE CG1 C 13 23.729 0.300 . 1 . . . . 19 ILE CG1 . 11136 1 177 . 1 1 19 19 ILE CG2 C 13 15.524 0.300 . 1 . . . . 19 ILE CG2 . 11136 1 178 . 1 1 19 19 ILE N N 15 121.463 0.300 . 1 . . . . 19 ILE N . 11136 1 179 . 1 1 20 20 GLU H H 1 8.294 0.030 . 1 . . . . 20 GLU H . 11136 1 180 . 1 1 20 20 GLU HA H 1 4.732 0.030 . 1 . . . . 20 GLU HA . 11136 1 181 . 1 1 20 20 GLU HB2 H 1 1.802 0.030 . 2 . . . . 20 GLU HB2 . 11136 1 182 . 1 1 20 20 GLU HB3 H 1 1.648 0.030 . 2 . . . . 20 GLU HB3 . 11136 1 183 . 1 1 20 20 GLU HG2 H 1 1.810 0.030 . 2 . . . . 20 GLU HG2 . 11136 1 184 . 1 1 20 20 GLU HG3 H 1 2.125 0.030 . 2 . . . . 20 GLU HG3 . 11136 1 185 . 1 1 20 20 GLU C C 13 173.659 0.300 . 1 . . . . 20 GLU C . 11136 1 186 . 1 1 20 20 GLU CA C 13 52.906 0.300 . 1 . . . . 20 GLU CA . 11136 1 187 . 1 1 20 20 GLU CB C 13 29.682 0.300 . 1 . . . . 20 GLU CB . 11136 1 188 . 1 1 20 20 GLU CG C 13 34.516 0.300 . 1 . . . . 20 GLU CG . 11136 1 189 . 1 1 20 20 GLU N N 15 120.050 0.300 . 1 . . . . 20 GLU N . 11136 1 190 . 1 1 21 21 VAL H H 1 9.124 0.030 . 1 . . . . 21 VAL H . 11136 1 191 . 1 1 21 21 VAL HA H 1 4.171 0.030 . 1 . . . . 21 VAL HA . 11136 1 192 . 1 1 21 21 VAL HB H 1 1.767 0.030 . 1 . . . . 21 VAL HB . 11136 1 193 . 1 1 21 21 VAL HG11 H 1 0.766 0.030 . 1 . . . . 21 VAL HG1 . 11136 1 194 . 1 1 21 21 VAL HG12 H 1 0.766 0.030 . 1 . . . . 21 VAL HG1 . 11136 1 195 . 1 1 21 21 VAL HG13 H 1 0.766 0.030 . 1 . . . . 21 VAL HG1 . 11136 1 196 . 1 1 21 21 VAL HG21 H 1 0.689 0.030 . 1 . . . . 21 VAL HG2 . 11136 1 197 . 1 1 21 21 VAL HG22 H 1 0.689 0.030 . 1 . . . . 21 VAL HG2 . 11136 1 198 . 1 1 21 21 VAL HG23 H 1 0.689 0.030 . 1 . . . . 21 VAL HG2 . 11136 1 199 . 1 1 21 21 VAL C C 13 171.616 0.300 . 1 . . . . 21 VAL C . 11136 1 200 . 1 1 21 21 VAL CA C 13 58.389 0.300 . 1 . . . . 21 VAL CA . 11136 1 201 . 1 1 21 21 VAL CB C 13 32.200 0.300 . 1 . . . . 21 VAL CB . 11136 1 202 . 1 1 21 21 VAL CG1 C 13 19.325 0.300 . 2 . . . . 21 VAL CG1 . 11136 1 203 . 1 1 21 21 VAL CG2 C 13 18.920 0.300 . 2 . . . . 21 VAL CG2 . 11136 1 204 . 1 1 21 21 VAL N N 15 123.150 0.300 . 1 . . . . 21 VAL N . 11136 1 205 . 1 1 22 22 GLU H H 1 8.484 0.030 . 1 . . . . 22 GLU H . 11136 1 206 . 1 1 22 22 GLU HA H 1 4.656 0.030 . 1 . . . . 22 GLU HA . 11136 1 207 . 1 1 22 22 GLU HB2 H 1 1.852 0.030 . 1 . . . . 22 GLU HB2 . 11136 1 208 . 1 1 22 22 GLU HB3 H 1 1.852 0.030 . 1 . . . . 22 GLU HB3 . 11136 1 209 . 1 1 22 22 GLU HG2 H 1 2.183 0.030 . 2 . . . . 22 GLU HG2 . 11136 1 210 . 1 1 22 22 GLU HG3 H 1 1.963 0.030 . 2 . . . . 22 GLU HG3 . 11136 1 211 . 1 1 22 22 GLU C C 13 173.386 0.300 . 1 . . . . 22 GLU C . 11136 1 212 . 1 1 22 22 GLU CA C 13 54.127 0.300 . 1 . . . . 22 GLU CA . 11136 1 213 . 1 1 22 22 GLU CB C 13 27.454 0.300 . 1 . . . . 22 GLU CB . 11136 1 214 . 1 1 22 22 GLU CG C 13 34.255 0.300 . 1 . . . . 22 GLU CG . 11136 1 215 . 1 1 22 22 GLU N N 15 126.443 0.300 . 1 . . . . 22 GLU N . 11136 1 216 . 1 1 23 23 VAL H H 1 8.840 0.030 . 1 . . . . 23 VAL H . 11136 1 217 . 1 1 23 23 VAL HA H 1 4.377 0.030 . 1 . . . . 23 VAL HA . 11136 1 218 . 1 1 23 23 VAL HB H 1 1.739 0.030 . 1 . . . . 23 VAL HB . 11136 1 219 . 1 1 23 23 VAL HG11 H 1 0.851 0.030 . 1 . . . . 23 VAL HG1 . 11136 1 220 . 1 1 23 23 VAL HG12 H 1 0.851 0.030 . 1 . . . . 23 VAL HG1 . 11136 1 221 . 1 1 23 23 VAL HG13 H 1 0.851 0.030 . 1 . . . . 23 VAL HG1 . 11136 1 222 . 1 1 23 23 VAL HG21 H 1 0.728 0.030 . 1 . . . . 23 VAL HG2 . 11136 1 223 . 1 1 23 23 VAL HG22 H 1 0.728 0.030 . 1 . . . . 23 VAL HG2 . 11136 1 224 . 1 1 23 23 VAL HG23 H 1 0.728 0.030 . 1 . . . . 23 VAL HG2 . 11136 1 225 . 1 1 23 23 VAL C C 13 170.140 0.300 . 1 . . . . 23 VAL C . 11136 1 226 . 1 1 23 23 VAL CA C 13 56.982 0.300 . 1 . . . . 23 VAL CA . 11136 1 227 . 1 1 23 23 VAL CB C 13 34.353 0.300 . 1 . . . . 23 VAL CB . 11136 1 228 . 1 1 23 23 VAL CG1 C 13 19.006 0.300 . 2 . . . . 23 VAL CG1 . 11136 1 229 . 1 1 23 23 VAL CG2 C 13 19.470 0.300 . 2 . . . . 23 VAL CG2 . 11136 1 230 . 1 1 23 23 VAL N N 15 127.046 0.300 . 1 . . . . 23 VAL N . 11136 1 231 . 1 1 24 24 PRO HA H 1 4.126 0.030 . 1 . . . . 24 PRO HA . 11136 1 232 . 1 1 24 24 PRO HB2 H 1 2.242 0.030 . 2 . . . . 24 PRO HB2 . 11136 1 233 . 1 1 24 24 PRO HB3 H 1 1.775 0.030 . 2 . . . . 24 PRO HB3 . 11136 1 234 . 1 1 24 24 PRO HD2 H 1 3.359 0.030 . 2 . . . . 24 PRO HD2 . 11136 1 235 . 1 1 24 24 PRO HD3 H 1 3.785 0.030 . 2 . . . . 24 PRO HD3 . 11136 1 236 . 1 1 24 24 PRO HG2 H 1 1.940 0.030 . 1 . . . . 24 PRO HG2 . 11136 1 237 . 1 1 24 24 PRO HG3 H 1 1.940 0.030 . 1 . . . . 24 PRO HG3 . 11136 1 238 . 1 1 24 24 PRO C C 13 175.123 0.300 . 1 . . . . 24 PRO C . 11136 1 239 . 1 1 24 24 PRO CA C 13 61.555 0.300 . 1 . . . . 24 PRO CA . 11136 1 240 . 1 1 24 24 PRO CB C 13 30.051 0.300 . 1 . . . . 24 PRO CB . 11136 1 241 . 1 1 24 24 PRO CD C 13 48.583 0.300 . 1 . . . . 24 PRO CD . 11136 1 242 . 1 1 24 24 PRO CG C 13 25.352 0.300 . 1 . . . . 24 PRO CG . 11136 1 243 . 1 1 25 25 PHE H H 1 8.787 0.030 . 1 . . . . 25 PHE H . 11136 1 244 . 1 1 25 25 PHE HA H 1 2.540 0.030 . 1 . . . . 25 PHE HA . 11136 1 245 . 1 1 25 25 PHE HB2 H 1 2.906 0.030 . 2 . . . . 25 PHE HB2 . 11136 1 246 . 1 1 25 25 PHE HB3 H 1 2.398 0.030 . 2 . . . . 25 PHE HB3 . 11136 1 247 . 1 1 25 25 PHE HD1 H 1 6.998 0.030 . 1 . . . . 25 PHE HD1 . 11136 1 248 . 1 1 25 25 PHE HD2 H 1 6.998 0.030 . 1 . . . . 25 PHE HD2 . 11136 1 249 . 1 1 25 25 PHE HE1 H 1 7.287 0.030 . 1 . . . . 25 PHE HE1 . 11136 1 250 . 1 1 25 25 PHE HE2 H 1 7.287 0.030 . 1 . . . . 25 PHE HE2 . 11136 1 251 . 1 1 25 25 PHE HZ H 1 7.133 0.030 . 1 . . . . 25 PHE HZ . 11136 1 252 . 1 1 25 25 PHE C C 13 175.288 0.300 . 1 . . . . 25 PHE C . 11136 1 253 . 1 1 25 25 PHE CA C 13 57.987 0.300 . 1 . . . . 25 PHE CA . 11136 1 254 . 1 1 25 25 PHE CB C 13 36.858 0.300 . 1 . . . . 25 PHE CB . 11136 1 255 . 1 1 25 25 PHE CD1 C 13 129.770 0.300 . 1 . . . . 25 PHE CD1 . 11136 1 256 . 1 1 25 25 PHE CD2 C 13 129.770 0.300 . 1 . . . . 25 PHE CD2 . 11136 1 257 . 1 1 25 25 PHE CE1 C 13 128.985 0.300 . 1 . . . . 25 PHE CE1 . 11136 1 258 . 1 1 25 25 PHE CE2 C 13 128.985 0.300 . 1 . . . . 25 PHE CE2 . 11136 1 259 . 1 1 25 25 PHE CZ C 13 127.426 0.300 . 1 . . . . 25 PHE CZ . 11136 1 260 . 1 1 25 25 PHE N N 15 124.730 0.300 . 1 . . . . 25 PHE N . 11136 1 261 . 1 1 26 26 ASP H H 1 8.535 0.030 . 1 . . . . 26 ASP H . 11136 1 262 . 1 1 26 26 ASP HA H 1 3.882 0.030 . 1 . . . . 26 ASP HA . 11136 1 263 . 1 1 26 26 ASP HB2 H 1 2.400 0.030 . 1 . . . . 26 ASP HB2 . 11136 1 264 . 1 1 26 26 ASP HB3 H 1 2.400 0.030 . 1 . . . . 26 ASP HB3 . 11136 1 265 . 1 1 26 26 ASP C C 13 174.369 0.300 . 1 . . . . 26 ASP C . 11136 1 266 . 1 1 26 26 ASP CA C 13 54.070 0.300 . 1 . . . . 26 ASP CA . 11136 1 267 . 1 1 26 26 ASP CB C 13 37.964 0.300 . 1 . . . . 26 ASP CB . 11136 1 268 . 1 1 26 26 ASP N N 15 117.917 0.300 . 1 . . . . 26 ASP N . 11136 1 269 . 1 1 27 27 LEU H H 1 8.129 0.030 . 1 . . . . 27 LEU H . 11136 1 270 . 1 1 27 27 LEU HA H 1 4.551 0.030 . 1 . . . . 27 LEU HA . 11136 1 271 . 1 1 27 27 LEU HB2 H 1 1.793 0.030 . 2 . . . . 27 LEU HB2 . 11136 1 272 . 1 1 27 27 LEU HB3 H 1 1.505 0.030 . 2 . . . . 27 LEU HB3 . 11136 1 273 . 1 1 27 27 LEU HD11 H 1 0.816 0.030 . 1 . . . . 27 LEU HD1 . 11136 1 274 . 1 1 27 27 LEU HD12 H 1 0.816 0.030 . 1 . . . . 27 LEU HD1 . 11136 1 275 . 1 1 27 27 LEU HD13 H 1 0.816 0.030 . 1 . . . . 27 LEU HD1 . 11136 1 276 . 1 1 27 27 LEU HD21 H 1 0.726 0.030 . 1 . . . . 27 LEU HD2 . 11136 1 277 . 1 1 27 27 LEU HD22 H 1 0.726 0.030 . 1 . . . . 27 LEU HD2 . 11136 1 278 . 1 1 27 27 LEU HD23 H 1 0.726 0.030 . 1 . . . . 27 LEU HD2 . 11136 1 279 . 1 1 27 27 LEU HG H 1 1.675 0.030 . 1 . . . . 27 LEU HG . 11136 1 280 . 1 1 27 27 LEU C C 13 177.183 0.300 . 1 . . . . 27 LEU C . 11136 1 281 . 1 1 27 27 LEU CA C 13 52.033 0.300 . 1 . . . . 27 LEU CA . 11136 1 282 . 1 1 27 27 LEU CB C 13 40.262 0.300 . 1 . . . . 27 LEU CB . 11136 1 283 . 1 1 27 27 LEU CD1 C 13 23.972 0.300 . 2 . . . . 27 LEU CD1 . 11136 1 284 . 1 1 27 27 LEU CD2 C 13 20.571 0.300 . 2 . . . . 27 LEU CD2 . 11136 1 285 . 1 1 27 27 LEU CG C 13 24.553 0.300 . 1 . . . . 27 LEU CG . 11136 1 286 . 1 1 27 27 LEU N N 15 114.206 0.300 . 1 . . . . 27 LEU N . 11136 1 287 . 1 1 28 28 HIS H H 1 8.151 0.030 . 1 . . . . 28 HIS H . 11136 1 288 . 1 1 28 28 HIS HA H 1 3.886 0.030 . 1 . . . . 28 HIS HA . 11136 1 289 . 1 1 28 28 HIS HB2 H 1 3.007 0.030 . 2 . . . . 28 HIS HB2 . 11136 1 290 . 1 1 28 28 HIS HB3 H 1 2.803 0.030 . 2 . . . . 28 HIS HB3 . 11136 1 291 . 1 1 28 28 HIS HD2 H 1 6.346 0.030 . 1 . . . . 28 HIS HD2 . 11136 1 292 . 1 1 28 28 HIS HE1 H 1 7.834 0.030 . 1 . . . . 28 HIS HE1 . 11136 1 293 . 1 1 28 28 HIS C C 13 175.786 0.300 . 1 . . . . 28 HIS C . 11136 1 294 . 1 1 28 28 HIS CA C 13 58.035 0.300 . 1 . . . . 28 HIS CA . 11136 1 295 . 1 1 28 28 HIS CB C 13 28.444 0.300 . 1 . . . . 28 HIS CB . 11136 1 296 . 1 1 28 28 HIS CD2 C 13 112.728 0.300 . 1 . . . . 28 HIS CD2 . 11136 1 297 . 1 1 28 28 HIS CE1 C 13 137.733 0.300 . 1 . . . . 28 HIS CE1 . 11136 1 298 . 1 1 28 28 HIS N N 15 121.867 0.300 . 1 . . . . 28 HIS N . 11136 1 299 . 1 1 29 29 ARG H H 1 8.365 0.030 . 1 . . . . 29 ARG H . 11136 1 300 . 1 1 29 29 ARG HA H 1 3.918 0.030 . 1 . . . . 29 ARG HA . 11136 1 301 . 1 1 29 29 ARG HB2 H 1 1.361 0.030 . 2 . . . . 29 ARG HB2 . 11136 1 302 . 1 1 29 29 ARG HB3 H 1 1.492 0.030 . 2 . . . . 29 ARG HB3 . 11136 1 303 . 1 1 29 29 ARG HD2 H 1 2.793 0.030 . 1 . . . . 29 ARG HD2 . 11136 1 304 . 1 1 29 29 ARG HD3 H 1 2.793 0.030 . 1 . . . . 29 ARG HD3 . 11136 1 305 . 1 1 29 29 ARG HG2 H 1 1.036 0.030 . 2 . . . . 29 ARG HG2 . 11136 1 306 . 1 1 29 29 ARG HG3 H 1 0.548 0.030 . 2 . . . . 29 ARG HG3 . 11136 1 307 . 1 1 29 29 ARG C C 13 175.459 0.300 . 1 . . . . 29 ARG C . 11136 1 308 . 1 1 29 29 ARG CA C 13 56.090 0.300 . 1 . . . . 