data_10195 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10195 _Entry.Title ; Solution structure of the second SH3 domain of human Vinexin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-19 _Entry.Accession_date 2008-02-19 _Entry.Last_release_date 2009-02-27 _Entry.Original_release_date 2009-02-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Abe . . . 10195 2 N. Tochio . . . 10195 3 K. Miyamoto . . . 10195 4 K. Saito . . . 10195 5 A. Sasagawa . . . 10195 6 S. Koshiba . . . 10195 7 M. Inoue . . . 10195 8 T. Kigawa . . . 10195 9 S. Yokoyama . . . 10195 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' 10195 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10195 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 10195 '15N chemical shifts' 82 10195 '1H chemical shifts' 571 10195 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-02-27 2008-02-19 original author . 10195 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUP 'BMRB Entry Tracking System' 10195 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10195 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the second SH3 domain of human Vinexin' _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 H. Abe . . . 10195 1 2 N. Tochio . . . 10195 1 3 K. Miyamoto . . . 10195 1 4 K. Saito . . . 10195 1 5 A. Sasagawa . . . 10195 1 6 S. Koshiba . . . 10195 1 7 M. Inoue . . . 10195 1 8 T. Kigawa . . . 10195 1 9 S. Yokoyama . . . 10195 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10195 _Assembly.ID 1 _Assembly.Name Vinexin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 . . yes native no no . . . 10195 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 2YUP . . . . . . 10195 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10195 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; GSSGSSGKPPTYQVLEYGEA VAQYTFKGDLEVELSFRKGE HICLIRKVNENWYEGRITGT GRQGIFPASYVQVSREPRLR LCDDSGPSSG ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2YUP . "Solution Structure Of The Second Sh3 Domain Of Human Vinexin" . . . . . 100.00 90 100.00 100.00 3.20e-58 . . . . 10195 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10195 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 . 10195 1 2 . SER . 10195 1 3 . SER . 10195 1 4 . GLY . 10195 1 5 . SER . 10195 1 6 . SER . 10195 1 7 . GLY . 10195 1 8 . LYS . 10195 1 9 . PRO . 10195 1 10 . PRO . 10195 1 11 . THR . 10195 1 12 . TYR . 10195 1 13 . GLN . 10195 1 14 . VAL . 10195 1 15 . LEU . 10195 1 16 . GLU . 10195 1 17 . TYR . 10195 1 18 . GLY . 10195 1 19 . GLU . 10195 1 20 . ALA . 10195 1 21 . VAL . 10195 1 22 . ALA . 10195 1 23 . GLN . 10195 1 24 . TYR . 10195 1 25 . THR . 10195 1 26 . PHE . 10195 1 27 . LYS . 10195 1 28 . GLY . 10195 1 29 . ASP . 10195 1 30 . LEU . 10195 1 31 . GLU . 10195 1 32 . VAL . 10195 1 33 . GLU . 10195 1 34 . LEU . 10195 1 35 . SER . 10195 1 36 . PHE . 10195 1 37 . ARG . 10195 1 38 . LYS . 10195 1 39 . GLY . 10195 1 40 . GLU . 10195 1 41 . HIS . 10195 1 42 . ILE . 10195 1 43 . CYS . 10195 1 44 . LEU . 10195 1 45 . ILE . 10195 1 46 . ARG . 10195 1 47 . LYS . 10195 1 48 . VAL . 10195 1 49 . ASN . 10195 1 50 . GLU . 10195 1 51 . ASN . 10195 1 52 . TRP . 10195 1 53 . TYR . 10195 1 54 . GLU . 10195 1 55 . GLY . 10195 1 56 . ARG . 10195 1 57 . ILE . 10195 1 58 . THR . 10195 1 59 . GLY . 10195 1 60 . THR . 10195 1 61 . GLY . 10195 1 62 . ARG . 10195 1 63 . GLN . 10195 1 64 . GLY . 10195 1 65 . ILE . 10195 1 66 . PHE . 10195 1 67 . PRO . 10195 1 68 . ALA . 10195 1 69 . SER . 10195 1 70 . TYR . 10195 1 71 . VAL . 10195 1 72 . GLN . 10195 1 73 . VAL . 10195 1 74 . SER . 10195 1 75 . ARG . 10195 1 76 . GLU . 10195 1 77 . PRO . 10195 1 78 . ARG . 10195 1 79 . LEU . 10195 1 80 . ARG . 10195 1 81 . LEU . 10195 1 82 . CYS . 10195 1 83 . ASP . 10195 1 84 . ASP . 10195 1 85 . SER . 10195 1 86 . GLY . 10195 1 87 . PRO . 10195 1 88 . SER . 10195 1 89 . SER . 10195 1 90 . GLY . 10195 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 10195 1 . SER 2 2 10195 1 . SER 3 3 10195 1 . GLY 4 4 10195 1 . SER 5 5 10195 1 . SER 6 6 10195 1 . GLY 7 7 10195 1 . LYS 8 8 10195 1 . PRO 9 9 10195 1 . PRO 10 10 10195 1 . THR 11 11 10195 1 . TYR 12 12 10195 1 . GLN 13 13 10195 1 . VAL 14 14 10195 1 . LEU 15 15 10195 1 . GLU 16 16 10195 1 . TYR 17 17 10195 1 . GLY 18 18 10195 1 . GLU 19 19 10195 1 . ALA 20 20 10195 1 . VAL 21 21 10195 1 . ALA 22 22 10195 1 . GLN 23 23 10195 1 . TYR 24 24 10195 1 . THR 25 25 10195 1 . PHE 26 26 10195 1 . LYS 27 27 10195 1 . GLY 28 28 10195 1 . ASP 29 29 10195 1 . LEU 30 30 10195 1 . GLU 31 31 10195 1 . VAL 32 32 10195 1 . GLU 33 33 10195 1 . LEU 34 34 10195 1 . SER 35 35 10195 1 . PHE 36 36 10195 1 . ARG 37 37 10195 1 . LYS 38 38 10195 1 . GLY 39 39 10195 1 . GLU 40 40 10195 1 . HIS 41 41 10195 1 . ILE 42 42 10195 1 . CYS 43 43 10195 1 . LEU 44 44 10195 1 . ILE 45 45 10195 1 . ARG 46 46 10195 1 . LYS 47 47 10195 1 . VAL 48 48 10195 1 . ASN 49 49 10195 1 . GLU 50 50 10195 1 . ASN 51 51 10195 1 . TRP 52 52 10195 1 . TYR 53 53 10195 1 . GLU 54 54 10195 1 . GLY 55 55 10195 1 . ARG 56 56 10195 1 . ILE 57 57 10195 1 . THR 58 58 10195 1 . GLY 59 59 10195 1 . THR 60 60 10195 1 . GLY 61 61 10195 1 . ARG 62 62 10195 1 . GLN 63 63 10195 1 . GLY 64 64 10195 1 . ILE 65 65 10195 1 . PHE 66 66 10195 1 . PRO 67 67 10195 1 . ALA 68 68 10195 1 . SER 69 69 10195 1 . TYR 70 70 10195 1 . VAL 71 71 10195 1 . GLN 72 72 10195 1 . VAL 73 73 10195 1 . SER 74 74 10195 1 . ARG 75 75 10195 1 . GLU 76 76 10195 1 . PRO 77 77 10195 1 . ARG 78 78 10195 1 . LEU 79 79 10195 1 . ARG 80 80 10195 1 . LEU 81 81 10195 1 . CYS 82 82 10195 1 . ASP 83 83 10195 1 . ASP 84 84 10195 1 . SER 85 85 10195 1 . GLY 86 86 10195 1 . PRO 87 87 10195 1 . SER 88 88 10195 1 . SER 89 89 10195 1 . GLY 90 90 10195 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 10195 _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 . . . . . . . . . . . . . . . . . . . . . 10195 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 10195 _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 . . P050627-09 . . . . . . 10195 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10195 _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.00 . . mM . . . . 10195 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10195 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10195 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10195 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10195 1 6 H2O . . . . . . solvent 90 . . % . . . . 