data_10266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10266 _Entry.Title ; Solution structures of the fn3 domain of human receptor-type tyrosine-protein phosphatase F ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10266 2 S. Koshiba . . . 10266 3 S. Watanabe . . . 10266 4 T. Harada . . . 10266 5 T. Kigawa . . . 10266 6 S. Yokoyama . . . 10266 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 10266 '15N chemical shifts' 103 10266 '1H chemical shifts' 688 10266 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-12-14 2008-12-15 original author . 10266 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EDY 'BMRB Entry Tracking System' 10266 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10266 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structures of the fn3 domain of human receptor-type tyrosine-protein phosphatase F ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Sato . . . 10266 1 2 S. Koshiba . . . 10266 1 3 S. Watanabe . . . 10266 1 4 T. Harada . . . 10266 1 5 T. Kigawa . . . 10266 1 6 S. Yokoyama . . . 10266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10266 _Assembly.ID 1 _Assembly.Name 'Receptor-type tyrosine-protein phosphatase F' _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 E.C.3.1.3.48 _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 'Fibronectin type III domain' 1 $entity_1 . . yes native no no . . . 10266 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2EDY . . . . . . 10266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin type III domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPSGFPQNLHVTGL TTSTTELAWDPPVLAERNGR IISYTVVFRDINSQQELQNI TTDTRFTLTGLKPDTTYDIK VRAWTSKGSGPLSPSIQSRT MPV ; _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 103 _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 2EDY . "Solution Structures Of The Fn3 Domain Of Human Receptor- Type Tyrosine-Protein Phosphatase F" . . . . . 100.00 103 100.00 100.00 1.03e-66 . . . . 10266 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin type III domain' . 10266 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 . 10266 1 2 . SER . 10266 1 3 . SER . 10266 1 4 . GLY . 10266 1 5 . SER . 10266 1 6 . SER . 10266 1 7 . GLY . 10266 1 8 . PRO . 10266 1 9 . SER . 10266 1 10 . GLY . 10266 1 11 . PHE . 10266 1 12 . PRO . 10266 1 13 . GLN . 10266 1 14 . ASN . 10266 1 15 . LEU . 10266 1 16 . HIS . 10266 1 17 . VAL . 10266 1 18 . THR . 10266 1 19 . GLY . 10266 1 20 . LEU . 10266 1 21 . THR . 10266 1 22 . THR . 10266 1 23 . SER . 10266 1 24 . THR . 10266 1 25 . THR . 10266 1 26 . GLU . 10266 1 27 . LEU . 10266 1 28 . ALA . 10266 1 29 . TRP . 10266 1 30 . ASP . 10266 1 31 . PRO . 10266 1 32 . PRO . 10266 1 33 . VAL . 10266 1 34 . LEU . 10266 1 35 . ALA . 10266 1 36 . GLU . 10266 1 37 . ARG . 10266 1 38 . ASN . 10266 1 39 . GLY . 10266 1 40 . ARG . 10266 1 41 . ILE . 10266 1 42 . ILE . 10266 1 43 . SER . 10266 1 44 . TYR . 10266 1 45 . THR . 10266 1 46 . VAL . 10266 1 47 . VAL . 10266 1 48 . PHE . 10266 1 49 . ARG . 10266 1 50 . ASP . 10266 1 51 . ILE . 10266 1 52 . ASN . 10266 1 53 . SER . 10266 1 54 . GLN . 10266 1 55 . GLN . 10266 1 56 . GLU . 10266 1 57 . LEU . 10266 1 58 . GLN . 10266 1 59 . ASN . 10266 1 60 . ILE . 10266 1 61 . THR . 10266 1 62 . THR . 10266 1 63 . ASP . 10266 1 64 . THR . 10266 1 65 . ARG . 10266 1 66 . PHE . 10266 1 67 . THR . 10266 1 68 . LEU . 10266 1 69 . THR . 10266 1 70 . GLY . 10266 1 71 . LEU . 10266 1 72 . LYS . 10266 1 73 . PRO . 10266 1 74 . ASP . 10266 1 75 . THR . 10266 1 76 . THR . 10266 1 77 . TYR . 10266 1 78 . ASP . 10266 1 79 . ILE . 10266 1 80 . LYS . 10266 1 81 . VAL . 10266 1 82 . ARG . 10266 1 83 . ALA . 10266 1 84 . TRP . 10266 1 85 . THR . 10266 1 86 . SER . 10266 1 87 . LYS . 10266 1 88 . GLY . 10266 1 89 . SER . 10266 1 90 . GLY . 10266 1 91 . PRO . 10266 1 92 . LEU . 10266 1 93 . SER . 10266 1 94 . PRO . 10266 1 95 . SER . 10266 1 96 . ILE . 10266 1 97 . GLN . 10266 1 98 . SER . 10266 1 99 . ARG . 10266 1 100 . THR . 10266 1 101 . MET . 10266 1 102 . PRO . 10266 1 103 . VAL . 10266 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 10266 1 . SER 2 2 10266 1 . SER 3 3 10266 1 . GLY 4 4 10266 1 . SER 5 5 10266 1 . SER 6 6 10266 1 . GLY 7 7 10266 1 . PRO 8 8 10266 1 . SER 9 9 10266 1 . GLY 10 10 10266 1 . PHE 11 11 10266 1 . PRO 12 12 10266 1 . GLN 13 13 10266 1 . ASN 14 14 10266 1 . LEU 15 15 10266 1 . HIS 16 16 10266 1 . VAL 17 17 10266 1 . THR 18 18 10266 1 . GLY 19 19 10266 1 . LEU 20 20 10266 1 . THR 21 21 10266 1 . THR 22 22 10266 1 . SER 23 23 10266 1 . THR 24 24 10266 1 . THR 25 25 10266 1 . GLU 26 26 10266 1 . LEU 27 27 10266 1 . ALA 28 28 10266 1 . TRP 29 29 10266 1 . ASP 30 30 10266 1 . PRO 31 31 10266 1 . PRO 32 32 10266 1 . VAL 33 33 10266 1 . LEU 34 34 10266 1 . ALA 35 35 10266 1 . GLU 36 36 10266 1 . ARG 37 37 10266 1 . ASN 38 38 10266 1 . GLY 39 39 10266 1 . ARG 40 40 10266 1 . ILE 41 41 10266 1 . ILE 42 42 10266 1 . SER 43 43 10266 1 . TYR 44 44 10266 1 . THR 45 45 10266 1 . VAL 46 46 10266 1 . VAL 47 47 10266 1 . PHE 48 48 10266 1 . ARG 49 49 10266 1 . ASP 50 50 10266 1 . ILE 51 51 10266 1 . ASN 52 52 10266 1 . SER 53 53 10266 1 . GLN 54 54 10266 1 . GLN 55 55 10266 1 . GLU 56 56 10266 1 . LEU 57 57 10266 1 . GLN 58 58 10266 1 . ASN 59 59 10266 1 . ILE 60 60 10266 1 . THR 61 61 10266 1 . THR 62 62 10266 1 . ASP 63 63 10266 1 . THR 64 64 10266 1 . ARG 65 65 10266 1 . PHE 66 66 10266 1 . THR 67 67 10266 1 . LEU 68 68 10266 1 . THR 69 69 10266 1 . GLY 70 70 10266 1 . LEU 71 71 10266 1 . LYS 72 72 10266 1 . PRO 73 73 10266 1 . ASP 74 74 10266 1 . THR 75 75 10266 1 . THR 76 76 10266 1 . TYR 77 77 10266 1 . ASP 78 78 10266 1 . ILE 79 79 10266 1 . LYS 80 80 10266 1 . VAL 81 81 10266 1 . ARG 82 82 10266 1 . ALA 83 83 10266 1 . TRP 84 84 10266 1 . THR 85 85 10266 1 . SER 86 86 10266 1 . LYS 87 87 10266 1 . GLY 88 88 10266 1 . SER 89 89 10266 1 . GLY 90 90 10266 1 . PRO 91 91 10266 1 . LEU 92 92 10266 1 . SER 93 93 10266 1 . PRO 94 94 10266 1 . SER 95 95 10266 1 . ILE 96 96 10266 1 . GLN 97 97 10266 1 . SER 98 98 10266 1 . ARG 99 99 10266 1 . THR 100 100 10266 1 . MET 101 101 10266 1 . PRO 102 102 10266 1 . VAL 103 103 10266 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 10266 _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 . . . . . . . . . . . . . . . . . . . . . 10266 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 10266 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060123-21 . . . . . . 10266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10266 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10266 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10266 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10266 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10266 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10266 1 6 H2O . . . . . . solvent 90 . . % . . . . 10266 1 7 D2O . . . . . . solvent 10 . . % . . . . 10266 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 10266 _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 10266 1 pH 7.0 0.05 pH 10266 1 pressure 1 0.001 atm 10266 1 temperature 298 0.1 K 10266 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10266 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10266 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10266 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10266 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10266 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10266 _Software.ID 3 _Software.Name NMRView _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10266 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10266 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10266 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10266 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10266 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10266 _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.' . . 10266 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10266 5 'structure solution' 10266 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 10266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10266 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 700 . . . 10266 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 10266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10266 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10266 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 10266 _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 . . . . . . . . . 10266 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10266 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10266 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 10266 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10266 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10266 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 6 6 SER HA H 1 4.535 0.030 . 1 . . . . 6 SER HA . 10266 1 2 . 1 1 6 6 SER HB2 H 1 3.830 0.030 . 1 . . . . 6 SER HB2 . 10266 1 3 . 1 1 6 6 SER HB3 H 1 3.830 0.030 . 1 . . . . 6 SER HB3 . 10266 1 4 . 1 1 6 6 SER CA C 13 58.104 0.300 . 1 . . . . 6 SER CA . 10266 1 5 . 1 1 6 6 SER CB C 13 64.201 0.300 . 1 . . . . 6 SER CB . 10266 1 6 . 1 1 7 7 GLY H H 1 7.998 0.030 . 1 . . . . 7 GLY H . 10266 1 7 . 1 1 7 7 GLY HA2 H 1 3.978 0.030 . 2 . . . . 7 GLY HA2 . 10266 1 8 . 1 1 7 7 GLY HA3 H 1 3.515 0.030 . 2 . . . . 7 GLY HA3 . 10266 1 9 . 1 1 7 7 GLY CA C 13 44.050 0.300 . 1 . . . . 7 GLY CA . 10266 1 10 . 1 1 7 7 GLY N N 15 108.741 0.300 . 1 . . . . 7 GLY N . 10266 1 11 . 1 1 8 8 PRO HA H 1 4.324 0.030 . 1 . . . . 8 PRO HA . 10266 1 12 . 1 1 8 8 PRO HB2 H 1 2.506 0.030 . 2 . . . . 8 PRO HB2 . 10266 1 13 . 1 1 8 8 PRO HB3 H 1 1.888 0.030 . 2 . . . . 8 PRO HB3 . 10266 1 14 . 1 1 8 8 PRO HD2 H 1 3.704 0.030 . 2 . . . . 8 PRO HD2 . 10266 1 15 . 1 1 8 8 PRO HD3 H 1 3.235 0.030 . 2 . . . . 8 PRO HD3 . 10266 1 16 . 1 1 8 8 PRO HG2 H 1 2.117 0.030 . 2 . . . . 8 PRO HG2 . 10266 1 17 . 1 1 8 8 PRO HG3 H 1 1.667 0.030 . 2 . . . . 8 PRO HG3 . 10266 1 18 . 1 1 8 8 PRO CA C 13 63.624 0.300 . 1 . . . . 8 PRO CA . 10266 1 19 . 1 1 8 8 PRO CB C 13 32.235 0.300 . 1 . . . . 8 PRO CB . 10266 1 20 . 1 1 8 8 PRO CD C 13 49.864 0.300 . 1 . . . . 8 PRO CD . 10266 1 21 . 1 1 8 8 PRO CG C 13 26.962 0.300 . 1 . . . . 8 PRO CG . 10266 1 22 . 1 1 9 9 SER H H 1 8.323 0.030 . 1 . . . . 9 SER H . 10266 1 23 . 1 1 9 9 SER HA H 1 4.512 0.030 . 1 . . . . 9 SER HA . 10266 1 24 . 1 1 9 9 SER HB2 H 1 3.954 0.030 . 2 . . . . 9 SER HB2 . 10266 1 25 . 1 1 9 9 SER HB3 H 1 3.729 0.030 . 2 . . . . 9 SER HB3 . 10266 1 26 . 1 1 9 9 SER C C 13 174.410 0.300 . 1 . . . . 9 SER C . 10266 1 27 . 1 1 9 9 SER CA C 13 57.701 0.300 . 1 . . . . 9 SER CA . 10266 1 28 . 1 1 9 9 SER CB C 13 63.909 0.300 . 1 . . . . 9 SER CB . 10266 1 29 . 1 1 9 9 SER N N 15 115.299 0.300 . 1 . . . . 9 SER N . 10266 1 30 . 1 1 10 10 GLY H H 1 7.439 0.030 . 1 . . . . 10 GLY H . 10266 1 31 . 1 1 10 10 GLY HA2 H 1 4.383 0.030 . 2 . . . . 10 GLY HA2 . 10266 1 32 . 1 1 10 10 GLY HA3 H 1 3.951 0.030 . 2 . . . . 10 GLY HA3 . 10266 1 33 . 1 1 10 10 GLY C C 13 172.743 0.300 . 1 . . . . 10 GLY C . 10266 1 34 . 1 1 10 10 GLY CA C 13 43.924 0.300 . 1 . . . . 10 GLY CA . 10266 1 35 . 1 1 10 10 GLY N N 15 107.797 0.300 . 1 . . . . 10 GLY N . 10266 1 36 . 1 1 11 11 PHE H H 1 7.534 0.030 . 1 . . . . 11 PHE H . 10266 1 37 . 1 1 11 11 PHE HA H 1 5.519 0.030 . 1 . . . . 11 PHE HA . 10266 1 38 . 1 1 11 11 PHE HB2 H 1 3.052 0.030 . 2 . . . . 11 PHE HB2 . 10266 1 39 . 1 1 11 11 PHE HB3 H 1 2.790 0.030 . 2 . . . . 11 PHE HB3 . 10266 1 40 . 1 1 11 11 PHE HD1 H 1 7.215 0.030 . 1 . . . . 11 PHE HD1 . 10266 1 41 . 1 1 11 11 PHE HD2 H 1 7.215 0.030 . 1 . . . . 11 PHE HD2 . 10266 1 42 . 1 1 11 11 PHE HE1 H 1 7.435 0.030 . 1 . . . . 11 PHE HE1 . 10266 1 43 . 1 1 11 11 PHE HE2 H 1 7.435 0.030 . 1 . . . . 11 PHE HE2 . 10266 1 44 . 1 1 11 11 PHE C C 13 173.822 0.300 . 1 . . . . 11 PHE C . 10266 1 45 . 1 1 11 11 PHE CA C 13 52.513 0.300 . 1 . . . . 11 PHE CA . 10266 1 46 . 1 1 11 11 PHE CB C 13 38.744 0.300 . 1 . . . . 11 PHE CB . 10266 1 47 . 1 1 11 11 PHE CD1 C 13 133.940 0.300 . 1 . . . . 11 PHE CD1 . 10266 1 48 . 1 1 11 11 PHE CD2 C 13 133.940 0.300 . 