29 ARG CA . 11136 1 309 . 1 1 29 29 ARG CB C 13 26.328 0.300 . 1 . . . . 29 ARG CB . 11136 1 310 . 1 1 29 29 ARG CD C 13 40.994 0.300 . 1 . . . . 29 ARG CD . 11136 1 311 . 1 1 29 29 ARG CG C 13 23.163 0.300 . 1 . . . . 29 ARG CG . 11136 1 312 . 1 1 29 29 ARG N N 15 114.800 0.300 . 1 . . . . 29 ARG N . 11136 1 313 . 1 1 30 30 TYR H H 1 7.135 0.030 . 1 . . . . 30 TYR H . 11136 1 314 . 1 1 30 30 TYR HA H 1 4.355 0.030 . 1 . . . . 30 TYR HA . 11136 1 315 . 1 1 30 30 TYR HB2 H 1 3.146 0.030 . 2 . . . . 30 TYR HB2 . 11136 1 316 . 1 1 30 30 TYR HB3 H 1 2.803 0.030 . 2 . . . . 30 TYR HB3 . 11136 1 317 . 1 1 30 30 TYR HD1 H 1 7.046 0.030 . 1 . . . . 30 TYR HD1 . 11136 1 318 . 1 1 30 30 TYR HD2 H 1 7.046 0.030 . 1 . . . . 30 TYR HD2 . 11136 1 319 . 1 1 30 30 TYR HE1 H 1 6.746 0.030 . 1 . . . . 30 TYR HE1 . 11136 1 320 . 1 1 30 30 TYR HE2 H 1 6.746 0.030 . 1 . . . . 30 TYR HE2 . 11136 1 321 . 1 1 30 30 TYR C C 13 174.822 0.300 . 1 . . . . 30 TYR C . 11136 1 322 . 1 1 30 30 TYR CA C 13 56.745 0.300 . 1 . . . . 30 TYR CA . 11136 1 323 . 1 1 30 30 TYR CB C 13 36.706 0.300 . 1 . . . . 30 TYR CB . 11136 1 324 . 1 1 30 30 TYR CD1 C 13 130.230 0.300 . 1 . . . . 30 TYR CD1 . 11136 1 325 . 1 1 30 30 TYR CD2 C 13 130.230 0.300 . 1 . . . . 30 TYR CD2 . 11136 1 326 . 1 1 30 30 TYR CE1 C 13 116.124 0.300 . 1 . . . . 30 TYR CE1 . 11136 1 327 . 1 1 30 30 TYR CE2 C 13 116.124 0.300 . 1 . . . . 30 TYR CE2 . 11136 1 328 . 1 1 30 30 TYR N N 15 118.540 0.300 . 1 . . . . 30 TYR N . 11136 1 329 . 1 1 31 31 VAL H H 1 7.659 0.030 . 1 . . . . 31 VAL H . 11136 1 330 . 1 1 31 31 VAL HA H 1 3.473 0.030 . 1 . . . . 31 VAL HA . 11136 1 331 . 1 1 31 31 VAL HB H 1 2.045 0.030 . 1 . . . . 31 VAL HB . 11136 1 332 . 1 1 31 31 VAL HG11 H 1 0.607 0.030 . 1 . . . . 31 VAL HG1 . 11136 1 333 . 1 1 31 31 VAL HG12 H 1 0.607 0.030 . 1 . . . . 31 VAL HG1 . 11136 1 334 . 1 1 31 31 VAL HG13 H 1 0.607 0.030 . 1 . . . . 31 VAL HG1 . 11136 1 335 . 1 1 31 31 VAL HG21 H 1 0.736 0.030 . 1 . . . . 31 VAL HG2 . 11136 1 336 . 1 1 31 31 VAL HG22 H 1 0.736 0.030 . 1 . . . . 31 VAL HG2 . 11136 1 337 . 1 1 31 31 VAL HG23 H 1 0.736 0.030 . 1 . . . . 31 VAL HG2 . 11136 1 338 . 1 1 31 31 VAL C C 13 174.254 0.300 . 1 . . . . 31 VAL C . 11136 1 339 . 1 1 31 31 VAL CA C 13 63.005 0.300 . 1 . . . . 31 VAL CA . 11136 1 340 . 1 1 31 31 VAL CB C 13 29.462 0.300 . 1 . . . . 31 VAL CB . 11136 1 341 . 1 1 31 31 VAL CG1 C 13 18.888 0.300 . 2 . . . . 31 VAL CG1 . 11136 1 342 . 1 1 31 31 VAL CG2 C 13 20.043 0.300 . 2 . . . . 31 VAL CG2 . 11136 1 343 . 1 1 31 31 VAL N N 15 119.235 0.300 . 1 . . . . 31 VAL N . 11136 1 344 . 1 1 32 32 ILE H H 1 7.717 0.030 . 1 . . . . 32 ILE H . 11136 1 345 . 1 1 32 32 ILE HA H 1 3.669 0.030 . 1 . . . . 32 ILE HA . 11136 1 346 . 1 1 32 32 ILE HB H 1 1.733 0.030 . 1 . . . . 32 ILE HB . 11136 1 347 . 1 1 32 32 ILE HD11 H 1 0.748 0.030 . 1 . . . . 32 ILE HD1 . 11136 1 348 . 1 1 32 32 ILE HD12 H 1 0.748 0.030 . 1 . . . . 32 ILE HD1 . 11136 1 349 . 1 1 32 32 ILE HD13 H 1 0.748 0.030 . 1 . . . . 32 ILE HD1 . 11136 1 350 . 1 1 32 32 ILE HG12 H 1 0.991 0.030 . 2 . . . . 32 ILE HG12 . 11136 1 351 . 1 1 32 32 ILE HG13 H 1 1.513 0.030 . 2 . . . . 32 ILE HG13 . 11136 1 352 . 1 1 32 32 ILE HG21 H 1 0.954 0.030 . 1 . . . . 32 ILE HG2 . 11136 1 353 . 1 1 32 32 ILE HG22 H 1 0.954 0.030 . 1 . . . . 32 ILE HG2 . 11136 1 354 . 1 1 32 32 ILE HG23 H 1 0.954 0.030 . 1 . . . . 32 ILE HG2 . 11136 1 355 . 1 1 32 32 ILE C C 13 175.387 0.300 . 1 . . . . 32 ILE C . 11136 1 356 . 1 1 32 32 ILE CA C 13 61.861 0.300 . 1 . . . . 32 ILE CA . 11136 1 357 . 1 1 32 32 ILE CB C 13 36.753 0.300 . 1 . . . . 32 ILE CB . 11136 1 358 . 1 1 32 32 ILE CD1 C 13 11.254 0.300 . 1 . . . . 32 ILE CD1 . 11136 1 359 . 1 1 32 32 ILE CG1 C 13 25.934 0.300 . 1 . . . . 32 ILE CG1 . 11136 1 360 . 1 1 32 32 ILE CG2 C 13 15.625 0.300 . 1 . . . . 32 ILE CG2 . 11136 1 361 . 1 1 32 32 ILE N N 15 115.189 0.300 . 1 . . . . 32 ILE N . 11136 1 362 . 1 1 33 33 GLY H H 1 7.247 0.030 . 1 . . . . 33 GLY H . 11136 1 363 . 1 1 33 33 GLY HA2 H 1 3.854 0.030 . 2 . . . . 33 GLY HA2 . 11136 1 364 . 1 1 33 33 GLY HA3 H 1 3.944 0.030 . 2 . . . . 33 GLY HA3 . 11136 1 365 . 1 1 33 33 GLY C C 13 171.961 0.300 . 1 . . . . 33 GLY C . 11136 1 366 . 1 1 33 33 GLY CA C 13 42.117 0.300 . 1 . . . . 33 GLY CA . 11136 1 367 . 1 1 33 33 GLY N N 15 104.362 0.300 . 1 . . . . 33 GLY N . 11136 1 368 . 1 1 34 34 GLN HA H 1 4.144 0.030 . 1 . . . . 34 GLN HA . 11136 1 369 . 1 1 34 34 GLN HB2 H 1 1.967 0.030 . 1 . . . . 34 GLN HB2 . 11136 1 370 . 1 1 34 34 GLN HB3 H 1 1.967 0.030 . 1 . . . . 34 GLN HB3 . 11136 1 371 . 1 1 34 34 GLN HE21 H 1 7.484 0.030 . 2 . . . . 34 GLN HE21 . 11136 1 372 . 1 1 34 34 GLN HE22 H 1 6.827 0.030 . 2 . . . . 34 GLN HE22 . 11136 1 373 . 1 1 34 34 GLN HG2 H 1 2.352 0.030 . 2 . . . . 34 GLN HG2 . 11136 1 374 . 1 1 34 34 GLN HG3 H 1 2.295 0.030 . 2 . . . . 34 GLN HG3 . 11136 1 375 . 1 1 34 34 GLN CA C 13 54.898 0.300 . 1 . . . . 34 GLN CA . 11136 1 376 . 1 1 34 34 GLN CB C 13 26.439 0.300 . 1 . . . . 34 GLN CB . 11136 1 377 . 1 1 34 34 GLN CG C 13 31.398 0.300 . 1 . . . . 34 GLN CG . 11136 1 378 . 1 1 34 34 GLN NE2 N 15 111.900 0.300 . 1 . . . . 34 GLN NE2 . 11136 1 379 . 1 1 35 35 LYS HA H 1 3.967 0.030 . 1 . . . . 35 LYS HA . 11136 1 380 . 1 1 35 35 LYS HB2 H 1 1.924 0.030 . 2 . . . . 35 LYS HB2 . 11136 1 381 . 1 1 35 35 LYS HB3 H 1 1.803 0.030 . 2 . . . . 35 LYS HB3 . 11136 1 382 . 1 1 35 35 LYS HD2 H 1 1.585 0.030 . 1 . . . . 35 LYS HD2 . 11136 1 383 . 1 1 35 35 LYS HD3 H 1 1.585 0.030 . 1 . . . . 35 LYS HD3 . 11136 1 384 . 1 1 35 35 LYS HE2 H 1 2.900 0.030 . 1 . . . . 35 LYS HE2 . 11136 1 385 . 1 1 35 35 LYS HE3 H 1 2.900 0.030 . 1 . . . . 35 LYS HE3 . 11136 1 386 . 1 1 35 35 LYS HG2 H 1 1.336 0.030 . 2 . . . . 35 LYS HG2 . 11136 1 387 . 1 1 35 35 LYS HG3 H 1 1.386 0.030 . 2 . . . . 35 LYS HG3 . 11136 1 388 . 1 1 35 35 LYS C C 13 174.581 0.300 . 1 . . . . 35 LYS C . 11136 1 389 . 1 1 35 35 LYS CA C 13 55.170 0.300 . 1 . . . . 35 LYS CA . 11136 1 390 . 1 1 35 35 LYS CB C 13 28.649 0.300 . 1 . . . . 35 LYS CB . 11136 1 391 . 1 1 35 35 LYS CD C 13 26.836 0.300 . 1 . . . . 35 LYS CD . 11136 1 392 . 1 1 35 35 LYS CE C 13 39.942 0.300 . 1 . . . . 35 LYS CE . 11136 1 393 . 1 1 35 35 LYS CG C 13 23.118 0.300 . 1 . . . . 35 LYS CG . 11136 1 394 . 1 1 36 36 GLY H H 1 7.857 0.030 . 1 . . . . 36 GLY H . 11136 1 395 . 1 1 36 36 GLY HA2 H 1 4.012 0.030 . 2 . . . . 36 GLY HA2 . 11136 1 396 . 1 1 36 36 GLY HA3 H 1 3.751 0.030 . 2 . . . . 36 GLY HA3 . 11136 1 397 . 1 1 36 36 GLY C C 13 173.401 0.300 . 1 . . . . 36 GLY C . 11136 1 398 . 1 1 36 36 GLY CA C 13 43.674 0.300 . 1 . . . . 36 GLY CA . 11136 1 399 . 1 1 36 36 GLY N N 15 106.296 0.300 . 1 . . . . 36 GLY N . 11136 1 400 . 1 1 37 37 SER H H 1 7.975 0.030 . 1 . . . . 37 SER H . 11136 1 401 . 1 1 37 37 SER HA H 1 4.059 0.030 . 1 . . . . 37 SER HA . 11136 1 402 . 1 1 37 37 SER HB2 H 1 3.936 0.030 . 1 . . . . 37 SER HB2 . 11136 1 403 . 1 1 37 37 SER HB3 H 1 3.936 0.030 . 1 . . . . 37 SER HB3 . 11136 1 404 . 1 1 37 37 SER C C 13 173.917 0.300 . 1 . . . . 37 SER C . 11136 1 405 . 1 1 37 37 SER CA C 13 58.354 0.300 . 1 . . . . 37 SER CA . 11136 1 406 . 1 1 37 37 SER CB C 13 61.004 0.300 . 1 . . . . 37 SER CB . 11136 1 407 . 1 1 37 37 SER N N 15 115.116 0.300 . 1 . . . . 37 SER N . 11136 1 408 . 1 1 38 38 GLY H H 1 8.565 0.030 . 1 . . . . 38 GLY H . 11136 1 409 . 1 1 38 38 GLY HA2 H 1 3.840 0.030 . 1 . . . . 38 GLY HA2 . 11136 1 410 . 1 1 38 38 GLY HA3 H 1 3.840 0.030 . 1 . . . . 38 GLY HA3 . 11136 1 411 . 1 1 38 38 GLY C C 13 174.335 0.300 . 1 . . . . 38 GLY C . 11136 1 412 . 1 1 38 38 GLY CA C 13 44.541 0.300 . 1 . . . . 38 GLY CA . 11136 1 413 . 1 1 38 38 GLY N N 15 111.410 0.300 . 1 . . . . 38 GLY N . 11136 1 414 . 1 1 39 39 ILE H H 1 7.591 0.030 . 1 . . . . 39 ILE H . 11136 1 415 . 1 1 39 39 ILE HA H 1 3.939 0.030 . 1 . . . . 39 ILE HA . 11136 1 416 . 1 1 39 39 ILE HB H 1 1.889 0.030 . 1 . . . . 39 ILE HB . 11136 1 417 . 1 1 39 39 ILE HD11 H 1 0.714 0.030 . 1 . . . . 39 ILE HD1 . 11136 1 418 . 1 1 39 39 ILE HD12 H 1 0.714 0.030 . 1 . . . . 39 ILE HD1 . 11136 1 419 . 1 1 39 39 ILE HD13 H 1 0.714 0.030 . 1 . . . . 39 ILE HD1 . 11136 1 420 . 1 1 39 39 ILE HG12 H 1 1.159 0.030 . 2 . . . . 39 ILE HG12 . 11136 1 421 . 1 1 39 39 ILE HG13 H 1 1.492 0.030 . 2 . . . . 39 ILE HG13 . 11136 1 422 . 1 1 39 39 ILE HG21 H 1 0.867 0.030 . 1 . . . . 39 ILE HG2 . 11136 1 423 . 1 1 39 39 ILE HG22 H 1 0.867 0.030 . 1 . . . . 39 ILE HG2 . 11136 1 424 . 1 1 39 39 ILE HG23 H 1 0.867 0.030 . 1 . . . . 39 ILE HG2 . 11136 1 425 . 1 1 39 39 ILE C C 13 175.010 0.300 . 1 . . . . 39 ILE C . 11136 1 426 . 1 1 39 39 ILE CA C 13 60.972 0.300 . 1 . . . . 39 ILE CA . 11136 1 427 . 1 1 39 39 ILE CB C 13 35.604 0.300 . 1 . . . . 39 ILE CB . 11136 1 428 . 1 1 39 39 ILE CD1 C 13 10.734 0.300 . 1 . . . . 39 ILE CD1 . 11136 1 429 . 1 1 39 39 ILE CG1 C 13 25.903 0.300 . 1 . . . . 39 ILE CG1 . 11136 1 430 . 1 1 39 39 ILE CG2 C 13 15.749 0.300 . 1 . . . . 39 ILE CG2 . 11136 1 431 . 1 1 39 39 ILE N N 15 120.254 0.300 . 1 . . . . 39 ILE N . 11136 1 432 . 1 1 40 40 ARG H H 1 7.935 0.030 . 1 . . . . 40 ARG H . 11136 1 433 . 1 1 40 40 ARG HA H 1 3.946 0.030 . 1 . . . . 40 ARG HA . 11136 1 434 . 1 1 40 40 ARG HB2 H 1 1.830 0.030 . 1 . . . . 40 ARG HB2 . 11136 1 435 . 1 1 40 40 ARG HB3 H 1 1.830 0.030 . 1 . . . . 40 ARG HB3 . 11136 1 436 . 1 1 40 40 ARG HD2 H 1 3.213 0.030 . 2 . . . . 40 ARG HD2 . 11136 1 437 . 1 1 40 40 ARG HD3 H 1 3.146 0.030 . 2 . . . . 40 ARG HD3 . 11136 1 438 . 1 1 40 40 ARG HG2 H 1 1.591 0.030 . 1 . . . . 40 ARG HG2 . 11136 1 439 . 1 1 40 40 ARG HG3 H 1 1.591 0.030 . 1 . . . . 40 ARG HG3 . 11136 1 440 . 1 1 40 40 ARG C C 13 175.519 0.300 . 1 . . . . 40 ARG C . 11136 1 441 . 