10195 1 7 D2O . . . . . . solvent 10 . . % . . . . 10195 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 10195 _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 10195 1 pH 7.0 0.05 pH 10195 1 pressure 1 0.001 atm 10195 1 temperature 298 0.1 K 10195 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10195 _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 . . 10195 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10195 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10195 _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' . . 10195 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10195 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10195 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10195 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10195 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10195 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10195 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10195 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10195 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10195 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10195 5 'structure solution' 10195 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 10195 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10195 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10195 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 10195 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10195 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10195 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 10195 _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 . . . . . . . . . 10195 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10195 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10195 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 10195 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10195 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10195 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY CA C 13 45.146 0.300 . 1 . . . . 7 GLY CA . 10195 1 2 . 1 1 7 7 GLY HA2 H 1 3.966 0.030 . 1 . . . . 7 GLY HA2 . 10195 1 3 . 1 1 7 7 GLY HA3 H 1 3.966 0.030 . 1 . . . . 7 GLY HA3 . 10195 1 4 . 1 1 7 7 GLY C C 13 173.687 0.300 . 1 . . . . 7 GLY C . 10195 1 5 . 1 1 8 8 LYS N N 15 122.140 0.300 . 1 . . . . 8 LYS N . 10195 1 6 . 1 1 8 8 LYS H H 1 8.107 0.030 . 1 . . . . 8 LYS H . 10195 1 7 . 1 1 8 8 LYS CA C 13 54.053 0.300 . 1 . . . . 8 LYS CA . 10195 1 8 . 1 1 8 8 LYS HA H 1 4.620 0.030 . 1 . . . . 8 LYS HA . 10195 1 9 . 1 1 8 8 LYS CB C 13 32.649 0.300 . 1 . . . . 8 LYS CB . 10195 1 10 . 1 1 8 8 LYS HB2 H 1 1.792 0.030 . 2 . . . . 8 LYS HB2 . 10195 1 11 . 1 1 8 8 LYS HB3 H 1 1.685 0.030 . 2 . . . . 8 LYS HB3 . 10195 1 12 . 1 1 8 8 LYS CG C 13 24.468 0.300 . 1 . . . . 8 LYS CG . 10195 1 13 . 1 1 8 8 LYS HG2 H 1 1.436 0.030 . 1 . . . . 8 LYS HG2 . 10195 1 14 . 1 1 8 8 LYS HG3 H 1 1.436 0.030 . 1 . . . . 8 LYS HG3 . 10195 1 15 . 1 1 8 8 LYS CD C 13 29.072 0.300 . 1 . . . . 8 LYS CD . 10195 1 16 . 1 1 8 8 LYS HD2 H 1 1.664 0.030 . 1 . . . . 8 LYS HD2 . 10195 1 17 . 1 1 8 8 LYS HD3 H 1 1.664 0.030 . 1 . . . . 8 LYS HD3 . 10195 1 18 . 1 1 8 8 LYS CE C 13 42.173 0.300 . 1 . . . . 8 LYS CE . 10195 1 19 . 1 1 8 8 LYS HE2 H 1 2.986 0.030 . 1 . . . . 8 LYS HE2 . 10195 1 20 . 1 1 8 8 LYS HE3 H 1 2.986 0.030 . 1 . . . . 8 LYS HE3 . 10195 1 21 . 1 1 8 8 LYS C C 13 174.270 0.300 . 1 . . . . 8 LYS C . 10195 1 22 . 1 1 9 9 PRO CA C 13 61.632 0.300 . 1 . . . . 9 PRO CA . 10195 1 23 . 1 1 9 9 PRO HA H 1 4.687 0.030 . 1 . . . . 9 PRO HA . 10195 1 24 . 1 1 9 9 PRO CB C 13 30.855 0.300 . 1 . . . . 9 PRO CB . 10195 1 25 . 1 1 9 9 PRO HB2 H 1 2.350 0.030 . 2 . . . . 9 PRO HB2 . 10195 1 26 . 1 1 9 9 PRO HB3 H 1 1.897 0.030 . 2 . . . . 9 PRO HB3 . 10195 1 27 . 1 1 9 9 PRO CG C 13 27.309 0.300 . 1 . . . . 9 PRO CG . 10195 1 28 . 1 1 9 9 PRO HG2 H 1 2.016 0.030 . 1 . . . . 9 PRO HG2 . 10195 1 29 . 1 1 9 9 PRO HG3 H 1 2.016 0.030 . 1 . . . . 9 PRO HG3 . 10195 1 30 . 1 1 9 9 PRO CD C 13 50.616 0.300 . 1 . . . . 9 PRO CD . 10195 1 31 . 1 1 9 9 PRO HD2 H 1 3.845 0.030 . 2 . . . . 9 PRO HD2 . 10195 1 32 . 1 1 9 9 PRO HD3 H 1 3.608 0.030 . 2 . . . . 9 PRO HD3 . 10195 1 33 . 1 1 10 10 PRO CA C 13 62.942 0.300 . 1 . . . . 10 PRO CA . 10195 1 34 . 1 1 10 10 PRO HA H 1 4.473 0.030 . 1 . . . . 10 PRO HA . 10195 1 35 . 1 1 10 10 PRO CB C 13 32.197 0.300 . 1 . . . . 10 PRO CB . 10195 1 36 . 1 1 10 10 PRO HB2 H 1 1.744 0.030 . 2 . . . . 10 PRO HB2 . 10195 1 37 . 1 1 10 10 PRO HB3 H 1 2.199 0.030 . 2 . . . . 10 PRO HB3 . 10195 1 38 . 1 1 10 10 PRO CG C 13 27.394 0.300 . 1 . . . . 10 PRO CG . 10195 1 39 . 1 1 10 10 PRO HG2 H 1 2.019 0.030 . 1 . . . . 10 PRO HG2 . 10195 1 40 . 1 1 10 10 PRO HG3 H 1 2.019 0.030 . 1 . . . . 10 PRO HG3 . 10195 1 41 . 1 1 10 10 PRO CD C 13 50.403 0.300 . 1 . . . . 10 PRO CD . 10195 1 42 . 1 1 10 10 PRO HD2 H 1 3.789 0.030 . 2 . . . . 10 PRO HD2 . 10195 1 43 . 1 1 10 10 PRO HD3 H 1 3.639 0.030 . 2 . . . . 10 PRO HD3 . 10195 1 44 . 1 1 11 11 THR N N 15 128.434 0.300 . 1 . . . . 11 THR N . 10195 1 45 . 1 1 11 11 THR H H 1 8.172 0.030 . 1 . . . . 11 THR H . 10195 1 46 . 1 1 11 11 THR CA C 13 61.644 0.300 . 1 . . . . 11 THR CA . 10195 1 47 . 1 1 11 11 THR HA H 1 4.357 0.030 . 1 . . . . 11 THR HA . 10195 1 48 . 1 1 11 11 THR CB C 13 70.204 0.300 . 1 . . . . 11 THR CB . 10195 1 49 . 1 1 11 11 THR HB H 1 4.149 0.030 . 1 . . . . 11 THR HB . 10195 1 50 . 1 1 11 11 THR CG2 C 13 21.896 0.300 . 1 . . . . 11 THR CG2 . 10195 1 51 . 1 1 11 11 THR HG21 H 1 1.168 0.030 . 1 . . . . 11 THR HG2 . 10195 1 52 . 1 1 11 11 THR HG22 H 1 1.168 0.030 . 1 . . . . 11 THR HG2 . 10195 1 53 . 1 1 11 11 THR HG23 H 1 1.168 0.030 . 1 . . . . 11 THR HG2 . 10195 1 54 . 1 1 12 12 TYR N N 15 120.312 0.300 . 1 . . . . 12 TYR N . 10195 1 55 . 1 1 12 12 TYR H H 1 8.033 0.030 . 1 . . . . 12 TYR H . 10195 1 56 . 1 1 12 12 TYR CA C 13 56.633 0.300 . 1 . . . . 12 TYR CA . 10195 1 57 . 1 1 12 12 TYR HA H 1 4.967 0.030 . 1 . . . . 12 TYR HA . 10195 1 58 . 1 1 12 12 TYR CB C 13 40.403 0.300 . 1 . . . . 12 TYR CB . 10195 1 59 . 1 1 12 12 TYR HB2 H 1 2.856 0.030 . 2 . . . . 12 TYR HB2 . 10195 1 60 . 1 1 12 12 TYR HB3 H 1 2.969 0.030 . 2 . . . . 12 TYR HB3 . 10195 1 61 . 1 1 12 12 TYR CD1 C 13 133.413 0.300 . 1 . . . . 12 TYR CD1 . 10195 1 62 . 1 1 12 12 TYR HD1 H 1 6.934 0.030 . 1 . . . . 12 TYR HD1 . 10195 1 63 . 1 1 12 12 TYR CD2 C 13 133.413 0.300 . 1 . . . . 12 TYR CD2 . 