1 . . . . 11 PHE CD2 . 10266 1 49 . 1 1 11 11 PHE CE1 C 13 131.967 0.300 . 1 . . . . 11 PHE CE1 . 10266 1 50 . 1 1 11 11 PHE CE2 C 13 131.967 0.300 . 1 . . . . 11 PHE CE2 . 10266 1 51 . 1 1 11 11 PHE N N 15 115.246 0.300 . 1 . . . . 11 PHE N . 10266 1 52 . 1 1 12 12 PRO HA H 1 4.285 0.030 . 1 . . . . 12 PRO HA . 10266 1 53 . 1 1 12 12 PRO HB2 H 1 2.792 0.030 . 2 . . . . 12 PRO HB2 . 10266 1 54 . 1 1 12 12 PRO HB3 H 1 1.541 0.030 . 2 . . . . 12 PRO HB3 . 10266 1 55 . 1 1 12 12 PRO HD2 H 1 4.454 0.030 . 2 . . . . 12 PRO HD2 . 10266 1 56 . 1 1 12 12 PRO HD3 H 1 3.733 0.030 . 2 . . . . 12 PRO HD3 . 10266 1 57 . 1 1 12 12 PRO HG2 H 1 1.806 0.030 . 2 . . . . 12 PRO HG2 . 10266 1 58 . 1 1 12 12 PRO HG3 H 1 1.709 0.030 . 2 . . . . 12 PRO HG3 . 10266 1 59 . 1 1 12 12 PRO C C 13 175.173 0.300 . 1 . . . . 12 PRO C . 10266 1 60 . 1 1 12 12 PRO CA C 13 63.707 0.300 . 1 . . . . 12 PRO CA . 10266 1 61 . 1 1 12 12 PRO CB C 13 32.344 0.300 . 1 . . . . 12 PRO CB . 10266 1 62 . 1 1 12 12 PRO CD C 13 51.060 0.300 . 1 . . . . 12 PRO CD . 10266 1 63 . 1 1 12 12 PRO CG C 13 29.352 0.300 . 1 . . . . 12 PRO CG . 10266 1 64 . 1 1 13 13 GLN H H 1 7.469 0.030 . 1 . . . . 13 GLN H . 10266 1 65 . 1 1 13 13 GLN HA H 1 4.511 0.030 . 1 . . . . 13 GLN HA . 10266 1 66 . 1 1 13 13 GLN HB2 H 1 2.258 0.030 . 2 . . . . 13 GLN HB2 . 10266 1 67 . 1 1 13 13 GLN HB3 H 1 1.754 0.030 . 2 . . . . 13 GLN HB3 . 10266 1 68 . 1 1 13 13 GLN HE21 H 1 7.437 0.030 . 2 . . . . 13 GLN HE21 . 10266 1 69 . 1 1 13 13 GLN HE22 H 1 6.710 0.030 . 2 . . . . 13 GLN HE22 . 10266 1 70 . 1 1 13 13 GLN HG2 H 1 2.441 0.030 . 1 . . . . 13 GLN HG2 . 10266 1 71 . 1 1 13 13 GLN HG3 H 1 2.441 0.030 . 1 . . . . 13 GLN HG3 . 10266 1 72 . 1 1 13 13 GLN C C 13 175.349 0.300 . 1 . . . . 13 GLN C . 10266 1 73 . 1 1 13 13 GLN CA C 13 54.572 0.300 . 1 . . . . 13 GLN CA . 10266 1 74 . 1 1 13 13 GLN CB C 13 32.848 0.300 . 1 . . . . 13 GLN CB . 10266 1 75 . 1 1 13 13 GLN CG C 13 34.130 0.300 . 1 . . . . 13 GLN CG . 10266 1 76 . 1 1 13 13 GLN N N 15 120.555 0.300 . 1 . . . . 13 GLN N . 10266 1 77 . 1 1 13 13 GLN NE2 N 15 115.277 0.300 . 1 . . . . 13 GLN NE2 . 10266 1 78 . 1 1 14 14 ASN H H 1 8.978 0.030 . 1 . . . . 14 ASN H . 10266 1 79 . 1 1 14 14 ASN HA H 1 4.424 0.030 . 1 . . . . 14 ASN HA . 10266 1 80 . 1 1 14 14 ASN HB2 H 1 3.074 0.030 . 2 . . . . 14 ASN HB2 . 10266 1 81 . 1 1 14 14 ASN HB3 H 1 2.780 0.030 . 2 . . . . 14 ASN HB3 . 10266 1 82 . 1 1 14 14 ASN HD21 H 1 8.070 0.030 . 2 . . . . 14 ASN HD21 . 10266 1 83 . 1 1 14 14 ASN HD22 H 1 6.768 0.030 . 2 . . . . 14 ASN HD22 . 10266 1 84 . 1 1 14 14 ASN C C 13 174.770 0.300 . 1 . . . . 14 ASN C . 10266 1 85 . 1 1 14 14 ASN CA C 13 54.079 0.300 . 1 . . . . 14 ASN CA . 10266 1 86 . 1 1 14 14 ASN CB C 13 37.343 0.300 . 1 . . . . 14 ASN CB . 10266 1 87 . 1 1 14 14 ASN N N 15 114.024 0.300 . 1 . . . . 14 ASN N . 10266 1 88 . 1 1 14 14 ASN ND2 N 15 114.771 0.300 . 1 . . . . 14 ASN ND2 . 10266 1 89 . 1 1 15 15 LEU H H 1 8.437 0.030 . 1 . . . . 15 LEU H . 10266 1 90 . 1 1 15 15 LEU HA H 1 5.062 0.030 . 1 . . . . 15 LEU HA . 10266 1 91 . 1 1 15 15 LEU HB2 H 1 2.057 0.030 . 2 . . . . 15 LEU HB2 . 10266 1 92 . 1 1 15 15 LEU HB3 H 1 1.233 0.030 . 2 . . . . 15 LEU HB3 . 10266 1 93 . 1 1 15 15 LEU HD11 H 1 0.928 0.030 . 1 . . . . 15 LEU HD1 . 10266 1 94 . 1 1 15 15 LEU HD12 H 1 0.928 0.030 . 1 . . . . 15 LEU HD1 . 10266 1 95 . 1 1 15 15 LEU HD13 H 1 0.928 0.030 . 1 . . . . 15 LEU HD1 . 10266 1 96 . 1 1 15 15 LEU HD21 H 1 0.797 0.030 . 1 . . . . 15 LEU HD2 . 10266 1 97 . 1 1 15 15 LEU HD22 H 1 0.797 0.030 . 1 . . . . 15 LEU HD2 . 10266 1 98 . 1 1 15 15 LEU HD23 H 1 0.797 0.030 . 1 . . . . 15 LEU HD2 . 10266 1 99 . 1 1 15 15 LEU HG H 1 1.467 0.030 . 1 . . . . 15 LEU HG . 10266 1 100 . 1 1 15 15 LEU C C 13 177.001 0.300 . 1 . . . . 15 LEU C . 10266 1 101 . 1 1 15 15 LEU CA C 13 56.667 0.300 . 1 . . . . 15 LEU CA . 10266 1 102 . 1 1 15 15 LEU CB C 13 41.720 0.300 . 1 . . . . 15 LEU CB . 10266 1 103 . 1 1 15 15 LEU CD1 C 13 24.286 0.300 . 2 . . . . 15 LEU CD1 . 10266 1 104 . 1 1 15 15 LEU CD2 C 13 27.209 0.300 . 2 . . . . 15 LEU CD2 . 10266 1 105 . 1 1 15 15 LEU CG C 13 27.262 0.300 . 1 . . . . 15 LEU CG . 10266 1 106 . 1 1 15 15 LEU N N 15 121.843 0.300 . 1 . . . . 15 LEU N . 10266 1 107 . 1 1 16 16 HIS H H 1 9.492 0.030 . 1 . . . . 16 HIS H . 10266 1 108 . 1 1 16 16 HIS HA H 1 4.987 0.030 . 1 . . . . 16 HIS HA . 10266 1 109 . 1 1 16 16 HIS HB2 H 1 3.253 0.030 . 2 . . . . 16 HIS HB2 . 10266 1 110 . 1 1 16 16 HIS HB3 H 1 3.207 0.030 . 2 . . . . 16 HIS HB3 . 10266 1 111 . 1 1 16 16 HIS HD2 H 1 6.878 0.030 . 1 . . . . 16 HIS HD2 . 10266 1 112 . 1 1 16 16 HIS HE1 H 1 8.378 0.030 . 1 . . . . 16 HIS HE1 . 10266 1 113 . 1 1 16 16 HIS C C 13 171.333 0.300 . 1 . . . . 16 HIS C . 10266 1 114 . 1 1 16 16 HIS CA C 13 55.153 0.300 . 1 . . . . 16 HIS CA . 10266 1 115 . 1 1 16 16 HIS CB C 13 30.515 0.300 . 1 . . . . 16 HIS CB . 10266 1 116 . 1 1 16 16 HIS CD2 C 13 122.426 0.300 . 1 . . . . 16 HIS CD2 . 10266 1 117 . 1 1 16 16 HIS CE1 C 13 137.401 0.300 . 1 . . . . 16 HIS CE1 . 10266 1 118 . 1 1 16 16 HIS N N 15 121.636 0.300 . 1 . . . . 16 HIS N . 10266 1 119 . 1 1 17 17 VAL H H 1 8.606 0.030 . 1 . . . . 17 VAL H . 10266 1 120 . 1 1 17 17 VAL HA H 1 4.663 0.030 . 1 . . . . 17 VAL HA . 10266 1 121 . 1 1 17 17 VAL HB H 1 1.958 0.030 . 1 . . . . 17 VAL HB . 10266 1 122 . 1 1 17 17 VAL HG11 H 1 1.065 0.030 . 1 . . . . 17 VAL HG1 . 10266 1 123 . 1 1 17 17 VAL HG12 H 1 1.065 0.030 . 1 . . . . 17 VAL HG1 . 10266 1 124 . 1 1 17 17 VAL HG13 H 1 1.065 0.030 . 1 . . . . 17 VAL HG1 . 10266 1 125 . 1 1 17 17 VAL HG21 H 1 0.918 0.030 . 1 . . . . 17 VAL HG2 . 10266 1 126 . 1 1 17 17 VAL HG22 H 1 0.918 0.030 . 1 . . . . 17 VAL HG2 . 10266 1 127 . 1 1 17 17 VAL HG23 H 1 0.918 0.030 . 1 . . . . 17 VAL HG2 . 10266 1 128 . 1 1 17 17 VAL C C 13 177.740 0.300 . 1 . . . . 17 VAL C . 10266 1 129 . 1 1 17 17 VAL CA C 13 61.771 0.300 . 1 . . . . 17 VAL CA . 10266 1 130 . 1 1 17 17 VAL CB C 13 33.476 0.300 . 1 . . . . 17 VAL CB . 10266 1 131 . 1 1 17 17 VAL CG1 C 13 22.067 0.300 . 2 . . . . 17 VAL CG1 . 10266 1 132 . 1 1 17 17 VAL CG2 C 13 21.837 0.300 . 2 . . . . 17 VAL CG2 . 10266 1 133 . 1 1 17 17 VAL N N 15 120.868 0.300 . 1 . . . . 17 VAL N . 10266 1 134 . 1 1 18 18 THR H H 1 9.022 0.030 . 1 . . . . 18 THR H . 10266 1 135 . 1 1 18 18 THR HA H 1 4.516 0.030 . 1 . . . . 18 THR HA . 10266 1 136 . 1 1 18 18 THR HB H 1 4.310 0.030 . 1 . . . . 18 THR HB . 10266 1 137 . 1 1 18 18 THR HG21 H 1 0.900 0.030 . 1 . . . . 18 THR HG2 . 10266 1 138 . 1 1 18 18 THR HG22 H 1 0.900 0.030 . 1 . . . . 18 THR HG2 . 10266 1 139 . 1 1 18 18 THR HG23 H 1 0.900 0.030 . 1 . . . . 18 THR HG2 . 10266 1 140 . 1 1 18 18 THR C C 13 174.913 0.300 . 1 . . . . 18 THR C . 10266 1 141 . 1 1 18 18 THR CA C 13 61.472 0.300 . 1 . . . . 18 THR CA . 10266 1 142 . 1 1 18 18 THR CB C 13 68.725 0.300 . 1 . . . . 18 THR CB . 10266 1 143 . 1 1 18 18 THR CG2 C 13 23.019 0.300 . 1 . . . . 18 THR CG2 . 10266 1 144 . 1 1 18 18 THR N N 15 117.096 0.300 . 1 . . . . 18 THR N . 10266 1 145 . 1 1 19 19 GLY H H 1 7.443 0.030 . 1 . . . . 19 GLY H . 10266 1 146 . 1 1 19 19 GLY HA2 H 1 4.177 0.030 . 2 . . . . 19 GLY HA2 . 10266 1 147 . 1 1 19 19 GLY HA3 H 1 3.909 0.030 . 2 . . . . 19 GLY HA3 . 10266 1 148 . 1 1 19 19 GLY C C 13 170.720 0.300 . 1 . . . . 19 GLY C . 10266 1 149 . 1 1 19 19 GLY CA C 13 45.877 0.300 . 1 . . . . 19 GLY CA . 10266 1 150 . 1 1 19 19 GLY N N 15 111.594 0.300 . 1 . . . . 19 GLY N . 10266 1 151 . 1 1 20 20 LEU H H 1 8.400 0.030 . 1 . . . . 20 LEU H . 10266 1 152 . 1 1 20 20 LEU HA H 1 4.803 0.030 . 1 . . . . 20 LEU HA . 10266 1 153 . 1 1 20 20 LEU HB2 H 1 1.871 0.030 . 2 . . . . 20 LEU HB2 . 10266 1 154 . 1 1 20 20 LEU HB3 H 1 1.665 0.030 . 2 . . . . 20 LEU HB3 . 10266 1 155 . 1 1 20 20 LEU HD11 H 1 0.981 0.030 . 1 . . . . 20 LEU HD1 . 10266 1 156 . 1 1 20 20 LEU HD12 H 1 0.981 0.030 . 1 . . . . 20 LEU HD1 . 10266 1 157 . 1 1 20 20 LEU HD13 H 1 0.981 0.030 . 1 . . . . 20 LEU HD1 . 10266 1 158 . 1 1 20 20 LEU HD21 H 1 1.000 0.030 . 1 . . . . 20 LEU HD2 . 10266 1 159 . 1 1 20 20 LEU HD22 H 1 1.000 0.030 . 1 . . . . 20 LEU HD2 . 10266 1 160 . 1 1 20 20 LEU HD23 H 1 1.000 0.030 . 1 . . . . 20 LEU HD2 . 10266 1 161 . 1 1 20 20 LEU HG H 1 1.597 0.030 . 1 . . . . 20 LEU HG . 10266 1 162 . 1 1 20 20 LEU C C 13 175.350 0.300 . 1 . . . . 20 LEU C . 10266 1 163 . 1 1 20 20 LEU CA C 13 55.557 0.300 . 1 . . . . 20 LEU CA . 10266 1 164 . 1 1 20 20 LEU CB C 13 46.554 0.300 . 1 . . . . 20 LEU CB . 10266 1 165 . 1 1 20 20 LEU CD1 C 13 26.221 0.300 . 2 . . . . 20 LEU CD1 . 10266 1 166 . 1 1 20 20 LEU CD2 C 13 25.813 0.300 . 2 . . . . 20 LEU CD2 . 10266 1 167 . 1 1 20 20 LEU CG C 13 26.357 0.300 . 1 . . . . 20 LEU CG . 10266 1 168 . 1 1 20 20 LEU N N 15 121.661 0.300 . 1 . . . . 20 LEU N . 10266 1 169 . 1 1 21 21 THR H H 1 7.720 0.030 . 1 . . . . 21 THR H . 10266 1 170 . 1 1 21 21 THR HA H 1 4.900 0.030 . 1 . . . . 21 THR HA . 10266 1 171 . 1 1 21 21 THR HB H 1 4.706 0.030 . 1 . . . . 21 THR HB . 10266 1 172 . 1 1 21 21 THR HG21 H 1 1.104 0.030 . 1 . . . . 21 THR HG2 . 10266 1 173 . 1 1 21 21 THR HG22 H 1 1.104 0.030 . 1 . . . . 21 THR HG2 . 10266 1 174 . 1 1 21 21 THR HG23 H 1 1.104 0.030 . 1 . . . . 21 THR HG2 . 10266 1 175 . 1 1 21 21 THR C C 13 174.986 0.300 . 1 . . . . 21 THR C . 10266 1 176 . 1 1 21 21 THR CA C 13 61.049 0.300 . 1 . . . . 21 THR CA . 10266 1 177 . 1 1 21 21 THR CB C 13 71.081 0.300 . 1 . . . . 21 THR CB . 10266 1 178 . 1 1 21 21 THR CG2 C 13 21.034 0.300 . 1 . . . . 21 THR CG2 . 10266 1 179 . 1 1 21 21 THR N N 15 112.043 0.300 . 1 . . . . 21 THR N . 10266 1 180 . 1 1 22 22 THR H H 1 7.782 0.030 . 1 . . . . 22 THR H . 10266 1 181 . 1 1 22 22 THR HA H 1 4.657 0.030 . 1 . . . . 22 THR HA . 10266 1 182 . 1 1 22 22 THR HB H 1 4.105 0.030 . 1 . . . . 22 THR HB . 10266 1 183 . 1 1 22 22 THR HG21 H 1 1.156 0.030 . 1 . . . . 22 THR HG2 . 10266 1 184 . 1 1 22 22 THR HG22 H 1 1.156 0.030 . 1 . . . . 22 THR HG2 . 10266 1 185 . 1 1 22 22 THR HG23 H 1 1.156 0.030 . 1 . . . . 22 THR HG2 . 10266 1 186 . 1 1 22 22 THR C C 13 174.110 0.300 . 1 . . . . 22 THR C . 10266 1 187 . 1 1 22 22 THR CA C 13 63.654 0.300 . 1 . . . . 22 THR CA . 10266 1 188 . 1 1 22 22 THR CB C 13 69.834 0.300 . 1 . . . . 22 THR CB . 10266 1 189 . 1 1 22 22 THR CG2 C 13 22.580 0.300 . 1 . . . . 22 THR CG2 . 10266 1 190 . 1 1 22 22 THR N N 15 110.558 0.300 . 1 . . . . 22 THR N . 10266 1 191 . 1 1 23 23 SER H H 1 7.289 0.030 . 1 . . . . 23 SER H . 10266 1 192 . 1 1 23 23 SER HA H 1 4.717 0.030 . 1 . . . . 23 SER HA . 10266 1 193 . 1 1 23 23 SER HB2 H 1 4.105 0.030 . 2 . . . . 23 SER HB2 . 10266 1 194 . 1 1 23 23 SER HB3 H 1 3.537 0.030 . 2 . . . . 23 SER HB3 . 10266 1 195 . 1 1 23 23 SER C C 13 173.680 0.300 . 1 . . . . 23 SER C . 10266 1 196 . 1 1 23 23 SER CA C 13 57.212 0.300 . 1 . . . . 23 SER CA . 10266 1 197 . 1 1 23 23 SER CB C 13 66.012 0.300 . 1 . . . . 23 SER CB . 10266 1 198 . 1 1 23 23 SER N N 15 107.116 0.300 . 1 . . . . 23 SER N . 10266 1 199 . 1 1 24 24 THR H H 1 7.174 0.030 . 1 . . . . 24 THR H . 10266 1 200 . 1 1 24 24 THR HA H 1 5.377 0.030 . 1 . . . . 24 THR HA . 10266 1 201 . 1 1 24 24 THR HB H 1 3.946 0.030 . 1 . . . . 24 THR HB . 10266 1 202 . 1 1 24 24 THR HG21 H 1 1.007 0.030 . 1 . . . . 24 THR HG2 . 10266 1 203 . 1 1 24 24 THR HG22 H 1 1.007 0.030 . 1 . . . . 24 THR HG2 . 10266 1 204 . 1 1 24 24 THR HG23 H 1 1.007 0.030 . 1 . . . . 24 THR HG2 . 10266 1 205 . 1 1 24 24 THR C C 13 176.427 0.300 . 1 . . . . 24 THR C . 10266 1 206 . 1 1 24 24 THR CA C 13 58.656 0.300 . 1 . . . . 24 THR CA . 10266 1 207 . 1 1 24 24 THR CB C 13 73.018 0.300 . 1 . . . . 24 THR CB . 10266 1 208 . 1 1 24 24 THR CG2 C 13 21.845 0.300 . 1 . . . . 24 THR CG2 . 10266 1 209 . 1 1 24 24 THR N N 15 111.053 0.300 . 1 . . . . 24 THR N . 10266 1 210 . 1 1 25 25 THR H H 1 8.180 0.030 . 1 . . . . 25 THR H . 10266 1 211 . 1 1 25 25 THR HA H 1 4.608 0.030 . 1 . . . . 25 THR HA . 10266 1 212 . 1 1 25 25 THR HB H 1 3.605 0.030 . 1 . . . . 25 THR HB . 10266 1 213 . 1 1 25 25 THR HG21 H 1 1.065 0.030 . 1 . . . . 25 THR HG2 . 10266 1 214 . 1 1 25 25 THR HG22 H 1 1.065 0.030 . 1 . . . . 25 THR HG2 . 10266 1 215 . 1 1 25 25 THR HG23 H 1 1.065 0.030 . 1 . . . . 25 THR HG2 . 10266 1 216 . 1 1 25 25 THR C C 13 170.451 0.300 . 