1 1 40 40 ARG CA C 13 57.151 0.300 . 1 . . . . 40 ARG CA . 11136 1 442 . 1 1 40 40 ARG CB C 13 27.660 0.300 . 1 . . . . 40 ARG CB . 11136 1 443 . 1 1 40 40 ARG CD C 13 40.851 0.300 . 1 . . . . 40 ARG CD . 11136 1 444 . 1 1 40 40 ARG CG C 13 24.693 0.300 . 1 . . . . 40 ARG CG . 11136 1 445 . 1 1 40 40 ARG N N 15 122.178 0.300 . 1 . . . . 40 ARG N . 11136 1 446 . 1 1 41 41 LYS H H 1 7.622 0.030 . 1 . . . . 41 LYS H . 11136 1 447 . 1 1 41 41 LYS HA H 1 4.042 0.030 . 1 . . . . 41 LYS HA . 11136 1 448 . 1 1 41 41 LYS HB2 H 1 1.822 0.030 . 1 . . . . 41 LYS HB2 . 11136 1 449 . 1 1 41 41 LYS HB3 H 1 1.822 0.030 . 1 . . . . 41 LYS HB3 . 11136 1 450 . 1 1 41 41 LYS HD2 H 1 1.574 0.030 . 1 . . . . 41 LYS HD2 . 11136 1 451 . 1 1 41 41 LYS HD3 H 1 1.574 0.030 . 1 . . . . 41 LYS HD3 . 11136 1 452 . 1 1 41 41 LYS HE2 H 1 2.867 0.030 . 1 . . . . 41 LYS HE2 . 11136 1 453 . 1 1 41 41 LYS HE3 H 1 2.867 0.030 . 1 . . . . 41 LYS HE3 . 11136 1 454 . 1 1 41 41 LYS HG2 H 1 1.308 0.030 . 2 . . . . 41 LYS HG2 . 11136 1 455 . 1 1 41 41 LYS HG3 H 1 1.428 0.030 . 2 . . . . 41 LYS HG3 . 11136 1 456 . 1 1 41 41 LYS C C 13 176.524 0.300 . 1 . . . . 41 LYS C . 11136 1 457 . 1 1 41 41 LYS CA C 13 57.081 0.300 . 1 . . . . 41 LYS CA . 11136 1 458 . 1 1 41 41 LYS CB C 13 29.968 0.300 . 1 . . . . 41 LYS CB . 11136 1 459 . 1 1 41 41 LYS CD C 13 27.165 0.300 . 1 . . . . 41 LYS CD . 11136 1 460 . 1 1 41 41 LYS CE C 13 39.778 0.300 . 1 . . . . 41 LYS CE . 11136 1 461 . 1 1 41 41 LYS CG C 13 22.480 0.300 . 1 . . . . 41 LYS CG . 11136 1 462 . 1 1 41 41 LYS N N 15 118.031 0.300 . 1 . . . . 41 LYS N . 11136 1 463 . 1 1 42 42 MET H H 1 7.301 0.030 . 1 . . . . 42 MET H . 11136 1 464 . 1 1 42 42 MET HA H 1 3.933 0.030 . 1 . . . . 42 MET HA . 11136 1 465 . 1 1 42 42 MET HB2 H 1 2.087 0.030 . 2 . . . . 42 MET HB2 . 11136 1 466 . 1 1 42 42 MET HB3 H 1 1.908 0.030 . 2 . . . . 42 MET HB3 . 11136 1 467 . 1 1 42 42 MET HE1 H 1 1.919 0.030 . 1 . . . . 42 MET HE . 11136 1 468 . 1 1 42 42 MET HE2 H 1 1.919 0.030 . 1 . . . . 42 MET HE . 11136 1 469 . 1 1 42 42 MET HE3 H 1 1.919 0.030 . 1 . . . . 42 MET HE . 11136 1 470 . 1 1 42 42 MET HG2 H 1 2.369 0.030 . 2 . . . . 42 MET HG2 . 11136 1 471 . 1 1 42 42 MET HG3 H 1 2.626 0.030 . 2 . . . . 42 MET HG3 . 11136 1 472 . 1 1 42 42 MET C C 13 175.581 0.300 . 1 . . . . 42 MET C . 11136 1 473 . 1 1 42 42 MET CA C 13 56.816 0.300 . 1 . . . . 42 MET CA . 11136 1 474 . 1 1 42 42 MET CB C 13 31.491 0.300 . 1 . . . . 42 MET CB . 11136 1 475 . 1 1 42 42 MET CE C 13 14.861 0.300 . 1 . . . . 42 MET CE . 11136 1 476 . 1 1 42 42 MET CG C 13 30.388 0.300 . 1 . . . . 42 MET CG . 11136 1 477 . 1 1 42 42 MET N N 15 117.166 0.300 . 1 . . . . 42 MET N . 11136 1 478 . 1 1 43 43 MET H H 1 8.273 0.030 . 1 . . . . 43 MET H . 11136 1 479 . 1 1 43 43 MET HA H 1 3.973 0.030 . 1 . . . . 43 MET HA . 11136 1 480 . 1 1 43 43 MET HB2 H 1 2.208 0.030 . 1 . . . . 43 MET HB2 . 11136 1 481 . 1 1 43 43 MET HB3 H 1 2.208 0.030 . 1 . . . . 43 MET HB3 . 11136 1 482 . 1 1 43 43 MET HE1 H 1 2.070 0.030 . 1 . . . . 43 MET HE . 11136 1 483 . 1 1 43 43 MET HE2 H 1 2.070 0.030 . 1 . . . . 43 MET HE . 11136 1 484 . 1 1 43 43 MET HE3 H 1 2.070 0.030 . 1 . . . . 43 MET HE . 11136 1 485 . 1 1 43 43 MET HG2 H 1 2.625 0.030 . 1 . . . . 43 MET HG2 . 11136 1 486 . 1 1 43 43 MET HG3 H 1 2.625 0.030 . 1 . . . . 43 MET HG3 . 11136 1 487 . 1 1 43 43 MET C C 13 176.615 0.300 . 1 . . . . 43 MET C . 11136 1 488 . 1 1 43 43 MET CA C 13 57.711 0.300 . 1 . . . . 43 MET CA . 11136 1 489 . 1 1 43 43 MET CB C 13 30.738 0.300 . 1 . . . . 43 MET CB . 11136 1 490 . 1 1 43 43 MET CE C 13 14.916 0.300 . 1 . . . . 43 MET CE . 11136 1 491 . 1 1 43 43 MET CG C 13 30.382 0.300 . 1 . . . . 43 MET CG . 11136 1 492 . 1 1 43 43 MET N N 15 117.656 0.300 . 1 . . . . 43 MET N . 11136 1 493 . 1 1 44 44 ASP H H 1 8.053 0.030 . 1 . . . . 44 ASP H . 11136 1 494 . 1 1 44 44 ASP HA H 1 4.348 0.030 . 1 . . . . 44 ASP HA . 11136 1 495 . 1 1 44 44 ASP HB2 H 1 2.567 0.030 . 2 . . . . 44 ASP HB2 . 11136 1 496 . 1 1 44 44 ASP HB3 H 1 2.697 0.030 . 2 . . . . 44 ASP HB3 . 11136 1 497 . 1 1 44 44 ASP C C 13 176.475 0.300 . 1 . . . . 44 ASP C . 11136 1 498 . 1 1 44 44 ASP CA C 13 54.552 0.300 . 1 . . . . 44 ASP CA . 11136 1 499 . 1 1 44 44 ASP CB C 13 38.129 0.300 . 1 . . . . 44 ASP CB . 11136 1 500 . 1 1 44 44 ASP N N 15 118.199 0.300 . 1 . . . . 44 ASP N . 11136 1 501 . 1 1 45 45 GLU H H 1 8.005 0.030 . 1 . . . . 45 GLU H . 11136 1 502 . 1 1 45 45 GLU HA H 1 3.784 0.030 . 1 . . . . 45 GLU HA . 11136 1 503 . 1 1 45 45 GLU HB2 H 1 1.682 0.030 . 2 . . . . 45 GLU HB2 . 11136 1 504 . 1 1 45 45 GLU HB3 H 1 1.286 0.030 . 2 . . . . 45 GLU HB3 . 11136 1 505 . 1 1 45 45 GLU HG2 H 1 1.531 0.030 . 2 . . . . 45 GLU HG2 . 11136 1 506 . 1 1 45 45 GLU HG3 H 1 1.866 0.030 . 2 . . . . 45 GLU HG3 . 11136 1 507 . 1 1 45 45 GLU C C 13 176.056 0.300 . 1 . . . . 45 GLU C . 11136 1 508 . 1 1 45 45 GLU CA C 13 56.639 0.300 . 1 . . . . 45 GLU CA . 11136 1 509 . 1 1 45 45 GLU CB C 13 27.193 0.300 . 1 . . . . 45 GLU CB . 11136 1 510 . 1 1 45 45 GLU CG C 13 33.448 0.300 . 1 . . . . 45 GLU CG . 11136 1 511 . 1 1 45 45 GLU N N 15 119.375 0.300 . 1 . . . . 45 GLU N . 11136 1 512 . 1 1 46 46 PHE H H 1 7.773 0.030 . 1 . . . . 46 PHE H . 11136 1 513 . 1 1 46 46 PHE HA H 1 4.721 0.030 . 1 . . . . 46 PHE HA . 11136 1 514 . 1 1 46 46 PHE HB2 H 1 3.320 0.030 . 2 . . . . 46 PHE HB2 . 11136 1 515 . 1 1 46 46 PHE HB3 H 1 2.746 0.030 . 2 . . . . 46 PHE HB3 . 11136 1 516 . 1 1 46 46 PHE HD1 H 1 7.093 0.030 . 1 . . . . 46 PHE HD1 . 11136 1 517 . 1 1 46 46 PHE HD2 H 1 7.093 0.030 . 1 . . . . 46 PHE HD2 . 11136 1 518 . 1 1 46 46 PHE HE1 H 1 7.146 0.030 . 1 . . . . 46 PHE HE1 . 11136 1 519 . 1 1 46 46 PHE HE2 H 1 7.146 0.030 . 1 . . . . 46 PHE HE2 . 11136 1 520 . 1 1 46 46 PHE C C 13 171.885 0.300 . 1 . . . . 46 PHE C . 11136 1 521 . 1 1 46 46 PHE CA C 13 54.233 0.300 . 1 . . . . 46 PHE CA . 11136 1 522 . 1 1 46 46 PHE CB C 13 37.571 0.300 . 1 . . . . 46 PHE CB . 11136 1 523 . 1 1 46 46 PHE CD1 C 13 128.598 0.300 . 1 . . . . 46 PHE CD1 . 11136 1 524 . 1 1 46 46 PHE CD2 C 13 128.598 0.300 . 1 . . . . 46 PHE CD2 . 11136 1 525 . 1 1 46 46 PHE CE1 C 13 128.671 0.300 . 1 . . . . 46 PHE CE1 . 11136 1 526 . 1 1 46 46 PHE CE2 C 13 128.671 0.300 . 1 . . . . 46 PHE CE2 . 11136 1 527 . 1 1 46 46 PHE N N 15 113.359 0.300 . 1 . . . . 46 PHE N . 11136 1 528 . 1 1 47 47 GLU H H 1 7.766 0.030 . 1 . . . . 47 GLU H . 11136 1 529 . 1 1 47 47 GLU HA H 1 3.938 0.030 . 1 . . . . 47 GLU HA . 11136 1 530 . 1 1 47 47 GLU HB2 H 1 2.113 0.030 . 1 . . . . 47 GLU HB2 . 11136 1 531 . 1 1 47 47 GLU HB3 H 1 2.113 0.030 . 1 . . . . 47 GLU HB3 . 11136 1 532 . 1 1 47 47 GLU HG2 H 1 2.114 0.030 . 2 . . . . 47 GLU HG2 . 11136 1 533 . 1 1 47 47 GLU HG3 H 1 2.020 0.030 . 2 . . . . 47 GLU HG3 . 11136 1 534 . 1 1 47 47 GLU C C 13 173.125 0.300 . 1 . . . . 47 GLU C . 11136 1 535 . 1 1 47 47 GLU CA C 13 54.975 0.300 . 1 . . . . 47 GLU CA . 11136 1 536 . 1 1 47 47 GLU CB C 13 24.652 0.300 . 1 . . . . 47 GLU CB . 11136 1 537 . 1 1 47 47 GLU CG C 13 34.810 0.300 . 1 . . . . 47 GLU CG . 11136 1 538 . 1 1 47 47 GLU N N 15 116.416 0.300 . 1 . . . . 47 GLU N . 11136 1 539 . 1 1 48 48 VAL H H 1 7.487 0.030 . 1 . . . . 48 VAL H . 11136 1 540 . 1 1 48 48 VAL HA H 1 4.868 0.030 . 1 . . . . 48 VAL HA . 11136 1 541 . 1 1 48 48 VAL HB H 1 1.926 0.030 . 1 . . . . 48 VAL HB . 11136 1 542 . 1 1 48 48 VAL HG11 H 1 0.657 0.030 . 1 . . . . 48 VAL HG1 . 11136 1 543 . 1 1 48 48 VAL HG12 H 1 0.657 0.030 . 1 . . . . 48 VAL HG1 . 11136 1 544 . 1 1 48 48 VAL HG13 H 1 0.657 0.030 . 1 . . . . 48 VAL HG1 . 11136 1 545 . 1 1 48 48 VAL HG21 H 1 0.546 0.030 . 1 . . . . 48 VAL HG2 . 11136 1 546 . 1 1 48 48 VAL HG22 H 1 0.546 0.030 . 1 . . . . 48 VAL HG2 . 11136 1 547 . 1 1 48 48 VAL HG23 H 1 0.546 0.030 . 1 . . . . 48 VAL HG2 . 11136 1 548 . 1 1 48 48 VAL C C 13 172.221 0.300 . 1 . . . . 48 VAL C . 11136 1 549 . 1 1 48 48 VAL CA C 13 56.255 0.300 . 1 . . . . 48 VAL CA . 11136 1 550 . 1 1 48 48 VAL CB C 13 33.193 0.300 . 1 . . . . 48 VAL CB . 11136 1 551 . 1 1 48 48 VAL CG1 C 13 19.863 0.300 . 2 . . . . 48 VAL CG1 . 11136 1 552 . 1 1 48 48 VAL CG2 C 13 16.579 0.300 . 2 . . . . 48 VAL CG2 . 11136 1 553 . 1 1 48 48 VAL N N 15 108.838 0.300 . 1 . . . . 48 VAL N . 11136 1 554 . 1 1 49 49 ASN H H 1 8.761 0.030 . 1 . . . . 49 ASN H . 11136 1 555 . 1 1 49 49 ASN HA H 1 4.936 0.030 . 1 . . . . 49 ASN HA . 11136 1 556 . 1 1 49 49 ASN HB2 H 1 2.512 0.030 . 1 . . . . 49 ASN HB2 . 11136 1 557 . 1 1 49 49 ASN HB3 H 1 2.512 0.030 . 1 . . . . 49 ASN HB3 . 11136 1 558 . 1 1 49 49 ASN HD21 H 1 7.380 0.030 . 2 . . . . 49 ASN HD21 . 11136 1 559 . 1 1 49 49 ASN HD22 H 1 6.809 0.030 . 2 . . . . 49 ASN HD22 . 11136 1 560 . 1 1 49 49 ASN C C 13 171.986 0.300 . 1 . . . . 49 ASN C . 11136 1 561 . 1 1 49 49 ASN CA C 13 50.041 0.300 . 1 . . . . 49 ASN CA . 11136 1 562 . 1 1 49 49 ASN CB C 13 39.031 0.300 . 1 . . . . 49 ASN CB . 11136 1 563 . 1 1 49 49 ASN N N 15 118.132 0.300 . 1 . . . . 49 ASN N . 11136 1 564 . 1 1 49 49 ASN ND2 N 15 111.794 0.300 . 1 . . . . 49 ASN ND2 . 11136 1 565 . 1 1 50 50 ILE H H 1 7.841 0.030 . 1 . . . . 50 ILE H . 11136 1 566 . 1 1 50 50 ILE HA H 1 4.570 0.030 . 1 . . . . 50 ILE HA . 11136 1 567 . 1 1 50 50 ILE HB H 1 1.401 0.030 . 1 . . . . 50 ILE HB . 11136 1 568 . 1 1 50 50 ILE HD11 H 1 0.650 0.030 . 1 . . . . 50 ILE HD1 . 11136 1 569 . 1 1 50 50 ILE HD12 H 1 0.650 0.030 . 1 . . . . 50 ILE HD1 . 11136 1 570 . 1 1 50 50 ILE HD13 H 1 0.650 0.030 . 1 . . . . 50 ILE HD1 . 11136 1 571 . 1 1 50 50 ILE HG12 H 1 0.749 0.030 . 2 . . . . 50 ILE HG12 . 11136 1 572 . 1 1 50 50 ILE HG13 H 1 1.372 0.030 . 2 . . . . 50 ILE HG13 . 11136 1 573 . 1 1 50 50 ILE HG21 H 1 0.570 0.030 . 1 . . . . 