10195 1 64 . 1 1 12 12 TYR HD2 H 1 6.934 0.030 . 1 . . . . 12 TYR HD2 . 10195 1 65 . 1 1 12 12 TYR CE1 C 13 118.075 0.300 . 1 . . . . 12 TYR CE1 . 10195 1 66 . 1 1 12 12 TYR HE1 H 1 6.729 0.030 . 1 . . . . 12 TYR HE1 . 10195 1 67 . 1 1 12 12 TYR CE2 C 13 118.075 0.300 . 1 . . . . 12 TYR CE2 . 10195 1 68 . 1 1 12 12 TYR HE2 H 1 6.729 0.030 . 1 . . . . 12 TYR HE2 . 10195 1 69 . 1 1 13 13 GLN H H 1 8.634 0.030 . 1 . . . . 13 GLN H . 10195 1 70 . 1 1 13 13 GLN CA C 13 54.519 0.300 . 1 . . . . 13 GLN CA . 10195 1 71 . 1 1 13 13 GLN HA H 1 4.626 0.030 . 1 . . . . 13 GLN HA . 10195 1 72 . 1 1 13 13 GLN CB C 13 31.183 0.300 . 1 . . . . 13 GLN CB . 10195 1 73 . 1 1 13 13 GLN HB2 H 1 1.955 0.030 . 2 . . . . 13 GLN HB2 . 10195 1 74 . 1 1 13 13 GLN HB3 H 1 1.888 0.030 . 2 . . . . 13 GLN HB3 . 10195 1 75 . 1 1 13 13 GLN CG C 13 33.858 0.300 . 1 . . . . 13 GLN CG . 10195 1 76 . 1 1 13 13 GLN HG2 H 1 2.275 0.030 . 2 . . . . 13 GLN HG2 . 10195 1 77 . 1 1 13 13 GLN HG3 H 1 2.177 0.030 . 2 . . . . 13 GLN HG3 . 10195 1 78 . 1 1 13 13 GLN NE2 N 15 111.673 0.300 . 1 . . . . 13 GLN NE2 . 10195 1 79 . 1 1 13 13 GLN HE21 H 1 7.427 0.030 . 2 . . . . 13 GLN HE21 . 10195 1 80 . 1 1 13 13 GLN HE22 H 1 6.810 0.030 . 2 . . . . 13 GLN HE22 . 10195 1 81 . 1 1 14 14 VAL N N 15 124.270 0.300 . 1 . . . . 14 VAL N . 10195 1 82 . 1 1 14 14 VAL H H 1 8.773 0.030 . 1 . . . . 14 VAL H . 10195 1 83 . 1 1 14 14 VAL CA C 13 62.977 0.300 . 1 . . . . 14 VAL CA . 10195 1 84 . 1 1 14 14 VAL HA H 1 4.018 0.030 . 1 . . . . 14 VAL HA . 10195 1 85 . 1 1 14 14 VAL CB C 13 32.909 0.300 . 1 . . . . 14 VAL CB . 10195 1 86 . 1 1 14 14 VAL HB H 1 1.844 0.030 . 1 . . . . 14 VAL HB . 10195 1 87 . 1 1 14 14 VAL CG1 C 13 21.190 0.300 . 2 . . . . 14 VAL CG1 . 10195 1 88 . 1 1 14 14 VAL HG11 H 1 0.949 0.030 . 1 . . . . 14 VAL HG1 . 10195 1 89 . 1 1 14 14 VAL HG12 H 1 0.949 0.030 . 1 . . . . 14 VAL HG1 . 10195 1 90 . 1 1 14 14 VAL HG13 H 1 0.949 0.030 . 1 . . . . 14 VAL HG1 . 10195 1 91 . 1 1 14 14 VAL CG2 C 13 20.593 0.300 . 2 . . . . 14 VAL CG2 . 10195 1 92 . 1 1 14 14 VAL HG21 H 1 0.439 0.030 . 1 . . . . 14 VAL HG2 . 10195 1 93 . 1 1 14 14 VAL HG22 H 1 0.439 0.030 . 1 . . . . 14 VAL HG2 . 10195 1 94 . 1 1 14 14 VAL HG23 H 1 0.439 0.030 . 1 . . . . 14 VAL HG2 . 10195 1 95 . 1 1 15 15 LEU N N 15 128.403 0.300 . 1 . . . . 15 LEU N . 10195 1 96 . 1 1 15 15 LEU H H 1 8.726 0.030 . 1 . . . . 15 LEU H . 10195 1 97 . 1 1 15 15 LEU CA C 13 55.620 0.300 . 1 . . . . 15 LEU CA . 10195 1 98 . 1 1 15 15 LEU HA H 1 4.412 0.030 . 1 . . . . 15 LEU HA . 10195 1 99 . 1 1 15 15 LEU CB C 13 42.580 0.300 . 1 . . . . 15 LEU CB . 10195 1 100 . 1 1 15 15 LEU HB2 H 1 1.474 0.030 . 2 . . . . 15 LEU HB2 . 10195 1 101 . 1 1 15 15 LEU HB3 H 1 1.403 0.030 . 2 . . . . 15 LEU HB3 . 10195 1 102 . 1 1 15 15 LEU CG C 13 27.227 0.300 . 1 . . . . 15 LEU CG . 10195 1 103 . 1 1 15 15 LEU HG H 1 1.448 0.030 . 1 . . . . 15 LEU HG . 10195 1 104 . 1 1 15 15 LEU CD1 C 13 25.036 0.300 . 2 . . . . 15 LEU CD1 . 10195 1 105 . 1 1 15 15 LEU HD11 H 1 0.832 0.030 . 1 . . . . 15 LEU HD1 . 10195 1 106 . 1 1 15 15 LEU HD12 H 1 0.832 0.030 . 1 . . . . 15 LEU HD1 . 10195 1 107 . 1 1 15 15 LEU HD13 H 1 0.832 0.030 . 1 . . . . 15 LEU HD1 . 10195 1 108 . 1 1 15 15 LEU CD2 C 13 23.554 0.300 . 2 . . . . 15 LEU CD2 . 10195 1 109 . 1 1 15 15 LEU HD21 H 1 0.800 0.030 . 1 . . . . 15 LEU HD2 . 10195 1 110 . 1 1 15 15 LEU HD22 H 1 0.800 0.030 . 1 . . . . 15 LEU HD2 . 10195 1 111 . 1 1 15 15 LEU HD23 H 1 0.800 0.030 . 1 . . . . 15 LEU HD2 . 10195 1 112 . 1 1 16 16 GLU H H 1 8.687 0.030 . 1 . . . . 16 GLU H . 10195 1 113 . 1 1 16 16 GLU CA C 13 55.492 0.300 . 1 . . . . 16 GLU CA . 10195 1 114 . 1 1 16 16 GLU HA H 1 4.401 0.030 . 1 . . . . 16 GLU HA . 10195 1 115 . 1 1 16 16 GLU CB C 13 32.409 0.300 . 1 . . . . 16 GLU CB . 10195 1 116 . 1 1 16 16 GLU HB2 H 1 1.944 0.030 . 2 . . . . 16 GLU HB2 . 10195 1 117 . 1 1 16 16 GLU HB3 H 1 1.912 0.030 . 2 . . . . 16 GLU HB3 . 10195 1 118 . 1 1 16 16 GLU CG C 13 36.002 0.300 . 1 . . . . 16 GLU CG . 10195 1 119 . 1 1 16 16 GLU HG2 H 1 2.246 0.030 . 2 . . . . 16 GLU HG2 . 10195 1 120 . 1 1 17 17 TYR N N 15 124.726 0.300 . 1 . . . . 17 TYR N . 10195 1 121 . 1 1 17 17 TYR H H 1 8.505 0.030 . 1 . . . . 17 TYR H . 10195 1 122 . 1 1 17 17 TYR CA C 13 58.490 0.300 . 1 . . . . 17 TYR CA . 10195 1 123 . 1 1 17 17 TYR HA H 1 4.598 0.030 . 1 . . . . 17 TYR HA . 10195 1 124 . 1 1 17 17 TYR CB C 13 38.814 0.300 . 1 . . . . 17 TYR CB . 10195 1 125 . 1 1 17 17 TYR HB2 H 1 2.810 0.030 . 2 . . . . 17 TYR HB2 . 10195 1 126 . 1 1 17 17 TYR HB3 H 1 3.470 0.030 . 2 . . . . 17 TYR HB3 . 10195 1 127 . 1 1 17 17 TYR CD1 C 13 133.051 0.300 . 1 . . . . 17 TYR CD1 . 10195 1 128 . 1 1 17 17 TYR HD1 H 1 7.234 0.030 . 1 . . . . 17 TYR HD1 . 10195 1 129 . 1 1 17 17 TYR CD2 C 13 133.051 0.300 . 1 . . . . 17 TYR CD2 . 10195 1 130 . 1 1 17 17 TYR HD2 H 1 7.234 0.030 . 1 . . . . 17 TYR HD2 . 10195 1 131 . 1 1 17 17 TYR CE1 C 13 118.192 0.300 . 1 . . . . 17 TYR CE1 . 10195 1 132 . 1 1 17 17 TYR HE1 H 1 6.840 0.030 . 1 . . . . 17 TYR HE1 . 10195 1 133 . 1 1 17 17 TYR CE2 C 13 118.192 0.300 . 1 . . . . 17 TYR CE2 . 10195 1 134 . 1 1 17 17 TYR HE2 H 1 6.840 0.030 . 1 . . . . 17 TYR HE2 . 10195 1 135 . 1 1 18 18 GLY N N 15 106.652 0.300 . 1 . . . . 18 GLY N . 10195 1 136 . 1 1 18 18 GLY H H 1 9.176 0.030 . 1 . . . . 18 GLY H . 10195 1 137 . 1 1 18 18 GLY CA C 13 43.947 0.300 . 1 . . . . 18 GLY CA . 10195 1 138 . 1 1 18 18 GLY HA2 H 1 3.646 0.030 . 2 . . . . 18 GLY HA2 . 10195 1 139 . 1 1 18 18 GLY HA3 H 1 4.287 0.030 . 2 . . . . 18 GLY HA3 . 10195 1 140 . 1 1 19 19 GLU N N 15 122.571 0.300 . 1 . . . . 19 GLU N . 10195 1 141 . 1 1 19 19 GLU H H 1 9.450 0.030 . 1 . . . . 19 GLU H . 10195 1 142 . 1 1 19 19 GLU CA C 13 56.496 0.300 . 1 . . . . 19 GLU CA . 10195 1 143 . 1 1 19 19 GLU HA H 1 5.218 0.030 . 1 . . . . 19 GLU HA . 10195 1 144 . 1 1 19 19 GLU CB C 13 34.419 0.300 . 1 . . . . 19 GLU CB . 10195 1 145 . 1 1 19 19 GLU HB2 H 1 1.977 0.030 . 2 . . . . 19 GLU HB2 . 10195 1 146 . 1 1 19 19 GLU HB3 H 1 1.920 0.030 . 2 . . . . 19 GLU HB3 . 10195 1 147 . 1 1 19 19 GLU CG C 13 36.639 0.300 . 1 . . . . 19 GLU CG . 10195 1 148 . 1 1 19 19 GLU HG2 H 1 2.213 0.030 . 2 . . . . 19 GLU HG2 . 10195 1 149 . 1 1 19 19 GLU C C 13 173.496 0.300 . 1 . . . . 19 GLU C . 10195 1 150 . 1 1 20 20 ALA N N 15 125.442 0.300 . 1 . . . . 20 ALA N . 10195 1 151 . 1 1 20 20 ALA H H 1 8.813 0.030 . 1 . . . . 20 ALA H . 10195 1 152 . 1 1 20 20 ALA CA C 13 50.154 0.300 . 1 . . . . 