1 . . . . 25 THR C . 10266 1 217 . 1 1 25 25 THR CA C 13 63.619 0.300 . 1 . . . . 25 THR CA . 10266 1 218 . 1 1 25 25 THR CB C 13 75.464 0.300 . 1 . . . . 25 THR CB . 10266 1 219 . 1 1 25 25 THR CG2 C 13 21.861 0.300 . 1 . . . . 25 THR CG2 . 10266 1 220 . 1 1 25 25 THR N N 15 117.664 0.300 . 1 . . . . 25 THR N . 10266 1 221 . 1 1 26 26 GLU H H 1 9.197 0.030 . 1 . . . . 26 GLU H . 10266 1 222 . 1 1 26 26 GLU HA H 1 4.706 0.030 . 1 . . . . 26 GLU HA . 10266 1 223 . 1 1 26 26 GLU HB2 H 1 1.813 0.030 . 2 . . . . 26 GLU HB2 . 10266 1 224 . 1 1 26 26 GLU HB3 H 1 1.728 0.030 . 2 . . . . 26 GLU HB3 . 10266 1 225 . 1 1 26 26 GLU HG2 H 1 2.102 0.030 . 2 . . . . 26 GLU HG2 . 10266 1 226 . 1 1 26 26 GLU HG3 H 1 1.979 0.030 . 2 . . . . 26 GLU HG3 . 10266 1 227 . 1 1 26 26 GLU C C 13 174.626 0.300 . 1 . . . . 26 GLU C . 10266 1 228 . 1 1 26 26 GLU CA C 13 55.751 0.300 . 1 . . . . 26 GLU CA . 10266 1 229 . 1 1 26 26 GLU CB C 13 30.917 0.300 . 1 . . . . 26 GLU CB . 10266 1 230 . 1 1 26 26 GLU CG C 13 36.123 0.300 . 1 . . . . 26 GLU CG . 10266 1 231 . 1 1 26 26 GLU N N 15 130.706 0.300 . 1 . . . . 26 GLU N . 10266 1 232 . 1 1 27 27 LEU H H 1 9.001 0.030 . 1 . . . . 27 LEU H . 10266 1 233 . 1 1 27 27 LEU HA H 1 5.273 0.030 . 1 . . . . 27 LEU HA . 10266 1 234 . 1 1 27 27 LEU HB2 H 1 2.111 0.030 . 2 . . . . 27 LEU HB2 . 10266 1 235 . 1 1 27 27 LEU HB3 H 1 1.523 0.030 . 2 . . . . 27 LEU HB3 . 10266 1 236 . 1 1 27 27 LEU HD11 H 1 0.860 0.030 . 1 . . . . 27 LEU HD1 . 10266 1 237 . 1 1 27 27 LEU HD12 H 1 0.860 0.030 . 1 . . . . 27 LEU HD1 . 10266 1 238 . 1 1 27 27 LEU HD13 H 1 0.860 0.030 . 1 . . . . 27 LEU HD1 . 10266 1 239 . 1 1 27 27 LEU HD21 H 1 0.816 0.030 . 1 . . . . 27 LEU HD2 . 10266 1 240 . 1 1 27 27 LEU HD22 H 1 0.816 0.030 . 1 . . . . 27 LEU HD2 . 10266 1 241 . 1 1 27 27 LEU HD23 H 1 0.816 0.030 . 1 . . . . 27 LEU HD2 . 10266 1 242 . 1 1 27 27 LEU HG H 1 1.700 0.030 . 1 . . . . 27 LEU HG . 10266 1 243 . 1 1 27 27 LEU C C 13 176.770 0.300 . 1 . . . . 27 LEU C . 10266 1 244 . 1 1 27 27 LEU CA C 13 53.165 0.300 . 1 . . . . 27 LEU CA . 10266 1 245 . 1 1 27 27 LEU CB C 13 47.693 0.300 . 1 . . . . 27 LEU CB . 10266 1 246 . 1 1 27 27 LEU CD1 C 13 27.229 0.300 . 2 . . . . 27 LEU CD1 . 10266 1 247 . 1 1 27 27 LEU CD2 C 13 24.532 0.300 . 2 . . . . 27 LEU CD2 . 10266 1 248 . 1 1 27 27 LEU CG C 13 26.957 0.300 . 1 . . . . 27 LEU CG . 10266 1 249 . 1 1 27 27 LEU N N 15 124.564 0.300 . 1 . . . . 27 LEU N . 10266 1 250 . 1 1 28 28 ALA H H 1 8.640 0.030 . 1 . . . . 28 ALA H . 10266 1 251 . 1 1 28 28 ALA HA H 1 4.577 0.030 . 1 . . . . 28 ALA HA . 10266 1 252 . 1 1 28 28 ALA HB1 H 1 0.906 0.030 . 1 . . . . 28 ALA HB . 10266 1 253 . 1 1 28 28 ALA HB2 H 1 0.906 0.030 . 1 . . . . 28 ALA HB . 10266 1 254 . 1 1 28 28 ALA HB3 H 1 0.906 0.030 . 1 . . . . 28 ALA HB . 10266 1 255 . 1 1 28 28 ALA C C 13 174.523 0.300 . 1 . . . . 28 ALA C . 10266 1 256 . 1 1 28 28 ALA CA C 13 51.404 0.300 . 1 . . . . 28 ALA CA . 10266 1 257 . 1 1 28 28 ALA CB C 13 23.304 0.300 . 1 . . . . 28 ALA CB . 10266 1 258 . 1 1 28 28 ALA N N 15 122.531 0.300 . 1 . . . . 28 ALA N . 10266 1 259 . 1 1 29 29 TRP H H 1 7.581 0.030 . 1 . . . . 29 TRP H . 10266 1 260 . 1 1 29 29 TRP HA H 1 4.868 0.030 . 1 . . . . 29 TRP HA . 10266 1 261 . 1 1 29 29 TRP HB2 H 1 3.324 0.030 . 2 . . . . 29 TRP HB2 . 10266 1 262 . 1 1 29 29 TRP HB3 H 1 3.074 0.030 . 2 . . . . 29 TRP HB3 . 10266 1 263 . 1 1 29 29 TRP HD1 H 1 6.460 0.030 . 1 . . . . 29 TRP HD1 . 10266 1 264 . 1 1 29 29 TRP HE1 H 1 5.502 0.030 . 1 . . . . 29 TRP HE1 . 10266 1 265 . 1 1 29 29 TRP HE3 H 1 6.768 0.030 . 1 . . . . 29 TRP HE3 . 10266 1 266 . 1 1 29 29 TRP HH2 H 1 6.391 0.030 . 1 . . . . 29 TRP HH2 . 10266 1 267 . 1 1 29 29 TRP HZ2 H 1 6.908 0.030 . 1 . . . . 29 TRP HZ2 . 10266 1 268 . 1 1 29 29 TRP HZ3 H 1 6.439 0.030 . 1 . . . . 29 TRP HZ3 . 10266 1 269 . 1 1 29 29 TRP C C 13 172.280 0.300 . 1 . . . . 29 TRP C . 10266 1 270 . 1 1 29 29 TRP CA C 13 56.948 0.300 . 1 . . . . 29 TRP CA . 10266 1 271 . 1 1 29 29 TRP CB C 13 29.667 0.300 . 1 . . . . 29 TRP CB . 10266 1 272 . 1 1 29 29 TRP CD1 C 13 125.062 0.300 . 1 . . . . 29 TRP CD1 . 10266 1 273 . 1 1 29 29 TRP CE3 C 13 119.532 0.300 . 1 . . . . 29 TRP CE3 . 10266 1 274 . 1 1 29 29 TRP CH2 C 13 123.345 0.300 . 1 . . . . 29 TRP CH2 . 10266 1 275 . 1 1 29 29 TRP CZ2 C 13 114.967 0.300 . 1 . . . . 29 TRP CZ2 . 10266 1 276 . 1 1 29 29 TRP CZ3 C 13 120.045 0.300 . 1 . . . . 29 TRP CZ3 . 10266 1 277 . 1 1 29 29 TRP N N 15 115.551 0.300 . 1 . . . . 29 TRP N . 10266 1 278 . 1 1 29 29 TRP NE1 N 15 123.477 0.300 . 1 . . . . 29 TRP NE1 . 10266 1 279 . 1 1 30 30 ASP H H 1 9.276 0.030 . 1 . . . . 30 ASP H . 10266 1 280 . 1 1 30 30 ASP HA H 1 5.443 0.030 . 1 . . . . 30 ASP HA . 10266 1 281 . 1 1 30 30 ASP HB2 H 1 2.822 0.030 . 2 . . . . 30 ASP HB2 . 10266 1 282 . 1 1 30 30 ASP HB3 H 1 2.288 0.030 . 2 . . . . 30 ASP HB3 . 10266 1 283 . 1 1 30 30 ASP C C 13 173.846 0.300 . 1 . . . . 30 ASP C . 10266 1 284 . 1 1 30 30 ASP CA C 13 51.562 0.300 . 1 . . . . 30 ASP CA . 10266 1 285 . 1 1 30 30 ASP CB C 13 42.533 0.300 . 1 . . . . 30 ASP CB . 10266 1 286 . 1 1 30 30 ASP N N 15 117.265 0.300 . 1 . . . . 30 ASP N . 10266 1 287 . 1 1 31 31 PRO HA H 1 5.105 0.030 . 1 . . . . 31 PRO HA . 10266 1 288 . 1 1 31 31 PRO HB2 H 1 2.566 0.030 . 2 . . . . 31 PRO HB2 . 10266 1 289 . 1 1 31 31 PRO HB3 H 1 1.898 0.030 . 2 . . . . 31 PRO HB3 . 10266 1 290 . 1 1 31 31 PRO HD2 H 1 3.927 0.030 . 2 . . . . 31 PRO HD2 . 10266 1 291 . 1 1 31 31 PRO HD3 H 1 3.636 0.030 . 2 . . . . 31 PRO HD3 . 10266 1 292 . 1 1 31 31 PRO HG2 H 1 2.104 0.030 . 1 . . . . 31 PRO HG2 . 10266 1 293 . 1 1 31 31 PRO HG3 H 1 2.104 0.030 . 1 . . . . 31 PRO HG3 . 10266 1 294 . 1 1 31 31 PRO CA C 13 61.905 0.300 . 1 . . . . 31 PRO CA . 10266 1 295 . 1 1 31 31 PRO CB C 13 29.864 0.300 . 1 . . . . 31 PRO CB . 10266 1 296 . 1 1 31 31 PRO CD C 13 50.266 0.300 . 1 . . . . 31 PRO CD . 10266 1 297 . 1 1 31 31 PRO CG C 13 28.043 0.300 . 1 . . . . 31 PRO CG . 10266 1 298 . 1 1 32 32 PRO HA H 1 4.580 0.030 . 1 . . . . 32 PRO HA . 10266 1 299 . 1 1 32 32 PRO HB2 H 1 1.928 0.030 . 2 . . . . 32 PRO HB2 . 10266 1 300 . 1 1 32 32 PRO HB3 H 1 1.468 0.030 . 2 . . . . 32 PRO HB3 . 10266 1 301 . 1 1 32 32 PRO HD2 H 1 3.844 0.030 . 2 . . . . 32 PRO HD2 . 10266 1 302 . 1 1 32 32 PRO HD3 H 1 3.518 0.030 . 2 . . . . 32 PRO HD3 . 10266 1 303 . 1 1 32 32 PRO HG2 H 1 1.729 0.030 . 2 . . . . 32 PRO HG2 . 10266 1 304 . 1 1 32 32 PRO HG3 H 1 1.516 0.030 . 2 . . . . 32 PRO HG3 . 10266 1 305 . 1 1 32 32 PRO CA C 13 62.036 0.300 . 1 . . . . 32 PRO CA . 10266 1 306 . 1 1 32 32 PRO CB C 13 30.840 0.300 . 1 . . . . 32 PRO CB . 10266 1 307 . 1 1 32 32 PRO CD C 13 50.345 0.300 . 1 . . . . 32 PRO CD . 10266 1 308 . 1 1 32 32 PRO CG C 13 28.307 0.300 . 1 . . . . 32 PRO CG . 10266 1 309 . 1 1 33 33 VAL H H 1 8.755 0.030 . 1 . . . . 33 VAL H . 10266 1 310 . 1 1 33 33 VAL HA H 1 3.994 0.030 . 1 . . . . 33 VAL HA . 10266 1 311 . 1 1 33 33 VAL HB H 1 2.113 0.030 . 1 . . . . 33 VAL HB . 10266 1 312 . 1 1 33 33 VAL HG11 H 1 0.954 0.030 . 1 . . . . 33 VAL HG1 . 10266 1 313 . 1 1 33 33 VAL HG12 H 1 0.954 0.030 . 1 . . . . 33 VAL HG1 . 10266 1 314 . 1 1 33 33 VAL HG13 H 1 0.954 0.030 . 1 . . . . 33 VAL HG1 . 10266 1 315 . 1 1 33 33 VAL HG21 H 1 0.826 0.030 . 1 . . . . 33 VAL HG2 . 10266 1 316 . 1 1 33 33 VAL HG22 H 1 0.826 0.030 . 1 . . . . 33 VAL HG2 . 10266 1 317 . 1 1 33 33 VAL HG23 H 1 0.826 0.030 . 1 . . . . 33 VAL HG2 . 10266 1 318 . 1 1 33 33 VAL CA C 13 62.553 0.300 . 1 . . . . 33 VAL CA . 10266 1 319 . 1 1 33 33 VAL CB C 13 31.763 0.300 . 1 . . . . 33 VAL CB . 10266 1 320 . 1 1 33 33 VAL CG1 C 13 21.519 0.300 . 2 . . . . 33 VAL CG1 . 10266 1 321 . 1 1 33 33 VAL CG2 C 13 19.837 0.300 . 2 . . . . 33 VAL CG2 . 10266 1 322 . 1 1 33 33 VAL N N 15 120.113 0.300 . 1 . . . . 33 VAL N . 10266 1 323 . 1 1 34 34 LEU H H 1 8.469 0.030 . 1 . . . . 34 LEU H . 10266 1 324 . 1 1 34 34 LEU HA H 1 3.768 0.030 . 1 . . . . 34 LEU HA . 10266 1 325 . 1 1 34 34 LEU HB2 H 1 1.682 0.030 . 2 . . . . 34 LEU HB2 . 10266 1 326 . 1 1 34 34 LEU HB3 H 1 1.598 0.030 . 2 . . . . 34 LEU HB3 . 10266 1 327 . 1 1 34 34 LEU HD11 H 1 0.909 0.030 . 1 . . . . 34 LEU HD1 . 10266 1 328 . 1 1 34 34 LEU HD12 H 1 0.909 0.030 . 1 . . . . 34 LEU HD1 . 10266 1 329 . 1 1 34 34 LEU HD13 H 1 0.909 0.030 . 1 . . . . 34 LEU HD1 . 10266 1 330 . 1 1 34 34 LEU HD21 H 1 0.871 0.030 . 1 . . . . 34 LEU HD2 . 10266 1 331 . 1 1 34 34 LEU HD22 H 1 0.871 0.030 . 1 . . . . 34 LEU HD2 . 10266 1 332 . 1 1 34 34 LEU HD23 H 1 0.871 0.030 . 1 . . . . 34 LEU HD2 . 10266 1 333 . 1 1 34 34 LEU HG H 1 1.566 0.030 . 1 . . . . 34 LEU HG . 10266 1 334 . 1 1 34 34 LEU CA C 13 58.809 0.300 . 1 . . . . 34 LEU CA . 10266 1 335 . 1 1 34 34 LEU CB C 13 42.426 0.300 . 1 . . . . 34 LEU CB . 10266 1 336 . 1 1 34 34 LEU CD1 C 13 24.425 0.300 . 2 . . . . 34 LEU CD1 . 10266 1 337 . 1 1 34 34 LEU CD2 C 13 24.790 0.300 . 2 . . . . 34 LEU CD2 . 10266 1 338 . 1 1 34 34 LEU CG C 13 27.053 0.300 . 1 . . . . 34 LEU CG . 10266 1 339 . 1 1 34 34 LEU N N 15 125.095 0.300 . 1 . . . . 34 LEU N . 10266 1 340 . 1 1 35 35 ALA H H 1 8.586 0.030 . 1 . . . . 35 ALA H . 10266 1 341 . 1 1 35 35 ALA HA H 1 4.171 0.030 . 1 . . . . 35 ALA HA . 10266 1 342 . 1 1 35 35 ALA HB1 H 1 1.388 0.030 . 1 . . . . 35 ALA HB . 10266 1 343 . 1 1 35 35 ALA HB2 H 1 1.388 0.030 . 1 . . . . 35 ALA HB . 10266 1 344 . 1 1 35 35 ALA HB3 H 1 1.388 0.030 . 1 . . . . 35 ALA HB . 10266 1 345 . 1 1 35 35 ALA CA C 13 53.957 0.300 . 1 . . . . 35 ALA CA . 10266 1 346 . 1 1 35 35 ALA CB C 13 19.056 0.300 . 1 . . . . 35 ALA CB . 10266 1 347 . 1 1 35 35 ALA N N 15 119.010 0.300 . 1 . . . . 35 ALA N . 10266 1 348 . 1 1 36 36 GLU H H 1 8.070 0.030 . 1 . . . . 36 GLU H . 10266 1 349 . 1 1 36 36 GLU HA H 1 4.305 0.030 . 1 . . . . 36 GLU HA . 10266 1 350 . 1 1 36 36 GLU HB2 H 1 1.644 0.030 . 1 . . . . 36 GLU HB2 . 10266 1 351 . 1 1 36 36 GLU HB3 H 1 1.644 0.030 . 1 . . . . 36 GLU HB3 . 10266 1 352 . 1 1 36 36 GLU HG2 H 1 1.983 0.030 . 2 . . . . 36 GLU HG2 . 10266 1 353 . 1 1 36 36 GLU HG3 H 1 1.929 0.030 . 2 . . . . 36 GLU HG3 . 10266 1 354 . 1 1 36 36 GLU CA C 13 55.527 0.300 . 1 . . . . 36 GLU CA . 10266 1 355 . 1 1 36 36 GLU CB C 13 29.845 0.300 . 1 . . . . 36 GLU CB . 10266 1 356 . 1 1 36 36 GLU CG C 13 36.102 0.300 . 1 . . . . 36 GLU CG . 10266 1 357 . 1 1 36 36 GLU N N 15 115.604 0.300 . 1 . . . . 36 GLU N . 10266 1 358 . 1 1 37 37 ARG HA H 1 3.758 0.030 . 1 . . . . 37 ARG HA . 10266 1 359 . 1 1 37 37 ARG HB2 H 1 2.217 0.030 . 2 . . . . 37 ARG HB2 . 10266 1 360 . 1 1 37 37 ARG HB3 H 1 1.874 0.030 . 2 . . . . 37 ARG HB3 . 10266 1 361 . 1 1 37 37 ARG HD2 H 1 3.384 0.030 . 2 . . . . 37 ARG HD2 . 10266 1 362 . 1 1 37 37 ARG HD3 H 1 3.165 0.030 . 2 . . . . 37 ARG HD3 . 10266 1 363 . 1 1 37 37 ARG HG2 H 1 1.972 0.030 . 2 . . . . 37 ARG HG2 . 10266 1 364 . 1 1 37 37 ARG HG3 H 1 1.252 0.030 . 2 . . . . 37 ARG HG3 . 10266 1 365 . 1 1 37 37 ARG CA C 13 60.050 0.300 . 1 . . . . 37 ARG CA . 10266 1 366 . 1 1 37 37 ARG CB C 13 30.804 0.300 . 1 . . . . 37 ARG CB . 10266 1 367 . 1 1 37 37 ARG CD C 13 44.261 0.300 . 1 . . . . 37 ARG CD . 10266 1 368 . 1 1 37 37 ARG CG C 13 28.646 0.300 . 1 . . . . 37 ARG CG . 10266 1 369 . 1 1 37 37 ARG N N 15 122.198 0.300 . 1 . . . . 37 ARG N . 10266 1 370 . 1 1 38 38 ASN H H 1 8.093 0.030 . 1 . . . . 38 ASN H . 10266 1 371 . 1 1 38 38 ASN HA H 1 4.291 0.030 . 1 . . . . 38 ASN HA . 10266 1 372 . 1 1 38 38 ASN HB2 H 1 2.899 0.030 . 2 . . . . 38 ASN HB2 . 10266 1 373 . 1 1 38 38 ASN HB3 H 1 2.581 0.030 . 2 . . . . 38 ASN HB3 . 10266 1 374 . 1 1 38 38 ASN HD21 H 1 7.295 0.030 . 2 . . . . 38 ASN HD21 . 10266 1 375 . 1 1 38 38 ASN HD22 H 1 6.746 0.030 . 2 . . . . 38 ASN HD22 . 10266 1 376 . 1 1 38 38 ASN C C 13 174.619 0.300 . 1 . . . . 38 ASN C . 10266 1 377 . 1 1 38 38 ASN CA C 13 53.287 0.300 . 1 . . . . 38 ASN CA . 10266 1 378 . 1 1 38 38 ASN CB C 13 37.482 0.300 . 1 . . . . 38 ASN CB . 10266 1 379 . 1 1 38 38 ASN N N 15 109.319 0.300 . 1 . . . . 38 ASN N . 10266 1 380 . 1 1 38 38 ASN ND2 N 15 112.228 0.300 . 1 . . . . 38 ASN ND2 . 10266 1 381 . 1 1 39 39 GLY H H 1 7.575 0.030 . 1 . . . . 39 GLY H . 10266 1 382 . 1 1 39 39 GLY HA2 H 1 4.320 0.030 . 2 . . . . 39 GLY HA2 . 10266 1 383 . 1 1 39 39 GLY HA3 H 1 3.697 0.030 . 