50 ILE HG2 . 11136 1 574 . 1 1 50 50 ILE HG22 H 1 0.570 0.030 . 1 . . . . 50 ILE HG2 . 11136 1 575 . 1 1 50 50 ILE HG23 H 1 0.570 0.030 . 1 . . . . 50 ILE HG2 . 11136 1 576 . 1 1 50 50 ILE C C 13 171.019 0.300 . 1 . . . . 50 ILE C . 11136 1 577 . 1 1 50 50 ILE CA C 13 58.036 0.300 . 1 . . . . 50 ILE CA . 11136 1 578 . 1 1 50 50 ILE CB C 13 38.094 0.300 . 1 . . . . 50 ILE CB . 11136 1 579 . 1 1 50 50 ILE CD1 C 13 11.397 0.300 . 1 . . . . 50 ILE CD1 . 11136 1 580 . 1 1 50 50 ILE CG1 C 13 26.246 0.300 . 1 . . . . 50 ILE CG1 . 11136 1 581 . 1 1 50 50 ILE CG2 C 13 15.001 0.300 . 1 . . . . 50 ILE CG2 . 11136 1 582 . 1 1 50 50 ILE N N 15 122.139 0.300 . 1 . . . . 50 ILE N . 11136 1 583 . 1 1 51 51 HIS H H 1 9.153 0.030 . 1 . . . . 51 HIS H . 11136 1 584 . 1 1 51 51 HIS HA H 1 4.721 0.030 . 1 . . . . 51 HIS HA . 11136 1 585 . 1 1 51 51 HIS HB2 H 1 2.832 0.030 . 2 . . . . 51 HIS HB2 . 11136 1 586 . 1 1 51 51 HIS HB3 H 1 2.932 0.030 . 2 . . . . 51 HIS HB3 . 11136 1 587 . 1 1 51 51 HIS HD2 H 1 6.680 0.030 . 1 . . . . 51 HIS HD2 . 11136 1 588 . 1 1 51 51 HIS HE1 H 1 7.665 0.030 . 1 . . . . 51 HIS HE1 . 11136 1 589 . 1 1 51 51 HIS C C 13 171.153 0.300 . 1 . . . . 51 HIS C . 11136 1 590 . 1 1 51 51 HIS CA C 13 52.570 0.300 . 1 . . . . 51 HIS CA . 11136 1 591 . 1 1 51 51 HIS CB C 13 29.313 0.300 . 1 . . . . 51 HIS CB . 11136 1 592 . 1 1 51 51 HIS CD2 C 13 118.332 0.300 . 1 . . . . 51 HIS CD2 . 11136 1 593 . 1 1 51 51 HIS CE1 C 13 135.826 0.300 . 1 . . . . 51 HIS CE1 . 11136 1 594 . 1 1 51 51 HIS N N 15 127.304 0.300 . 1 . . . . 51 HIS N . 11136 1 595 . 1 1 52 52 VAL H H 1 8.388 0.030 . 1 . . . . 52 VAL H . 11136 1 596 . 1 1 52 52 VAL HA H 1 4.231 0.030 . 1 . . . . 52 VAL HA . 11136 1 597 . 1 1 52 52 VAL HB H 1 1.836 0.030 . 1 . . . . 52 VAL HB . 11136 1 598 . 1 1 52 52 VAL HG11 H 1 0.836 0.030 . 1 . . . . 52 VAL HG1 . 11136 1 599 . 1 1 52 52 VAL HG12 H 1 0.836 0.030 . 1 . . . . 52 VAL HG1 . 11136 1 600 . 1 1 52 52 VAL HG13 H 1 0.836 0.030 . 1 . . . . 52 VAL HG1 . 11136 1 601 . 1 1 52 52 VAL HG21 H 1 0.608 0.030 . 1 . . . . 52 VAL HG2 . 11136 1 602 . 1 1 52 52 VAL HG22 H 1 0.608 0.030 . 1 . . . . 52 VAL HG2 . 11136 1 603 . 1 1 52 52 VAL HG23 H 1 0.608 0.030 . 1 . . . . 52 VAL HG2 . 11136 1 604 . 1 1 52 52 VAL C C 13 171.379 0.300 . 1 . . . . 52 VAL C . 11136 1 605 . 1 1 52 52 VAL CA C 13 56.550 0.300 . 1 . . . . 52 VAL CA . 11136 1 606 . 1 1 52 52 VAL CB C 13 29.886 0.300 . 1 . . . . 52 VAL CB . 11136 1 607 . 1 1 52 52 VAL CG1 C 13 19.022 0.300 . 2 . . . . 52 VAL CG1 . 11136 1 608 . 1 1 52 52 VAL CG2 C 13 19.097 0.300 . 2 . . . . 52 VAL CG2 . 11136 1 609 . 1 1 52 52 VAL N N 15 128.381 0.300 . 1 . . . . 52 VAL N . 11136 1 610 . 1 1 53 53 PRO HA H 1 4.271 0.030 . 1 . . . . 53 PRO HA . 11136 1 611 . 1 1 53 53 PRO HB2 H 1 2.335 0.030 . 2 . . . . 53 PRO HB2 . 11136 1 612 . 1 1 53 53 PRO HB3 H 1 2.138 0.030 . 2 . . . . 53 PRO HB3 . 11136 1 613 . 1 1 53 53 PRO HD2 H 1 3.666 0.030 . 2 . . . . 53 PRO HD2 . 11136 1 614 . 1 1 53 53 PRO HD3 H 1 3.891 0.030 . 2 . . . . 53 PRO HD3 . 11136 1 615 . 1 1 53 53 PRO HG2 H 1 2.192 0.030 . 2 . . . . 53 PRO HG2 . 11136 1 616 . 1 1 53 53 PRO HG3 H 1 2.330 0.030 . 2 . . . . 53 PRO HG3 . 11136 1 617 . 1 1 53 53 PRO C C 13 173.699 0.300 . 1 . . . . 53 PRO C . 11136 1 618 . 1 1 53 53 PRO CA C 13 60.147 0.300 . 1 . . . . 53 PRO CA . 11136 1 619 . 1 1 53 53 PRO CB C 13 29.906 0.300 . 1 . . . . 53 PRO CB . 11136 1 620 . 1 1 53 53 PRO CD C 13 49.760 0.300 . 1 . . . . 53 PRO CD . 11136 1 621 . 1 1 53 53 PRO CG C 13 25.264 0.300 . 1 . . . . 53 PRO CG . 11136 1 622 . 1 1 54 54 ALA H H 1 8.535 0.030 . 1 . . . . 54 ALA H . 11136 1 623 . 1 1 54 54 ALA HA H 1 4.405 0.030 . 1 . . . . 54 ALA HA . 11136 1 624 . 1 1 54 54 ALA HB1 H 1 1.414 0.030 . 1 . . . . 54 ALA HB . 11136 1 625 . 1 1 54 54 ALA HB2 H 1 1.414 0.030 . 1 . . . . 54 ALA HB . 11136 1 626 . 1 1 54 54 ALA HB3 H 1 1.414 0.030 . 1 . . . . 54 ALA HB . 11136 1 627 . 1 1 54 54 ALA C C 13 175.532 0.300 . 1 . . . . 54 ALA C . 11136 1 628 . 1 1 54 54 ALA CA C 13 48.580 0.300 . 1 . . . . 54 ALA CA . 11136 1 629 . 1 1 54 54 ALA CB C 13 14.966 0.300 . 1 . . . . 54 ALA CB . 11136 1 630 . 1 1 54 54 ALA N N 15 124.988 0.300 . 1 . . . . 54 ALA N . 11136 1 631 . 1 1 55 55 PRO HA H 1 4.443 0.030 . 1 . . . . 55 PRO HA . 11136 1 632 . 1 1 55 55 PRO HB2 H 1 2.494 0.030 . 2 . . . . 55 PRO HB2 . 11136 1 633 . 1 1 55 55 PRO HB3 H 1 1.973 0.030 . 2 . . . . 55 PRO HB3 . 11136 1 634 . 1 1 55 55 PRO HD2 H 1 3.795 0.030 . 2 . . . . 55 PRO HD2 . 11136 1 635 . 1 1 55 55 PRO HD3 H 1 3.863 0.030 . 2 . . . . 55 PRO HD3 . 11136 1 636 . 1 1 55 55 PRO HG2 H 1 2.091 0.030 . 1 . . . . 55 PRO HG2 . 11136 1 637 . 1 1 55 55 PRO HG3 H 1 2.091 0.030 . 1 . . . . 55 PRO HG3 . 11136 1 638 . 1 1 55 55 PRO C C 13 176.698 0.300 . 1 . . . . 55 PRO C . 11136 1 639 . 1 1 55 55 PRO CA C 13 62.826 0.300 . 1 . . . . 55 PRO CA . 11136 1 640 . 1 1 55 55 PRO CB C 13 29.386 0.300 . 1 . . . . 55 PRO CB . 11136 1 641 . 1 1 55 55 PRO CD C 13 48.433 0.300 . 1 . . . . 55 PRO CD . 11136 1 642 . 1 1 55 55 PRO CG C 13 25.224 0.300 . 1 . . . . 55 PRO CG . 11136 1 643 . 1 1 56 56 GLU H H 1 9.380 0.030 . 1 . . . . 56 GLU H . 11136 1 644 . 1 1 56 56 GLU HA H 1 3.954 0.030 . 1 . . . . 56 GLU HA . 11136 1 645 . 1 1 56 56 GLU HB2 H 1 1.914 0.030 . 1 . . . . 56 GLU HB2 . 11136 1 646 . 1 1 56 56 GLU HB3 H 1 1.914 0.030 . 1 . . . . 56 GLU HB3 . 11136 1 647 . 1 1 56 56 GLU HG2 H 1 2.171 0.030 . 1 . . . . 56 GLU HG2 . 11136 1 648 . 1 1 56 56 GLU HG3 H 1 2.171 0.030 . 1 . . . . 56 GLU HG3 . 11136 1 649 . 1 1 56 56 GLU C C 13 175.253 0.300 . 1 . . . . 56 GLU C . 11136 1 650 . 1 1 56 56 GLU CA C 13 56.744 0.300 . 1 . . . . 56 GLU CA . 11136 1 651 . 1 1 56 56 GLU CB C 13 25.764 0.300 . 1 . . . . 56 GLU CB . 11136 1 652 . 1 1 56 56 GLU CG C 13 33.842 0.300 . 1 . . . . 56 GLU CG . 11136 1 653 . 1 1 56 56 GLU N N 15 117.126 0.300 . 1 . . . . 56 GLU N . 11136 1 654 . 1 1 57 57 LEU H H 1 7.507 0.030 . 1 . . . . 57 LEU H . 11136 1 655 . 1 1 57 57 LEU HA H 1 3.938 0.030 . 1 . . . . 57 LEU HA . 11136 1 656 . 1 1 57 57 LEU HB2 H 1 1.664 0.030 . 2 . . . . 57 LEU HB2 . 11136 1 657 . 1 1 57 57 LEU HB3 H 1 1.385 0.030 . 2 . . . . 57 LEU HB3 . 11136 1 658 . 1 1 57 57 LEU HD11 H 1 0.958 0.030 . 1 . . . . 57 LEU HD1 . 11136 1 659 . 1 1 57 57 LEU HD12 H 1 0.958 0.030 . 1 . . . . 57 LEU HD1 . 11136 1 660 . 1 1 57 57 LEU HD13 H 1 0.958 0.030 . 1 . . . . 57 LEU HD1 . 11136 1 661 . 1 1 57 57 LEU HD21 H 1 0.769 0.030 . 1 . . . . 57 LEU HD2 . 11136 1 662 . 1 1 57 57 LEU HD22 H 1 0.769 0.030 . 1 . . . . 57 LEU HD2 . 11136 1 663 . 1 1 57 57 LEU HD23 H 1 0.769 0.030 . 1 . . . . 57 LEU HD2 . 11136 1 664 . 1 1 57 57 LEU HG H 1 1.557 0.030 . 1 . . . . 57 LEU HG . 11136 1 665 . 1 1 57 57 LEU C C 13 174.124 0.300 . 1 . . . . 57 LEU C . 11136 1 666 . 1 1 57 57 LEU CA C 13 53.349 0.300 . 1 . . . . 57 LEU CA . 11136 1 667 . 1 1 57 57 LEU CB C 13 39.035 0.300 . 1 . . . . 57 LEU CB . 11136 1 668 . 1 1 57 57 LEU CD1 C 13 23.209 0.300 . 2 . . . . 57 LEU CD1 . 11136 1 669 . 1 1 57 57 LEU CD2 C 13 20.076 0.300 . 2 . . . . 57 LEU CD2 . 11136 1 670 . 1 1 57 57 LEU CG C 13 25.108 0.300 . 1 . . . . 57 LEU CG . 11136 1 671 . 1 1 57 57 LEU N N 15 117.629 0.300 . 1 . . . . 57 LEU N . 11136 1 672 . 1 1 58 58 GLN H H 1 7.348 0.030 . 1 . . . . 58 GLN H . 11136 1 673 . 1 1 58 58 GLN HA H 1 2.173 0.030 . 1 . . . . 58 GLN HA . 11136 1 674 . 1 1 58 58 GLN HB2 H 1 1.584 0.030 . 2 . . . . 58 GLN HB2 . 11136 1 675 . 1 1 58 58 GLN HB3 H 1 1.252 0.030 . 2 . . . . 58 GLN HB3 . 11136 1 676 . 1 1 58 58 GLN HE21 H 1 6.536 0.030 . 2 . . . . 58 GLN HE21 . 11136 1 677 . 1 1 58 58 GLN HE22 H 1 7.138 0.030 . 2 . . . . 58 GLN HE22 . 11136 1 678 . 1 1 58 58 GLN HG2 H 1 1.488 0.030 . 2 . . . . 58 GLN HG2 . 11136 1 679 . 1 1 58 58 GLN HG3 H 1 1.682 0.030 . 2 . . . . 58 GLN HG3 . 11136 1 680 . 1 1 58 58 GLN C C 13 172.161 0.300 . 1 . . . . 58 GLN C . 11136 1 681 . 1 1 58 58 GLN CA C 13 53.613 0.300 . 1 . . . . 58 GLN CA . 11136 1 682 . 1 1 58 58 GLN CB C 13 24.104 0.300 . 1 . . . . 58 GLN CB . 11136 1 683 . 1 1 58 58 GLN CG C 13 31.782 0.300 . 1 . . . . 58 GLN CG . 11136 1 684 . 1 1 58 58 GLN N N 15 116.543 0.300 . 1 . . . . 58 GLN N . 11136 1 685 . 1 1 58 58 GLN NE2 N 15 111.084 0.300 . 1 . . . . 58 GLN NE2 . 11136 1 686 . 1 1 59 59 SER H H 1 8.930 0.030 . 1 . . . . 59 SER H . 11136 1 687 . 1 1 59 59 SER HA H 1 4.308 0.030 . 1 . . . . 59 SER HA . 11136 1 688 . 1 1 59 59 SER HB2 H 1 3.633 0.030 . 2 . . . . 59 SER HB2 . 11136 1 689 . 1 1 59 59 SER HB3 H 1 3.566 0.030 . 2 . . . . 59 SER HB3 . 11136 1 690 . 1 1 59 59 SER C C 13 171.221 0.300 . 1 . . . . 59 SER C . 11136 1 691 . 1 1 59 59 SER CA C 13 54.180 0.300 . 1 . . . . 59 SER CA . 11136 1 692 . 1 1 59 59 SER CB C 13 62.260 0.300 . 1 . . . . 59 SER CB . 11136 1 693 . 1 1 59 59 SER N N 15 114.765 0.300 . 1 . . . . 59 SER N . 11136 1 694 . 1 1 60 60 ASP H H 1 8.087 0.030 . 1 . . . . 60 ASP H . 11136 1 695 . 1 1 60 60 ASP HA H 1 5.163 0.030 . 1 . . . . 60 ASP HA . 11136 1 696 . 1 1 60 60 ASP HB2 H 1 2.457 0.030 . 2 . . . . 60 ASP HB2 . 11136 1 697 . 1 1 60 60 ASP HB3 H 1 2.868 0.030 . 2 . . . . 60 ASP HB3 . 11136 1 698 . 1 1 60 60 ASP C C 13 173.505 0.300 . 1 . . . . 60 ASP C . 11136 1 699 . 1 1 60 60 ASP CA C 13 51.301 0.300 . 1 . . . . 60 ASP CA . 11136 1 700 . 1 1 60 60 ASP CB C 13 39.484 0.300 . 1 . . . . 60 ASP CB . 11136 1 701 . 1 1 60 60 ASP N N 15 122.041 0.300 . 1 . . . . 60 ASP N . 11136 1 702 . 1 1 61 61 ILE H H 1 7.795 0.030 . 1 . . . . 61 ILE H . 11136 1 703 . 1 1 61 61 ILE HA H 1 4.462 0.030 . 1 . . . . 61 ILE HA . 11136 1 704 . 1 1 61 61 ILE HB H 1 1.659 0.030 . 1 . . . . 61 ILE HB . 11136 1 705 . 1 1 61 61 ILE HD11 H 1 0.615 0.030 . 1 . . . . 61 ILE HD1 . 11136 1 706 . 1 1 61 61 ILE HD12 H 1 0.615 0.030 . 