20 ALA CA . 10195 1 153 . 1 1 20 20 ALA HA H 1 5.132 0.030 . 1 . . . . 20 ALA HA . 10195 1 154 . 1 1 20 20 ALA CB C 13 24.742 0.300 . 1 . . . . 20 ALA CB . 10195 1 155 . 1 1 20 20 ALA HB1 H 1 1.032 0.030 . 1 . . . . 20 ALA HB . 10195 1 156 . 1 1 20 20 ALA HB2 H 1 1.032 0.030 . 1 . . . . 20 ALA HB . 10195 1 157 . 1 1 20 20 ALA HB3 H 1 1.032 0.030 . 1 . . . . 20 ALA HB . 10195 1 158 . 1 1 20 20 ALA C C 13 174.555 0.300 . 1 . . . . 20 ALA C . 10195 1 159 . 1 1 21 21 VAL N N 15 117.729 0.300 . 1 . . . . 21 VAL N . 10195 1 160 . 1 1 21 21 VAL H H 1 8.118 0.030 . 1 . . . . 21 VAL H . 10195 1 161 . 1 1 21 21 VAL CA C 13 60.211 0.300 . 1 . . . . 21 VAL CA . 10195 1 162 . 1 1 21 21 VAL HA H 1 4.478 0.030 . 1 . . . . 21 VAL HA . 10195 1 163 . 1 1 21 21 VAL CB C 13 34.751 0.300 . 1 . . . . 21 VAL CB . 10195 1 164 . 1 1 21 21 VAL HB H 1 1.599 0.030 . 1 . . . . 21 VAL HB . 10195 1 165 . 1 1 21 21 VAL CG1 C 13 20.234 0.300 . 2 . . . . 21 VAL CG1 . 10195 1 166 . 1 1 21 21 VAL HG11 H 1 0.625 0.030 . 1 . . . . 21 VAL HG1 . 10195 1 167 . 1 1 21 21 VAL HG12 H 1 0.625 0.030 . 1 . . . . 21 VAL HG1 . 10195 1 168 . 1 1 21 21 VAL HG13 H 1 0.625 0.030 . 1 . . . . 21 VAL HG1 . 10195 1 169 . 1 1 21 21 VAL CG2 C 13 20.910 0.300 . 2 . . . . 21 VAL CG2 . 10195 1 170 . 1 1 21 21 VAL HG21 H 1 0.463 0.030 . 1 . . . . 21 VAL HG2 . 10195 1 171 . 1 1 21 21 VAL HG22 H 1 0.463 0.030 . 1 . . . . 21 VAL HG2 . 10195 1 172 . 1 1 21 21 VAL HG23 H 1 0.463 0.030 . 1 . . . . 21 VAL HG2 . 10195 1 173 . 1 1 21 21 VAL C C 13 176.351 0.300 . 1 . . . . 21 VAL C . 10195 1 174 . 1 1 22 22 ALA N N 15 130.024 0.300 . 1 . . . . 22 ALA N . 10195 1 175 . 1 1 22 22 ALA H H 1 8.689 0.030 . 1 . . . . 22 ALA H . 10195 1 176 . 1 1 22 22 ALA CA C 13 53.496 0.300 . 1 . . . . 22 ALA CA . 10195 1 177 . 1 1 22 22 ALA HA H 1 4.170 0.030 . 1 . . . . 22 ALA HA . 10195 1 178 . 1 1 22 22 ALA CB C 13 20.793 0.300 . 1 . . . . 22 ALA CB . 10195 1 179 . 1 1 22 22 ALA HB1 H 1 1.399 0.030 . 1 . . . . 22 ALA HB . 10195 1 180 . 1 1 22 22 ALA HB2 H 1 1.399 0.030 . 1 . . . . 22 ALA HB . 10195 1 181 . 1 1 22 22 ALA HB3 H 1 1.399 0.030 . 1 . . . . 22 ALA HB . 10195 1 182 . 1 1 22 22 ALA C C 13 178.156 0.300 . 1 . . . . 22 ALA C . 10195 1 183 . 1 1 23 23 GLN N N 15 126.904 0.300 . 1 . . . . 23 GLN N . 10195 1 184 . 1 1 23 23 GLN H H 1 9.442 0.030 . 1 . . . . 23 GLN H . 10195 1 185 . 1 1 23 23 GLN CA C 13 55.611 0.300 . 1 . . . . 23 GLN CA . 10195 1 186 . 1 1 23 23 GLN HA H 1 4.202 0.030 . 1 . . . . 23 GLN HA . 10195 1 187 . 1 1 23 23 GLN CB C 13 30.345 0.300 . 1 . . . . 23 GLN CB . 10195 1 188 . 1 1 23 23 GLN HB2 H 1 1.622 0.030 . 1 . . . . 23 GLN HB2 . 10195 1 189 . 1 1 23 23 GLN HB3 H 1 1.622 0.030 . 1 . . . . 23 GLN HB3 . 10195 1 190 . 1 1 23 23 GLN CG C 13 33.706 0.300 . 1 . . . . 23 GLN CG . 10195 1 191 . 1 1 23 23 GLN HG2 H 1 1.915 0.030 . 2 . . . . 23 GLN HG2 . 10195 1 192 . 1 1 23 23 GLN HG3 H 1 2.021 0.030 . 2 . . . . 23 GLN HG3 . 10195 1 193 . 1 1 23 23 GLN NE2 N 15 111.992 0.300 . 1 . . . . 23 GLN NE2 . 10195 1 194 . 1 1 23 23 GLN HE21 H 1 6.865 0.030 . 2 . . . . 23 GLN HE21 . 10195 1 195 . 1 1 23 23 GLN HE22 H 1 6.662 0.030 . 2 . . . . 23 GLN HE22 . 10195 1 196 . 1 1 23 23 GLN C C 13 173.200 0.300 . 1 . . . . 23 GLN C . 10195 1 197 . 1 1 24 24 TYR N N 15 115.157 0.300 . 1 . . . . 24 TYR N . 10195 1 198 . 1 1 24 24 TYR H H 1 7.696 0.030 . 1 . . . . 24 TYR H . 10195 1 199 . 1 1 24 24 TYR CA C 13 55.303 0.300 . 1 . . . . 24 TYR CA . 10195 1 200 . 1 1 24 24 TYR HA H 1 4.847 0.030 . 1 . . . . 24 TYR HA . 10195 1 201 . 1 1 24 24 TYR CB C 13 43.087 0.300 . 1 . . . . 24 TYR CB . 10195 1 202 . 1 1 24 24 TYR HB2 H 1 3.287 0.030 . 2 . . . . 24 TYR HB2 . 10195 1 203 . 1 1 24 24 TYR HB3 H 1 2.604 0.030 . 2 . . . . 24 TYR HB3 . 10195 1 204 . 1 1 24 24 TYR CD1 C 13 133.636 0.300 . 1 . . . . 24 TYR CD1 . 10195 1 205 . 1 1 24 24 TYR HD1 H 1 6.985 0.030 . 1 . . . . 24 TYR HD1 . 10195 1 206 . 1 1 24 24 TYR CD2 C 13 133.636 0.300 . 1 . . . . 24 TYR CD2 . 10195 1 207 . 1 1 24 24 TYR HD2 H 1 6.985 0.030 . 1 . . . . 24 TYR HD2 . 10195 1 208 . 1 1 24 24 TYR CE1 C 13 118.018 0.300 . 1 . . . . 24 TYR CE1 . 10195 1 209 . 1 1 24 24 TYR HE1 H 1 6.746 0.030 . 1 . . . . 24 TYR HE1 . 10195 1 210 . 1 1 24 24 TYR CE2 C 13 118.018 0.300 . 1 . . . . 24 TYR CE2 . 10195 1 211 . 1 1 24 24 TYR HE2 H 1 6.746 0.030 . 1 . . . . 24 TYR HE2 . 10195 1 212 . 1 1 24 24 TYR C C 13 173.829 0.300 . 1 . . . . 24 TYR C . 10195 1 213 . 1 1 25 25 THR N N 15 118.997 0.300 . 1 . . . . 25 THR N . 10195 1 214 . 1 1 25 25 THR H H 1 8.697 0.030 . 1 . . . . 25 THR H . 10195 1 215 . 1 1 25 25 THR CA C 13 63.201 0.300 . 1 . . . . 25 THR CA . 10195 1 216 . 1 1 25 25 THR HA H 1 4.483 0.030 . 1 . . . . 25 THR HA . 10195 1 217 . 1 1 25 25 THR CB C 13 70.228 0.300 . 1 . . . . 25 THR CB . 10195 1 218 . 1 1 25 25 THR HB H 1 4.188 0.030 . 1 . . . . 25 THR HB . 10195 1 219 . 1 1 25 25 THR CG2 C 13 22.239 0.300 . 1 . . . . 25 THR CG2 . 10195 1 220 . 1 1 25 25 THR HG21 H 1 1.292 0.030 . 1 . . . . 25 THR HG2 . 10195 1 221 . 1 1 25 25 THR HG22 H 1 1.292 0.030 . 1 . . . . 25 THR HG2 . 10195 1 222 . 1 1 25 25 THR HG23 H 1 1.292 0.030 . 1 . . . . 25 THR HG2 . 10195 1 223 . 1 1 25 25 THR C C 13 173.214 0.300 . 1 . . . . 25 THR C . 10195 1 224 . 1 1 26 26 PHE N N 15 129.691 0.300 . 1 . . . . 26 PHE N . 10195 1 225 . 1 1 26 26 PHE H H 1 8.460 0.030 . 1 . . . . 26 PHE H . 10195 1 226 . 1 1 26 26 PHE CA C 13 55.887 0.300 . 1 . . . . 26 PHE CA . 10195 1 227 . 1 1 26 26 PHE HA H 1 4.631 0.030 . 1 . . . . 26 PHE HA . 10195 1 228 . 1 1 26 26 PHE CB C 13 42.134 0.300 . 1 . . . . 26 PHE CB . 10195 1 229 . 1 1 26 26 PHE HB2 H 1 2.138 0.030 . 2 . . . . 26 PHE HB2 . 10195 1 230 . 1 1 26 26 PHE HB3 H 1 1.152 0.030 . 2 . . . . 26 PHE HB3 . 10195 1 231 . 1 1 26 26 PHE CD1 C 13 132.444 0.300 . 1 . . . . 26 PHE CD1 . 10195 1 232 . 1 1 26 26 PHE HD1 H 1 6.739 0.030 . 1 . . . . 26 PHE HD1 . 10195 1 233 . 1 1 26 26 PHE CD2 C 13 132.444 0.300 . 1 . . . . 26 PHE CD2 . 10195 1 234 . 1 1 26 26 PHE HD2 H 1 6.739 0.030 . 1 . . . . 26 PHE HD2 . 10195 1 235 . 1 1 26 26 PHE CE1 C 13 130.845 0.300 . 1 . . . . 26 PHE CE1 . 10195 1 236 . 1 1 26 26 PHE HE1 H 1 7.189 0.030 . 1 . . . . 26 PHE HE1 . 10195 1 237 . 1 1 26 26 PHE CE2 C 13 130.845 0.300 . 1 . . . . 26 PHE CE2 . 10195 1 238 . 1 1 26 26 PHE HE2 H 1 7.189 0.030 . 1 . . . . 26 PHE HE2 . 10195 1 239 . 1 1 26 26 PHE CZ C 13 129.329 0.300 . 1 . . . . 26 PHE CZ . 10195 1 240 . 1 1 26 26 PHE HZ H 1 7.336 0.030 . 1 . . . . 26 PHE HZ . 10195 1 241 . 