2 . . . . 39 GLY HA3 . 10266 1 384 . 1 1 39 39 GLY C C 13 172.138 0.300 . 1 . . . . 39 GLY C . 10266 1 385 . 1 1 39 39 GLY CA C 13 43.766 0.300 . 1 . . . . 39 GLY CA . 10266 1 386 . 1 1 39 39 GLY N N 15 105.607 0.300 . 1 . . . . 39 GLY N . 10266 1 387 . 1 1 40 40 ARG H H 1 8.180 0.030 . 1 . . . . 40 ARG H . 10266 1 388 . 1 1 40 40 ARG HA H 1 4.333 0.030 . 1 . . . . 40 ARG HA . 10266 1 389 . 1 1 40 40 ARG HB2 H 1 1.720 0.030 . 1 . . . . 40 ARG HB2 . 10266 1 390 . 1 1 40 40 ARG HB3 H 1 1.720 0.030 . 1 . . . . 40 ARG HB3 . 10266 1 391 . 1 1 40 40 ARG HD2 H 1 3.216 0.030 . 2 . . . . 40 ARG HD2 . 10266 1 392 . 1 1 40 40 ARG HD3 H 1 3.187 0.030 . 2 . . . . 40 ARG HD3 . 10266 1 393 . 1 1 40 40 ARG HG2 H 1 1.640 0.030 . 2 . . . . 40 ARG HG2 . 10266 1 394 . 1 1 40 40 ARG HG3 H 1 1.442 0.030 . 2 . . . . 40 ARG HG3 . 10266 1 395 . 1 1 40 40 ARG C C 13 176.395 0.300 . 1 . . . . 40 ARG C . 10266 1 396 . 1 1 40 40 ARG CA C 13 55.453 0.300 . 1 . . . . 40 ARG CA . 10266 1 397 . 1 1 40 40 ARG CB C 13 30.999 0.300 . 1 . . . . 40 ARG CB . 10266 1 398 . 1 1 40 40 ARG CD C 13 43.453 0.300 . 1 . . . . 40 ARG CD . 10266 1 399 . 1 1 40 40 ARG CG C 13 27.335 0.300 . 1 . . . . 40 ARG CG . 10266 1 400 . 1 1 40 40 ARG N N 15 119.566 0.300 . 1 . . . . 40 ARG N . 10266 1 401 . 1 1 41 41 ILE H H 1 8.991 0.030 . 1 . . . . 41 ILE H . 10266 1 402 . 1 1 41 41 ILE HA H 1 4.256 0.030 . 1 . . . . 41 ILE HA . 10266 1 403 . 1 1 41 41 ILE HB H 1 2.102 0.030 . 1 . . . . 41 ILE HB . 10266 1 404 . 1 1 41 41 ILE HD11 H 1 0.688 0.030 . 1 . . . . 41 ILE HD1 . 10266 1 405 . 1 1 41 41 ILE HD12 H 1 0.688 0.030 . 1 . . . . 41 ILE HD1 . 10266 1 406 . 1 1 41 41 ILE HD13 H 1 0.688 0.030 . 1 . . . . 41 ILE HD1 . 10266 1 407 . 1 1 41 41 ILE HG12 H 1 1.703 0.030 . 2 . . . . 41 ILE HG12 . 10266 1 408 . 1 1 41 41 ILE HG13 H 1 1.320 0.030 . 2 . . . . 41 ILE HG13 . 10266 1 409 . 1 1 41 41 ILE HG21 H 1 0.767 0.030 . 1 . . . . 41 ILE HG2 . 10266 1 410 . 1 1 41 41 ILE HG22 H 1 0.767 0.030 . 1 . . . . 41 ILE HG2 . 10266 1 411 . 1 1 41 41 ILE HG23 H 1 0.767 0.030 . 1 . . . . 41 ILE HG2 . 10266 1 412 . 1 1 41 41 ILE CA C 13 59.279 0.300 . 1 . . . . 41 ILE CA . 10266 1 413 . 1 1 41 41 ILE CB C 13 35.329 0.300 . 1 . . . . 41 ILE CB . 10266 1 414 . 1 1 41 41 ILE CD1 C 13 10.511 0.300 . 1 . . . . 41 ILE CD1 . 10266 1 415 . 1 1 41 41 ILE CG1 C 13 27.310 0.300 . 1 . . . . 41 ILE CG1 . 10266 1 416 . 1 1 41 41 ILE CG2 C 13 18.171 0.300 . 1 . . . . 41 ILE CG2 . 10266 1 417 . 1 1 41 41 ILE N N 15 127.226 0.300 . 1 . . . . 41 ILE N . 10266 1 418 . 1 1 42 42 ILE H H 1 8.721 0.030 . 1 . . . . 42 ILE H . 10266 1 419 . 1 1 42 42 ILE HA H 1 4.475 0.030 . 1 . . . . 42 ILE HA . 10266 1 420 . 1 1 42 42 ILE HB H 1 1.886 0.030 . 1 . . . . 42 ILE HB . 10266 1 421 . 1 1 42 42 ILE HD11 H 1 0.676 0.030 . 1 . . . . 42 ILE HD1 . 10266 1 422 . 1 1 42 42 ILE HD12 H 1 0.676 0.030 . 1 . . . . 42 ILE HD1 . 10266 1 423 . 1 1 42 42 ILE HD13 H 1 0.676 0.030 . 1 . . . . 42 ILE HD1 . 10266 1 424 . 1 1 42 42 ILE HG12 H 1 1.278 0.030 . 2 . . . . 42 ILE HG12 . 10266 1 425 . 1 1 42 42 ILE HG13 H 1 0.792 0.030 . 2 . . . . 42 ILE HG13 . 10266 1 426 . 1 1 42 42 ILE HG21 H 1 0.876 0.030 . 1 . . . . 42 ILE HG2 . 10266 1 427 . 1 1 42 42 ILE HG22 H 1 0.876 0.030 . 1 . . . . 42 ILE HG2 . 10266 1 428 . 1 1 42 42 ILE HG23 H 1 0.876 0.030 . 1 . . . . 42 ILE HG2 . 10266 1 429 . 1 1 42 42 ILE C C 13 175.959 0.300 . 1 . . . . 42 ILE C . 10266 1 430 . 1 1 42 42 ILE CA C 13 61.208 0.300 . 1 . . . . 42 ILE CA . 10266 1 431 . 1 1 42 42 ILE CB C 13 39.771 0.300 . 1 . . . . 42 ILE CB . 10266 1 432 . 1 1 42 42 ILE CD1 C 13 13.432 0.300 . 1 . . . . 42 ILE CD1 . 10266 1 433 . 1 1 42 42 ILE CG1 C 13 26.137 0.300 . 1 . . . . 42 ILE CG1 . 10266 1 434 . 1 1 42 42 ILE CG2 C 13 18.013 0.300 . 1 . . . . 42 ILE CG2 . 10266 1 435 . 1 1 42 42 ILE N N 15 122.018 0.300 . 1 . . . . 42 ILE N . 10266 1 436 . 1 1 43 43 SER H H 1 7.425 0.030 . 1 . . . . 43 SER H . 10266 1 437 . 1 1 43 43 SER HA H 1 4.555 0.030 . 1 . . . . 43 SER HA . 10266 1 438 . 1 1 43 43 SER HB2 H 1 3.600 0.030 . 1 . . . . 43 SER HB2 . 10266 1 439 . 1 1 43 43 SER HB3 H 1 3.600 0.030 . 1 . . . . 43 SER HB3 . 10266 1 440 . 1 1 43 43 SER C C 13 170.232 0.300 . 1 . . . . 43 SER C . 10266 1 441 . 1 1 43 43 SER CA C 13 58.234 0.300 . 1 . . . . 43 SER CA . 10266 1 442 . 1 1 43 43 SER CB C 13 64.287 0.300 . 1 . . . . 43 SER CB . 10266 1 443 . 1 1 43 43 SER N N 15 113.043 0.300 . 1 . . . . 43 SER N . 10266 1 444 . 1 1 44 44 TYR H H 1 9.297 0.030 . 1 . . . . 44 TYR H . 10266 1 445 . 1 1 44 44 TYR HA H 1 5.741 0.030 . 1 . . . . 44 TYR HA . 10266 1 446 . 1 1 44 44 TYR HB2 H 1 2.909 0.030 . 2 . . . . 44 TYR HB2 . 10266 1 447 . 1 1 44 44 TYR HB3 H 1 2.750 0.030 . 2 . . . . 44 TYR HB3 . 10266 1 448 . 1 1 44 44 TYR HD1 H 1 6.857 0.030 . 3 . . . . 44 TYR HD1 . 10266 1 449 . 1 1 44 44 TYR HD2 H 1 7.368 0.030 . 3 . . . . 44 TYR HD2 . 10266 1 450 . 1 1 44 44 TYR HE1 H 1 6.569 0.030 . 3 . . . . 44 TYR HE1 . 10266 1 451 . 1 1 44 44 TYR HE2 H 1 6.648 0.030 . 3 . . . . 44 TYR HE2 . 10266 1 452 . 1 1 44 44 TYR C C 13 175.735 0.300 . 1 . . . . 44 TYR C . 10266 1 453 . 1 1 44 44 TYR CA C 13 57.137 0.300 . 1 . . . . 44 TYR CA . 10266 1 454 . 1 1 44 44 TYR CB C 13 42.410 0.300 . 1 . . . . 44 TYR CB . 10266 1 455 . 1 1 44 44 TYR CD1 C 13 132.701 0.300 . 3 . . . . 44 TYR CD1 . 10266 1 456 . 1 1 44 44 TYR CD2 C 13 136.873 0.300 . 3 . . . . 44 TYR CD2 . 10266 1 457 . 1 1 44 44 TYR CE1 C 13 116.370 0.300 . 3 . . . . 44 TYR CE1 . 10266 1 458 . 1 1 44 44 TYR CE2 C 13 118.542 0.300 . 3 . . . . 44 TYR CE2 . 10266 1 459 . 1 1 44 44 TYR N N 15 116.157 0.300 . 1 . . . . 44 TYR N . 10266 1 460 . 1 1 45 45 THR H H 1 8.778 0.030 . 1 . . . . 45 THR H . 10266 1 461 . 1 1 45 45 THR HA H 1 5.094 0.030 . 1 . . . . 45 THR HA . 10266 1 462 . 1 1 45 45 THR HB H 1 3.886 0.030 . 1 . . . . 45 THR HB . 10266 1 463 . 1 1 45 45 THR HG21 H 1 1.179 0.030 . 1 . . . . 45 THR HG2 . 10266 1 464 . 1 1 45 45 THR HG22 H 1 1.179 0.030 . 1 . . . . 45 THR HG2 . 10266 1 465 . 1 1 45 45 THR HG23 H 1 1.179 0.030 . 1 . . . . 45 THR HG2 . 10266 1 466 . 1 1 45 45 THR C C 13 173.026 0.300 . 1 . . . . 45 THR C . 10266 1 467 . 1 1 45 45 THR CA C 13 61.853 0.300 . 1 . . . . 45 THR CA . 10266 1 468 . 1 1 45 45 THR CB C 13 71.072 0.300 . 1 . . . . 45 THR CB . 10266 1 469 . 1 1 45 45 THR CG2 C 13 22.808 0.300 . 1 . . . . 45 THR CG2 . 10266 1 470 . 1 1 45 45 THR N N 15 114.801 0.300 . 1 . . . . 45 THR N . 10266 1 471 . 1 1 46 46 VAL H H 1 9.145 0.030 . 1 . . . . 46 VAL H . 10266 1 472 . 1 1 46 46 VAL HA H 1 4.244 0.030 . 1 . . . . 46 VAL HA . 10266 1 473 . 1 1 46 46 VAL HB H 1 1.588 0.030 . 1 . . . . 46 VAL HB . 10266 1 474 . 1 1 46 46 VAL HG11 H 1 0.685 0.030 . 1 . . . . 46 VAL HG1 . 10266 1 475 . 1 1 46 46 VAL HG12 H 1 0.685 0.030 . 1 . . . . 46 VAL HG1 . 10266 1 476 . 1 1 46 46 VAL HG13 H 1 0.685 0.030 . 1 . . . . 46 VAL HG1 . 10266 1 477 . 1 1 46 46 VAL HG21 H 1 0.427 0.030 . 1 . . . . 46 VAL HG2 . 10266 1 478 . 1 1 46 46 VAL HG22 H 1 0.427 0.030 . 1 . . . . 46 VAL HG2 . 10266 1 479 . 1 1 46 46 VAL HG23 H 1 0.427 0.030 . 1 . . . . 46 VAL HG2 . 10266 1 480 . 1 1 46 46 VAL C C 13 174.278 0.300 . 1 . . . . 46 VAL C . 10266 1 481 . 1 1 46 46 VAL CA C 13 61.137 0.300 . 1 . . . . 46 VAL CA . 10266 1 482 . 1 1 46 46 VAL CB C 13 32.999 0.300 . 1 . . . . 46 VAL CB . 10266 1 483 . 1 1 46 46 VAL CG1 C 13 21.696 0.300 . 2 . . . . 46 VAL CG1 . 10266 1 484 . 1 1 46 46 VAL CG2 C 13 21.127 0.300 . 2 . . . . 46 VAL CG2 . 10266 1 485 . 1 1 46 46 VAL N N 15 127.180 0.300 . 1 . . . . 46 VAL N . 10266 1 486 . 1 1 47 47 VAL H H 1 9.041 0.030 . 1 . . . . 47 VAL H . 10266 1 487 . 1 1 47 47 VAL HA H 1 5.004 0.030 . 1 . . . . 47 VAL HA . 10266 1 488 . 1 1 47 47 VAL HB H 1 1.722 0.030 . 1 . . . . 47 VAL HB . 10266 1 489 . 1 1 47 47 VAL HG11 H 1 0.792 0.030 . 1 . . . . 47 VAL HG1 . 10266 1 490 . 1 1 47 47 VAL HG12 H 1 0.792 0.030 . 1 . . . . 47 VAL HG1 . 10266 1 491 . 1 1 47 47 VAL HG13 H 1 0.792 0.030 . 1 . . . . 47 VAL HG1 . 10266 1 492 . 1 1 47 47 VAL HG21 H 1 0.787 0.030 . 1 . . . . 47 VAL HG2 . 10266 1 493 . 1 1 47 47 VAL HG22 H 1 0.787 0.030 . 1 . . . . 47 VAL HG2 . 10266 1 494 . 1 1 47 47 VAL HG23 H 1 0.787 0.030 . 1 . . . . 47 VAL HG2 . 10266 1 495 . 1 1 47 47 VAL C C 13 175.023 0.300 . 1 . . . . 47 VAL C . 10266 1 496 . 1 1 47 47 VAL CA C 13 60.996 0.300 . 1 . . . . 47 VAL CA . 10266 1 497 . 1 1 47 47 VAL CB C 13 33.488 0.300 . 1 . . . . 47 VAL CB . 10266 1 498 . 1 1 47 47 VAL CG1 C 13 21.303 0.300 . 2 . . . . 47 VAL CG1 . 10266 1 499 . 1 1 47 47 VAL CG2 C 13 21.539 0.300 . 2 . . . . 47 VAL CG2 . 10266 1 500 . 1 1 47 47 VAL N N 15 128.169 0.300 . 1 . . . . 47 VAL N . 10266 1 501 . 1 1 48 48 PHE H H 1 9.169 0.030 . 1 . . . . 48 PHE H . 10266 1 502 . 1 1 48 48 PHE HA H 1 6.209 0.030 . 1 . . . . 48 PHE HA . 10266 1 503 . 1 1 48 48 PHE HB2 H 1 2.898 0.030 . 2 . . . . 48 PHE HB2 . 10266 1 504 . 1 1 48 48 PHE HB3 H 1 2.671 0.030 . 2 . . . . 48 PHE HB3 . 10266 1 505 . 1 1 48 48 PHE HD1 H 1 6.842 0.030 . 1 . . . . 48 PHE HD1 . 10266 1 506 . 1 1 48 48 PHE HD2 H 1 6.842 0.030 . 1 . . . . 48 PHE HD2 . 10266 1 507 . 1 1 48 48 PHE HE1 H 1 7.100 0.030 . 1 . . . . 48 PHE HE1 . 10266 1 508 . 1 1 48 48 PHE HE2 H 1 7.100 0.030 . 1 . . . . 48 PHE HE2 . 10266 1 509 . 1 1 48 48 PHE HZ H 1 7.302 0.030 . 1 . . . . 48 PHE HZ . 10266 1 510 . 1 1 48 48 PHE C C 13 173.210 0.300 . 1 . . . . 48 PHE C . 10266 1 511 . 1 1 48 48 PHE CA C 13 54.702 0.300 . 1 . . . . 48 PHE CA . 10266 1 512 . 1 1 48 48 PHE CB C 13 43.316 0.300 . 1 . . . . 48 PHE CB . 10266 1 513 . 1 1 48 48 PHE CD1 C 13 131.974 0.300 . 1 . . . . 48 PHE CD1 . 10266 1 514 . 1 1 48 48 PHE CD2 C 13 131.974 0.300 . 1 . . . . 48 PHE CD2 . 10266 1 515 . 1 1 48 48 PHE CE1 C 13 132.062 0.300 . 1 . . . . 48 PHE CE1 . 10266 1 516 . 1 1 48 48 PHE CE2 C 13 132.062 0.300 . 1 . . . . 48 PHE CE2 . 10266 1 517 . 1 1 48 48 PHE CZ C 13 130.937 0.300 . 1 . . . . 48 PHE CZ . 10266 1 518 . 1 1 48 48 PHE N N 15 123.753 0.300 . 1 . . . . 48 PHE N . 10266 1 519 . 1 1 49 49 ARG H H 1 8.693 0.030 . 1 . . . . 49 ARG H . 10266 1 520 . 1 1 49 49 ARG HA H 1 4.817 0.030 . 1 . . . . 49 ARG HA . 10266 1 521 . 1 1 49 49 ARG HB2 H 1 1.856 0.030 . 2 . . . . 49 ARG HB2 . 10266 1 522 . 1 1 49 49 ARG HB3 H 1 1.567 0.030 . 2 . . . . 49 ARG HB3 . 10266 1 523 . 1 1 49 49 ARG HD2 H 1 3.228 0.030 . 2 . . . . 49 ARG HD2 . 10266 1 524 . 1 1 49 49 ARG HD3 H 1 2.749 0.030 . 2 . . . . 49 ARG HD3 . 10266 1 525 . 1 1 49 49 ARG HE H 1 7.490 0.030 . 1 . . . . 49 ARG HE . 10266 1 526 . 1 1 49 49 ARG HG2 H 1 1.520 0.030 . 2 . . . . 49 ARG HG2 . 10266 1 527 . 1 1 49 49 ARG HG3 H 1 1.250 0.030 . 2 . . . . 49 ARG HG3 . 10266 1 528 . 1 1 49 49 ARG C C 13 175.280 0.300 . 1 . . . . 49 ARG C . 10266 1 529 . 1 1 49 49 ARG CA C 13 54.801 0.300 . 1 . . . . 49 ARG CA . 10266 1 530 . 1 1 49 49 ARG CB C 13 35.242 0.300 . 1 . . . . 49 ARG CB . 10266 1 531 . 1 1 49 49 ARG CD C 13 43.159 0.300 . 1 . . . . 49 ARG CD . 10266 1 532 . 1 1 49 49 ARG CG C 13 26.157 0.300 . 1 . . . . 49 ARG CG . 10266 1 533 . 1 1 49 49 ARG N N 15 118.793 0.300 . 1 . . . . 49 ARG N . 10266 1 534 . 1 1 49 49 ARG NE N 15 84.060 0.300 . 1 . . . . 49 ARG NE . 10266 1 535 . 1 1 50 50 ASP H H 1 8.820 0.030 . 1 . . . . 50 ASP H . 10266 1 536 . 1 1 50 50 ASP HA H 1 4.029 0.030 . 1 . . . . 50 ASP HA . 10266 1 537 . 1 1 50 50 ASP HB2 H 1 2.666 0.030 . 2 . . . . 50 ASP HB2 . 10266 1 538 . 1 1 50 50 ASP HB3 H 1 2.430 0.030 . 2 . . . . 50 ASP HB3 . 10266 1 539 . 1 1 50 50 ASP C C 13 178.592 0.300 . 1 . . . . 50 ASP C . 10266 1 540 . 1 1 50 50 ASP CA C 13 53.498 0.300 . 1 . . . . 50 ASP CA . 10266 1 541 . 1 1 50 50 ASP CB C 13 40.543 0.300 . 1 . . . . 50 ASP CB . 10266 1 542 . 1 1 50 50 ASP N N 15 128.720 0.300 . 1 . . . . 50 ASP N . 10266 1 543 . 1 1 51 51 ILE H H 1 8.315 0.030 . 1 . . . . 51 ILE H . 10266 1 544 . 1 1 51 51 ILE HA H 1 3.892 0.030 . 1 . . . . 51 ILE HA . 10266 1 545 . 1 1 51 51 ILE HB H 1 1.821 0.030 . 1 . . . . 51 ILE HB . 10266 1 546 . 1 1 51 51 ILE HD11 H 1 0.798 0.030 . 1 . . . . 51 ILE HD1 . 10266 1 547 . 1 1 51 51 ILE HD12 H 1 0.798 0.030 . 1 . . . . 51 ILE HD1 . 10266 1 548 . 1 1 51 51 ILE HD13 H 1 0.798 0.030 . 1 . . . . 51 ILE HD1 . 10266 1 549 . 1 1 51 51 ILE HG12 H 1 1.289 0.030 . 2 . . . . 51 ILE HG12 . 10266 1 550 . 1 1 51 51 ILE HG13 H 1 1.226 0.030 . 