1 . . . . 61 ILE HD1 . 11136 1 707 . 1 1 61 61 ILE HD13 H 1 0.615 0.030 . 1 . . . . 61 ILE HD1 . 11136 1 708 . 1 1 61 61 ILE HG12 H 1 1.083 0.030 . 2 . . . . 61 ILE HG12 . 11136 1 709 . 1 1 61 61 ILE HG13 H 1 1.331 0.030 . 2 . . . . 61 ILE HG13 . 11136 1 710 . 1 1 61 61 ILE HG21 H 1 0.609 0.030 . 1 . . . . 61 ILE HG2 . 11136 1 711 . 1 1 61 61 ILE HG22 H 1 0.609 0.030 . 1 . . . . 61 ILE HG2 . 11136 1 712 . 1 1 61 61 ILE HG23 H 1 0.609 0.030 . 1 . . . . 61 ILE HG2 . 11136 1 713 . 1 1 61 61 ILE C C 13 173.050 0.300 . 1 . . . . 61 ILE C . 11136 1 714 . 1 1 61 61 ILE CA C 13 57.770 0.300 . 1 . . . . 61 ILE CA . 11136 1 715 . 1 1 61 61 ILE CB C 13 37.051 0.300 . 1 . . . . 61 ILE CB . 11136 1 716 . 1 1 61 61 ILE CD1 C 13 9.305 0.300 . 1 . . . . 61 ILE CD1 . 11136 1 717 . 1 1 61 61 ILE CG1 C 13 24.435 0.300 . 1 . . . . 61 ILE CG1 . 11136 1 718 . 1 1 61 61 ILE CG2 C 13 15.776 0.300 . 1 . . . . 61 ILE CG2 . 11136 1 719 . 1 1 61 61 ILE N N 15 118.116 0.300 . 1 . . . . 61 ILE N . 11136 1 720 . 1 1 62 62 ILE H H 1 8.665 0.030 . 1 . . . . 62 ILE H . 11136 1 721 . 1 1 62 62 ILE HA H 1 4.155 0.030 . 1 . . . . 62 ILE HA . 11136 1 722 . 1 1 62 62 ILE HB H 1 1.445 0.030 . 1 . . . . 62 ILE HB . 11136 1 723 . 1 1 62 62 ILE HD11 H 1 0.201 0.030 . 1 . . . . 62 ILE HD1 . 11136 1 724 . 1 1 62 62 ILE HD12 H 1 0.201 0.030 . 1 . . . . 62 ILE HD1 . 11136 1 725 . 1 1 62 62 ILE HD13 H 1 0.201 0.030 . 1 . . . . 62 ILE HD1 . 11136 1 726 . 1 1 62 62 ILE HG12 H 1 1.233 0.030 . 2 . . . . 62 ILE HG12 . 11136 1 727 . 1 1 62 62 ILE HG13 H 1 0.620 0.030 . 2 . . . . 62 ILE HG13 . 11136 1 728 . 1 1 62 62 ILE HG21 H 1 0.464 0.030 . 1 . . . . 62 ILE HG2 . 11136 1 729 . 1 1 62 62 ILE HG22 H 1 0.464 0.030 . 1 . . . . 62 ILE HG2 . 11136 1 730 . 1 1 62 62 ILE HG23 H 1 0.464 0.030 . 1 . . . . 62 ILE HG2 . 11136 1 731 . 1 1 62 62 ILE C C 13 171.650 0.300 . 1 . . . . 62 ILE C . 11136 1 732 . 1 1 62 62 ILE CA C 13 58.106 0.300 . 1 . . . . 62 ILE CA . 11136 1 733 . 1 1 62 62 ILE CB C 13 37.868 0.300 . 1 . . . . 62 ILE CB . 11136 1 734 . 1 1 62 62 ILE CD1 C 13 10.298 0.300 . 1 . . . . 62 ILE CD1 . 11136 1 735 . 1 1 62 62 ILE CG1 C 13 26.321 0.300 . 1 . . . . 62 ILE CG1 . 11136 1 736 . 1 1 62 62 ILE CG2 C 13 14.941 0.300 . 1 . . . . 62 ILE CG2 . 11136 1 737 . 1 1 62 62 ILE N N 15 125.362 0.300 . 1 . . . . 62 ILE N . 11136 1 738 . 1 1 63 63 ALA H H 1 7.960 0.030 . 1 . . . . 63 ALA H . 11136 1 739 . 1 1 63 63 ALA HA H 1 5.387 0.030 . 1 . . . . 63 ALA HA . 11136 1 740 . 1 1 63 63 ALA HB1 H 1 1.241 0.030 . 1 . . . . 63 ALA HB . 11136 1 741 . 1 1 63 63 ALA HB2 H 1 1.241 0.030 . 1 . . . . 63 ALA HB . 11136 1 742 . 1 1 63 63 ALA HB3 H 1 1.241 0.030 . 1 . . . . 63 ALA HB . 11136 1 743 . 1 1 63 63 ALA C C 13 174.329 0.300 . 1 . . . . 63 ALA C . 11136 1 744 . 1 1 63 63 ALA CA C 13 47.742 0.300 . 1 . . . . 63 ALA CA . 11136 1 745 . 1 1 63 63 ALA CB C 13 18.922 0.300 . 1 . . . . 63 ALA CB . 11136 1 746 . 1 1 63 63 ALA N N 15 128.160 0.300 . 1 . . . . 63 ALA N . 11136 1 747 . 1 1 64 64 ILE H H 1 8.997 0.030 . 1 . . . . 64 ILE H . 11136 1 748 . 1 1 64 64 ILE HA H 1 4.859 0.030 . 1 . . . . 64 ILE HA . 11136 1 749 . 1 1 64 64 ILE HB H 1 1.472 0.030 . 1 . . . . 64 ILE HB . 11136 1 750 . 1 1 64 64 ILE HD11 H 1 0.499 0.030 . 1 . . . . 64 ILE HD1 . 11136 1 751 . 1 1 64 64 ILE HD12 H 1 0.499 0.030 . 1 . . . . 64 ILE HD1 . 11136 1 752 . 1 1 64 64 ILE HD13 H 1 0.499 0.030 . 1 . . . . 64 ILE HD1 . 11136 1 753 . 1 1 64 64 ILE HG12 H 1 1.462 0.030 . 2 . . . . 64 ILE HG12 . 11136 1 754 . 1 1 64 64 ILE HG13 H 1 0.662 0.030 . 2 . . . . 64 ILE HG13 . 11136 1 755 . 1 1 64 64 ILE HG21 H 1 0.602 0.030 . 1 . . . . 64 ILE HG2 . 11136 1 756 . 1 1 64 64 ILE HG22 H 1 0.602 0.030 . 1 . . . . 64 ILE HG2 . 11136 1 757 . 1 1 64 64 ILE HG23 H 1 0.602 0.030 . 1 . . . . 64 ILE HG2 . 11136 1 758 . 1 1 64 64 ILE C C 13 171.980 0.300 . 1 . . . . 64 ILE C . 11136 1 759 . 1 1 64 64 ILE CA C 13 57.894 0.300 . 1 . . . . 64 ILE CA . 11136 1 760 . 1 1 64 64 ILE CB C 13 37.838 0.300 . 1 . . . . 64 ILE CB . 11136 1 761 . 1 1 64 64 ILE CD1 C 13 11.360 0.300 . 1 . . . . 64 ILE CD1 . 11136 1 762 . 1 1 64 64 ILE CG1 C 13 24.182 0.300 . 1 . . . . 64 ILE CG1 . 11136 1 763 . 1 1 64 64 ILE CG2 C 13 16.201 0.300 . 1 . . . . 64 ILE CG2 . 11136 1 764 . 1 1 64 64 ILE N N 15 121.143 0.300 . 1 . . . . 64 ILE N . 11136 1 765 . 1 1 65 65 THR H H 1 8.871 0.030 . 1 . . . . 65 THR H . 11136 1 766 . 1 1 65 65 THR HA H 1 5.686 0.030 . 1 . . . . 65 THR HA . 11136 1 767 . 1 1 65 65 THR HB H 1 3.682 0.030 . 1 . . . . 65 THR HB . 11136 1 768 . 1 1 65 65 THR HG21 H 1 1.024 0.030 . 1 . . . . 65 THR HG2 . 11136 1 769 . 1 1 65 65 THR HG22 H 1 1.024 0.030 . 1 . . . . 65 THR HG2 . 11136 1 770 . 1 1 65 65 THR HG23 H 1 1.024 0.030 . 1 . . . . 65 THR HG2 . 11136 1 771 . 1 1 65 65 THR C C 13 172.284 0.300 . 1 . . . . 65 THR C . 11136 1 772 . 1 1 65 65 THR CA C 13 58.513 0.300 . 1 . . . . 65 THR CA . 11136 1 773 . 1 1 65 65 THR CB C 13 69.391 0.300 . 1 . . . . 65 THR CB . 11136 1 774 . 1 1 65 65 THR CG2 C 13 19.187 0.300 . 1 . . . . 65 THR CG2 . 11136 1 775 . 1 1 65 65 THR N N 15 121.408 0.300 . 1 . . . . 65 THR N . 11136 1 776 . 1 1 66 66 GLY H H 1 9.104 0.030 . 1 . . . . 66 GLY H . 11136 1 777 . 1 1 66 66 GLY HA2 H 1 4.228 0.030 . 2 . . . . 66 GLY HA2 . 11136 1 778 . 1 1 66 66 GLY HA3 H 1 4.037 0.030 . 2 . . . . 66 GLY HA3 . 11136 1 779 . 1 1 66 66 GLY C C 13 168.891 0.300 . 1 . . . . 66 GLY C . 11136 1 780 . 1 1 66 66 GLY CA C 13 42.825 0.300 . 1 . . . . 66 GLY CA . 11136 1 781 . 1 1 66 66 GLY N N 15 113.533 0.300 . 1 . . . . 66 GLY N . 11136 1 782 . 1 1 67 67 LEU H H 1 8.693 0.030 . 1 . . . . 67 LEU H . 11136 1 783 . 1 1 67 67 LEU HA H 1 4.328 0.030 . 1 . . . . 67 LEU HA . 11136 1 784 . 1 1 67 67 LEU HB2 H 1 1.559 0.030 . 2 . . . . 67 LEU HB2 . 11136 1 785 . 1 1 67 67 LEU HB3 H 1 1.667 0.030 . 2 . . . . 67 LEU HB3 . 11136 1 786 . 1 1 67 67 LEU HD11 H 1 0.878 0.030 . 1 . . . . 67 LEU HD1 . 11136 1 787 . 1 1 67 67 LEU HD12 H 1 0.878 0.030 . 1 . . . . 67 LEU HD1 . 11136 1 788 . 1 1 67 67 LEU HD13 H 1 0.878 0.030 . 1 . . . . 67 LEU HD1 . 11136 1 789 . 1 1 67 67 LEU HD21 H 1 0.677 0.030 . 1 . . . . 67 LEU HD2 . 11136 1 790 . 1 1 67 67 LEU HD22 H 1 0.677 0.030 . 1 . . . . 67 LEU HD2 . 11136 1 791 . 1 1 67 67 LEU HD23 H 1 0.677 0.030 . 1 . . . . 67 LEU HD2 . 11136 1 792 . 1 1 67 67 LEU HG H 1 1.665 0.030 . 1 . . . . 67 LEU HG . 11136 1 793 . 1 1 67 67 LEU C C 13 176.771 0.300 . 1 . . . . 67 LEU C . 11136 1 794 . 1 1 67 67 LEU CA C 13 52.853 0.300 . 1 . . . . 67 LEU CA . 11136 1 795 . 1 1 67 67 LEU CB C 13 38.953 0.300 . 1 . . . . 67 LEU CB . 11136 1 796 . 1 1 67 67 LEU CD1 C 13 23.083 0.300 . 2 . . . . 67 LEU CD1 . 11136 1 797 . 1 1 67 67 LEU CD2 C 13 20.241 0.300 . 2 . . . . 67 LEU CD2 . 11136 1 798 . 1 1 67 67 LEU CG C 13 24.693 0.300 . 1 . . . . 67 LEU CG . 11136 1 799 . 1 1 67 67 LEU N N 15 120.068 0.300 . 1 . . . . 67 LEU N . 11136 1 800 . 1 1 68 68 ALA H H 1 9.009 0.030 . 1 . . . . 68 ALA H . 11136 1 801 . 1 1 68 68 ALA HA H 1 3.773 0.030 . 1 . . . . 68 ALA HA . 11136 1 802 . 1 1 68 68 ALA HB1 H 1 1.391 0.030 . 1 . . . . 68 ALA HB . 11136 1 803 . 1 1 68 68 ALA HB2 H 1 1.391 0.030 . 1 . . . . 68 ALA HB . 11136 1 804 . 1 1 68 68 ALA HB3 H 1 1.391 0.030 . 1 . . . . 68 ALA HB . 11136 1 805 . 1 1 68 68 ALA C C 13 177.435 0.300 . 1 . . . . 68 ALA C . 11136 1 806 . 1 1 68 68 ALA CA C 13 53.808 0.300 . 1 . . . . 68 ALA CA . 11136 1 807 . 1 1 68 68 ALA CB C 13 16.037 0.300 . 1 . . . . 68 ALA CB . 11136 1 808 . 1 1 68 68 ALA N N 15 124.989 0.300 . 1 . . . . 68 ALA N . 11136 1 809 . 1 1 69 69 ALA H H 1 8.488 0.030 . 1 . . . . 69 ALA H . 11136 1 810 . 1 1 69 69 ALA HA H 1 4.080 0.030 . 1 . . . . 69 ALA HA . 11136 1 811 . 1 1 69 69 ALA HB1 H 1 1.301 0.030 . 1 . . . . 69 ALA HB . 11136 1 812 . 1 1 69 69 ALA HB2 H 1 1.301 0.030 . 1 . . . . 69 ALA HB . 11136 1 813 . 1 1 69 69 ALA HB3 H 1 1.301 0.030 . 1 . . . . 69 ALA HB . 11136 1 814 . 1 1 69 69 ALA C C 13 176.690 0.300 . 1 . . . . 69 ALA C . 11136 1 815 . 1 1 69 69 ALA CA C 13 52.265 0.300 . 1 . . . . 69 ALA CA . 11136 1 816 . 1 1 69 69 ALA CB C 13 16.161 0.300 . 1 . . . . 69 ALA CB . 11136 1 817 . 1 1 69 69 ALA N N 15 117.128 0.300 . 1 . . . . 69 ALA N . 11136 1 818 . 1 1 70 70 ASN H H 1 7.690 0.030 . 1 . . . . 70 ASN H . 11136 1 819 . 1 1 70 70 ASN HA H 1 4.635 0.030 . 1 . . . . 70 ASN HA . 11136 1 820 . 1 1 70 70 ASN HB2 H 1 3.066 0.030 . 2 . . . . 70 ASN HB2 . 11136 1 821 . 1 1 70 70 ASN HB3 H 1 2.631 0.030 . 2 . . . . 70 ASN HB3 . 11136 1 822 . 1 1 70 70 ASN HD21 H 1 7.200 0.030 . 2 . . . . 70 ASN HD21 . 11136 1 823 . 1 1 70 70 ASN HD22 H 1 7.711 0.030 . 2 . . . . 70 ASN HD22 . 11136 1 824 . 1 1 70 70 ASN C C 13 174.897 0.300 . 1 . . . . 70 ASN C . 11136 1 825 . 1 1 70 70 ASN CA C 13 52.040 0.300 . 1 . . . . 70 ASN CA . 11136 1 826 . 1 1 70 70 ASN CB C 13 36.378 0.300 . 1 . . . . 70 ASN CB . 11136 1 827 . 1 1 70 70 ASN N N 15 115.092 0.300 . 1 . . . . 70 ASN N . 11136 1 828 . 1 1 70 70 ASN ND2 N 15 112.908 0.300 . 1 . . . . 70 ASN ND2 . 11136 1 829 . 1 1 71 71 LEU H H 1 7.705 0.030 . 1 . . . . 71 LEU H . 11136 1 830 . 1 1 71 71 LEU HA H 1 3.661 0.030 . 1 . . . . 71 LEU HA . 11136 1 831 . 1 1 71 71 LEU HB2 H 1 1.794 0.030 . 2 . . . . 71 LEU HB2 . 11136 1 832 . 1 1 71 71 LEU HB3 H 1 1.177 0.030 . 2 . . . . 71 LEU HB3 . 11136 1 833 . 1 1 71 71 LEU HD11 H 1 0.722 0.030 . 1 . . . . 71 LEU HD1 . 11136 1 834 . 1 1 71 71 LEU HD12 H 1 0.722 0.030 . 1 . . . . 71 LEU HD1 . 11136 1 835 . 1 1 71 71 LEU HD13 H 1 0.722 0.030 . 1 . . . . 71 LEU HD1 . 11136 1 836 . 1 1 71 71 LEU HD21 H 1 0.495 0.030 . 1 . . . . 71 LEU HD2 . 11136 1 837 . 1 1 71 71 LEU HD22 H 1 0.495 0.030 . 1 . . . . 71 LEU HD2 . 11136 1 838 . 1 1 71 71 LEU HD23 H 1 0.495 0.030 . 1 . . . . 