1 1 26 26 PHE C C 13 173.089 0.300 . 1 . . . . 26 PHE C . 10195 1 242 . 1 1 27 27 LYS N N 15 129.755 0.300 . 1 . . . . 27 LYS N . 10195 1 243 . 1 1 27 27 LYS H H 1 7.879 0.030 . 1 . . . . 27 LYS H . 10195 1 244 . 1 1 27 27 LYS CA C 13 54.562 0.300 . 1 . . . . 27 LYS CA . 10195 1 245 . 1 1 27 27 LYS HA H 1 4.023 0.030 . 1 . . . . 27 LYS HA . 10195 1 246 . 1 1 27 27 LYS CB C 13 32.490 0.300 . 1 . . . . 27 LYS CB . 10195 1 247 . 1 1 27 27 LYS HB2 H 1 1.551 0.030 . 2 . . . . 27 LYS HB2 . 10195 1 248 . 1 1 27 27 LYS HB3 H 1 1.364 0.030 . 2 . . . . 27 LYS HB3 . 10195 1 249 . 1 1 27 27 LYS CG C 13 24.467 0.300 . 1 . . . . 27 LYS CG . 10195 1 250 . 1 1 27 27 LYS HG2 H 1 1.193 0.030 . 2 . . . . 27 LYS HG2 . 10195 1 251 . 1 1 27 27 LYS HG3 H 1 1.135 0.030 . 2 . . . . 27 LYS HG3 . 10195 1 252 . 1 1 27 27 LYS CD C 13 29.026 0.300 . 1 . . . . 27 LYS CD . 10195 1 253 . 1 1 27 27 LYS HD2 H 1 1.588 0.030 . 2 . . . . 27 LYS HD2 . 10195 1 254 . 1 1 27 27 LYS HD3 H 1 1.542 0.030 . 2 . . . . 27 LYS HD3 . 10195 1 255 . 1 1 27 27 LYS CE C 13 42.070 0.300 . 1 . . . . 27 LYS CE . 10195 1 256 . 1 1 27 27 LYS HE2 H 1 2.910 0.030 . 1 . . . . 27 LYS HE2 . 10195 1 257 . 1 1 27 27 LYS HE3 H 1 2.910 0.030 . 1 . . . . 27 LYS HE3 . 10195 1 258 . 1 1 27 27 LYS C C 13 174.852 0.300 . 1 . . . . 27 LYS C . 10195 1 259 . 1 1 28 28 GLY N N 15 113.171 0.300 . 1 . . . . 28 GLY N . 10195 1 260 . 1 1 28 28 GLY H H 1 7.726 0.030 . 1 . . . . 28 GLY H . 10195 1 261 . 1 1 28 28 GLY CA C 13 45.922 0.300 . 1 . . . . 28 GLY CA . 10195 1 262 . 1 1 28 28 GLY HA2 H 1 3.151 0.030 . 2 . . . . 28 GLY HA2 . 10195 1 263 . 1 1 28 28 GLY HA3 H 1 3.619 0.030 . 2 . . . . 28 GLY HA3 . 10195 1 264 . 1 1 28 28 GLY C C 13 173.250 0.300 . 1 . . . . 28 GLY C . 10195 1 265 . 1 1 29 29 ASP N N 15 121.578 0.300 . 1 . . . . 29 ASP N . 10195 1 266 . 1 1 29 29 ASP H H 1 8.743 0.030 . 1 . . . . 29 ASP H . 10195 1 267 . 1 1 29 29 ASP CA C 13 55.162 0.300 . 1 . . . . 29 ASP CA . 10195 1 268 . 1 1 29 29 ASP HA H 1 4.616 0.030 . 1 . . . . 29 ASP HA . 10195 1 269 . 1 1 29 29 ASP CB C 13 42.815 0.300 . 1 . . . . 29 ASP CB . 10195 1 270 . 1 1 29 29 ASP HB2 H 1 2.663 0.030 . 1 . . . . 29 ASP HB2 . 10195 1 271 . 1 1 29 29 ASP HB3 H 1 2.663 0.030 . 1 . . . . 29 ASP HB3 . 10195 1 272 . 1 1 29 29 ASP C C 13 176.583 0.300 . 1 . . . . 29 ASP C . 10195 1 273 . 1 1 30 30 LEU N N 15 119.139 0.300 . 1 . . . . 30 LEU N . 10195 1 274 . 1 1 30 30 LEU H H 1 8.069 0.030 . 1 . . . . 30 LEU H . 10195 1 275 . 1 1 30 30 LEU CA C 13 54.174 0.300 . 1 . . . . 30 LEU CA . 10195 1 276 . 1 1 30 30 LEU HA H 1 4.585 0.030 . 1 . . . . 30 LEU HA . 10195 1 277 . 1 1 30 30 LEU CB C 13 44.109 0.300 . 1 . . . . 30 LEU CB . 10195 1 278 . 1 1 30 30 LEU HB2 H 1 1.703 0.030 . 2 . . . . 30 LEU HB2 . 10195 1 279 . 1 1 30 30 LEU HB3 H 1 1.588 0.030 . 2 . . . . 30 LEU HB3 . 10195 1 280 . 1 1 30 30 LEU CG C 13 27.202 0.300 . 1 . . . . 30 LEU CG . 10195 1 281 . 1 1 30 30 LEU HG H 1 1.704 0.030 . 1 . . . . 30 LEU HG . 10195 1 282 . 1 1 30 30 LEU CD1 C 13 25.463 0.300 . 2 . . . . 30 LEU CD1 . 10195 1 283 . 1 1 30 30 LEU HD11 H 1 0.862 0.030 . 1 . . . . 30 LEU HD1 . 10195 1 284 . 1 1 30 30 LEU HD12 H 1 0.862 0.030 . 1 . . . . 30 LEU HD1 . 10195 1 285 . 1 1 30 30 LEU HD13 H 1 0.862 0.030 . 1 . . . . 30 LEU HD1 . 10195 1 286 . 1 1 30 30 LEU CD2 C 13 22.688 0.300 . 2 . . . . 30 LEU CD2 . 10195 1 287 . 1 1 30 30 LEU HD21 H 1 0.883 0.030 . 1 . . . . 30 LEU HD2 . 10195 1 288 . 1 1 30 30 LEU HD22 H 1 0.883 0.030 . 1 . . . . 30 LEU HD2 . 10195 1 289 . 1 1 30 30 LEU HD23 H 1 0.883 0.030 . 1 . . . . 30 LEU HD2 . 10195 1 290 . 1 1 30 30 LEU C C 13 179.241 0.300 . 1 . . . . 30 LEU C . 10195 1 291 . 1 1 31 31 GLU N N 15 122.182 0.300 . 1 . . . . 31 GLU N . 10195 1 292 . 1 1 31 31 GLU H H 1 8.905 0.030 . 1 . . . . 31 GLU H . 10195 1 293 . 1 1 31 31 GLU CA C 13 59.392 0.300 . 1 . . . . 31 GLU CA . 10195 1 294 . 1 1 31 31 GLU HA H 1 4.151 0.030 . 1 . . . . 31 GLU HA . 10195 1 295 . 1 1 31 31 GLU CB C 13 29.605 0.300 . 1 . . . . 31 GLU CB . 10195 1 296 . 1 1 31 31 GLU HB2 H 1 2.109 0.030 . 1 . . . . 31 GLU HB2 . 10195 1 297 . 1 1 31 31 GLU HB3 H 1 2.109 0.030 . 1 . . . . 31 GLU HB3 . 10195 1 298 . 1 1 31 31 GLU CG C 13 36.516 0.300 . 1 . . . . 31 GLU CG . 10195 1 299 . 1 1 31 31 GLU HG2 H 1 2.371 0.030 . 1 . . . . 31 GLU HG2 . 10195 1 300 . 1 1 31 31 GLU HG3 H 1 2.371 0.030 . 1 . . . . 31 GLU HG3 . 10195 1 301 . 1 1 31 31 GLU C C 13 177.520 0.300 . 1 . . . . 31 GLU C . 10195 1 302 . 1 1 32 32 VAL N N 15 108.281 0.300 . 1 . . . . 32 VAL N . 10195 1 303 . 1 1 32 32 VAL H H 1 7.186 0.030 . 1 . . . . 32 VAL H . 10195 1 304 . 1 1 32 32 VAL CA C 13 61.950 0.300 . 1 . . . . 32 VAL CA . 10195 1 305 . 1 1 32 32 VAL HA H 1 4.365 0.030 . 1 . . . . 32 VAL HA . 10195 1 306 . 1 1 32 32 VAL CB C 13 32.222 0.300 . 1 . . . . 32 VAL CB . 10195 1 307 . 1 1 32 32 VAL HB H 1 2.404 0.030 . 1 . . . . 32 VAL HB . 10195 1 308 . 1 1 32 32 VAL CG1 C 13 21.066 0.300 . 2 . . . . 32 VAL CG1 . 10195 1 309 . 1 1 32 32 VAL HG11 H 1 1.007 0.030 . 1 . . . . 32 VAL HG1 . 10195 1 310 . 1 1 32 32 VAL HG12 H 1 1.007 0.030 . 1 . . . . 32 VAL HG1 . 10195 1 311 . 1 1 32 32 VAL HG13 H 1 1.007 0.030 . 1 . . . . 32 VAL HG1 . 10195 1 312 . 1 1 32 32 VAL CG2 C 13 19.172 0.300 . 2 . . . . 32 VAL CG2 . 10195 1 313 . 1 1 32 32 VAL HG21 H 1 0.931 0.030 . 1 . . . . 32 VAL HG2 . 10195 1 314 . 1 1 32 32 VAL HG22 H 1 0.931 0.030 . 1 . . . . 32 VAL HG2 . 10195 1 315 . 1 1 32 32 VAL HG23 H 1 0.931 0.030 . 1 . . . . 32 VAL HG2 . 10195 1 316 . 1 1 32 32 VAL C C 13 176.602 0.300 . 1 . . . . 32 VAL C . 10195 1 317 . 1 1 33 33 GLU N N 15 120.835 0.300 . 1 . . . . 33 GLU N . 10195 1 318 . 1 1 33 33 GLU H H 1 7.751 0.030 . 1 . . . . 33 GLU H . 10195 1 319 . 1 1 33 33 GLU CA C 13 55.560 0.300 . 1 . . . . 33 GLU CA . 10195 1 320 . 1 1 33 33 GLU HA H 1 5.106 0.030 . 1 . . . . 33 GLU HA . 10195 1 321 . 1 1 33 33 GLU CB C 13 31.354 0.300 . 1 . . . . 33 GLU CB . 10195 1 322 . 1 1 33 33 GLU HB2 H 1 2.216 0.030 . 2 . . . . 33 GLU HB2 . 10195 1 323 . 1 1 33 33 GLU HB3 H 1 2.445 0.030 . 2 . . . . 33 GLU HB3 . 10195 1 324 . 1 1 33 33 GLU CG C 13 38.055 0.300 . 1 . . . . 33 GLU CG . 10195 1 325 . 1 1 33 33 GLU HG2 H 1 2.577 0.030 . 2 . . . . 33 GLU HG2 . 10195 1 326 . 1 1 33 33 GLU HG3 H 1 2.310 0.030 . 2 . . . . 33 GLU HG3 . 10195 1 327 . 1 1 33 33 GLU C C 13 176.180 0.300 . 1 . . . . 33 GLU C . 10195 1 328 . 1 1 34 34 LEU N N 15 126.568 0.300 . 1 . . . . 34 LEU N . 10195 1 329 . 1 1 34 34 LEU H H 1 9.073 0.030 . 1 . . . . 34 LEU H . 