2 . . . . 51 ILE HG13 . 10266 1 551 . 1 1 51 51 ILE HG21 H 1 0.873 0.030 . 1 . . . . 51 ILE HG2 . 10266 1 552 . 1 1 51 51 ILE HG22 H 1 0.873 0.030 . 1 . . . . 51 ILE HG2 . 10266 1 553 . 1 1 51 51 ILE HG23 H 1 0.873 0.030 . 1 . . . . 51 ILE HG2 . 10266 1 554 . 1 1 51 51 ILE C C 13 176.905 0.300 . 1 . . . . 51 ILE C . 10266 1 555 . 1 1 51 51 ILE CA C 13 64.569 0.300 . 1 . . . . 51 ILE CA . 10266 1 556 . 1 1 51 51 ILE CB C 13 38.126 0.300 . 1 . . . . 51 ILE CB . 10266 1 557 . 1 1 51 51 ILE CD1 C 13 14.314 0.300 . 1 . . . . 51 ILE CD1 . 10266 1 558 . 1 1 51 51 ILE CG1 C 13 26.669 0.300 . 1 . . . . 51 ILE CG1 . 10266 1 559 . 1 1 51 51 ILE CG2 C 13 18.641 0.300 . 1 . . . . 51 ILE CG2 . 10266 1 560 . 1 1 51 51 ILE N N 15 124.642 0.300 . 1 . . . . 51 ILE N . 10266 1 561 . 1 1 52 52 ASN H H 1 8.677 0.030 . 1 . . . . 52 ASN H . 10266 1 562 . 1 1 52 52 ASN HA H 1 4.760 0.030 . 1 . . . . 52 ASN HA . 10266 1 563 . 1 1 52 52 ASN HB2 H 1 2.883 0.030 . 2 . . . . 52 ASN HB2 . 10266 1 564 . 1 1 52 52 ASN HB3 H 1 2.654 0.030 . 2 . . . . 52 ASN HB3 . 10266 1 565 . 1 1 52 52 ASN HD21 H 1 8.088 0.030 . 2 . . . . 52 ASN HD21 . 10266 1 566 . 1 1 52 52 ASN HD22 H 1 6.942 0.030 . 2 . . . . 52 ASN HD22 . 10266 1 567 . 1 1 52 52 ASN C C 13 174.645 0.300 . 1 . . . . 52 ASN C . 10266 1 568 . 1 1 52 52 ASN CA C 13 53.851 0.300 . 1 . . . . 52 ASN CA . 10266 1 569 . 1 1 52 52 ASN CB C 13 39.032 0.300 . 1 . . . . 52 ASN CB . 10266 1 570 . 1 1 52 52 ASN N N 15 119.201 0.300 . 1 . . . . 52 ASN N . 10266 1 571 . 1 1 52 52 ASN ND2 N 15 115.405 0.300 . 1 . . . . 52 ASN ND2 . 10266 1 572 . 1 1 53 53 SER H H 1 8.409 0.030 . 1 . . . . 53 SER H . 10266 1 573 . 1 1 53 53 SER HA H 1 4.663 0.030 . 1 . . . . 53 SER HA . 10266 1 574 . 1 1 53 53 SER HB2 H 1 3.902 0.030 . 2 . . . . 53 SER HB2 . 10266 1 575 . 1 1 53 53 SER HB3 H 1 3.838 0.030 . 2 . . . . 53 SER HB3 . 10266 1 576 . 1 1 53 53 SER C C 13 173.861 0.300 . 1 . . . . 53 SER C . 10266 1 577 . 1 1 53 53 SER CA C 13 56.702 0.300 . 1 . . . . 53 SER CA . 10266 1 578 . 1 1 53 53 SER CB C 13 65.730 0.300 . 1 . . . . 53 SER CB . 10266 1 579 . 1 1 53 53 SER N N 15 116.494 0.300 . 1 . . . . 53 SER N . 10266 1 580 . 1 1 54 54 GLN H H 1 8.489 0.030 . 1 . . . . 54 GLN H . 10266 1 581 . 1 1 54 54 GLN HA H 1 4.329 0.030 . 1 . . . . 54 GLN HA . 10266 1 582 . 1 1 54 54 GLN HB2 H 1 2.251 0.030 . 2 . . . . 54 GLN HB2 . 10266 1 583 . 1 1 54 54 GLN HB3 H 1 1.909 0.030 . 2 . . . . 54 GLN HB3 . 10266 1 584 . 1 1 54 54 GLN HE21 H 1 7.511 0.030 . 2 . . . . 54 GLN HE21 . 10266 1 585 . 1 1 54 54 GLN HE22 H 1 6.780 0.030 . 2 . . . . 54 GLN HE22 . 10266 1 586 . 1 1 54 54 GLN HG2 H 1 2.325 0.030 . 1 . . . . 54 GLN HG2 . 10266 1 587 . 1 1 54 54 GLN HG3 H 1 2.325 0.030 . 1 . . . . 54 GLN HG3 . 10266 1 588 . 1 1 54 54 GLN C C 13 175.789 0.300 . 1 . . . . 54 GLN C . 10266 1 589 . 1 1 54 54 GLN CA C 13 55.857 0.300 . 1 . . . . 54 GLN CA . 10266 1 590 . 1 1 54 54 GLN CB C 13 28.847 0.300 . 1 . . . . 54 GLN CB . 10266 1 591 . 1 1 54 54 GLN CG C 13 33.977 0.300 . 1 . . . . 54 GLN CG . 10266 1 592 . 1 1 54 54 GLN N N 15 119.700 0.300 . 1 . . . . 54 GLN N . 10266 1 593 . 1 1 54 54 GLN NE2 N 15 113.054 0.300 . 1 . . . . 54 GLN NE2 . 10266 1 594 . 1 1 55 55 GLN H H 1 8.108 0.030 . 1 . . . . 55 GLN H . 10266 1 595 . 1 1 55 55 GLN HA H 1 4.269 0.030 . 1 . . . . 55 GLN HA . 10266 1 596 . 1 1 55 55 GLN HB2 H 1 1.975 0.030 . 2 . . . . 55 GLN HB2 . 10266 1 597 . 1 1 55 55 GLN HB3 H 1 1.885 0.030 . 2 . . . . 55 GLN HB3 . 10266 1 598 . 1 1 55 55 GLN HE21 H 1 7.403 0.030 . 2 . . . . 55 GLN HE21 . 10266 1 599 . 1 1 55 55 GLN HE22 H 1 6.714 0.030 . 2 . . . . 55 GLN HE22 . 10266 1 600 . 1 1 55 55 GLN HG2 H 1 2.190 0.030 . 1 . . . . 55 GLN HG2 . 10266 1 601 . 1 1 55 55 GLN HG3 H 1 2.190 0.030 . 1 . . . . 55 GLN HG3 . 10266 1 602 . 1 1 55 55 GLN C C 13 174.076 0.300 . 1 . . . . 55 GLN C . 10266 1 603 . 1 1 55 55 GLN CA C 13 55.689 0.300 . 1 . . . . 55 GLN CA . 10266 1 604 . 1 1 55 55 GLN CB C 13 29.352 0.300 . 1 . . . . 55 GLN CB . 10266 1 605 . 1 1 55 55 GLN CG C 13 33.670 0.300 . 1 . . . . 55 GLN CG . 10266 1 606 . 1 1 55 55 GLN N N 15 120.355 0.300 . 1 . . . . 55 GLN N . 10266 1 607 . 1 1 55 55 GLN NE2 N 15 110.869 0.300 . 1 . . . . 55 GLN NE2 . 10266 1 608 . 1 1 56 56 GLU H H 1 8.603 0.030 . 1 . . . . 56 GLU H . 10266 1 609 . 1 1 56 56 GLU HA H 1 4.372 0.030 . 1 . . . . 56 GLU HA . 10266 1 610 . 1 1 56 56 GLU HB2 H 1 1.769 0.030 . 1 . . . . 56 GLU HB2 . 10266 1 611 . 1 1 56 56 GLU HB3 H 1 1.769 0.030 . 1 . . . . 56 GLU HB3 . 10266 1 612 . 1 1 56 56 GLU HG2 H 1 2.058 0.030 . 2 . . . . 56 GLU HG2 . 10266 1 613 . 1 1 56 56 GLU HG3 H 1 1.924 0.030 . 2 . . . . 56 GLU HG3 . 10266 1 614 . 1 1 56 56 GLU C C 13 175.058 0.300 . 1 . . . . 56 GLU C . 10266 1 615 . 1 1 56 56 GLU CA C 13 55.594 0.300 . 1 . . . . 56 GLU CA . 10266 1 616 . 1 1 56 56 GLU CB C 13 31.640 0.300 . 1 . . . . 56 GLU CB . 10266 1 617 . 1 1 56 56 GLU CG C 13 37.373 0.300 . 1 . . . . 56 GLU CG . 10266 1 618 . 1 1 56 56 GLU N N 15 126.250 0.300 . 1 . . . . 56 GLU N . 10266 1 619 . 1 1 57 57 LEU H H 1 8.520 0.030 . 1 . . . . 57 LEU H . 10266 1 620 . 1 1 57 57 LEU HA H 1 4.458 0.030 . 1 . . . . 57 LEU HA . 10266 1 621 . 1 1 57 57 LEU HB2 H 1 1.006 0.030 . 2 . . . . 57 LEU HB2 . 10266 1 622 . 1 1 57 57 LEU HB3 H 1 0.268 0.030 . 2 . . . . 57 LEU HB3 . 10266 1 623 . 1 1 57 57 LEU HD11 H 1 0.786 0.030 . 1 . . . . 57 LEU HD1 . 10266 1 624 . 1 1 57 57 LEU HD12 H 1 0.786 0.030 . 1 . . . . 57 LEU HD1 . 10266 1 625 . 1 1 57 57 LEU HD13 H 1 0.786 0.030 . 1 . . . . 57 LEU HD1 . 10266 1 626 . 1 1 57 57 LEU HD21 H 1 0.811 0.030 . 1 . . . . 57 LEU HD2 . 10266 1 627 . 1 1 57 57 LEU HD22 H 1 0.811 0.030 . 1 . . . . 57 LEU HD2 . 10266 1 628 . 1 1 57 57 LEU HD23 H 1 0.811 0.030 . 1 . . . . 57 LEU HD2 . 10266 1 629 . 1 1 57 57 LEU HG H 1 1.361 0.030 . 1 . . . . 57 LEU HG . 10266 1 630 . 1 1 57 57 LEU C C 13 174.850 0.300 . 1 . . . . 57 LEU C . 10266 1 631 . 1 1 57 57 LEU CA C 13 53.780 0.300 . 1 . . . . 57 LEU CA . 10266 1 632 . 1 1 57 57 LEU CB C 13 43.903 0.300 . 1 . . . . 57 LEU CB . 10266 1 633 . 1 1 57 57 LEU CD1 C 13 25.407 0.300 . 2 . . . . 57 LEU CD1 . 10266 1 634 . 1 1 57 57 LEU CD2 C 13 23.667 0.300 . 2 . . . . 57 LEU CD2 . 10266 1 635 . 1 1 57 57 LEU CG C 13 27.932 0.300 . 1 . . . . 57 LEU CG . 10266 1 636 . 1 1 57 57 LEU N N 15 127.205 0.300 . 1 . . . . 57 LEU N . 10266 1 637 . 1 1 58 58 GLN H H 1 7.992 0.030 . 1 . . . . 58 GLN H . 10266 1 638 . 1 1 58 58 GLN HA H 1 5.865 0.030 . 1 . . . . 58 GLN HA . 10266 1 639 . 1 1 58 58 GLN HB2 H 1 1.924 0.030 . 2 . . . . 58 GLN HB2 . 10266 1 640 . 1 1 58 58 GLN HB3 H 1 1.787 0.030 . 2 . . . . 58 GLN HB3 . 10266 1 641 . 1 1 58 58 GLN HE21 H 1 7.570 0.030 . 2 . . . . 58 GLN HE21 . 10266 1 642 . 1 1 58 58 GLN HE22 H 1 6.913 0.030 . 2 . . . . 58 GLN HE22 . 10266 1 643 . 1 1 58 58 GLN HG2 H 1 2.192 0.030 . 1 . . . . 58 GLN HG2 . 10266 1 644 . 1 1 58 58 GLN HG3 H 1 2.192 0.030 . 1 . . . . 58 GLN HG3 . 10266 1 645 . 1 1 58 58 GLN C C 13 175.948 0.300 . 1 . . . . 58 GLN C . 10266 1 646 . 1 1 58 58 GLN CA C 13 53.944 0.300 . 1 . . . . 58 GLN CA . 10266 1 647 . 1 1 58 58 GLN CB C 13 32.786 0.300 . 1 . . . . 58 GLN CB . 10266 1 648 . 1 1 58 58 GLN CG C 13 33.553 0.300 . 1 . . . . 58 GLN CG . 10266 1 649 . 1 1 58 58 GLN N N 15 113.562 0.300 . 1 . . . . 58 GLN N . 10266 1 650 . 1 1 58 58 GLN NE2 N 15 112.841 0.300 . 1 . . . . 58 GLN NE2 . 10266 1 651 . 1 1 59 59 ASN H H 1 9.073 0.030 . 1 . . . . 59 ASN H . 10266 1 652 . 1 1 59 59 ASN HA H 1 5.068 0.030 . 1 . . . . 59 ASN HA . 10266 1 653 . 1 1 59 59 ASN HB2 H 1 2.445 0.030 . 2 . . . . 59 ASN HB2 . 10266 1 654 . 1 1 59 59 ASN HB3 H 1 1.846 0.030 . 2 . . . . 59 ASN HB3 . 10266 1 655 . 1 1 59 59 ASN HD21 H 1 7.426 0.030 . 2 . . . . 59 ASN HD21 . 10266 1 656 . 1 1 59 59 ASN HD22 H 1 7.099 0.030 . 2 . . . . 59 ASN HD22 . 10266 1 657 . 1 1 59 59 ASN C C 13 172.790 0.300 . 1 . . . . 59 ASN C . 10266 1 658 . 1 1 59 59 ASN CA C 13 53.023 0.300 . 1 . . . . 59 ASN CA . 10266 1 659 . 1 1 59 59 ASN CB C 13 45.541 0.300 . 1 . . . . 59 ASN CB . 10266 1 660 . 1 1 59 59 ASN N N 15 119.984 0.300 . 1 . . . . 59 ASN N . 10266 1 661 . 1 1 59 59 ASN ND2 N 15 109.455 0.300 . 1 . . . . 59 ASN ND2 . 10266 1 662 . 1 1 60 60 ILE H H 1 8.491 0.030 . 1 . . . . 60 ILE H . 10266 1 663 . 1 1 60 60 ILE HA H 1 5.147 0.030 . 1 . . . . 60 ILE HA . 10266 1 664 . 1 1 60 60 ILE HB H 1 1.632 0.030 . 1 . . . . 60 ILE HB . 10266 1 665 . 1 1 60 60 ILE HD11 H 1 0.643 0.030 . 1 . . . . 60 ILE HD1 . 10266 1 666 . 1 1 60 60 ILE HD12 H 1 0.643 0.030 . 1 . . . . 60 ILE HD1 . 10266 1 667 . 1 1 60 60 ILE HD13 H 1 0.643 0.030 . 1 . . . . 60 ILE HD1 . 10266 1 668 . 1 1 60 60 ILE HG12 H 1 1.428 0.030 . 2 . . . . 60 ILE HG12 . 10266 1 669 . 1 1 60 60 ILE HG13 H 1 1.030 0.030 . 2 . . . . 60 ILE HG13 . 10266 1 670 . 1 1 60 60 ILE HG21 H 1 0.782 0.030 . 1 . . . . 60 ILE HG2 . 10266 1 671 . 1 1 60 60 ILE HG22 H 1 0.782 0.030 . 1 . . . . 60 ILE HG2 . 10266 1 672 . 1 1 60 60 ILE HG23 H 1 0.782 0.030 . 1 . . . . 60 ILE HG2 . 10266 1 673 . 1 1 60 60 ILE C C 13 175.088 0.300 . 1 . . . . 60 ILE C . 10266 1 674 . 1 1 60 60 ILE CA C 13 59.853 0.300 . 1 . . . . 60 ILE CA . 10266 1 675 . 1 1 60 60 ILE CB C 13 40.891 0.300 . 1 . . . . 60 ILE CB . 10266 1 676 . 1 1 60 60 ILE CD1 C 13 13.698 0.300 . 1 . . . . 60 ILE CD1 . 10266 1 677 . 1 1 60 60 ILE CG1 C 13 27.446 0.300 . 1 . . . . 60 ILE CG1 . 10266 1 678 . 1 1 60 60 ILE CG2 C 13 17.464 0.300 . 1 . . . . 60 ILE CG2 . 10266 1 679 . 1 1 60 60 ILE N N 15 119.480 0.300 . 1 . . . . 60 ILE N . 10266 1 680 . 1 1 61 61 THR H H 1 8.755 0.030 . 1 . . . . 61 THR H . 10266 1 681 . 1 1 61 61 THR HA H 1 4.976 0.030 . 1 . . . . 61 THR HA . 10266 1 682 . 1 1 61 61 THR HB H 1 4.348 0.030 . 1 . . . . 61 THR HB . 10266 1 683 . 1 1 61 61 THR HG21 H 1 1.395 0.030 . 1 . . . . 61 THR HG2 . 10266 1 684 . 1 1 61 61 THR HG22 H 1 1.395 0.030 . 1 . . . . 61 THR HG2 . 10266 1 685 . 1 1 61 61 THR HG23 H 1 1.395 0.030 . 1 . . . . 61 THR HG2 . 10266 1 686 . 1 1 61 61 THR C C 13 172.097 0.300 . 1 . . . . 61 THR C . 10266 1 687 . 1 1 61 61 THR CA C 13 59.905 0.300 . 1 . . . . 61 THR CA . 10266 1 688 . 1 1 61 61 THR CB C 13 69.505 0.300 . 1 . . . . 61 THR CB . 10266 1 689 . 1 1 61 61 THR CG2 C 13 18.806 0.300 . 1 . . . . 61 THR CG2 . 10266 1 690 . 1 1 61 61 THR N N 15 118.083 0.300 . 1 . . . . 61 THR N . 10266 1 691 . 1 1 62 62 THR H H 1 8.325 0.030 . 1 . . . . 62 THR H . 10266 1 692 . 1 1 62 62 THR HA H 1 4.641 0.030 . 1 . . . . 62 THR HA . 10266 1 693 . 1 1 62 62 THR HB H 1 4.578 0.030 . 1 . . . . 62 THR HB . 10266 1 694 . 1 1 62 62 THR HG21 H 1 1.361 0.030 . 1 . . . . 62 THR HG2 . 10266 1 695 . 1 1 62 62 THR HG22 H 1 1.361 0.030 . 1 . . . . 62 THR HG2 . 10266 1 696 . 1 1 62 62 THR HG23 H 1 1.361 0.030 . 1 . . . . 62 THR HG2 . 10266 1 697 . 1 1 62 62 THR C C 13 174.386 0.300 . 1 . . . . 62 THR C . 10266 1 698 . 1 1 62 62 THR CA C 13 62.440 0.300 . 1 . . . . 62 THR CA . 10266 1 699 . 1 1 62 62 THR CB C 13 69.355 0.300 . 1 . . . . 62 THR CB . 10266 1 700 . 1 1 62 62 THR CG2 C 13 21.689 0.300 . 1 . . . . 62 THR CG2 . 10266 1 701 . 1 1 62 62 THR N N 15 115.077 0.300 . 1 . . . . 62 THR N . 10266 1 702 . 1 1 63 63 ASP H H 1 8.611 0.030 . 1 . . . . 63 ASP H . 10266 1 703 . 1 1 63 63 ASP HA H 1 4.962 0.030 . 1 . . . . 63 ASP HA . 10266 1 704 . 1 1 63 63 ASP HB2 H 1 2.971 0.030 . 2 . . . . 63 ASP HB2 . 10266 1 705 . 1 1 63 63 ASP HB3 H 1 2.780 0.030 . 2 . . . . 63 ASP HB3 . 10266 1 706 . 1 1 63 63 ASP C C 13 172.906 0.300 . 1 . . . . 63 ASP C . 10266 1 707 . 1 1 63 63 ASP CA C 13 52.981 0.300 . 1 . . . . 63 ASP CA . 10266 1 708 . 1 1 63 63 ASP CB C 13 43.465 0.300 . 1 . . . . 63 ASP CB . 10266 1 709 . 1 1 63 63 ASP N N 15 125.713 0.300 . 1 . . . . 63 ASP N . 10266 1 710 . 1 1 64 64 THR H H 1 7.925 0.030 . 1 . . . . 64 THR H . 10266 1 711 . 1 1 64 64 THR HA H 1 3.088 0.030 . 1 . . . . 64 THR HA . 10266 1 712 . 1 1 64 64 THR HB H 1 4.136 0.030 . 1 . . . . 64 THR HB . 10266 1 713 . 1 1 64 64 THR HG21 H 1 0.874 0.030 . 1 . . . . 64 THR HG2 . 10266 1 714 . 1 1 64 64 THR HG22 H 1 0.874 0.030 . 1 . . . . 64 THR HG2 . 10266 1 715 . 1 1 64 64 THR HG23 H 1 0.874 0.030 . 1 . . . . 64 THR HG2 . 10266 1 716 . 1 1 64 64 THR C C 13 172.176 0.300 . 1 . . . . 64 THR C . 10266 1 717 . 1 1 64 64 THR CA C 13 59.078 0.300 . 