71 LEU HD2 . 11136 1 839 . 1 1 71 71 LEU HG H 1 1.519 0.030 . 1 . . . . 71 LEU HG . 11136 1 840 . 1 1 71 71 LEU C C 13 176.036 0.300 . 1 . . . . 71 LEU C . 11136 1 841 . 1 1 71 71 LEU CA C 13 56.019 0.300 . 1 . . . . 71 LEU CA . 11136 1 842 . 1 1 71 71 LEU CB C 13 39.562 0.300 . 1 . . . . 71 LEU CB . 11136 1 843 . 1 1 71 71 LEU CD1 C 13 23.624 0.300 . 2 . . . . 71 LEU CD1 . 11136 1 844 . 1 1 71 71 LEU CD2 C 13 20.387 0.300 . 2 . . . . 71 LEU CD2 . 11136 1 845 . 1 1 71 71 LEU CG C 13 23.603 0.300 . 1 . . . . 71 LEU CG . 11136 1 846 . 1 1 71 71 LEU N N 15 119.807 0.300 . 1 . . . . 71 LEU N . 11136 1 847 . 1 1 72 72 ASP H H 1 8.062 0.030 . 1 . . . . 72 ASP H . 11136 1 848 . 1 1 72 72 ASP HA H 1 4.202 0.030 . 1 . . . . 72 ASP HA . 11136 1 849 . 1 1 72 72 ASP HB2 H 1 2.479 0.030 . 2 . . . . 72 ASP HB2 . 11136 1 850 . 1 1 72 72 ASP HB3 H 1 2.545 0.030 . 2 . . . . 72 ASP HB3 . 11136 1 851 . 1 1 72 72 ASP C C 13 177.257 0.300 . 1 . . . . 72 ASP C . 11136 1 852 . 1 1 72 72 ASP CA C 13 55.701 0.300 . 1 . . . . 72 ASP CA . 11136 1 853 . 1 1 72 72 ASP CB C 13 37.707 0.300 . 1 . . . . 72 ASP CB . 11136 1 854 . 1 1 72 72 ASP N N 15 118.516 0.300 . 1 . . . . 72 ASP N . 11136 1 855 . 1 1 73 73 ARG H H 1 7.718 0.030 . 1 . . . . 73 ARG H . 11136 1 856 . 1 1 73 73 ARG HA H 1 3.860 0.030 . 1 . . . . 73 ARG HA . 11136 1 857 . 1 1 73 73 ARG HB2 H 1 1.595 0.030 . 1 . . . . 73 ARG HB2 . 11136 1 858 . 1 1 73 73 ARG HB3 H 1 1.595 0.030 . 1 . . . . 73 ARG HB3 . 11136 1 859 . 1 1 73 73 ARG HD2 H 1 3.175 0.030 . 1 . . . . 73 ARG HD2 . 11136 1 860 . 1 1 73 73 ARG HD3 H 1 3.175 0.030 . 1 . . . . 73 ARG HD3 . 11136 1 861 . 1 1 73 73 ARG HG2 H 1 1.486 0.030 . 2 . . . . 73 ARG HG2 . 11136 1 862 . 1 1 73 73 ARG HG3 H 1 1.607 0.030 . 2 . . . . 73 ARG HG3 . 11136 1 863 . 1 1 73 73 ARG C C 13 176.140 0.300 . 1 . . . . 73 ARG C . 11136 1 864 . 1 1 73 73 ARG CA C 13 56.479 0.300 . 1 . . . . 73 ARG CA . 11136 1 865 . 1 1 73 73 ARG CB C 13 27.701 0.300 . 1 . . . . 73 ARG CB . 11136 1 866 . 1 1 73 73 ARG CD C 13 41.344 0.300 . 1 . . . . 73 ARG CD . 11136 1 867 . 1 1 73 73 ARG CG C 13 25.348 0.300 . 1 . . . . 73 ARG CG . 11136 1 868 . 1 1 73 73 ARG N N 15 119.142 0.300 . 1 . . . . 73 ARG N . 11136 1 869 . 1 1 74 74 ALA H H 1 7.692 0.030 . 1 . . . . 74 ALA H . 11136 1 870 . 1 1 74 74 ALA HA H 1 3.079 0.030 . 1 . . . . 74 ALA HA . 11136 1 871 . 1 1 74 74 ALA HB1 H 1 1.170 0.030 . 1 . . . . 74 ALA HB . 11136 1 872 . 1 1 74 74 ALA HB2 H 1 1.170 0.030 . 1 . . . . 74 ALA HB . 11136 1 873 . 1 1 74 74 ALA HB3 H 1 1.170 0.030 . 1 . . . . 74 ALA HB . 11136 1 874 . 1 1 74 74 ALA C C 13 175.974 0.300 . 1 . . . . 74 ALA C . 11136 1 875 . 1 1 74 74 ALA CA C 13 52.005 0.300 . 1 . . . . 74 ALA CA . 11136 1 876 . 1 1 74 74 ALA CB C 13 17.768 0.300 . 1 . . . . 74 ALA CB . 11136 1 877 . 1 1 74 74 ALA N N 15 122.124 0.300 . 1 . . . . 74 ALA N . 11136 1 878 . 1 1 75 75 LYS H H 1 8.534 0.030 . 1 . . . . 75 LYS H . 11136 1 879 . 1 1 75 75 LYS HA H 1 3.460 0.030 . 1 . . . . 75 LYS HA . 11136 1 880 . 1 1 75 75 LYS HB2 H 1 1.782 0.030 . 2 . . . . 75 LYS HB2 . 11136 1 881 . 1 1 75 75 LYS HB3 H 1 1.543 0.030 . 2 . . . . 75 LYS HB3 . 11136 1 882 . 1 1 75 75 LYS HD2 H 1 1.542 0.030 . 1 . . . . 75 LYS HD2 . 11136 1 883 . 1 1 75 75 LYS HD3 H 1 1.542 0.030 . 1 . . . . 75 LYS HD3 . 11136 1 884 . 1 1 75 75 LYS HE2 H 1 2.837 0.030 . 1 . . . . 75 LYS HE2 . 11136 1 885 . 1 1 75 75 LYS HE3 H 1 2.837 0.030 . 1 . . . . 75 LYS HE3 . 11136 1 886 . 1 1 75 75 LYS HG2 H 1 1.129 0.030 . 2 . . . . 75 LYS HG2 . 11136 1 887 . 1 1 75 75 LYS HG3 H 1 1.243 0.030 . 2 . . . . 75 LYS HG3 . 11136 1 888 . 1 1 75 75 LYS C C 13 174.885 0.300 . 1 . . . . 75 LYS C . 11136 1 889 . 1 1 75 75 LYS CA C 13 57.894 0.300 . 1 . . . . 75 LYS CA . 11136 1 890 . 1 1 75 75 LYS CB C 13 29.879 0.300 . 1 . . . . 75 LYS CB . 11136 1 891 . 1 1 75 75 LYS CD C 13 27.494 0.300 . 1 . . . . 75 LYS CD . 11136 1 892 . 1 1 75 75 LYS CE C 13 39.637 0.300 . 1 . . . . 75 LYS CE . 11136 1 893 . 1 1 75 75 LYS CG C 13 22.714 0.300 . 1 . . . . 75 LYS CG . 11136 1 894 . 1 1 75 75 LYS N N 15 118.227 0.300 . 1 . . . . 75 LYS N . 11136 1 895 . 1 1 76 76 ALA H H 1 7.354 0.030 . 1 . . . . 76 ALA H . 11136 1 896 . 1 1 76 76 ALA HA H 1 3.951 0.030 . 1 . . . . 76 ALA HA . 11136 1 897 . 1 1 76 76 ALA HB1 H 1 1.318 0.030 . 1 . . . . 76 ALA HB . 11136 1 898 . 1 1 76 76 ALA HB2 H 1 1.318 0.030 . 1 . . . . 76 ALA HB . 11136 1 899 . 1 1 76 76 ALA HB3 H 1 1.318 0.030 . 1 . . . . 76 ALA HB . 11136 1 900 . 1 1 76 76 ALA C C 13 178.516 0.300 . 1 . . . . 76 ALA C . 11136 1 901 . 1 1 76 76 ALA CA C 13 52.623 0.300 . 1 . . . . 76 ALA CA . 11136 1 902 . 1 1 76 76 ALA CB C 13 15.502 0.300 . 1 . . . . 76 ALA CB . 11136 1 903 . 1 1 76 76 ALA N N 15 118.446 0.300 . 1 . . . . 76 ALA N . 11136 1 904 . 1 1 77 77 GLY H H 1 7.910 0.030 . 1 . . . . 77 GLY H . 11136 1 905 . 1 1 77 77 GLY HA2 H 1 3.816 0.030 . 2 . . . . 77 GLY HA2 . 11136 1 906 . 1 1 77 77 GLY HA3 H 1 3.546 0.030 . 2 . . . . 77 GLY HA3 . 11136 1 907 . 1 1 77 77 GLY C C 13 174.075 0.300 . 1 . . . . 77 GLY C . 11136 1 908 . 1 1 77 77 GLY CA C 13 44.629 0.300 . 1 . . . . 77 GLY CA . 11136 1 909 . 1 1 77 77 GLY N N 15 105.694 0.300 . 1 . . . . 77 GLY N . 11136 1 910 . 1 1 78 78 LEU H H 1 8.428 0.030 . 1 . . . . 78 LEU H . 11136 1 911 . 1 1 78 78 LEU HA H 1 3.958 0.030 . 1 . . . . 78 LEU HA . 11136 1 912 . 1 1 78 78 LEU HB2 H 1 1.753 0.030 . 2 . . . . 78 LEU HB2 . 11136 1 913 . 1 1 78 78 LEU HB3 H 1 1.407 0.030 . 2 . . . . 78 LEU HB3 . 11136 1 914 . 1 1 78 78 LEU HD11 H 1 0.679 0.030 . 1 . . . . 78 LEU HD1 . 11136 1 915 . 1 1 78 78 LEU HD12 H 1 0.679 0.030 . 1 . . . . 78 LEU HD1 . 11136 1 916 . 1 1 78 78 LEU HD13 H 1 0.679 0.030 . 1 . . . . 78 LEU HD1 . 11136 1 917 . 1 1 78 78 LEU HD21 H 1 0.606 0.030 . 1 . . . . 78 LEU HD2 . 11136 1 918 . 1 1 78 78 LEU HD22 H 1 0.606 0.030 . 1 . . . . 78 LEU HD2 . 11136 1 919 . 1 1 78 78 LEU HD23 H 1 0.606 0.030 . 1 . . . . 78 LEU HD2 . 11136 1 920 . 1 1 78 78 LEU HG H 1 1.334 0.030 . 1 . . . . 78 LEU HG . 11136 1 921 . 1 1 78 78 LEU C C 13 175.702 0.300 . 1 . . . . 78 LEU C . 11136 1 922 . 1 1 78 78 LEU CA C 13 56.073 0.300 . 1 . . . . 78 LEU CA . 11136 1 923 . 1 1 78 78 LEU CB C 13 39.365 0.300 . 1 . . . . 78 LEU CB . 11136 1 924 . 1 1 78 78 LEU CD1 C 13 21.620 0.300 . 2 . . . . 78 LEU CD1 . 11136 1 925 . 1 1 78 78 LEU CD2 C 13 23.951 0.300 . 2 . . . . 78 LEU CD2 . 11136 1 926 . 1 1 78 78 LEU CG C 13 24.943 0.300 . 1 . . . . 78 LEU CG . 11136 1 927 . 1 1 78 78 LEU N N 15 124.300 0.300 . 1 . . . . 78 LEU N . 11136 1 928 . 1 1 79 79 LEU H H 1 8.252 0.030 . 1 . . . . 79 LEU H . 11136 1 929 . 1 1 79 79 LEU HA H 1 3.891 0.030 . 1 . . . . 79 LEU HA . 11136 1 930 . 1 1 79 79 LEU HB2 H 1 1.802 0.030 . 2 . . . . 79 LEU HB2 . 11136 1 931 . 1 1 79 79 LEU HB3 H 1 1.353 0.030 . 2 . . . . 79 LEU HB3 . 11136 1 932 . 1 1 79 79 LEU HD11 H 1 0.781 0.030 . 1 . . . . 79 LEU HD1 . 11136 1 933 . 1 1 79 79 LEU HD12 H 1 0.781 0.030 . 1 . . . . 79 LEU HD1 . 11136 1 934 . 1 1 79 79 LEU HD13 H 1 0.781 0.030 . 1 . . . . 79 LEU HD1 . 11136 1 935 . 1 1 79 79 LEU HD21 H 1 0.730 0.030 . 1 . . . . 79 LEU HD2 . 11136 1 936 . 1 1 79 79 LEU HD22 H 1 0.730 0.030 . 1 . . . . 79 LEU HD2 . 11136 1 937 . 1 1 79 79 LEU HD23 H 1 0.730 0.030 . 1 . . . . 79 LEU HD2 . 11136 1 938 . 1 1 79 79 LEU HG H 1 1.698 0.030 . 1 . . . . 79 LEU HG . 11136 1 939 . 1 1 79 79 LEU C C 13 177.911 0.300 . 1 . . . . 79 LEU C . 11136 1 940 . 1 1 79 79 LEU CA C 13 55.669 0.300 . 1 . . . . 79 LEU CA . 11136 1 941 . 1 1 79 79 LEU CB C 13 38.318 0.300 . 1 . . . . 79 LEU CB . 11136 1 942 . 1 1 79 79 LEU CD1 C 13 23.044 0.300 . 2 . . . . 79 LEU CD1 . 11136 1 943 . 1 1 79 79 LEU CD2 C 13 19.664 0.300 . 2 . . . . 79 LEU CD2 . 11136 1 944 . 1 1 79 79 LEU CG C 13 24.732 0.300 . 1 . . . . 79 LEU CG . 11136 1 945 . 1 1 79 79 LEU N N 15 117.518 0.300 . 1 . . . . 79 LEU N . 11136 1 946 . 1 1 80 80 GLU H H 1 8.100 0.030 . 1 . . . . 80 GLU H . 11136 1 947 . 1 1 80 80 GLU HA H 1 3.978 0.030 . 1 . . . . 80 GLU HA . 11136 1 948 . 1 1 80 80 GLU HB2 H 1 2.085 0.030 . 2 . . . . 80 GLU HB2 . 11136 1 949 . 1 1 80 80 GLU HB3 H 1 2.027 0.030 . 2 . . . . 80 GLU HB3 . 11136 1 950 . 1 1 80 80 GLU HG2 H 1 2.277 0.030 . 2 . . . . 80 GLU HG2 . 11136 1 951 . 1 1 80 80 GLU HG3 H 1 2.227 0.030 . 2 . . . . 80 GLU HG3 . 11136 1 952 . 1 1 80 80 GLU C C 13 176.496 0.300 . 1 . . . . 80 GLU C . 11136 1 953 . 1 1 80 80 GLU CA C 13 57.080 0.300 . 1 . . . . 80 GLU CA . 11136 1 954 . 1 1 80 80 GLU CB C 13 27.083 0.300 . 1 . . . . 80 GLU CB . 11136 1 955 . 1 1 80 80 GLU CG C 13 33.842 0.300 . 1 . . . . 80 GLU CG . 11136 1 956 . 1 1 80 80 GLU N N 15 120.277 0.300 . 1 . . . . 80 GLU N . 11136 1 957 . 1 1 81 81 ARG H H 1 7.635 0.030 . 1 . . . . 81 ARG H . 11136 1 958 . 1 1 81 81 ARG HA H 1 4.150 0.030 . 1 . . . . 81 ARG HA . 11136 1 959 . 1 1 81 81 ARG HB2 H 1 1.922 0.030 . 2 . . . . 81 ARG HB2 . 11136 1 960 . 1 1 81 81 ARG HB3 H 1 2.076 0.030 . 2 . . . . 81 ARG HB3 . 11136 1 961 . 1 1 81 81 ARG HD2 H 1 3.053 0.030 . 2 . . . . 81 ARG HD2 . 11136 1 962 . 1 1 81 81 ARG HD3 H 1 3.439 0.030 . 2 . . . . 81 ARG HD3 . 11136 1 963 . 1 1 81 81 ARG HG2 H 1 1.757 0.030 . 2 . . . . 81 ARG HG2 . 11136 1 964 . 1 1 81 81 ARG HG3 H 1 1.479 0.030 . 2 . . . . 81 ARG HG3 . 11136 1 965 . 1 1 81 81 ARG C C 13 176.261 0.300 . 1 . . . . 81 ARG C . 11136 1 966 . 1 1 81 81 ARG CA C 13 55.443 0.300 . 1 . . . . 81 ARG CA . 11136 1 967 . 1 1 81 81 ARG CB C 13 26.959 0.300 . 1 . . . . 81 ARG CB . 11136 1 968 . 1 1 81 81 ARG CD C 13 40.385 0.300 . 1 . . . . 81 ARG CD . 11136 1 969 . 1 1 81 81 ARG CG C 13 24.442 0.300 . 1 . . . . 81 ARG CG . 11136 1 970 . 1 1 81 81 ARG N N 15 120.137 0.300 . 1 . . . . 81 ARG N . 11136 1 971 . 1 1 82 82 VAL H H 1 8.277 0.030 . 1 . . . . 82 VAL H . 