10195 1 330 . 1 1 34 34 LEU CA C 13 53.385 0.300 . 1 . . . . 34 LEU CA . 10195 1 331 . 1 1 34 34 LEU HA H 1 4.481 0.030 . 1 . . . . 34 LEU HA . 10195 1 332 . 1 1 34 34 LEU CB C 13 44.305 0.300 . 1 . . . . 34 LEU CB . 10195 1 333 . 1 1 34 34 LEU HB2 H 1 1.992 0.030 . 2 . . . . 34 LEU HB2 . 10195 1 334 . 1 1 34 34 LEU HB3 H 1 1.021 0.030 . 2 . . . . 34 LEU HB3 . 10195 1 335 . 1 1 34 34 LEU CG C 13 27.078 0.300 . 1 . . . . 34 LEU CG . 10195 1 336 . 1 1 34 34 LEU HG H 1 1.634 0.030 . 1 . . . . 34 LEU HG . 10195 1 337 . 1 1 34 34 LEU CD1 C 13 23.768 0.300 . 2 . . . . 34 LEU CD1 . 10195 1 338 . 1 1 34 34 LEU HD11 H 1 0.887 0.030 . 1 . . . . 34 LEU HD1 . 10195 1 339 . 1 1 34 34 LEU HD12 H 1 0.887 0.030 . 1 . . . . 34 LEU HD1 . 10195 1 340 . 1 1 34 34 LEU HD13 H 1 0.887 0.030 . 1 . . . . 34 LEU HD1 . 10195 1 341 . 1 1 34 34 LEU CD2 C 13 25.559 0.300 . 2 . . . . 34 LEU CD2 . 10195 1 342 . 1 1 34 34 LEU HD21 H 1 0.711 0.030 . 1 . . . . 34 LEU HD2 . 10195 1 343 . 1 1 34 34 LEU HD22 H 1 0.711 0.030 . 1 . . . . 34 LEU HD2 . 10195 1 344 . 1 1 34 34 LEU HD23 H 1 0.711 0.030 . 1 . . . . 34 LEU HD2 . 10195 1 345 . 1 1 34 34 LEU C C 13 173.373 0.300 . 1 . . . . 34 LEU C . 10195 1 346 . 1 1 35 35 SER N N 15 116.987 0.300 . 1 . . . . 35 SER N . 10195 1 347 . 1 1 35 35 SER H H 1 7.561 0.030 . 1 . . . . 35 SER H . 10195 1 348 . 1 1 35 35 SER CA C 13 58.335 0.300 . 1 . . . . 35 SER CA . 10195 1 349 . 1 1 35 35 SER HA H 1 4.569 0.030 . 1 . . . . 35 SER HA . 10195 1 350 . 1 1 35 35 SER CB C 13 64.536 0.300 . 1 . . . . 35 SER CB . 10195 1 351 . 1 1 35 35 SER HB2 H 1 3.904 0.030 . 2 . . . . 35 SER HB2 . 10195 1 352 . 1 1 35 35 SER HB3 H 1 3.684 0.030 . 2 . . . . 35 SER HB3 . 10195 1 353 . 1 1 35 35 SER C C 13 174.513 0.300 . 1 . . . . 35 SER C . 10195 1 354 . 1 1 36 36 PHE N N 15 117.028 0.300 . 1 . . . . 36 PHE N . 10195 1 355 . 1 1 36 36 PHE H H 1 8.339 0.030 . 1 . . . . 36 PHE H . 10195 1 356 . 1 1 36 36 PHE CA C 13 55.938 0.300 . 1 . . . . 36 PHE CA . 10195 1 357 . 1 1 36 36 PHE HA H 1 4.647 0.030 . 1 . . . . 36 PHE HA . 10195 1 358 . 1 1 36 36 PHE CB C 13 39.959 0.300 . 1 . . . . 36 PHE CB . 10195 1 359 . 1 1 36 36 PHE HB2 H 1 3.016 0.030 . 2 . . . . 36 PHE HB2 . 10195 1 360 . 1 1 36 36 PHE HB3 H 1 2.977 0.030 . 2 . . . . 36 PHE HB3 . 10195 1 361 . 1 1 36 36 PHE CD1 C 13 132.833 0.300 . 1 . . . . 36 PHE CD1 . 10195 1 362 . 1 1 36 36 PHE HD1 H 1 6.619 0.030 . 1 . . . . 36 PHE HD1 . 10195 1 363 . 1 1 36 36 PHE CD2 C 13 132.833 0.300 . 1 . . . . 36 PHE CD2 . 10195 1 364 . 1 1 36 36 PHE HD2 H 1 6.619 0.030 . 1 . . . . 36 PHE HD2 . 10195 1 365 . 1 1 36 36 PHE CE1 C 13 131.099 0.300 . 1 . . . . 36 PHE CE1 . 10195 1 366 . 1 1 36 36 PHE HE1 H 1 6.935 0.030 . 1 . . . . 36 PHE HE1 . 10195 1 367 . 1 1 36 36 PHE CE2 C 13 131.099 0.300 . 1 . . . . 36 PHE CE2 . 10195 1 368 . 1 1 36 36 PHE HE2 H 1 6.935 0.030 . 1 . . . . 36 PHE HE2 . 10195 1 369 . 1 1 36 36 PHE CZ C 13 128.086 0.300 . 1 . . . . 36 PHE CZ . 10195 1 370 . 1 1 36 36 PHE HZ H 1 6.515 0.030 . 1 . . . . 36 PHE HZ . 10195 1 371 . 1 1 36 36 PHE C C 13 174.055 0.300 . 1 . . . . 36 PHE C . 10195 1 372 . 1 1 37 37 ARG N N 15 120.296 0.300 . 1 . . . . 37 ARG N . 10195 1 373 . 1 1 37 37 ARG H H 1 9.859 0.030 . 1 . . . . 37 ARG H . 10195 1 374 . 1 1 37 37 ARG CA C 13 53.915 0.300 . 1 . . . . 37 ARG CA . 10195 1 375 . 1 1 37 37 ARG HA H 1 4.929 0.030 . 1 . . . . 37 ARG HA . 10195 1 376 . 1 1 37 37 ARG CB C 13 32.735 0.300 . 1 . . . . 37 ARG CB . 10195 1 377 . 1 1 37 37 ARG HB2 H 1 1.871 0.030 . 2 . . . . 37 ARG HB2 . 10195 1 378 . 1 1 37 37 ARG HB3 H 1 1.729 0.030 . 2 . . . . 37 ARG HB3 . 10195 1 379 . 1 1 37 37 ARG CG C 13 27.650 0.300 . 1 . . . . 37 ARG CG . 10195 1 380 . 1 1 37 37 ARG HG2 H 1 1.729 0.030 . 1 . . . . 37 ARG HG2 . 10195 1 381 . 1 1 37 37 ARG HG3 H 1 1.729 0.030 . 1 . . . . 37 ARG HG3 . 10195 1 382 . 1 1 37 37 ARG CD C 13 43.286 0.300 . 1 . . . . 37 ARG CD . 10195 1 383 . 1 1 37 37 ARG HD2 H 1 3.204 0.030 . 1 . . . . 37 ARG HD2 . 10195 1 384 . 1 1 37 37 ARG HD3 H 1 3.204 0.030 . 1 . . . . 37 ARG HD3 . 10195 1 385 . 1 1 37 37 ARG C C 13 175.793 0.300 . 1 . . . . 37 ARG C . 10195 1 386 . 1 1 38 38 LYS N N 15 121.649 0.300 . 1 . . . . 38 LYS N . 10195 1 387 . 1 1 38 38 LYS H H 1 7.938 0.030 . 1 . . . . 38 LYS H . 10195 1 388 . 1 1 38 38 LYS CA C 13 58.880 0.300 . 1 . . . . 38 LYS CA . 10195 1 389 . 1 1 38 38 LYS HA H 1 3.291 0.030 . 1 . . . . 38 LYS HA . 10195 1 390 . 1 1 38 38 LYS CB C 13 32.755 0.300 . 1 . . . . 38 LYS CB . 10195 1 391 . 1 1 38 38 LYS HB2 H 1 1.611 0.030 . 1 . . . . 38 LYS HB2 . 10195 1 392 . 1 1 38 38 LYS HB3 H 1 1.611 0.030 . 1 . . . . 38 LYS HB3 . 10195 1 393 . 1 1 38 38 LYS CG C 13 24.565 0.300 . 1 . . . . 38 LYS CG . 10195 1 394 . 1 1 38 38 LYS HG2 H 1 1.135 0.030 . 2 . . . . 38 LYS HG2 . 10195 1 395 . 1 1 38 38 LYS HG3 H 1 1.063 0.030 . 2 . . . . 38 LYS HG3 . 10195 1 396 . 1 1 38 38 LYS CD C 13 29.644 0.300 . 1 . . . . 38 LYS CD . 10195 1 397 . 1 1 38 38 LYS HD2 H 1 1.639 0.030 . 1 . . . . 38 LYS HD2 . 10195 1 398 . 1 1 38 38 LYS HD3 H 1 1.639 0.030 . 1 . . . . 38 LYS HD3 . 10195 1 399 . 1 1 38 38 LYS CE C 13 42.129 0.300 . 1 . . . . 38 LYS CE . 10195 1 400 . 1 1 38 38 LYS HE2 H 1 2.971 0.030 . 2 . . . . 38 LYS HE2 . 10195 1 401 . 1 1 38 38 LYS HE3 H 1 2.919 0.030 . 2 . . . . 38 LYS HE3 . 10195 1 402 . 1 1 38 38 LYS C C 13 176.459 0.300 . 1 . . . . 38 LYS C . 10195 1 403 . 1 1 39 39 GLY N N 15 114.431 0.300 . 1 . . . . 39 GLY N . 10195 1 404 . 1 1 39 39 GLY H H 1 8.618 0.030 . 1 . . . . 39 GLY H . 10195 1 405 . 1 1 39 39 GLY CA C 13 44.652 0.300 . 1 . . . . 39 GLY CA . 10195 1 406 . 1 1 39 39 GLY HA2 H 1 3.438 0.030 . 2 . . . . 39 GLY HA2 . 10195 1 407 . 1 1 39 39 GLY HA3 H 1 4.399 0.030 . 2 . . . . 39 GLY HA3 . 10195 1 408 . 1 1 39 39 GLY C C 13 174.586 0.300 . 1 . . . . 39 GLY C . 10195 1 409 . 1 1 40 40 GLU N N 15 119.554 0.300 . 1 . . . . 40 GLU N . 10195 1 410 . 1 1 40 40 GLU H H 1 7.931 0.030 . 1 . . . . 40 GLU H . 10195 1 411 . 1 1 40 40 GLU CA C 13 59.197 0.300 . 1 . . . . 40 GLU CA . 10195 1 412 . 1 1 40 40 GLU HA H 1 4.272 0.030 . 1 . . . . 40 GLU HA . 10195 1 413 . 1 1 40 40 GLU CB C 13 30.759 0.300 . 1 . . . . 40 GLU CB . 10195 1 414 . 1 1 40 40 GLU HB2 H 1 2.116 0.030 . 2 . . . . 40 GLU HB2 . 10195 1 415 . 1 1 40 40 GLU HB3 H 1 1.909 0.030 . 2 . . . . 40 GLU HB3 . 10195 1 416 . 1 1 40 40 GLU CG C 13 39.428 0.300 . 1 . . . . 40 GLU CG . 10195 1 417 . 1 1 40 40 GLU HG2 H 1 2.659 0.030 . 2 . . . . 40 GLU HG2 . 10195 1 418 . 1 1 40 40 GLU HG3 H 1 2.115 0.030 . 