1 . . . . 64 THR CA . 10266 1 718 . 1 1 64 64 THR CB C 13 66.137 0.300 . 1 . . . . 64 THR CB . 10266 1 719 . 1 1 64 64 THR CG2 C 13 21.462 0.300 . 1 . . . . 64 THR CG2 . 10266 1 720 . 1 1 64 64 THR N N 15 104.287 0.300 . 1 . . . . 64 THR N . 10266 1 721 . 1 1 65 65 ARG H H 1 6.387 0.030 . 1 . . . . 65 ARG H . 10266 1 722 . 1 1 65 65 ARG HA H 1 4.221 0.030 . 1 . . . . 65 ARG HA . 10266 1 723 . 1 1 65 65 ARG HB2 H 1 1.571 0.030 . 2 . . . . 65 ARG HB2 . 10266 1 724 . 1 1 65 65 ARG HB3 H 1 1.443 0.030 . 2 . . . . 65 ARG HB3 . 10266 1 725 . 1 1 65 65 ARG HD2 H 1 2.949 0.030 . 1 . . . . 65 ARG HD2 . 10266 1 726 . 1 1 65 65 ARG HD3 H 1 2.949 0.030 . 1 . . . . 65 ARG HD3 . 10266 1 727 . 1 1 65 65 ARG HG2 H 1 1.272 0.030 . 1 . . . . 65 ARG HG2 . 10266 1 728 . 1 1 65 65 ARG HG3 H 1 1.272 0.030 . 1 . . . . 65 ARG HG3 . 10266 1 729 . 1 1 65 65 ARG C C 13 174.862 0.300 . 1 . . . . 65 ARG C . 10266 1 730 . 1 1 65 65 ARG CA C 13 54.132 0.300 . 1 . . . . 65 ARG CA . 10266 1 731 . 1 1 65 65 ARG CB C 13 32.928 0.300 . 1 . . . . 65 ARG CB . 10266 1 732 . 1 1 65 65 ARG CD C 13 43.388 0.300 . 1 . . . . 65 ARG CD . 10266 1 733 . 1 1 65 65 ARG CG C 13 26.043 0.300 . 1 . . . . 65 ARG CG . 10266 1 734 . 1 1 65 65 ARG N N 15 115.062 0.300 . 1 . . . . 65 ARG N . 10266 1 735 . 1 1 66 66 PHE H H 1 8.177 0.030 . 1 . . . . 66 PHE H . 10266 1 736 . 1 1 66 66 PHE HA H 1 4.373 0.030 . 1 . . . . 66 PHE HA . 10266 1 737 . 1 1 66 66 PHE HB2 H 1 3.498 0.030 . 2 . . . . 66 PHE HB2 . 10266 1 738 . 1 1 66 66 PHE HB3 H 1 2.519 0.030 . 2 . . . . 66 PHE HB3 . 10266 1 739 . 1 1 66 66 PHE HD1 H 1 7.093 0.030 . 1 . . . . 66 PHE HD1 . 10266 1 740 . 1 1 66 66 PHE HD2 H 1 7.093 0.030 . 1 . . . . 66 PHE HD2 . 10266 1 741 . 1 1 66 66 PHE HE1 H 1 7.337 0.030 . 1 . . . . 66 PHE HE1 . 10266 1 742 . 1 1 66 66 PHE HE2 H 1 7.337 0.030 . 1 . . . . 66 PHE HE2 . 10266 1 743 . 1 1 66 66 PHE HZ H 1 7.317 0.030 . 1 . . . . 66 PHE HZ . 10266 1 744 . 1 1 66 66 PHE C C 13 172.804 0.300 . 1 . . . . 66 PHE C . 10266 1 745 . 1 1 66 66 PHE CA C 13 59.536 0.300 . 1 . . . . 66 PHE CA . 10266 1 746 . 1 1 66 66 PHE CB C 13 44.469 0.300 . 1 . . . . 66 PHE CB . 10266 1 747 . 1 1 66 66 PHE CD1 C 13 130.975 0.300 . 1 . . . . 66 PHE CD1 . 10266 1 748 . 1 1 66 66 PHE CD2 C 13 130.975 0.300 . 1 . . . . 66 PHE CD2 . 10266 1 749 . 1 1 66 66 PHE CE1 C 13 131.766 0.300 . 1 . . . . 66 PHE CE1 . 10266 1 750 . 1 1 66 66 PHE CE2 C 13 131.766 0.300 . 1 . . . . 66 PHE CE2 . 10266 1 751 . 1 1 66 66 PHE CZ C 13 130.198 0.300 . 1 . . . . 66 PHE CZ . 10266 1 752 . 1 1 66 66 PHE N N 15 119.991 0.300 . 1 . . . . 66 PHE N . 10266 1 753 . 1 1 67 67 THR H H 1 7.332 0.030 . 1 . . . . 67 THR H . 10266 1 754 . 1 1 67 67 THR HA H 1 4.628 0.030 . 1 . . . . 67 THR HA . 10266 1 755 . 1 1 67 67 THR HB H 1 3.548 0.030 . 1 . . . . 67 THR HB . 10266 1 756 . 1 1 67 67 THR HG21 H 1 0.792 0.030 . 1 . . . . 67 THR HG2 . 10266 1 757 . 1 1 67 67 THR HG22 H 1 0.792 0.030 . 1 . . . . 67 THR HG2 . 10266 1 758 . 1 1 67 67 THR HG23 H 1 0.792 0.030 . 1 . . . . 67 THR HG2 . 10266 1 759 . 1 1 67 67 THR C C 13 172.910 0.300 . 1 . . . . 67 THR C . 10266 1 760 . 1 1 67 67 THR CA C 13 61.261 0.300 . 1 . . . . 67 THR CA . 10266 1 761 . 1 1 67 67 THR CB C 13 69.260 0.300 . 1 . . . . 67 THR CB . 10266 1 762 . 1 1 67 67 THR CG2 C 13 21.229 0.300 . 1 . . . . 67 THR CG2 . 10266 1 763 . 1 1 67 67 THR N N 15 123.294 0.300 . 1 . . . . 67 THR N . 10266 1 764 . 1 1 68 68 LEU H H 1 8.776 0.030 . 1 . . . . 68 LEU H . 10266 1 765 . 1 1 68 68 LEU HA H 1 4.192 0.030 . 1 . . . . 68 LEU HA . 10266 1 766 . 1 1 68 68 LEU HB2 H 1 1.504 0.030 . 2 . . . . 68 LEU HB2 . 10266 1 767 . 1 1 68 68 LEU HB3 H 1 0.740 0.030 . 2 . . . . 68 LEU HB3 . 10266 1 768 . 1 1 68 68 LEU HD11 H 1 0.116 0.030 . 1 . . . . 68 LEU HD1 . 10266 1 769 . 1 1 68 68 LEU HD12 H 1 0.116 0.030 . 1 . . . . 68 LEU HD1 . 10266 1 770 . 1 1 68 68 LEU HD13 H 1 0.116 0.030 . 1 . . . . 68 LEU HD1 . 10266 1 771 . 1 1 68 68 LEU HD21 H 1 0.172 0.030 . 1 . . . . 68 LEU HD2 . 10266 1 772 . 1 1 68 68 LEU HD22 H 1 0.172 0.030 . 1 . . . . 68 LEU HD2 . 10266 1 773 . 1 1 68 68 LEU HD23 H 1 0.172 0.030 . 1 . . . . 68 LEU HD2 . 10266 1 774 . 1 1 68 68 LEU HG H 1 1.398 0.030 . 1 . . . . 68 LEU HG . 10266 1 775 . 1 1 68 68 LEU C C 13 176.337 0.300 . 1 . . . . 68 LEU C . 10266 1 776 . 1 1 68 68 LEU CA C 13 54.394 0.300 . 1 . . . . 68 LEU CA . 10266 1 777 . 1 1 68 68 LEU CB C 13 42.394 0.300 . 1 . . . . 68 LEU CB . 10266 1 778 . 1 1 68 68 LEU CD1 C 13 22.349 0.300 . 2 . . . . 68 LEU CD1 . 10266 1 779 . 1 1 68 68 LEU CD2 C 13 24.756 0.300 . 2 . . . . 68 LEU CD2 . 10266 1 780 . 1 1 68 68 LEU CG C 13 26.076 0.300 . 1 . . . . 68 LEU CG . 10266 1 781 . 1 1 68 68 LEU N N 15 126.969 0.300 . 1 . . . . 68 LEU N . 10266 1 782 . 1 1 69 69 THR H H 1 7.921 0.030 . 1 . . . . 69 THR H . 10266 1 783 . 1 1 69 69 THR HA H 1 4.814 0.030 . 1 . . . . 69 THR HA . 10266 1 784 . 1 1 69 69 THR HB H 1 4.155 0.030 . 1 . . . . 69 THR HB . 10266 1 785 . 1 1 69 69 THR HG21 H 1 0.943 0.030 . 1 . . . . 69 THR HG2 . 10266 1 786 . 1 1 69 69 THR HG22 H 1 0.943 0.030 . 1 . . . . 69 THR HG2 . 10266 1 787 . 1 1 69 69 THR HG23 H 1 0.943 0.030 . 1 . . . . 69 THR HG2 . 10266 1 788 . 1 1 69 69 THR C C 13 173.856 0.300 . 1 . . . . 69 THR C . 10266 1 789 . 1 1 69 69 THR CA C 13 59.694 0.300 . 1 . . . . 69 THR CA . 10266 1 790 . 1 1 69 69 THR CB C 13 71.829 0.300 . 1 . . . . 69 THR CB . 10266 1 791 . 1 1 69 69 THR CG2 C 13 21.278 0.300 . 1 . . . . 69 THR CG2 . 10266 1 792 . 1 1 69 69 THR N N 15 111.246 0.300 . 1 . . . . 69 THR N . 10266 1 793 . 1 1 70 70 GLY H H 1 8.894 0.030 . 1 . . . . 70 GLY H . 10266 1 794 . 1 1 70 70 GLY HA2 H 1 3.930 0.030 . 2 . . . . 70 GLY HA2 . 10266 1 795 . 1 1 70 70 GLY HA3 H 1 3.809 0.030 . 2 . . . . 70 GLY HA3 . 10266 1 796 . 1 1 70 70 GLY C C 13 175.589 0.300 . 1 . . . . 70 GLY C . 10266 1 797 . 1 1 70 70 GLY CA C 13 46.178 0.300 . 1 . . . . 70 GLY CA . 10266 1 798 . 1 1 70 70 GLY N N 15 107.415 0.300 . 1 . . . . 70 GLY N . 10266 1 799 . 1 1 71 71 LEU H H 1 8.341 0.030 . 1 . . . . 71 LEU H . 10266 1 800 . 1 1 71 71 LEU HA H 1 4.195 0.030 . 1 . . . . 71 LEU HA . 10266 1 801 . 1 1 71 71 LEU HB2 H 1 1.386 0.030 . 2 . . . . 71 LEU HB2 . 10266 1 802 . 1 1 71 71 LEU HB3 H 1 0.969 0.030 . 2 . . . . 71 LEU HB3 . 10266 1 803 . 1 1 71 71 LEU HD11 H 1 -0.025 0.030 . 1 . . . . 71 LEU HD1 . 10266 1 804 . 1 1 71 71 LEU HD12 H 1 -0.025 0.030 . 1 . . . . 71 LEU HD1 . 10266 1 805 . 1 1 71 71 LEU HD13 H 1 -0.025 0.030 . 1 . . . . 71 LEU HD1 . 10266 1 806 . 1 1 71 71 LEU HD21 H 1 0.010 0.030 . 1 . . . . 71 LEU HD2 . 10266 1 807 . 1 1 71 71 LEU HD22 H 1 0.010 0.030 . 1 . . . . 71 LEU HD2 . 10266 1 808 . 1 1 71 71 LEU HD23 H 1 0.010 0.030 . 1 . . . . 71 LEU HD2 . 10266 1 809 . 1 1 71 71 LEU HG H 1 0.866 0.030 . 1 . . . . 71 LEU HG . 10266 1 810 . 1 1 71 71 LEU C C 13 175.422 0.300 . 1 . . . . 71 LEU C . 10266 1 811 . 1 1 71 71 LEU CA C 13 53.429 0.300 . 1 . . . . 71 LEU CA . 10266 1 812 . 1 1 71 71 LEU CB C 13 40.650 0.300 . 1 . . . . 71 LEU CB . 10266 1 813 . 1 1 71 71 LEU CD1 C 13 25.128 0.300 . 2 . . . . 71 LEU CD1 . 10266 1 814 . 1 1 71 71 LEU CD2 C 13 19.681 0.300 . 2 . . . . 71 LEU CD2 . 10266 1 815 . 1 1 71 71 LEU CG C 13 25.974 0.300 . 1 . . . . 71 LEU CG . 10266 1 816 . 1 1 71 71 LEU N N 15 118.621 0.300 . 1 . . . . 71 LEU N . 10266 1 817 . 1 1 72 72 LYS H H 1 8.298 0.030 . 1 . . . . 72 LYS H . 10266 1 818 . 1 1 72 72 LYS HA H 1 4.631 0.030 . 1 . . . . 72 LYS HA . 10266 1 819 . 1 1 72 72 LYS HB2 H 1 1.819 0.030 . 1 . . . . 72 LYS HB2 . 10266 1 820 . 1 1 72 72 LYS HB3 H 1 1.819 0.030 . 1 . . . . 72 LYS HB3 . 10266 1 821 . 1 1 72 72 LYS HD2 H 1 1.721 0.030 . 1 . . . . 72 LYS HD2 . 10266 1 822 . 1 1 72 72 LYS HD3 H 1 1.721 0.030 . 1 . . . . 72 LYS HD3 . 10266 1 823 . 1 1 72 72 LYS HE2 H 1 3.013 0.030 . 1 . . . . 72 LYS HE2 . 10266 1 824 . 1 1 72 72 LYS HE3 H 1 3.013 0.030 . 1 . . . . 72 LYS HE3 . 10266 1 825 . 1 1 72 72 LYS HG2 H 1 1.642 0.030 . 2 . . . . 72 LYS HG2 . 10266 1 826 . 1 1 72 72 LYS HG3 H 1 1.529 0.030 . 2 . . . . 72 LYS HG3 . 10266 1 827 . 1 1 72 72 LYS C C 13 174.599 0.300 . 1 . . . . 72 LYS C . 10266 1 828 . 1 1 72 72 LYS CA C 13 53.851 0.300 . 1 . . . . 72 LYS CA . 10266 1 829 . 1 1 72 72 LYS CB C 13 33.619 0.300 . 1 . . . . 72 LYS CB . 10266 1 830 . 1 1 72 72 LYS CD C 13 29.474 0.300 . 1 . . . . 72 LYS CD . 10266 1 831 . 1 1 72 72 LYS CE C 13 42.083 0.300 . 1 . . . . 72 LYS CE . 10266 1 832 . 1 1 72 72 LYS CG C 13 24.944 0.300 . 1 . . . . 72 LYS CG . 10266 1 833 . 1 1 72 72 LYS N N 15 121.340 0.300 . 1 . . . . 72 LYS N . 10266 1 834 . 1 1 73 73 PRO HA H 1 5.086 0.030 . 1 . . . . 73 PRO HA . 10266 1 835 . 1 1 73 73 PRO HB2 H 1 2.493 0.030 . 2 . . . . 73 PRO HB2 . 10266 1 836 . 1 1 73 73 PRO HB3 H 1 1.931 0.030 . 2 . . . . 73 PRO HB3 . 10266 1 837 . 1 1 73 73 PRO HD2 H 1 3.938 0.030 . 2 . . . . 73 PRO HD2 . 10266 1 838 . 1 1 73 73 PRO HD3 H 1 3.558 0.030 . 2 . . . . 73 PRO HD3 . 10266 1 839 . 1 1 73 73 PRO HG2 H 1 2.007 0.030 . 2 . . . . 73 PRO HG2 . 10266 1 840 . 1 1 73 73 PRO HG3 H 1 1.924 0.030 . 2 . . . . 73 PRO HG3 . 10266 1 841 . 1 1 73 73 PRO C C 13 178.198 0.300 . 1 . . . . 73 PRO C . 10266 1 842 . 1 1 73 73 PRO CA C 13 62.897 0.300 . 1 . . . . 73 PRO CA . 10266 1 843 . 1 1 73 73 PRO CB C 13 33.198 0.300 . 1 . . . . 73 PRO CB . 10266 1 844 . 1 1 73 73 PRO CD C 13 50.885 0.300 . 1 . . . . 73 PRO CD . 10266 1 845 . 1 1 73 73 PRO CG C 13 27.457 0.300 . 1 . . . . 73 PRO CG . 10266 1 846 . 1 1 74 74 ASP H H 1 7.537 0.030 . 1 . . . . 74 ASP H . 10266 1 847 . 1 1 74 74 ASP HA H 1 4.290 0.030 . 1 . . . . 74 ASP HA . 10266 1 848 . 1 1 74 74 ASP HB2 H 1 3.079 0.030 . 2 . . . . 74 ASP HB2 . 10266 1 849 . 1 1 74 74 ASP HB3 H 1 1.986 0.030 . 2 . . . . 74 ASP HB3 . 10266 1 850 . 1 1 74 74 ASP C C 13 174.390 0.300 . 1 . . . . 74 ASP C . 10266 1 851 . 1 1 74 74 ASP CA C 13 54.343 0.300 . 1 . . . . 74 ASP CA . 10266 1 852 . 1 1 74 74 ASP CB C 13 41.393 0.300 . 1 . . . . 74 ASP CB . 10266 1 853 . 1 1 74 74 ASP N N 15 126.834 0.300 . 1 . . . . 74 ASP N . 10266 1 854 . 1 1 75 75 THR H H 1 8.197 0.030 . 1 . . . . 75 THR H . 10266 1 855 . 1 1 75 75 THR HA H 1 4.316 0.030 . 1 . . . . 75 THR HA . 10266 1 856 . 1 1 75 75 THR HB H 1 3.918 0.030 . 1 . . . . 75 THR HB . 10266 1 857 . 1 1 75 75 THR HG21 H 1 0.669 0.030 . 1 . . . . 75 THR HG2 . 10266 1 858 . 1 1 75 75 THR HG22 H 1 0.669 0.030 . 1 . . . . 75 THR HG2 . 10266 1 859 . 1 1 75 75 THR HG23 H 1 0.669 0.030 . 1 . . . . 75 THR HG2 . 10266 1 860 . 1 1 75 75 THR C C 13 172.076 0.300 . 1 . . . . 75 THR C . 10266 1 861 . 1 1 75 75 THR CA C 13 63.087 0.300 . 1 . . . . 75 THR CA . 10266 1 862 . 1 1 75 75 THR CB C 13 71.822 0.300 . 1 . . . . 75 THR CB . 10266 1 863 . 1 1 75 75 THR CG2 C 13 19.728 0.300 . 1 . . . . 75 THR CG2 . 10266 1 864 . 1 1 75 75 THR N N 15 113.905 0.300 . 1 . . . . 75 THR N . 10266 1 865 . 1 1 76 76 THR H H 1 8.606 0.030 . 1 . . . . 76 THR H . 10266 1 866 . 1 1 76 76 THR HA H 1 4.641 0.030 . 1 . . . . 76 THR HA . 10266 1 867 . 1 1 76 76 THR HB H 1 3.889 0.030 . 1 . . . . 76 THR HB . 10266 1 868 . 1 1 76 76 THR HG21 H 1 1.053 0.030 . 1 . . . . 76 THR HG2 . 10266 1 869 . 1 1 76 76 THR HG22 H 1 1.053 0.030 . 1 . . . . 76 THR HG2 . 10266 1 870 . 1 1 76 76 THR HG23 H 1 1.053 0.030 . 1 . . . . 76 THR HG2 . 10266 1 871 . 1 1 76 76 THR C C 13 172.308 0.300 . 1 . . . . 76 THR C . 10266 1 872 . 1 1 76 76 THR CA C 13 63.197 0.300 . 1 . . . . 76 THR CA . 10266 1 873 . 1 1 76 76 THR CB C 13 68.333 0.300 . 1 . . . . 76 THR CB . 10266 1 874 . 1 1 76 76 THR CG2 C 13 22.183 0.300 . 1 . . . . 76 THR CG2 . 10266 1 875 . 1 1 76 76 THR N N 15 124.170 0.300 . 1 . . . . 76 THR N . 10266 1 876 . 1 1 77 77 TYR H H 1 9.230 0.030 . 1 . . . . 77 TYR H . 10266 1 877 . 1 1 77 77 TYR HA H 1 5.084 0.030 . 1 . . . . 77 TYR HA . 10266 1 878 . 1 1 77 77 TYR HB2 H 1 2.743 0.030 . 2 . . . . 77 TYR HB2 . 10266 1 879 . 1 1 77 77 TYR HB3 H 1 2.641 0.030 . 2 . . . . 77 TYR HB3 . 10266 1 880 . 1 1 77 77 TYR HD1 H 1 7.038 0.030 . 1 . . . . 77 TYR HD1 . 10266 1 881 . 1 1 77 77 TYR HD2 H 1 7.038 0.030 . 1 . . . . 77 TYR HD2 . 10266 1 882 . 1 1 77 77 TYR HE1 H 1 6.898 0.030 . 1 . . . . 77 TYR HE1 . 10266 1 883 . 1 1 77 77 TYR HE2 H 1 6.898 0.030 . 1 . . . . 77 TYR HE2 . 10266 1 884 . 1 1 77 77 TYR C C 13 174.065 0.300 . 1 . . . . 