11136 1 972 . 1 1 82 82 VAL HA H 1 3.344 0.030 . 1 . . . . 82 VAL HA . 11136 1 973 . 1 1 82 82 VAL HB H 1 2.162 0.030 . 1 . . . . 82 VAL HB . 11136 1 974 . 1 1 82 82 VAL HG11 H 1 0.841 0.030 . 1 . . . . 82 VAL HG1 . 11136 1 975 . 1 1 82 82 VAL HG12 H 1 0.841 0.030 . 1 . . . . 82 VAL HG1 . 11136 1 976 . 1 1 82 82 VAL HG13 H 1 0.841 0.030 . 1 . . . . 82 VAL HG1 . 11136 1 977 . 1 1 82 82 VAL HG21 H 1 0.941 0.030 . 1 . . . . 82 VAL HG2 . 11136 1 978 . 1 1 82 82 VAL HG22 H 1 0.941 0.030 . 1 . . . . 82 VAL HG2 . 11136 1 979 . 1 1 82 82 VAL HG23 H 1 0.941 0.030 . 1 . . . . 82 VAL HG2 . 11136 1 980 . 1 1 82 82 VAL C C 13 174.732 0.300 . 1 . . . . 82 VAL C . 11136 1 981 . 1 1 82 82 VAL CA C 13 65.040 0.300 . 1 . . . . 82 VAL CA . 11136 1 982 . 1 1 82 82 VAL CB C 13 29.265 0.300 . 1 . . . . 82 VAL CB . 11136 1 983 . 1 1 82 82 VAL CG1 C 13 18.840 0.300 . 2 . . . . 82 VAL CG1 . 11136 1 984 . 1 1 82 82 VAL CG2 C 13 22.110 0.300 . 2 . . . . 82 VAL CG2 . 11136 1 985 . 1 1 82 82 VAL N N 15 118.924 0.300 . 1 . . . . 82 VAL N . 11136 1 986 . 1 1 83 83 LYS H H 1 7.760 0.030 . 1 . . . . 83 LYS H . 11136 1 987 . 1 1 83 83 LYS HA H 1 4.021 0.030 . 1 . . . . 83 LYS HA . 11136 1 988 . 1 1 83 83 LYS HB2 H 1 1.868 0.030 . 1 . . . . 83 LYS HB2 . 11136 1 989 . 1 1 83 83 LYS HB3 H 1 1.868 0.030 . 1 . . . . 83 LYS HB3 . 11136 1 990 . 1 1 83 83 LYS HD2 H 1 1.607 0.030 . 1 . . . . 83 LYS HD2 . 11136 1 991 . 1 1 83 83 LYS HD3 H 1 1.607 0.030 . 1 . . . . 83 LYS HD3 . 11136 1 992 . 1 1 83 83 LYS HE2 H 1 2.861 0.030 . 1 . . . . 83 LYS HE2 . 11136 1 993 . 1 1 83 83 LYS HE3 H 1 2.861 0.030 . 1 . . . . 83 LYS HE3 . 11136 1 994 . 1 1 83 83 LYS HG2 H 1 1.348 0.030 . 2 . . . . 83 LYS HG2 . 11136 1 995 . 1 1 83 83 LYS HG3 H 1 1.523 0.030 . 2 . . . . 83 LYS HG3 . 11136 1 996 . 1 1 83 83 LYS C C 13 177.558 0.300 . 1 . . . . 83 LYS C . 11136 1 997 . 1 1 83 83 LYS CA C 13 57.381 0.300 . 1 . . . . 83 LYS CA . 11136 1 998 . 1 1 83 83 LYS CB C 13 29.773 0.300 . 1 . . . . 83 LYS CB . 11136 1 999 . 1 1 83 83 LYS CD C 13 27.001 0.300 . 1 . . . . 83 LYS CD . 11136 1 1000 . 1 1 83 83 LYS CE C 13 39.613 0.300 . 1 . . . . 83 LYS CE . 11136 1 1001 . 1 1 83 83 LYS CG C 13 22.672 0.300 . 1 . . . . 83 LYS CG . 11136 1 1002 . 1 1 83 83 LYS N N 15 119.184 0.300 . 1 . . . . 83 LYS N . 11136 1 1003 . 1 1 84 84 GLU H H 1 7.788 0.030 . 1 . . . . 84 GLU H . 11136 1 1004 . 1 1 84 84 GLU HA H 1 3.979 0.030 . 1 . . . . 84 GLU HA . 11136 1 1005 . 1 1 84 84 GLU HB2 H 1 2.202 0.030 . 2 . . . . 84 GLU HB2 . 11136 1 1006 . 1 1 84 84 GLU HB3 H 1 2.060 0.030 . 2 . . . . 84 GLU HB3 . 11136 1 1007 . 1 1 84 84 GLU HG2 H 1 2.392 0.030 . 1 . . . . 84 GLU HG2 . 11136 1 1008 . 1 1 84 84 GLU HG3 H 1 2.392 0.030 . 1 . . . . 84 GLU HG3 . 11136 1 1009 . 1 1 84 84 GLU C C 13 177.181 0.300 . 1 . . . . 84 GLU C . 11136 1 1010 . 1 1 84 84 GLU CA C 13 56.922 0.300 . 1 . . . . 84 GLU CA . 11136 1 1011 . 1 1 84 84 GLU CB C 13 27.495 0.300 . 1 . . . . 84 GLU CB . 11136 1 1012 . 1 1 84 84 GLU CG C 13 33.760 0.300 . 1 . . . . 84 GLU CG . 11136 1 1013 . 1 1 84 84 GLU N N 15 119.794 0.300 . 1 . . . . 84 GLU N . 11136 1 1014 . 1 1 85 85 LEU H H 1 8.155 0.030 . 1 . . . . 85 LEU H . 11136 1 1015 . 1 1 85 85 LEU HA H 1 3.933 0.030 . 1 . . . . 85 LEU HA . 11136 1 1016 . 1 1 85 85 LEU HB2 H 1 1.894 0.030 . 2 . . . . 85 LEU HB2 . 11136 1 1017 . 1 1 85 85 LEU HB3 H 1 1.179 0.030 . 2 . . . . 85 LEU HB3 . 11136 1 1018 . 1 1 85 85 LEU HD11 H 1 0.700 0.030 . 1 . . . . 85 LEU HD1 . 11136 1 1019 . 1 1 85 85 LEU HD12 H 1 0.700 0.030 . 1 . . . . 85 LEU HD1 . 11136 1 1020 . 1 1 85 85 LEU HD13 H 1 0.700 0.030 . 1 . . . . 85 LEU HD1 . 11136 1 1021 . 1 1 85 85 LEU HD21 H 1 0.690 0.030 . 1 . . . . 85 LEU HD2 . 11136 1 1022 . 1 1 85 85 LEU HD22 H 1 0.690 0.030 . 1 . . . . 85 LEU HD2 . 11136 1 1023 . 1 1 85 85 LEU HD23 H 1 0.690 0.030 . 1 . . . . 85 LEU HD2 . 11136 1 1024 . 1 1 85 85 LEU HG H 1 1.710 0.030 . 1 . . . . 85 LEU HG . 11136 1 1025 . 1 1 85 85 LEU C C 13 177.520 0.300 . 1 . . . . 85 LEU C . 11136 1 1026 . 1 1 85 85 LEU CA C 13 55.099 0.300 . 1 . . . . 85 LEU CA . 11136 1 1027 . 1 1 85 85 LEU CB C 13 40.231 0.300 . 1 . . . . 85 LEU CB . 11136 1 1028 . 1 1 85 85 LEU CD1 C 13 24.578 0.300 . 2 . . . . 85 LEU CD1 . 11136 1 1029 . 1 1 85 85 LEU CD2 C 13 20.653 0.300 . 2 . . . . 85 LEU CD2 . 11136 1 1030 . 1 1 85 85 LEU CG C 13 24.678 0.300 . 1 . . . . 85 LEU CG . 11136 1 1031 . 1 1 85 85 LEU N N 15 120.218 0.300 . 1 . . . . 85 LEU N . 11136 1 1032 . 1 1 86 86 GLN H H 1 8.504 0.030 . 1 . . . . 86 GLN H . 11136 1 1033 . 1 1 86 86 GLN HA H 1 3.859 0.030 . 1 . . . . 86 GLN HA . 11136 1 1034 . 1 1 86 86 GLN HB2 H 1 2.068 0.030 . 2 . . . . 86 GLN HB2 . 11136 1 1035 . 1 1 86 86 GLN HB3 H 1 1.934 0.030 . 2 . . . . 86 GLN HB3 . 11136 1 1036 . 1 1 86 86 GLN HE21 H 1 6.686 0.030 . 2 . . . . 86 GLN HE21 . 11136 1 1037 . 1 1 86 86 GLN HE22 H 1 7.324 0.030 . 2 . . . . 86 GLN HE22 . 11136 1 1038 . 1 1 86 86 GLN HG2 H 1 2.174 0.030 . 2 . . . . 86 GLN HG2 . 11136 1 1039 . 1 1 86 86 GLN HG3 H 1 2.408 0.030 . 2 . . . . 86 GLN HG3 . 11136 1 1040 . 1 1 86 86 GLN C C 13 175.896 0.300 . 1 . . . . 86 GLN C . 11136 1 1041 . 1 1 86 86 GLN CA C 13 56.532 0.300 . 1 . . . . 86 GLN CA . 11136 1 1042 . 1 1 86 86 GLN CB C 13 26.137 0.300 . 1 . . . . 86 GLN CB . 11136 1 1043 . 1 1 86 86 GLN CG C 13 32.359 0.300 . 1 . . . . 86 GLN CG . 11136 1 1044 . 1 1 86 86 GLN N N 15 119.172 0.300 . 1 . . . . 86 GLN N . 11136 1 1045 . 1 1 86 86 GLN NE2 N 15 110.596 0.300 . 1 . . . . 86 GLN NE2 . 11136 1 1046 . 1 1 87 87 ALA H H 1 7.754 0.030 . 1 . . . . 87 ALA H . 11136 1 1047 . 1 1 87 87 ALA HA H 1 4.095 0.030 . 1 . . . . 87 ALA HA . 11136 1 1048 . 1 1 87 87 ALA HB1 H 1 1.406 0.030 . 1 . . . . 87 ALA HB . 11136 1 1049 . 1 1 87 87 ALA HB2 H 1 1.406 0.030 . 1 . . . . 87 ALA HB . 11136 1 1050 . 1 1 87 87 ALA HB3 H 1 1.406 0.030 . 1 . . . . 87 ALA HB . 11136 1 1051 . 1 1 87 87 ALA C C 13 177.512 0.300 . 1 . . . . 87 ALA C . 11136 1 1052 . 1 1 87 87 ALA CA C 13 52.252 0.300 . 1 . . . . 87 ALA CA . 11136 1 1053 . 1 1 87 87 ALA CB C 13 15.666 0.300 . 1 . . . . 87 ALA CB . 11136 1 1054 . 1 1 87 87 ALA N N 15 121.765 0.300 . 1 . . . . 87 ALA N . 11136 1 1055 . 1 1 88 88 GLU H H 1 7.760 0.030 . 1 . . . . 88 GLU H . 11136 1 1056 . 1 1 88 88 GLU HA H 1 4.031 0.030 . 1 . . . . 88 GLU HA . 11136 1 1057 . 1 1 88 88 GLU HB2 H 1 1.972 0.030 . 1 . . . . 88 GLU HB2 . 11136 1 1058 . 1 1 88 88 GLU HB3 H 1 1.972 0.030 . 1 . . . . 88 GLU HB3 . 11136 1 1059 . 1 1 88 88 GLU HG2 H 1 2.324 0.030 . 2 . . . . 88 GLU HG2 . 11136 1 1060 . 1 1 88 88 GLU HG3 H 1 2.116 0.030 . 2 . . . . 88 GLU HG3 . 11136 1 1061 . 1 1 88 88 GLU C C 13 175.995 0.300 . 1 . . . . 88 GLU C . 11136 1 1062 . 1 1 88 88 GLU CA C 13 56.014 0.300 . 1 . . . . 88 GLU CA . 11136 1 1063 . 1 1 88 88 GLU CB C 13 27.335 0.300 . 1 . . . . 88 GLU CB . 11136 1 1064 . 1 1 88 88 GLU CG C 13 33.976 0.300 . 1 . . . . 88 GLU CG . 11136 1 1065 . 1 1 88 88 GLU N N 15 118.092 0.300 . 1 . . . . 88 GLU N . 11136 1 1066 . 1 1 89 89 GLN H H 1 7.795 0.030 . 1 . . . . 89 GLN H . 11136 1 1067 . 1 1 89 89 GLN HA H 1 3.945 0.030 . 1 . . . . 89 GLN HA . 11136 1 1068 . 1 1 89 89 GLN HB2 H 1 2.049 0.030 . 2 . . . . 89 GLN HB2 . 11136 1 1069 . 1 1 89 89 GLN HB3 H 1 1.969 0.030 . 2 . . . . 89 GLN HB3 . 11136 1 1070 . 1 1 89 89 GLN HE21 H 1 6.472 0.030 . 2 . . . . 89 GLN HE21 . 11136 1 1071 . 1 1 89 89 GLN HE22 H 1 7.323 0.030 . 2 . . . . 89 GLN HE22 . 11136 1 1072 . 1 1 89 89 GLN HG2 H 1 2.263 0.030 . 1 . . . . 89 GLN HG2 . 11136 1 1073 . 1 1 89 89 GLN HG3 H 1 2.263 0.030 . 1 . . . . 89 GLN HG3 . 11136 1 1074 . 1 1 89 89 GLN C C 13 175.495 0.300 . 1 . . . . 89 GLN C . 11136 1 1075 . 1 1 89 89 GLN CA C 13 55.313 0.300 . 1 . . . . 89 GLN CA . 11136 1 1076 . 1 1 89 89 GLN CB C 13 26.211 0.300 . 1 . . . . 89 GLN CB . 11136 1 1077 . 1 1 89 89 GLN CG C 13 31.287 0.300 . 1 . . . . 89 GLN CG . 11136 1 1078 . 1 1 89 89 GLN N N 15 118.141 0.300 . 1 . . . . 89 GLN N . 11136 1 1079 . 1 1 89 89 GLN NE2 N 15 111.158 0.300 . 1 . . . . 89 GLN NE2 . 11136 1 1080 . 1 1 90 90 GLU H H 1 7.997 0.030 . 1 . . . . 90 GLU H . 11136 1 1081 . 1 1 90 90 GLU HA H 1 4.031 0.030 . 1 . . . . 90 GLU HA . 11136 1 1082 . 1 1 90 90 GLU HB2 H 1 1.967 0.030 . 1 . . . . 90 GLU HB2 . 11136 1 1083 . 1 1 90 90 GLU HB3 H 1 1.967 0.030 . 1 . . . . 90 GLU HB3 . 11136 1 1084 . 1 1 90 90 GLU HG2 H 1 2.273 0.030 . 1 . . . . 90 GLU HG2 . 11136 1 1085 . 1 1 90 90 GLU HG3 H 1 2.273 0.030 . 1 . . . . 90 GLU HG3 . 11136 1 1086 . 1 1 90 90 GLU C C 13 175.347 0.300 . 1 . . . . 90 GLU C . 11136 1 1087 . 1 1 90 90 GLU CA C 13 55.949 0.300 . 1 . . . . 90 GLU CA . 11136 1 1088 . 1 1 90 90 GLU CB C 13 27.427 0.300 . 1 . . . . 90 GLU CB . 11136 1 1089 . 1 1 90 90 GLU CG C 13 34.009 0.300 . 1 . . . . 90 GLU CG . 11136 1 1090 . 1 1 90 90 GLU N N 15 120.423 0.300 . 1 . . . . 90 GLU N . 11136 1 1091 . 1 1 91 91 ASP H H 1 8.046 0.030 . 1 . . . . 91 ASP H . 11136 1 1092 . 1 1 91 91 ASP HA H 1 4.391 0.030 . 1 . . . . 91 ASP HA . 11136 1 1093 . 1 1 91 91 ASP HB2 H 1 2.619 0.030 . 1 . . . . 91 ASP HB2 . 11136 1 1094 . 1 1 91 91 ASP HB3 H 1 2.619 0.030 . 1 . . . . 91 ASP HB3 . 11136 1 1095 . 1 1 91 91 ASP C C 13 175.320 0.300 . 1 . . . . 91 ASP C . 11136 1 1096 . 1 1 91 91 ASP CA C 13 53.715 0.300 . 1 . . . . 91 ASP CA . 11136 1 1097 . 1 1 91 91 ASP CB C 13 38.870 0.300 . 1 . . . . 91 ASP CB . 11136 1 1098 . 1 1 91 91 ASP N N 15 119.844 0.300 . 1 . . . . 91 ASP N . 11136 1 1099 . 1 1 92 92 ARG H H 1 8.000 0.030 . 1 . . . . 92 ARG H . 11136 1 1100 . 1 1 92 92 ARG HA H 1 3.956 0.030 . 1 . . . . 92 ARG HA . 11136 1 1101 . 1 1 92 92 ARG HB2 H 1 1.755 0.030 . 1 . . . . 92 ARG HB2 . 11136 1 1102 . 1 1 92 92 ARG HB3 H 1 1.755 0.030 . 1 . . . . 92 ARG HB3 . 11136 1 1103 . 