2 . . . . 40 GLU HG3 . 10195 1 419 . 1 1 40 40 GLU C C 13 175.278 0.300 . 1 . . . . 40 GLU C . 10195 1 420 . 1 1 41 41 HIS N N 15 121.677 0.300 . 1 . . . . 41 HIS N . 10195 1 421 . 1 1 41 41 HIS H H 1 8.837 0.030 . 1 . . . . 41 HIS H . 10195 1 422 . 1 1 41 41 HIS CA C 13 56.432 0.300 . 1 . . . . 41 HIS CA . 10195 1 423 . 1 1 41 41 HIS HA H 1 4.817 0.030 . 1 . . . . 41 HIS HA . 10195 1 424 . 1 1 41 41 HIS CB C 13 30.260 0.300 . 1 . . . . 41 HIS CB . 10195 1 425 . 1 1 41 41 HIS HB2 H 1 3.132 0.030 . 1 . . . . 41 HIS HB2 . 10195 1 426 . 1 1 41 41 HIS HB3 H 1 3.132 0.030 . 1 . . . . 41 HIS HB3 . 10195 1 427 . 1 1 41 41 HIS CD2 C 13 119.653 0.300 . 1 . . . . 41 HIS CD2 . 10195 1 428 . 1 1 41 41 HIS HD2 H 1 7.241 0.030 . 1 . . . . 41 HIS HD2 . 10195 1 429 . 1 1 41 41 HIS CE1 C 13 136.827 0.300 . 1 . . . . 41 HIS CE1 . 10195 1 430 . 1 1 41 41 HIS HE1 H 1 8.104 0.030 . 1 . . . . 41 HIS HE1 . 10195 1 431 . 1 1 41 41 HIS C C 13 174.622 0.300 . 1 . . . . 41 HIS C . 10195 1 432 . 1 1 42 42 ILE N N 15 123.889 0.300 . 1 . . . . 42 ILE N . 10195 1 433 . 1 1 42 42 ILE H H 1 8.753 0.030 . 1 . . . . 42 ILE H . 10195 1 434 . 1 1 42 42 ILE CA C 13 60.433 0.300 . 1 . . . . 42 ILE CA . 10195 1 435 . 1 1 42 42 ILE HA H 1 4.079 0.030 . 1 . . . . 42 ILE HA . 10195 1 436 . 1 1 42 42 ILE CB C 13 42.258 0.300 . 1 . . . . 42 ILE CB . 10195 1 437 . 1 1 42 42 ILE HB H 1 0.953 0.030 . 1 . . . . 42 ILE HB . 10195 1 438 . 1 1 42 42 ILE CG1 C 13 27.016 0.300 . 1 . . . . 42 ILE CG1 . 10195 1 439 . 1 1 42 42 ILE HG12 H 1 0.144 0.030 . 2 . . . . 42 ILE HG12 . 10195 1 440 . 1 1 42 42 ILE HG13 H 1 0.697 0.030 . 2 . . . . 42 ILE HG13 . 10195 1 441 . 1 1 42 42 ILE CG2 C 13 18.217 0.300 . 1 . . . . 42 ILE CG2 . 10195 1 442 . 1 1 42 42 ILE HG21 H 1 0.442 0.030 . 1 . . . . 42 ILE HG2 . 10195 1 443 . 1 1 42 42 ILE HG22 H 1 0.442 0.030 . 1 . . . . 42 ILE HG2 . 10195 1 444 . 1 1 42 42 ILE HG23 H 1 0.442 0.030 . 1 . . . . 42 ILE HG2 . 10195 1 445 . 1 1 42 42 ILE CD1 C 13 13.393 0.300 . 1 . . . . 42 ILE CD1 . 10195 1 446 . 1 1 42 42 ILE HD11 H 1 -0.756 0.030 . 1 . . . . 42 ILE HD1 . 10195 1 447 . 1 1 42 42 ILE HD12 H 1 -0.756 0.030 . 1 . . . . 42 ILE HD1 . 10195 1 448 . 1 1 42 42 ILE HD13 H 1 -0.756 0.030 . 1 . . . . 42 ILE HD1 . 10195 1 449 . 1 1 42 42 ILE C C 13 174.377 0.300 . 1 . . . . 42 ILE C . 10195 1 450 . 1 1 43 43 CYS N N 15 127.431 0.300 . 1 . . . . 43 CYS N . 10195 1 451 . 1 1 43 43 CYS H H 1 8.877 0.030 . 1 . . . . 43 CYS H . 10195 1 452 . 1 1 43 43 CYS CA C 13 57.909 0.300 . 1 . . . . 43 CYS CA . 10195 1 453 . 1 1 43 43 CYS HA H 1 4.654 0.030 . 1 . . . . 43 CYS HA . 10195 1 454 . 1 1 43 43 CYS CB C 13 26.650 0.300 . 1 . . . . 43 CYS CB . 10195 1 455 . 1 1 43 43 CYS HB2 H 1 2.889 0.030 . 2 . . . . 43 CYS HB2 . 10195 1 456 . 1 1 43 43 CYS HB3 H 1 2.790 0.030 . 2 . . . . 43 CYS HB3 . 10195 1 457 . 1 1 43 43 CYS C C 13 174.875 0.300 . 1 . . . . 43 CYS C . 10195 1 458 . 1 1 44 44 LEU N N 15 126.732 0.300 . 1 . . . . 44 LEU N . 10195 1 459 . 1 1 44 44 LEU H H 1 7.724 0.030 . 1 . . . . 44 LEU H . 10195 1 460 . 1 1 44 44 LEU CA C 13 53.741 0.300 . 1 . . . . 44 LEU CA . 10195 1 461 . 1 1 44 44 LEU HA H 1 4.546 0.030 . 1 . . . . 44 LEU HA . 10195 1 462 . 1 1 44 44 LEU CB C 13 43.286 0.300 . 1 . . . . 44 LEU CB . 10195 1 463 . 1 1 44 44 LEU HB2 H 1 1.402 0.030 . 2 . . . . 44 LEU HB2 . 10195 1 464 . 1 1 44 44 LEU HB3 H 1 1.034 0.030 . 2 . . . . 44 LEU HB3 . 10195 1 465 . 1 1 44 44 LEU CG C 13 25.880 0.300 . 1 . . . . 44 LEU CG . 10195 1 466 . 1 1 44 44 LEU HG H 1 1.313 0.030 . 1 . . . . 44 LEU HG . 10195 1 467 . 1 1 44 44 LEU CD1 C 13 26.577 0.300 . 2 . . . . 44 LEU CD1 . 10195 1 468 . 1 1 44 44 LEU HD11 H 1 0.583 0.030 . 1 . . . . 44 LEU HD1 . 10195 1 469 . 1 1 44 44 LEU HD12 H 1 0.583 0.030 . 1 . . . . 44 LEU HD1 . 10195 1 470 . 1 1 44 44 LEU HD13 H 1 0.583 0.030 . 1 . . . . 44 LEU HD1 . 10195 1 471 . 1 1 44 44 LEU CD2 C 13 22.869 0.300 . 2 . . . . 44 LEU CD2 . 10195 1 472 . 1 1 44 44 LEU HD21 H 1 0.407 0.030 . 1 . . . . 44 LEU HD2 . 10195 1 473 . 1 1 44 44 LEU HD22 H 1 0.407 0.030 . 1 . . . . 44 LEU HD2 . 10195 1 474 . 1 1 44 44 LEU HD23 H 1 0.407 0.030 . 1 . . . . 44 LEU HD2 . 10195 1 475 . 1 1 44 44 LEU C C 13 175.004 0.300 . 1 . . . . 44 LEU C . 10195 1 476 . 1 1 45 45 ILE N N 15 125.519 0.300 . 1 . . . . 45 ILE N . 10195 1 477 . 1 1 45 45 ILE H H 1 9.058 0.030 . 1 . . . . 45 ILE H . 10195 1 478 . 1 1 45 45 ILE CA C 13 63.488 0.300 . 1 . . . . 45 ILE CA . 10195 1 479 . 1 1 45 45 ILE HA H 1 4.121 0.030 . 1 . . . . 45 ILE HA . 10195 1 480 . 1 1 45 45 ILE CB C 13 39.808 0.300 . 1 . . . . 45 ILE CB . 10195 1 481 . 1 1 45 45 ILE HB H 1 1.474 0.030 . 1 . . . . 45 ILE HB . 10195 1 482 . 1 1 45 45 ILE CG1 C 13 28.373 0.300 . 1 . . . . 45 ILE CG1 . 10195 1 483 . 1 1 45 45 ILE HG12 H 1 1.583 0.030 . 2 . . . . 45 ILE HG12 . 10195 1 484 . 1 1 45 45 ILE HG13 H 1 1.018 0.030 . 2 . . . . 45 ILE HG13 . 10195 1 485 . 1 1 45 45 ILE CG2 C 13 17.452 0.300 . 1 . . . . 45 ILE CG2 . 10195 1 486 . 1 1 45 45 ILE HG21 H 1 0.911 0.030 . 1 . . . . 45 ILE HG2 . 10195 1 487 . 1 1 45 45 ILE HG22 H 1 0.911 0.030 . 1 . . . . 45 ILE HG2 . 10195 1 488 . 1 1 45 45 ILE HG23 H 1 0.911 0.030 . 1 . . . . 45 ILE HG2 . 10195 1 489 . 1 1 45 45 ILE CD1 C 13 13.377 0.300 . 1 . . . . 45 ILE CD1 . 10195 1 490 . 1 1 45 45 ILE HD11 H 1 0.694 0.030 . 1 . . . . 45 ILE HD1 . 10195 1 491 . 1 1 45 45 ILE HD12 H 1 0.694 0.030 . 1 . . . . 45 ILE HD1 . 10195 1 492 . 1 1 45 45 ILE HD13 H 1 0.694 0.030 . 1 . . . . 45 ILE HD1 . 10195 1 493 . 1 1 46 46 ARG N N 15 105.448 0.300 . 1 . . . . 46 ARG N . 10195 1 494 . 1 1 46 46 ARG H H 1 7.377 0.030 . 1 . . . . 46 ARG H . 10195 1 495 . 1 1 46 46 ARG CA C 13 54.848 0.300 . 1 . . . . 46 ARG CA . 10195 1 496 . 1 1 46 46 ARG HA H 1 4.576 0.030 . 1 . . . . 46 ARG HA . 10195 1 497 . 1 1 46 46 ARG CB C 13 32.078 0.300 . 1 . . . . 46 ARG CB . 10195 1 498 . 1 1 46 46 ARG HB2 H 1 1.638 0.030 . 2 . . . . 46 ARG HB2 . 10195 1 499 . 1 1 46 46 ARG HB3 H 1 2.006 0.030 . 2 . . . . 46 ARG HB3 . 10195 1 500 . 1 1 46 46 ARG CG C 13 26.663 0.300 . 1 . . . . 46 ARG CG . 10195 1 501 . 1 1 46 46 ARG HG2 H 1 1.141 0.030 . 2 . . . . 46 ARG HG2 . 10195 1 502 . 1 1 46 46 ARG HG3 H 1 1.413 0.030 . 2 . . . . 46 ARG HG3 . 10195 1 503 . 1 1 46 46 ARG CD C 13 43.390 0.300 . 1 . . . . 46 ARG CD . 10195 1 504 . 1 1 46 46 ARG HD2 H 1 2.964 0.030 . 2 . . . . 46 ARG HD2 . 10195 1 505 . 1 1 46 46 ARG HD3 H 1 2.703 0.030 . 2 . . . . 46 ARG HD3 . 10195 1 506 . 1 1 46 46 ARG NE N 15 85.780 0.300 . 1 . . . . 