77 TYR C . 10266 1 885 . 1 1 77 77 TYR CA C 13 57.443 0.300 . 1 . . . . 77 TYR CA . 10266 1 886 . 1 1 77 77 TYR CB C 13 41.115 0.300 . 1 . . . . 77 TYR CB . 10266 1 887 . 1 1 77 77 TYR CD1 C 13 132.990 0.300 . 1 . . . . 77 TYR CD1 . 10266 1 888 . 1 1 77 77 TYR CD2 C 13 132.990 0.300 . 1 . . . . 77 TYR CD2 . 10266 1 889 . 1 1 77 77 TYR CE1 C 13 118.543 0.300 . 1 . . . . 77 TYR CE1 . 10266 1 890 . 1 1 77 77 TYR CE2 C 13 118.543 0.300 . 1 . . . . 77 TYR CE2 . 10266 1 891 . 1 1 77 77 TYR N N 15 125.729 0.300 . 1 . . . . 77 TYR N . 10266 1 892 . 1 1 78 78 ASP H H 1 9.222 0.030 . 1 . . . . 78 ASP H . 10266 1 893 . 1 1 78 78 ASP HA H 1 5.288 0.030 . 1 . . . . 78 ASP HA . 10266 1 894 . 1 1 78 78 ASP HB2 H 1 2.721 0.030 . 2 . . . . 78 ASP HB2 . 10266 1 895 . 1 1 78 78 ASP HB3 H 1 2.361 0.030 . 2 . . . . 78 ASP HB3 . 10266 1 896 . 1 1 78 78 ASP C C 13 176.268 0.300 . 1 . . . . 78 ASP C . 10266 1 897 . 1 1 78 78 ASP CA C 13 53.565 0.300 . 1 . . . . 78 ASP CA . 10266 1 898 . 1 1 78 78 ASP CB C 13 44.874 0.300 . 1 . . . . 78 ASP CB . 10266 1 899 . 1 1 78 78 ASP N N 15 124.016 0.300 . 1 . . . . 78 ASP N . 10266 1 900 . 1 1 79 79 ILE H H 1 9.210 0.030 . 1 . . . . 79 ILE H . 10266 1 901 . 1 1 79 79 ILE HA H 1 5.027 0.030 . 1 . . . . 79 ILE HA . 10266 1 902 . 1 1 79 79 ILE HB H 1 1.448 0.030 . 1 . . . . 79 ILE HB . 10266 1 903 . 1 1 79 79 ILE HD11 H 1 0.699 0.030 . 1 . . . . 79 ILE HD1 . 10266 1 904 . 1 1 79 79 ILE HD12 H 1 0.699 0.030 . 1 . . . . 79 ILE HD1 . 10266 1 905 . 1 1 79 79 ILE HD13 H 1 0.699 0.030 . 1 . . . . 79 ILE HD1 . 10266 1 906 . 1 1 79 79 ILE HG12 H 1 1.611 0.030 . 2 . . . . 79 ILE HG12 . 10266 1 907 . 1 1 79 79 ILE HG13 H 1 0.779 0.030 . 2 . . . . 79 ILE HG13 . 10266 1 908 . 1 1 79 79 ILE HG21 H 1 0.776 0.030 . 1 . . . . 79 ILE HG2 . 10266 1 909 . 1 1 79 79 ILE HG22 H 1 0.776 0.030 . 1 . . . . 79 ILE HG2 . 10266 1 910 . 1 1 79 79 ILE HG23 H 1 0.776 0.030 . 1 . . . . 79 ILE HG2 . 10266 1 911 . 1 1 79 79 ILE C C 13 172.968 0.300 . 1 . . . . 79 ILE C . 10266 1 912 . 1 1 79 79 ILE CA C 13 61.102 0.300 . 1 . . . . 79 ILE CA . 10266 1 913 . 1 1 79 79 ILE CB C 13 41.830 0.300 . 1 . . . . 79 ILE CB . 10266 1 914 . 1 1 79 79 ILE CD1 C 13 15.132 0.300 . 1 . . . . 79 ILE CD1 . 10266 1 915 . 1 1 79 79 ILE CG1 C 13 27.975 0.300 . 1 . . . . 79 ILE CG1 . 10266 1 916 . 1 1 79 79 ILE CG2 C 13 18.867 0.300 . 1 . . . . 79 ILE CG2 . 10266 1 917 . 1 1 79 79 ILE N N 15 127.527 0.300 . 1 . . . . 79 ILE N . 10266 1 918 . 1 1 80 80 LYS H H 1 8.930 0.030 . 1 . . . . 80 LYS H . 10266 1 919 . 1 1 80 80 LYS HA H 1 4.282 0.030 . 1 . . . . 80 LYS HA . 10266 1 920 . 1 1 80 80 LYS HB2 H 1 1.706 0.030 . 2 . . . . 80 LYS HB2 . 10266 1 921 . 1 1 80 80 LYS HB3 H 1 1.532 0.030 . 2 . . . . 80 LYS HB3 . 10266 1 922 . 1 1 80 80 LYS HD2 H 1 1.585 0.030 . 2 . . . . 80 LYS HD2 . 10266 1 923 . 1 1 80 80 LYS HD3 H 1 1.509 0.030 . 2 . . . . 80 LYS HD3 . 10266 1 924 . 1 1 80 80 LYS HE2 H 1 2.860 0.030 . 1 . . . . 80 LYS HE2 . 10266 1 925 . 1 1 80 80 LYS HE3 H 1 2.860 0.030 . 1 . . . . 80 LYS HE3 . 10266 1 926 . 1 1 80 80 LYS HG2 H 1 1.356 0.030 . 2 . . . . 80 LYS HG2 . 10266 1 927 . 1 1 80 80 LYS HG3 H 1 1.152 0.030 . 2 . . . . 80 LYS HG3 . 10266 1 928 . 1 1 80 80 LYS C C 13 173.716 0.300 . 1 . . . . 80 LYS C . 10266 1 929 . 1 1 80 80 LYS CA C 13 54.749 0.300 . 1 . . . . 80 LYS CA . 10266 1 930 . 1 1 80 80 LYS CB C 13 37.864 0.300 . 1 . . . . 80 LYS CB . 10266 1 931 . 1 1 80 80 LYS CD C 13 30.611 0.300 . 1 . . . . 80 LYS CD . 10266 1 932 . 1 1 80 80 LYS CE C 13 42.196 0.300 . 1 . . . . 80 LYS CE . 10266 1 933 . 1 1 80 80 LYS CG C 13 24.493 0.300 . 1 . . . . 80 LYS CG . 10266 1 934 . 1 1 80 80 LYS N N 15 122.620 0.300 . 1 . . . . 80 LYS N . 10266 1 935 . 1 1 81 81 VAL H H 1 8.070 0.030 . 1 . . . . 81 VAL H . 10266 1 936 . 1 1 81 81 VAL HA H 1 5.365 0.030 . 1 . . . . 81 VAL HA . 10266 1 937 . 1 1 81 81 VAL HB H 1 1.082 0.030 . 1 . . . . 81 VAL HB . 10266 1 938 . 1 1 81 81 VAL HG11 H 1 0.051 0.030 . 1 . . . . 81 VAL HG1 . 10266 1 939 . 1 1 81 81 VAL HG12 H 1 0.051 0.030 . 1 . . . . 81 VAL HG1 . 10266 1 940 . 1 1 81 81 VAL HG13 H 1 0.051 0.030 . 1 . . . . 81 VAL HG1 . 10266 1 941 . 1 1 81 81 VAL HG21 H 1 -0.065 0.030 . 1 . . . . 81 VAL HG2 . 10266 1 942 . 1 1 81 81 VAL HG22 H 1 -0.065 0.030 . 1 . . . . 81 VAL HG2 . 10266 1 943 . 1 1 81 81 VAL HG23 H 1 -0.065 0.030 . 1 . . . . 81 VAL HG2 . 10266 1 944 . 1 1 81 81 VAL C C 13 174.099 0.300 . 1 . . . . 81 VAL C . 10266 1 945 . 1 1 81 81 VAL CA C 13 59.228 0.300 . 1 . . . . 81 VAL CA . 10266 1 946 . 1 1 81 81 VAL CB C 13 36.108 0.300 . 1 . . . . 81 VAL CB . 10266 1 947 . 1 1 81 81 VAL CG1 C 13 20.424 0.300 . 2 . . . . 81 VAL CG1 . 10266 1 948 . 1 1 81 81 VAL CG2 C 13 20.814 0.300 . 2 . . . . 81 VAL CG2 . 10266 1 949 . 1 1 81 81 VAL N N 15 115.045 0.300 . 1 . . . . 81 VAL N . 10266 1 950 . 1 1 82 82 ARG H H 1 8.733 0.030 . 1 . . . . 82 ARG H . 10266 1 951 . 1 1 82 82 ARG HA H 1 4.984 0.030 . 1 . . . . 82 ARG HA . 10266 1 952 . 1 1 82 82 ARG HB2 H 1 1.760 0.030 . 2 . . . . 82 ARG HB2 . 10266 1 953 . 1 1 82 82 ARG HB3 H 1 1.417 0.030 . 2 . . . . 82 ARG HB3 . 10266 1 954 . 1 1 82 82 ARG HD2 H 1 2.977 0.030 . 2 . . . . 82 ARG HD2 . 10266 1 955 . 1 1 82 82 ARG HD3 H 1 2.944 0.030 . 2 . . . . 82 ARG HD3 . 10266 1 956 . 1 1 82 82 ARG HE H 1 7.082 0.030 . 1 . . . . 82 ARG HE . 10266 1 957 . 1 1 82 82 ARG HG2 H 1 1.627 0.030 . 2 . . . . 82 ARG HG2 . 10266 1 958 . 1 1 82 82 ARG HG3 H 1 1.287 0.030 . 2 . . . . 82 ARG HG3 . 10266 1 959 . 1 1 82 82 ARG C C 13 172.874 0.300 . 1 . . . . 82 ARG C . 10266 1 960 . 1 1 82 82 ARG CA C 13 53.552 0.300 . 1 . . . . 82 ARG CA . 10266 1 961 . 1 1 82 82 ARG CB C 13 34.521 0.300 . 1 . . . . 82 ARG CB . 10266 1 962 . 1 1 82 82 ARG CD C 13 43.915 0.300 . 1 . . . . 82 ARG CD . 10266 1 963 . 1 1 82 82 ARG CG C 13 24.790 0.300 . 1 . . . . 82 ARG CG . 10266 1 964 . 1 1 82 82 ARG N N 15 122.032 0.300 . 1 . . . . 82 ARG N . 10266 1 965 . 1 1 82 82 ARG NE N 15 80.300 0.300 . 1 . . . . 82 ARG NE . 10266 1 966 . 1 1 83 83 ALA H H 1 9.221 0.030 . 1 . . . . 83 ALA H . 10266 1 967 . 1 1 83 83 ALA HA H 1 5.132 0.030 . 1 . . . . 83 ALA HA . 10266 1 968 . 1 1 83 83 ALA HB1 H 1 1.417 0.030 . 1 . . . . 83 ALA HB . 10266 1 969 . 1 1 83 83 ALA HB2 H 1 1.417 0.030 . 1 . . . . 83 ALA HB . 10266 1 970 . 1 1 83 83 ALA HB3 H 1 1.417 0.030 . 1 . . . . 83 ALA HB . 10266 1 971 . 1 1 83 83 ALA C C 13 174.998 0.300 . 1 . . . . 83 ALA C . 10266 1 972 . 1 1 83 83 ALA CA C 13 50.383 0.300 . 1 . . . . 83 ALA CA . 10266 1 973 . 1 1 83 83 ALA CB C 13 23.472 0.300 . 1 . . . . 83 ALA CB . 10266 1 974 . 1 1 83 83 ALA N N 15 124.044 0.300 . 1 . . . . 83 ALA N . 10266 1 975 . 1 1 84 84 TRP H H 1 8.387 0.030 . 1 . . . . 84 TRP H . 10266 1 976 . 1 1 84 84 TRP HA H 1 5.020 0.030 . 1 . . . . 84 TRP HA . 10266 1 977 . 1 1 84 84 TRP HB2 H 1 3.182 0.030 . 2 . . . . 84 TRP HB2 . 10266 1 978 . 1 1 84 84 TRP HB3 H 1 2.795 0.030 . 2 . . . . 84 TRP HB3 . 10266 1 979 . 1 1 84 84 TRP HD1 H 1 6.732 0.030 . 1 . . . . 84 TRP HD1 . 10266 1 980 . 1 1 84 84 TRP HE1 H 1 10.442 0.030 . 1 . . . . 84 TRP HE1 . 10266 1 981 . 1 1 84 84 TRP HE3 H 1 7.468 0.030 . 1 . . . . 84 TRP HE3 . 10266 1 982 . 1 1 84 84 TRP HH2 H 1 7.140 0.030 . 1 . . . . 84 TRP HH2 . 10266 1 983 . 1 1 84 84 TRP HZ2 H 1 7.353 0.030 . 1 . . . . 84 TRP HZ2 . 10266 1 984 . 1 1 84 84 TRP HZ3 H 1 7.093 0.030 . 1 . . . . 84 TRP HZ3 . 10266 1 985 . 1 1 84 84 TRP C C 13 177.430 0.300 . 1 . . . . 84 TRP C . 10266 1 986 . 1 1 84 84 TRP CA C 13 56.807 0.300 . 1 . . . . 84 TRP CA . 10266 1 987 . 1 1 84 84 TRP CB C 13 31.235 0.300 . 1 . . . . 84 TRP CB . 10266 1 988 . 1 1 84 84 TRP CD1 C 13 126.818 0.300 . 1 . . . . 84 TRP CD1 . 10266 1 989 . 1 1 84 84 TRP CE3 C 13 120.431 0.300 . 1 . . . . 84 TRP CE3 . 10266 1 990 . 1 1 84 84 TRP CH2 C 13 124.470 0.300 . 1 . . . . 84 TRP CH2 . 10266 1 991 . 1 1 84 84 TRP CZ2 C 13 114.145 0.300 . 1 . . . . 84 TRP CZ2 . 10266 1 992 . 1 1 84 84 TRP CZ3 C 13 121.973 0.300 . 1 . . . . 84 TRP CZ3 . 10266 1 993 . 1 1 84 84 TRP N N 15 117.779 0.300 . 1 . . . . 84 TRP N . 10266 1 994 . 1 1 84 84 TRP NE1 N 15 130.135 0.300 . 1 . . . . 84 TRP NE1 . 10266 1 995 . 1 1 85 85 THR H H 1 8.698 0.030 . 1 . . . . 85 THR H . 10266 1 996 . 1 1 85 85 THR HA H 1 5.190 0.030 . 1 . . . . 85 THR HA . 10266 1 997 . 1 1 85 85 THR HB H 1 4.717 0.030 . 1 . . . . 85 THR HB . 10266 1 998 . 1 1 85 85 THR HG21 H 1 1.016 0.030 . 1 . . . . 85 THR HG2 . 10266 1 999 . 1 1 85 85 THR HG22 H 1 1.016 0.030 . 1 . . . . 85 THR HG2 . 10266 1 1000 . 1 1 85 85 THR HG23 H 1 1.016 0.030 . 1 . . . . 85 THR HG2 . 10266 1 1001 . 1 1 85 85 THR C C 13 176.429 0.300 . 1 . . . . 85 THR C . 10266 1 1002 . 1 1 85 85 THR CA C 13 59.958 0.300 . 1 . . . . 85 THR CA . 10266 1 1003 . 1 1 85 85 THR CB C 13 72.646 0.300 . 1 . . . . 85 THR CB . 10266 1 1004 . 1 1 85 85 THR CG2 C 13 21.690 0.300 . 1 . . . . 85 THR CG2 . 10266 1 1005 . 1 1 85 85 THR N N 15 111.404 0.300 . 1 . . . . 85 THR N . 10266 1 1006 . 1 1 86 86 SER H H 1 9.765 0.030 . 1 . . . . 86 SER H . 10266 1 1007 . 1 1 86 86 SER HA H 1 4.242 0.030 . 1 . . . . 86 SER HA . 10266 1 1008 . 1 1 86 86 SER HB2 H 1 4.076 0.030 . 2 . . . . 86 SER HB2 . 10266 1 1009 . 1 1 86 86 SER HB3 H 1 3.951 0.030 . 2 . . . . 86 SER HB3 . 10266 1 1010 . 1 1 86 86 SER C C 13 174.834 0.300 . 1 . . . . 86 SER C . 10266 1 1011 . 1 1 86 86 SER CA C 13 61.014 0.300 . 1 . . . . 86 SER CA . 10266 1 1012 . 1 1 86 86 SER CB C 13 62.807 0.300 . 1 . . . . 86 SER CB . 10266 1 1013 . 1 1 86 86 SER N N 15 115.745 0.300 . 1 . . . . 86 SER N . 10266 1 1014 . 1 1 87 87 LYS H H 1 7.947 0.030 . 1 . . . . 87 LYS H . 10266 1 1015 . 1 1 87 87 LYS HA H 1 4.426 0.030 . 1 . . . . 87 LYS HA . 10266 1 1016 . 1 1 87 87 LYS HB2 H 1 1.840 0.030 . 2 . . . . 87 LYS HB2 . 10266 1 1017 . 1 1 87 87 LYS HB3 H 1 1.472 0.030 . 2 . . . . 87 LYS HB3 . 10266 1 1018 . 1 1 87 87 LYS HD2 H 1 1.647 0.030 . 1 . . . . 87 LYS HD2 . 10266 1 1019 . 1 1 87 87 LYS HD3 H 1 1.647 0.030 . 1 . . . . 87 LYS HD3 . 10266 1 1020 . 1 1 87 87 LYS HE2 H 1 2.979 0.030 . 1 . . . . 87 LYS HE2 . 10266 1 1021 . 1 1 87 87 LYS HE3 H 1 2.979 0.030 . 1 . . . . 87 LYS HE3 . 10266 1 1022 . 1 1 87 87 LYS HG2 H 1 1.474 0.030 . 2 . . . . 87 LYS HG2 . 10266 1 1023 . 1 1 87 87 LYS HG3 H 1 1.353 0.030 . 2 . . . . 87 LYS HG3 . 10266 1 1024 . 1 1 87 87 LYS C C 13 176.373 0.300 . 1 . . . . 87 LYS C . 10266 1 1025 . 1 1 87 87 LYS CA C 13 55.857 0.300 . 1 . . . . 87 LYS CA . 10266 1 1026 . 1 1 87 87 LYS CB C 13 33.386 0.300 . 1 . . . . 87 LYS CB . 10266 1 1027 . 1 1 87 87 LYS CD C 13 28.549 0.300 . 1 . . . . 87 LYS CD . 10266 1 1028 . 1 1 87 87 LYS CE C 13 42.280 0.300 . 1 . . . . 87 LYS CE . 10266 1 1029 . 1 1 87 87 LYS CG C 13 25.218 0.300 . 1 . . . . 87 LYS CG . 10266 1 1030 . 1 1 87 87 LYS N N 15 118.254 0.300 . 1 . . . . 87 LYS N . 10266 1 1031 . 1 1 88 88 GLY H H 1 7.400 0.030 . 1 . . . . 88 GLY H . 10266 1 1032 . 1 1 88 88 GLY HA2 H 1 4.446 0.030 . 2 . . . . 88 GLY HA2 . 10266 1 1033 . 1 1 88 88 GLY HA3 H 1 3.990 0.030 . 2 . . . . 88 GLY HA3 . 10266 1 1034 . 1 1 88 88 GLY C C 13 171.366 0.300 . 1 . . . . 88 GLY C . 10266 1 1035 . 1 1 88 88 GLY CA C 13 45.006 0.300 . 1 . . . . 88 GLY CA . 10266 1 1036 . 1 1 88 88 GLY N N 15 106.086 0.300 . 1 . . . . 88 GLY N . 10266 1 1037 . 1 1 89 89 SER H H 1 8.048 0.030 . 1 . . . . 89 SER H . 10266 1 1038 . 1 1 89 89 SER HA H 1 3.899 0.030 . 1 . . . . 89 SER HA . 10266 1 1039 . 1 1 89 89 SER HB2 H 1 2.618 0.030 . 2 . . . . 89 SER HB2 . 10266 1 1040 . 1 1 89 89 SER HB3 H 1 1.340 0.030 . 2 . . . . 89 SER HB3 . 10266 1 1041 . 1 1 89 89 SER CA C 13 56.522 0.300 . 1 . . . . 89 SER CA . 10266 1 1042 . 1 1 89 89 SER CB C 13 63.965 0.300 . 1 . . . . 89 SER CB . 10266 1 1043 . 1 1 89 89 SER N N 15 113.549 0.300 . 1 . . . . 89 SER N . 10266 1 1044 . 1 1 90 90 GLY H H 1 8.282 0.030 . 1 . . . . 90 GLY H . 10266 1 1045 . 1 1 90 90 GLY HA2 H 1 4.637 0.030 . 2 . . . . 90 GLY HA2 . 10266 1 1046 . 1 1 90 90 GLY HA3 H 1 3.696 0.030 . 2 . . . . 90 GLY HA3 . 10266 1 1047 . 1 1 90 90 GLY CA C 13 44.399 0.300 . 1 . . . . 90 GLY CA . 10266 1 1048 . 1 1 90 90 GLY N N 15 109.030 0.300 . 1 . . . . 90 GLY N . 10266 1 1049 . 1 1 91 91 PRO HA H 1 4.448 0.030 . 1 . . . . 91 PRO HA . 10266 1 1050 . 1 1 91 91 PRO HB2 H 1 2.296 0.030 . 2 . . . . 91 PRO HB2 . 10266 1 1051 . 