1 1 92 92 ARG HD2 H 1 3.083 0.030 . 2 . . . . 92 ARG HD2 . 11136 1 1104 . 1 1 92 92 ARG HD3 H 1 3.053 0.030 . 2 . . . . 92 ARG HD3 . 11136 1 1105 . 1 1 92 92 ARG HG2 H 1 1.503 0.030 . 2 . . . . 92 ARG HG2 . 11136 1 1106 . 1 1 92 92 ARG HG3 H 1 1.625 0.030 . 2 . . . . 92 ARG HG3 . 11136 1 1107 . 1 1 92 92 ARG C C 13 175.458 0.300 . 1 . . . . 92 ARG C . 11136 1 1108 . 1 1 92 92 ARG CA C 13 55.584 0.300 . 1 . . . . 92 ARG CA . 11136 1 1109 . 1 1 92 92 ARG CB C 13 28.044 0.300 . 1 . . . . 92 ARG CB . 11136 1 1110 . 1 1 92 92 ARG CD C 13 41.052 0.300 . 1 . . . . 92 ARG CD . 11136 1 1111 . 1 1 92 92 ARG CG C 13 25.219 0.300 . 1 . . . . 92 ARG CG . 11136 1 1112 . 1 1 92 92 ARG N N 15 119.512 0.300 . 1 . . . . 92 ARG N . 11136 1 1113 . 1 1 93 93 ALA H H 1 7.947 0.030 . 1 . . . . 93 ALA H . 11136 1 1114 . 1 1 93 93 ALA HA H 1 4.092 0.030 . 1 . . . . 93 ALA HA . 11136 1 1115 . 1 1 93 93 ALA HB1 H 1 1.355 0.030 . 1 . . . . 93 ALA HB . 11136 1 1116 . 1 1 93 93 ALA HB2 H 1 1.355 0.030 . 1 . . . . 93 ALA HB . 11136 1 1117 . 1 1 93 93 ALA HB3 H 1 1.355 0.030 . 1 . . . . 93 ALA HB . 11136 1 1118 . 1 1 93 93 ALA C C 13 176.697 0.300 . 1 . . . . 93 ALA C . 11136 1 1119 . 1 1 93 93 ALA CA C 13 51.517 0.300 . 1 . . . . 93 ALA CA . 11136 1 1120 . 1 1 93 93 ALA CB C 13 16.192 0.300 . 1 . . . . 93 ALA CB . 11136 1 1121 . 1 1 93 93 ALA N N 15 121.982 0.300 . 1 . . . . 93 ALA N . 11136 1 1122 . 1 1 94 94 LEU H H 1 7.832 0.030 . 1 . . . . 94 LEU H . 11136 1 1123 . 1 1 94 94 LEU HA H 1 4.157 0.030 . 1 . . . . 94 LEU HA . 11136 1 1124 . 1 1 94 94 LEU HB2 H 1 1.670 0.030 . 2 . . . . 94 LEU HB2 . 11136 1 1125 . 1 1 94 94 LEU HB3 H 1 1.539 0.030 . 2 . . . . 94 LEU HB3 . 11136 1 1126 . 1 1 94 94 LEU HD11 H 1 0.835 0.030 . 1 . . . . 94 LEU HD1 . 11136 1 1127 . 1 1 94 94 LEU HD12 H 1 0.835 0.030 . 1 . . . . 94 LEU HD1 . 11136 1 1128 . 1 1 94 94 LEU HD13 H 1 0.835 0.030 . 1 . . . . 94 LEU HD1 . 11136 1 1129 . 1 1 94 94 LEU HD21 H 1 0.773 0.030 . 1 . . . . 94 LEU HD2 . 11136 1 1130 . 1 1 94 94 LEU HD22 H 1 0.773 0.030 . 1 . . . . 94 LEU HD2 . 11136 1 1131 . 1 1 94 94 LEU HD23 H 1 0.773 0.030 . 1 . . . . 94 LEU HD2 . 11136 1 1132 . 1 1 94 94 LEU HG H 1 1.592 0.030 . 1 . . . . 94 LEU HG . 11136 1 1133 . 1 1 94 94 LEU C C 13 176.014 0.300 . 1 . . . . 94 LEU C . 11136 1 1134 . 1 1 94 94 LEU CA C 13 53.861 0.300 . 1 . . . . 94 LEU CA . 11136 1 1135 . 1 1 94 94 LEU CB C 13 39.754 0.300 . 1 . . . . 94 LEU CB . 11136 1 1136 . 1 1 94 94 LEU CD1 C 13 22.549 0.300 . 2 . . . . 94 LEU CD1 . 11136 1 1137 . 1 1 94 94 LEU CD2 C 13 21.066 0.300 . 2 . . . . 94 LEU CD2 . 11136 1 1138 . 1 1 94 94 LEU CG C 13 24.610 0.300 . 1 . . . . 94 LEU CG . 11136 1 1139 . 1 1 94 94 LEU N N 15 118.951 0.300 . 1 . . . . 94 LEU N . 11136 1 1140 . 1 1 95 95 ARG H H 1 7.883 0.030 . 1 . . . . 95 ARG H . 11136 1 1141 . 1 1 95 95 ARG HA H 1 4.158 0.030 . 1 . . . . 95 ARG HA . 11136 1 1142 . 1 1 95 95 ARG HB2 H 1 1.744 0.030 . 2 . . . . 95 ARG HB2 . 11136 1 1143 . 1 1 95 95 ARG HB3 H 1 1.684 0.030 . 2 . . . . 95 ARG HB3 . 11136 1 1144 . 1 1 95 95 ARG HD2 H 1 3.061 0.030 . 1 . . . . 95 ARG HD2 . 11136 1 1145 . 1 1 95 95 ARG HD3 H 1 3.061 0.030 . 1 . . . . 95 ARG HD3 . 11136 1 1146 . 1 1 95 95 ARG HG2 H 1 1.552 0.030 . 1 . . . . 95 ARG HG2 . 11136 1 1147 . 1 1 95 95 ARG HG3 H 1 1.552 0.030 . 1 . . . . 95 ARG HG3 . 11136 1 1148 . 1 1 95 95 ARG C C 13 174.418 0.300 . 1 . . . . 95 ARG C . 11136 1 1149 . 1 1 95 95 ARG CA C 13 54.260 0.300 . 1 . . . . 95 ARG CA . 11136 1 1150 . 1 1 95 95 ARG CB C 13 28.154 0.300 . 1 . . . . 95 ARG CB . 11136 1 1151 . 1 1 95 95 ARG CD C 13 41.014 0.300 . 1 . . . . 95 ARG CD . 11136 1 1152 . 1 1 95 95 ARG CG C 13 25.105 0.300 . 1 . . . . 95 ARG CG . 11136 1 1153 . 1 1 95 95 ARG N N 15 118.924 0.300 . 1 . . . . 95 ARG N . 11136 1 1154 . 1 1 96 96 SER H H 1 7.903 0.030 . 1 . . . . 96 SER H . 11136 1 1155 . 1 1 96 96 SER HA H 1 4.279 0.030 . 1 . . . . 96 SER HA . 11136 1 1156 . 1 1 96 96 SER HB2 H 1 3.726 0.030 . 1 . . . . 96 SER HB2 . 11136 1 1157 . 1 1 96 96 SER HB3 H 1 3.726 0.030 . 1 . . . . 96 SER HB3 . 11136 1 1158 . 1 1 96 96 SER C C 13 172.036 0.300 . 1 . . . . 96 SER C . 11136 1 1159 . 1 1 96 96 SER CA C 13 56.373 0.300 . 1 . . . . 96 SER CA . 11136 1 1160 . 1 1 96 96 SER CB C 13 61.293 0.300 . 1 . . . . 96 SER CB . 11136 1 1161 . 1 1 96 96 SER N N 15 114.972 0.300 . 1 . . . . 96 SER N . 11136 1 1162 . 1 1 97 97 PHE H H 1 7.989 0.030 . 1 . . . . 97 PHE H . 11136 1 1163 . 1 1 97 97 PHE HA H 1 4.493 0.030 . 1 . . . . 97 PHE HA . 11136 1 1164 . 1 1 97 97 PHE HB2 H 1 3.056 0.030 . 2 . . . . 97 PHE HB2 . 11136 1 1165 . 1 1 97 97 PHE HB3 H 1 2.981 0.030 . 2 . . . . 97 PHE HB3 . 11136 1 1166 . 1 1 97 97 PHE HD1 H 1 7.149 0.030 . 1 . . . . 97 PHE HD1 . 11136 1 1167 . 1 1 97 97 PHE HD2 H 1 7.149 0.030 . 1 . . . . 97 PHE HD2 . 11136 1 1168 . 1 1 97 97 PHE HE1 H 1 7.234 0.030 . 1 . . . . 97 PHE HE1 . 11136 1 1169 . 1 1 97 97 PHE HE2 H 1 7.234 0.030 . 1 . . . . 97 PHE HE2 . 11136 1 1170 . 1 1 97 97 PHE HZ H 1 7.189 0.030 . 1 . . . . 97 PHE HZ . 11136 1 1171 . 1 1 97 97 PHE C C 13 173.415 0.300 . 1 . . . . 97 PHE C . 11136 1 1172 . 1 1 97 97 PHE CA C 13 55.741 0.300 . 1 . . . . 97 PHE CA . 11136 1 1173 . 1 1 97 97 PHE CB C 13 37.099 0.300 . 1 . . . . 97 PHE CB . 11136 1 1174 . 1 1 97 97 PHE CD1 C 13 129.429 0.300 . 1 . . . . 97 PHE CD1 . 11136 1 1175 . 1 1 97 97 PHE CD2 C 13 129.429 0.300 . 1 . . . . 97 PHE CD2 . 11136 1 1176 . 1 1 97 97 PHE CE1 C 13 129.059 0.300 . 1 . . . . 97 PHE CE1 . 11136 1 1177 . 1 1 97 97 PHE CE2 C 13 129.059 0.300 . 1 . . . . 97 PHE CE2 . 11136 1 1178 . 1 1 97 97 PHE CZ C 13 127.483 0.300 . 1 . . . . 97 PHE CZ . 11136 1 1179 . 1 1 97 97 PHE N N 15 121.654 0.300 . 1 . . . . 97 PHE N . 11136 1 1180 . 1 1 98 98 LYS H H 1 8.058 0.030 . 1 . . . . 98 LYS H . 11136 1 1181 . 1 1 98 98 LYS HA H 1 4.201 0.030 . 1 . . . . 98 LYS HA . 11136 1 1182 . 1 1 98 98 LYS HB2 H 1 1.610 0.030 . 2 . . . . 98 LYS HB2 . 11136 1 1183 . 1 1 98 98 LYS HB3 H 1 1.723 0.030 . 2 . . . . 98 LYS HB3 . 11136 1 1184 . 1 1 98 98 LYS HD2 H 1 1.563 0.030 . 1 . . . . 98 LYS HD2 . 11136 1 1185 . 1 1 98 98 LYS HD3 H 1 1.563 0.030 . 1 . . . . 98 LYS HD3 . 11136 1 1186 . 1 1 98 98 LYS HE2 H 1 2.878 0.030 . 1 . . . . 98 LYS HE2 . 11136 1 1187 . 1 1 98 98 LYS HE3 H 1 2.878 0.030 . 1 . . . . 98 LYS HE3 . 11136 1 1188 . 1 1 98 98 LYS HG2 H 1 1.283 0.030 . 1 . . . . 98 LYS HG2 . 11136 1 1189 . 1 1 98 98 LYS HG3 H 1 1.283 0.030 . 1 . . . . 98 LYS HG3 . 11136 1 1190 . 1 1 98 98 LYS C C 13 173.816 0.300 . 1 . . . . 98 LYS C . 11136 1 1191 . 1 1 98 98 LYS CA C 13 53.989 0.300 . 1 . . . . 98 LYS CA . 11136 1 1192 . 1 1 98 98 LYS CB C 13 30.751 0.300 . 1 . . . . 98 LYS CB . 11136 1 1193 . 1 1 98 98 LYS CD C 13 26.753 0.300 . 1 . . . . 98 LYS CD . 11136 1 1194 . 1 1 98 98 LYS CE C 13 39.860 0.300 . 1 . . . . 98 LYS CE . 11136 1 1195 . 1 1 98 98 LYS CG C 13 22.302 0.300 . 1 . . . . 98 LYS CG . 11136 1 1196 . 1 1 98 98 LYS N N 15 122.454 0.300 . 1 . . . . 98 LYS N . 11136 1 1197 . 1 1 99 99 SER H H 1 8.124 0.030 . 1 . . . . 99 SER H . 11136 1 1198 . 1 1 99 99 SER HA H 1 4.344 0.030 . 1 . . . . 99 SER HA . 11136 1 1199 . 1 1 99 99 SER HB2 H 1 3.773 0.030 . 1 . . . . 99 SER HB2 . 11136 1 1200 . 1 1 99 99 SER HB3 H 1 3.773 0.030 . 1 . . . . 99 SER HB3 . 11136 1 1201 . 1 1 99 99 SER C C 13 172.153 0.300 . 1 . . . . 99 SER C . 11136 1 1202 . 1 1 99 99 SER CA C 13 55.949 0.300 . 1 . . . . 99 SER CA . 11136 1 1203 . 1 1 99 99 SER CB C 13 61.581 0.300 . 1 . . . . 99 SER CB . 11136 1 1204 . 1 1 99 99 SER N N 15 116.584 0.300 . 1 . . . . 99 SER N . 11136 1 1205 . 1 1 100 100 GLY H H 1 8.123 0.030 . 1 . . . . 100 GLY H . 11136 1 1206 . 1 1 100 100 GLY HA2 H 1 4.018 0.030 . 1 . . . . 100 GLY HA2 . 11136 1 1207 . 1 1 100 100 GLY HA3 H 1 4.018 0.030 . 1 . . . . 100 GLY HA3 . 11136 1 1208 . 1 1 100 100 GLY C C 13 169.460 0.300 . 1 . . . . 100 GLY C . 11136 1 1209 . 1 1 100 100 GLY CA C 13 42.259 0.300 . 1 . . . . 100 GLY CA . 11136 1 1210 . 1 1 100 100 GLY N N 15 110.244 0.300 . 1 . . . . 100 GLY N . 11136 1 1211 . 1 1 101 101 PRO HA H 1 4.364 0.030 . 1 . . . . 101 PRO HA . 11136 1 1212 . 1 1 101 101 PRO HB2 H 1 2.192 0.030 . 2 . . . . 101 PRO HB2 . 11136 1 1213 . 1 1 101 101 PRO HB3 H 1 1.898 0.030 . 2 . . . . 101 PRO HB3 . 11136 1 1214 . 1 1 101 101 PRO HD2 H 1 3.526 0.030 . 1 . . . . 101 PRO HD2 . 11136 1 1215 . 1 1 101 101 PRO HD3 H 1 3.526 0.030 . 1 . . . . 101 PRO HD3 . 11136 1 1216 . 1 1 101 101 PRO HG2 H 1 1.911 0.030 . 1 . . . . 101 PRO HG2 . 11136 1 1217 . 1 1 101 101 PRO HG3 H 1 1.911 0.030 . 1 . . . . 101 PRO HG3 . 11136 1 1218 . 1 1 101 101 PRO CA C 13 60.915 0.300 . 1 . . . . 101 PRO CA . 11136 1 1219 . 1 1 101 101 PRO CB C 13 29.835 0.300 . 1 . . . . 101 PRO CB . 11136 1 1220 . 1 1 101 101 PRO CD C 13 47.427 0.300 . 1 . . . . 101 PRO CD . 11136 1 1221 . 1 1 101 101 PRO CG C 13 24.807 0.300 . 1 . . . . 101 PRO CG . 11136 1 1222 . 1 1 103 103 SER HA H 1 4.376 0.030 . 1 . . . . 103 SER HA . 11136 1 1223 . 1 1 103 103 SER HB2 H 1 3.783 0.030 . 2 . . . . 103 SER HB2 . 11136 1 1224 . 1 1 103 103 SER C C 13 171.584 0.300 . 1 . . . . 103 SER C . 11136 1 1225 . 1 1 103 103 SER CA C 13 55.984 0.300 . 1 . . . . 103 SER CA . 11136 1 1226 . 1 1 103 103 SER CB C 13 61.622 0.300 . 1 . . . . 103 SER CB . 11136 1 1227 . 1 1 104 104 GLY H H 1 7.952 0.030 . 1 . . . . 104 GLY H . 11136 1 1228 . 1 1 104 104 GLY HA2 H 1 3.697 0.030 . 2 . . . . 104 GLY HA2 . 11136 1 1229 . 1 1 104 104 GLY HA3 H 1 3.651 0.030 . 2 . . . . 104 GLY HA3 . 11136 1 1230 . 1 1 104 104 GLY C C 13 176.674 0.300 . 1 . . . . 104 GLY C . 11136 1 1231 . 1 1 104 104 GLY CA C 13 43.837 0.300 . 1 . . . . 104 GLY CA . 11136 1 1232 . 1 1 104 104 GLY N N 15 116.464 0.300 . 1 . . . . 104 GLY N . 11136 1 stop_ save_