1 1 91 91 PRO HB3 H 1 1.953 0.030 . 2 . . . . 91 PRO HB3 . 10266 1 1052 . 1 1 91 91 PRO HD2 H 1 3.415 0.030 . 2 . . . . 91 PRO HD2 . 10266 1 1053 . 1 1 91 91 PRO HD3 H 1 3.244 0.030 . 2 . . . . 91 PRO HD3 . 10266 1 1054 . 1 1 91 91 PRO HG2 H 1 1.982 0.030 . 2 . . . . 91 PRO HG2 . 10266 1 1055 . 1 1 91 91 PRO HG3 H 1 1.690 0.030 . 2 . . . . 91 PRO HG3 . 10266 1 1056 . 1 1 91 91 PRO C C 13 177.760 0.300 . 1 . . . . 91 PRO C . 10266 1 1057 . 1 1 91 91 PRO CA C 13 62.229 0.300 . 1 . . . . 91 PRO CA . 10266 1 1058 . 1 1 91 91 PRO CB C 13 32.367 0.300 . 1 . . . . 91 PRO CB . 10266 1 1059 . 1 1 91 91 PRO CD C 13 49.612 0.300 . 1 . . . . 91 PRO CD . 10266 1 1060 . 1 1 91 91 PRO CG C 13 27.127 0.300 . 1 . . . . 91 PRO CG . 10266 1 1061 . 1 1 92 92 LEU H H 1 8.373 0.030 . 1 . . . . 92 LEU H . 10266 1 1062 . 1 1 92 92 LEU HA H 1 4.110 0.030 . 1 . . . . 92 LEU HA . 10266 1 1063 . 1 1 92 92 LEU HB2 H 1 1.563 0.030 . 2 . . . . 92 LEU HB2 . 10266 1 1064 . 1 1 92 92 LEU HB3 H 1 1.370 0.030 . 2 . . . . 92 LEU HB3 . 10266 1 1065 . 1 1 92 92 LEU HD11 H 1 0.834 0.030 . 1 . . . . 92 LEU HD1 . 10266 1 1066 . 1 1 92 92 LEU HD12 H 1 0.834 0.030 . 1 . . . . 92 LEU HD1 . 10266 1 1067 . 1 1 92 92 LEU HD13 H 1 0.834 0.030 . 1 . . . . 92 LEU HD1 . 10266 1 1068 . 1 1 92 92 LEU HD21 H 1 0.673 0.030 . 1 . . . . 92 LEU HD2 . 10266 1 1069 . 1 1 92 92 LEU HD22 H 1 0.673 0.030 . 1 . . . . 92 LEU HD2 . 10266 1 1070 . 1 1 92 92 LEU HD23 H 1 0.673 0.030 . 1 . . . . 92 LEU HD2 . 10266 1 1071 . 1 1 92 92 LEU HG H 1 1.416 0.030 . 1 . . . . 92 LEU HG . 10266 1 1072 . 1 1 92 92 LEU C C 13 176.841 0.300 . 1 . . . . 92 LEU C . 10266 1 1073 . 1 1 92 92 LEU CA C 13 55.163 0.300 . 1 . . . . 92 LEU CA . 10266 1 1074 . 1 1 92 92 LEU CB C 13 43.188 0.300 . 1 . . . . 92 LEU CB . 10266 1 1075 . 1 1 92 92 LEU CD1 C 13 25.867 0.300 . 2 . . . . 92 LEU CD1 . 10266 1 1076 . 1 1 92 92 LEU CD2 C 13 24.820 0.300 . 2 . . . . 92 LEU CD2 . 10266 1 1077 . 1 1 92 92 LEU CG C 13 27.294 0.300 . 1 . . . . 92 LEU CG . 10266 1 1078 . 1 1 92 92 LEU N N 15 121.096 0.300 . 1 . . . . 92 LEU N . 10266 1 1079 . 1 1 93 93 SER H H 1 8.629 0.030 . 1 . . . . 93 SER H . 10266 1 1080 . 1 1 93 93 SER HA H 1 3.683 0.030 . 1 . . . . 93 SER HA . 10266 1 1081 . 1 1 93 93 SER HB2 H 1 4.141 0.030 . 2 . . . . 93 SER HB2 . 10266 1 1082 . 1 1 93 93 SER HB3 H 1 3.870 0.030 . 2 . . . . 93 SER HB3 . 10266 1 1083 . 1 1 93 93 SER C C 13 171.637 0.300 . 1 . . . . 93 SER C . 10266 1 1084 . 1 1 93 93 SER CA C 13 56.900 0.300 . 1 . . . . 93 SER CA . 10266 1 1085 . 1 1 93 93 SER CB C 13 62.923 0.300 . 1 . . . . 93 SER CB . 10266 1 1086 . 1 1 93 93 SER N N 15 116.072 0.300 . 1 . . . . 93 SER N . 10266 1 1087 . 1 1 94 94 PRO HA H 1 4.330 0.030 . 1 . . . . 94 PRO HA . 10266 1 1088 . 1 1 94 94 PRO HB2 H 1 2.286 0.030 . 2 . . . . 94 PRO HB2 . 10266 1 1089 . 1 1 94 94 PRO HB3 H 1 1.669 0.030 . 2 . . . . 94 PRO HB3 . 10266 1 1090 . 1 1 94 94 PRO HD2 H 1 2.855 0.030 . 2 . . . . 94 PRO HD2 . 10266 1 1091 . 1 1 94 94 PRO HD3 H 1 1.912 0.030 . 2 . . . . 94 PRO HD3 . 10266 1 1092 . 1 1 94 94 PRO HG2 H 1 1.898 0.030 . 2 . . . . 94 PRO HG2 . 10266 1 1093 . 1 1 94 94 PRO HG3 H 1 1.641 0.030 . 2 . . . . 94 PRO HG3 . 10266 1 1094 . 1 1 94 94 PRO C C 13 178.093 0.300 . 1 . . . . 94 PRO C . 10266 1 1095 . 1 1 94 94 PRO CA C 13 63.309 0.300 . 1 . . . . 94 PRO CA . 10266 1 1096 . 1 1 94 94 PRO CB C 13 31.463 0.300 . 1 . . . . 94 PRO CB . 10266 1 1097 . 1 1 94 94 PRO CD C 13 49.383 0.300 . 1 . . . . 94 PRO CD . 10266 1 1098 . 1 1 94 94 PRO CG C 13 27.720 0.300 . 1 . . . . 94 PRO CG . 10266 1 1099 . 1 1 95 95 SER H H 1 8.722 0.030 . 1 . . . . 95 SER H . 10266 1 1100 . 1 1 95 95 SER HA H 1 4.923 0.030 . 1 . . . . 95 SER HA . 10266 1 1101 . 1 1 95 95 SER HB2 H 1 3.695 0.030 . 2 . . . . 95 SER HB2 . 10266 1 1102 . 1 1 95 95 SER HB3 H 1 3.644 0.030 . 2 . . . . 95 SER HB3 . 10266 1 1103 . 1 1 95 95 SER C C 13 176.215 0.300 . 1 . . . . 95 SER C . 10266 1 1104 . 1 1 95 95 SER CA C 13 58.955 0.300 . 1 . . . . 95 SER CA . 10266 1 1105 . 1 1 95 95 SER CB C 13 64.884 0.300 . 1 . . . . 95 SER CB . 10266 1 1106 . 1 1 95 95 SER N N 15 122.184 0.300 . 1 . . . . 95 SER N . 10266 1 1107 . 1 1 96 96 ILE H H 1 8.915 0.030 . 1 . . . . 96 ILE H . 10266 1 1108 . 1 1 96 96 ILE HA H 1 4.609 0.030 . 1 . . . . 96 ILE HA . 10266 1 1109 . 1 1 96 96 ILE HB H 1 1.878 0.030 . 1 . . . . 96 ILE HB . 10266 1 1110 . 1 1 96 96 ILE HD11 H 1 0.732 0.030 . 1 . . . . 96 ILE HD1 . 10266 1 1111 . 1 1 96 96 ILE HD12 H 1 0.732 0.030 . 1 . . . . 96 ILE HD1 . 10266 1 1112 . 1 1 96 96 ILE HD13 H 1 0.732 0.030 . 1 . . . . 96 ILE HD1 . 10266 1 1113 . 1 1 96 96 ILE HG12 H 1 1.184 0.030 . 2 . . . . 96 ILE HG12 . 10266 1 1114 . 1 1 96 96 ILE HG13 H 1 0.917 0.030 . 2 . . . . 96 ILE HG13 . 10266 1 1115 . 1 1 96 96 ILE HG21 H 1 0.916 0.030 . 1 . . . . 96 ILE HG2 . 10266 1 1116 . 1 1 96 96 ILE HG22 H 1 0.916 0.030 . 1 . . . . 96 ILE HG2 . 10266 1 1117 . 1 1 96 96 ILE HG23 H 1 0.916 0.030 . 1 . . . . 96 ILE HG2 . 10266 1 1118 . 1 1 96 96 ILE C C 13 174.546 0.300 . 1 . . . . 96 ILE C . 10266 1 1119 . 1 1 96 96 ILE CA C 13 59.782 0.300 . 1 . . . . 96 ILE CA . 10266 1 1120 . 1 1 96 96 ILE CB C 13 40.995 0.300 . 1 . . . . 96 ILE CB . 10266 1 1121 . 1 1 96 96 ILE CD1 C 13 15.043 0.300 . 1 . . . . 96 ILE CD1 . 10266 1 1122 . 1 1 96 96 ILE CG1 C 13 26.191 0.300 . 1 . . . . 96 ILE CG1 . 10266 1 1123 . 1 1 96 96 ILE CG2 C 13 17.701 0.300 . 1 . . . . 96 ILE CG2 . 10266 1 1124 . 1 1 96 96 ILE N N 15 115.463 0.300 . 1 . . . . 96 ILE N . 10266 1 1125 . 1 1 97 97 GLN H H 1 8.292 0.030 . 1 . . . . 97 GLN H . 10266 1 1126 . 1 1 97 97 GLN HA H 1 5.849 0.030 . 1 . . . . 97 GLN HA . 10266 1 1127 . 1 1 97 97 GLN HB2 H 1 1.940 0.030 . 2 . . . . 97 GLN HB2 . 10266 1 1128 . 1 1 97 97 GLN HB3 H 1 1.672 0.030 . 2 . . . . 97 GLN HB3 . 10266 1 1129 . 1 1 97 97 GLN HE21 H 1 7.738 0.030 . 2 . . . . 97 GLN HE21 . 10266 1 1130 . 1 1 97 97 GLN HE22 H 1 6.623 0.030 . 2 . . . . 97 GLN HE22 . 10266 1 1131 . 1 1 97 97 GLN HG2 H 1 2.341 0.030 . 2 . . . . 97 GLN HG2 . 10266 1 1132 . 1 1 97 97 GLN HG3 H 1 2.282 0.030 . 2 . . . . 97 GLN HG3 . 10266 1 1133 . 1 1 97 97 GLN C C 13 176.173 0.300 . 1 . . . . 97 GLN C . 10266 1 1134 . 1 1 97 97 GLN CA C 13 54.361 0.300 . 1 . . . . 97 GLN CA . 10266 1 1135 . 1 1 97 97 GLN CB C 13 31.102 0.300 . 1 . . . . 97 GLN CB . 10266 1 1136 . 1 1 97 97 GLN CG C 13 34.604 0.300 . 1 . . . . 97 GLN CG . 10266 1 1137 . 1 1 97 97 GLN N N 15 117.686 0.300 . 1 . . . . 97 GLN N . 10266 1 1138 . 1 1 97 97 GLN NE2 N 15 111.887 0.300 . 1 . . . . 97 GLN NE2 . 10266 1 1139 . 1 1 98 98 SER H H 1 8.751 0.030 . 1 . . . . 98 SER H . 10266 1 1140 . 1 1 98 98 SER HA H 1 4.618 0.030 . 1 . . . . 98 SER HA . 10266 1 1141 . 1 1 98 98 SER HB2 H 1 3.506 0.030 . 2 . . . . 98 SER HB2 . 10266 1 1142 . 1 1 98 98 SER HB3 H 1 3.414 0.030 . 2 . . . . 98 SER HB3 . 10266 1 1143 . 1 1 98 98 SER C C 13 172.310 0.300 . 1 . . . . 98 SER C . 10266 1 1144 . 1 1 98 98 SER CA C 13 57.019 0.300 . 1 . . . . 98 SER CA . 10266 1 1145 . 1 1 98 98 SER CB C 13 64.588 0.300 . 1 . . . . 98 SER CB . 10266 1 1146 . 1 1 98 98 SER N N 15 115.969 0.300 . 1 . . . . 98 SER N . 10266 1 1147 . 1 1 99 99 ARG H H 1 8.519 0.030 . 1 . . . . 99 ARG H . 10266 1 1148 . 1 1 99 99 ARG HA H 1 5.627 0.030 . 1 . . . . 99 ARG HA . 10266 1 1149 . 1 1 99 99 ARG HB2 H 1 1.748 0.030 . 2 . . . . 99 ARG HB2 . 10266 1 1150 . 1 1 99 99 ARG HB3 H 1 1.535 0.030 . 2 . . . . 99 ARG HB3 . 10266 1 1151 . 1 1 99 99 ARG HD2 H 1 2.991 0.030 . 2 . . . . 99 ARG HD2 . 10266 1 1152 . 1 1 99 99 ARG HD3 H 1 2.968 0.030 . 2 . . . . 99 ARG HD3 . 10266 1 1153 . 1 1 99 99 ARG HE H 1 6.750 0.030 . 1 . . . . 99 ARG HE . 10266 1 1154 . 1 1 99 99 ARG HG2 H 1 1.831 0.030 . 2 . . . . 99 ARG HG2 . 10266 1 1155 . 1 1 99 99 ARG HG3 H 1 1.226 0.030 . 2 . . . . 99 ARG HG3 . 10266 1 1156 . 1 1 99 99 ARG C C 13 176.394 0.300 . 1 . . . . 99 ARG C . 10266 1 1157 . 1 1 99 99 ARG CA C 13 53.705 0.300 . 1 . . . . 99 ARG CA . 10266 1 1158 . 1 1 99 99 ARG CB C 13 32.853 0.300 . 1 . . . . 99 ARG CB . 10266 1 1159 . 1 1 99 99 ARG CD C 13 44.024 0.300 . 1 . . . . 99 ARG CD . 10266 1 1160 . 1 1 99 99 ARG CG C 13 27.158 0.300 . 1 . . . . 99 ARG CG . 10266 1 1161 . 1 1 99 99 ARG N N 15 132.343 0.300 . 1 . . . . 99 ARG N . 10266 1 1162 . 1 1 99 99 ARG NE N 15 85.875 0.300 . 1 . . . . 99 ARG NE . 10266 1 1163 . 1 1 100 100 THR H H 1 8.808 0.030 . 1 . . . . 100 THR H . 10266 1 1164 . 1 1 100 100 THR HA H 1 4.182 0.030 . 1 . . . . 100 THR HA . 10266 1 1165 . 1 1 100 100 THR HB H 1 4.745 0.030 . 1 . . . . 100 THR HB . 10266 1 1166 . 1 1 100 100 THR HG21 H 1 1.115 0.030 . 1 . . . . 100 THR HG2 . 10266 1 1167 . 1 1 100 100 THR HG22 H 1 1.115 0.030 . 1 . . . . 100 THR HG2 . 10266 1 1168 . 1 1 100 100 THR HG23 H 1 1.115 0.030 . 1 . . . . 100 THR HG2 . 10266 1 1169 . 1 1 100 100 THR C C 13 175.465 0.300 . 1 . . . . 100 THR C . 10266 1 1170 . 1 1 100 100 THR CA C 13 61.701 0.300 . 1 . . . . 100 THR CA . 10266 1 1171 . 1 1 100 100 THR CB C 13 69.515 0.300 . 1 . . . . 100 THR CB . 10266 1 1172 . 1 1 100 100 THR CG2 C 13 25.083 0.300 . 1 . . . . 100 THR CG2 . 10266 1 1173 . 1 1 100 100 THR N N 15 116.147 0.300 . 1 . . . . 100 THR N . 10266 1 1174 . 1 1 101 101 MET H H 1 7.254 0.030 . 1 . . . . 101 MET H . 10266 1 1175 . 1 1 101 101 MET HA H 1 4.504 0.030 . 1 . . . . 101 MET HA . 10266 1 1176 . 1 1 101 101 MET HB2 H 1 2.547 0.030 . 2 . . . . 101 MET HB2 . 10266 1 1177 . 1 1 101 101 MET HB3 H 1 2.455 0.030 . 2 . . . . 101 MET HB3 . 10266 1 1178 . 1 1 101 101 MET HE1 H 1 2.126 0.030 . 1 . . . . 101 MET HE . 10266 1 1179 . 1 1 101 101 MET HE2 H 1 2.126 0.030 . 1 . . . . 101 MET HE . 10266 1 1180 . 1 1 101 101 MET HE3 H 1 2.126 0.030 . 1 . . . . 101 MET HE . 10266 1 1181 . 1 1 101 101 MET HG2 H 1 2.261 0.030 . 2 . . . . 101 MET HG2 . 10266 1 1182 . 1 1 101 101 MET HG3 H 1 1.379 0.030 . 2 . . . . 101 MET HG3 . 10266 1 1183 . 1 1 101 101 MET C C 13 174.574 0.300 . 1 . . . . 101 MET C . 10266 1 1184 . 1 1 101 101 MET CA C 13 54.324 0.300 . 1 . . . . 101 MET CA . 10266 1 1185 . 1 1 101 101 MET CB C 13 32.235 0.300 . 1 . . . . 101 MET CB . 10266 1 1186 . 1 1 101 101 MET CE C 13 17.187 0.300 . 1 . . . . 101 MET CE . 10266 1 1187 . 1 1 101 101 MET CG C 13 32.330 0.300 . 1 . . . . 101 MET CG . 10266 1 1188 . 1 1 101 101 MET N N 15 117.475 0.300 . 1 . . . . 101 MET N . 10266 1 1189 . 1 1 102 102 PRO HA H 1 4.647 0.030 . 1 . . . . 102 PRO HA . 10266 1 1190 . 1 1 102 102 PRO HB2 H 1 2.078 0.030 . 2 . . . . 102 PRO HB2 . 10266 1 1191 . 1 1 102 102 PRO HB3 H 1 2.004 0.030 . 2 . . . . 102 PRO HB3 . 10266 1 1192 . 1 1 102 102 PRO HD2 H 1 3.921 0.030 . 2 . . . . 102 PRO HD2 . 10266 1 1193 . 1 1 102 102 PRO HD3 H 1 3.631 0.030 . 2 . . . . 102 PRO HD3 . 10266 1 1194 . 1 1 102 102 PRO HG2 H 1 1.997 0.030 . 1 . . . . 102 PRO HG2 . 10266 1 1195 . 1 1 102 102 PRO HG3 H 1 1.997 0.030 . 1 . . . . 102 PRO HG3 . 10266 1 1196 . 1 1 102 102 PRO CA C 13 62.553 0.300 . 1 . . . . 102 PRO CA . 10266 1 1197 . 1 1 102 102 PRO CB C 13 32.011 0.300 . 1 . . . . 102 PRO CB . 10266 1 1198 . 1 1 102 102 PRO CD C 13 49.821 0.300 . 1 . . . . 102 PRO CD . 10266 1 1199 . 1 1 102 102 PRO CG C 13 26.937 0.300 . 1 . . . . 102 PRO CG . 10266 1 1200 . 1 1 103 103 VAL H H 1 7.823 0.030 . 1 . . . . 103 VAL H . 10266 1 1201 . 1 1 103 103 VAL HA H 1 3.898 0.030 . 1 . . . . 103 VAL HA . 10266 1 1202 . 1 1 103 103 VAL HB H 1 2.030 0.030 . 1 . . . . 103 VAL HB . 10266 1 1203 . 1 1 103 103 VAL HG11 H 1 0.935 0.030 . 1 . . . . 103 VAL HG1 . 10266 1 1204 . 1 1 103 103 VAL HG12 H 1 0.935 0.030 . 1 . . . . 103 VAL HG1 . 10266 1 1205 . 1 1 103 103 VAL HG13 H 1 0.935 0.030 . 1 . . . . 103 VAL HG1 . 10266 1 1206 . 1 1 103 103 VAL HG21 H 1 0.928 0.030 . 1 . . . . 103 VAL HG2 . 10266 1 1207 . 1 1 103 103 VAL HG22 H 1 0.928 0.030 . 1 . . . . 103 VAL HG2 . 10266 1 1208 . 1 1 103 103 VAL HG23 H 1 0.928 0.030 . 1 . . . . 103 VAL HG2 . 10266 1 1209 . 1 1 103 103 VAL CA C 13 64.201 0.300 . 1 . . . . 103 VAL CA . 10266 1 1210 . 1 1 103 103 VAL CB C 13 32.565 0.300 . 1 . . . . 103 VAL CB . 10266 1 1211 . 1 1 103 103 VAL CG1 C 13 21.577 0.300 . 2 . . . . 103 VAL CG1 . 10266 1 1212 . 1 1 103 103 VAL CG2 C 13 20.863 0.300 . 2 . . . . 103 VAL CG2 . 10266 1 1213 . 1 1 103 103 VAL N N 15 121.205 0.300 . 1 . . . . 103 VAL N . 10266 1 stop_ save_