46 ARG NE . 10195 1 507 . 1 1 46 46 ARG HE H 1 7.468 0.030 . 1 . . . . 46 ARG HE . 10195 1 508 . 1 1 46 46 ARG C C 13 174.353 0.300 . 1 . . . . 46 ARG C . 10195 1 509 . 1 1 47 47 LYS N N 15 124.397 0.300 . 1 . . . . 47 LYS N . 10195 1 510 . 1 1 47 47 LYS H H 1 9.254 0.030 . 1 . . . . 47 LYS H . 10195 1 511 . 1 1 47 47 LYS CA C 13 56.832 0.300 . 1 . . . . 47 LYS CA . 10195 1 512 . 1 1 47 47 LYS HA H 1 4.353 0.030 . 1 . . . . 47 LYS HA . 10195 1 513 . 1 1 47 47 LYS CB C 13 32.868 0.300 . 1 . . . . 47 LYS CB . 10195 1 514 . 1 1 47 47 LYS HB2 H 1 1.509 0.030 . 2 . . . . 47 LYS HB2 . 10195 1 515 . 1 1 47 47 LYS HB3 H 1 1.816 0.030 . 2 . . . . 47 LYS HB3 . 10195 1 516 . 1 1 47 47 LYS CG C 13 25.499 0.300 . 1 . . . . 47 LYS CG . 10195 1 517 . 1 1 47 47 LYS HG2 H 1 1.053 0.030 . 2 . . . . 47 LYS HG2 . 10195 1 518 . 1 1 47 47 LYS HG3 H 1 0.866 0.030 . 2 . . . . 47 LYS HG3 . 10195 1 519 . 1 1 47 47 LYS CD C 13 29.373 0.300 . 1 . . . . 47 LYS CD . 10195 1 520 . 1 1 47 47 LYS HD2 H 1 1.441 0.030 . 2 . . . . 47 LYS HD2 . 10195 1 521 . 1 1 47 47 LYS HD3 H 1 1.398 0.030 . 2 . . . . 47 LYS HD3 . 10195 1 522 . 1 1 47 47 LYS CE C 13 42.037 0.300 . 1 . . . . 47 LYS CE . 10195 1 523 . 1 1 47 47 LYS HE2 H 1 2.785 0.030 . 2 . . . . 47 LYS HE2 . 10195 1 524 . 1 1 47 47 LYS HE3 H 1 2.635 0.030 . 2 . . . . 47 LYS HE3 . 10195 1 525 . 1 1 47 47 LYS C C 13 176.540 0.300 . 1 . . . . 47 LYS C . 10195 1 526 . 1 1 48 48 VAL N N 15 126.203 0.300 . 1 . . . . 48 VAL N . 10195 1 527 . 1 1 48 48 VAL H H 1 8.289 0.030 . 1 . . . . 48 VAL H . 10195 1 528 . 1 1 48 48 VAL CA C 13 63.966 0.300 . 1 . . . . 48 VAL CA . 10195 1 529 . 1 1 48 48 VAL HA H 1 3.784 0.030 . 1 . . . . 48 VAL HA . 10195 1 530 . 1 1 48 48 VAL CB C 13 33.030 0.300 . 1 . . . . 48 VAL CB . 10195 1 531 . 1 1 48 48 VAL HB H 1 1.742 0.030 . 1 . . . . 48 VAL HB . 10195 1 532 . 1 1 48 48 VAL CG1 C 13 21.033 0.300 . 2 . . . . 48 VAL CG1 . 10195 1 533 . 1 1 48 48 VAL HG11 H 1 0.795 0.030 . 1 . . . . 48 VAL HG1 . 10195 1 534 . 1 1 48 48 VAL HG12 H 1 0.795 0.030 . 1 . . . . 48 VAL HG1 . 10195 1 535 . 1 1 48 48 VAL HG13 H 1 0.795 0.030 . 1 . . . . 48 VAL HG1 . 10195 1 536 . 1 1 48 48 VAL CG2 C 13 21.172 0.300 . 2 . . . . 48 VAL CG2 . 10195 1 537 . 1 1 48 48 VAL HG21 H 1 0.745 0.030 . 1 . . . . 48 VAL HG2 . 10195 1 538 . 1 1 48 48 VAL HG22 H 1 0.745 0.030 . 1 . . . . 48 VAL HG2 . 10195 1 539 . 1 1 48 48 VAL HG23 H 1 0.745 0.030 . 1 . . . . 48 VAL HG2 . 10195 1 540 . 1 1 48 48 VAL C C 13 175.547 0.300 . 1 . . . . 48 VAL C . 10195 1 541 . 1 1 49 49 ASN N N 15 115.717 0.300 . 1 . . . . 49 ASN N . 10195 1 542 . 1 1 49 49 ASN H H 1 8.167 0.030 . 1 . . . . 49 ASN H . 10195 1 543 . 1 1 49 49 ASN CA C 13 52.768 0.300 . 1 . . . . 49 ASN CA . 10195 1 544 . 1 1 49 49 ASN HA H 1 4.428 0.030 . 1 . . . . 49 ASN HA . 10195 1 545 . 1 1 49 49 ASN CB C 13 37.683 0.300 . 1 . . . . 49 ASN CB . 10195 1 546 . 1 1 49 49 ASN HB2 H 1 3.185 0.030 . 2 . . . . 49 ASN HB2 . 10195 1 547 . 1 1 49 49 ASN HB3 H 1 3.091 0.030 . 2 . . . . 49 ASN HB3 . 10195 1 548 . 1 1 49 49 ASN ND2 N 15 112.521 0.300 . 1 . . . . 49 ASN ND2 . 10195 1 549 . 1 1 49 49 ASN HD21 H 1 6.271 0.030 . 2 . . . . 49 ASN HD21 . 10195 1 550 . 1 1 49 49 ASN HD22 H 1 7.500 0.030 . 2 . . . . 49 ASN HD22 . 10195 1 551 . 1 1 49 49 ASN C C 13 174.537 0.300 . 1 . . . . 49 ASN C . 10195 1 552 . 1 1 50 50 GLU N N 15 114.361 0.300 . 1 . . . . 50 GLU N . 10195 1 553 . 1 1 50 50 GLU H H 1 8.781 0.030 . 1 . . . . 50 GLU H . 10195 1 554 . 1 1 50 50 GLU CA C 13 59.835 0.300 . 1 . . . . 50 GLU CA . 10195 1 555 . 1 1 50 50 GLU HA H 1 3.947 0.030 . 1 . . . . 50 GLU HA . 10195 1 556 . 1 1 50 50 GLU CB C 13 29.534 0.300 . 1 . . . . 50 GLU CB . 10195 1 557 . 1 1 50 50 GLU HB2 H 1 2.028 0.030 . 1 . . . . 50 GLU HB2 . 10195 1 558 . 1 1 50 50 GLU HB3 H 1 2.028 0.030 . 1 . . . . 50 GLU HB3 . 10195 1 559 . 1 1 50 50 GLU CG C 13 36.146 0.300 . 1 . . . . 50 GLU CG . 10195 1 560 . 1 1 50 50 GLU HG2 H 1 2.296 0.030 . 1 . . . . 50 GLU HG2 . 10195 1 561 . 1 1 50 50 GLU HG3 H 1 2.296 0.030 . 1 . . . . 50 GLU HG3 . 10195 1 562 . 1 1 50 50 GLU C C 13 176.796 0.300 . 1 . . . . 50 GLU C . 10195 1 563 . 1 1 51 51 ASN N N 15 112.673 0.300 . 1 . . . . 51 ASN N . 10195 1 564 . 1 1 51 51 ASN H H 1 8.535 0.030 . 1 . . . . 51 ASN H . 10195 1 565 . 1 1 51 51 ASN CA C 13 53.328 0.300 . 1 . . . . 51 ASN CA . 10195 1 566 . 1 1 51 51 ASN HA H 1 4.968 0.030 . 1 . . . . 51 ASN HA . 10195 1 567 . 1 1 51 51 ASN CB C 13 41.171 0.300 . 1 . . . . 51 ASN CB . 10195 1 568 . 1 1 51 51 ASN HB2 H 1 2.829 0.030 . 1 . . . . 51 ASN HB2 . 10195 1 569 . 1 1 51 51 ASN HB3 H 1 2.829 0.030 . 1 . . . . 51 ASN HB3 . 10195 1 570 . 1 1 51 51 ASN ND2 N 15 113.616 0.300 . 1 . . . . 51 ASN ND2 . 10195 1 571 . 1 1 51 51 ASN HD21 H 1 7.018 0.030 . 2 . . . . 51 ASN HD21 . 10195 1 572 . 1 1 51 51 ASN HD22 H 1 7.643 0.030 . 2 . . . . 51 ASN HD22 . 10195 1 573 . 1 1 51 51 ASN C C 13 174.756 0.300 . 1 . . . . 51 ASN C . 10195 1 574 . 1 1 52 52 TRP N N 15 121.399 0.300 . 1 . . . . 52 TRP N . 10195 1 575 . 1 1 52 52 TRP H H 1 7.726 0.030 . 1 . . . . 52 TRP H . 10195 1 576 . 1 1 52 52 TRP CA C 13 57.485 0.300 . 1 . . . . 52 TRP CA . 10195 1 577 . 1 1 52 52 TRP HA H 1 5.072 0.030 . 1 . . . . 52 TRP HA . 10195 1 578 . 1 1 52 52 TRP CB C 13 31.703 0.300 . 1 . . . . 52 TRP CB . 10195 1 579 . 1 1 52 52 TRP HB2 H 1 2.804 0.030 . 1 . . . . 52 TRP HB2 . 10195 1 580 . 1 1 52 52 TRP HB3 H 1 2.804 0.030 . 1 . . . . 52 TRP HB3 . 10195 1 581 . 1 1 52 52 TRP CD1 C 13 127.852 0.300 . 1 . . . . 52 TRP CD1 . 10195 1 582 . 1 1 52 52 TRP HD1 H 1 7.568 0.030 . 1 . . . . 52 TRP HD1 . 10195 1 583 . 1 1 52 52 TRP NE1 N 15 130.645 0.300 . 1 . . . . 52 TRP NE1 . 10195 1 584 . 1 1 52 52 TRP HE1 H 1 10.285 0.030 . 1 . . . . 52 TRP HE1 . 10195 1 585 . 1 1 52 52 TRP CE3 C 13 120.521 0.300 . 1 . . . . 52 TRP CE3 . 10195 1 586 . 1 1 52 52 TRP HE3 H 1 7.252 0.030 . 1 . . . . 52 TRP HE3 . 10195 1 587 . 1 1 52 52 TRP CZ2 C 13 114.777 0.300 . 1 . . . . 52 TRP CZ2 . 10195 1 588 . 1 1 52 52 TRP HZ2 H 1 7.529 0.030 . 1 . . . . 52 TRP HZ2 . 10195 1 589 . 1 1 52 52 TRP CZ3 C 13 120.516 0.300 . 1 . . . . 52 TRP CZ3 . 10195 1 590 . 1 1 52 52 TRP HZ3 H 1 6.968 0.030 . 1 . . . . 52 TRP HZ3 . 10195 1 591 . 1 1 52 52 TRP CH2 C 13 125.300 0.300 . 1 . . . . 52 TRP CH2 . 10195 1 592 . 1 1 52 52 TRP HH2 H 1 7.400 0.030 . 1 . . . . 52 TRP HH2 . 10195 1 593 . 1 1 52 52 TRP C C 13 174.756 0.300 . 1 . . . . 52 TRP C . 10195 1 594 . 1 1 53 53 TYR N N 15 118.564 0.300 . 1 . . . . 53 TYR N . 10195 1 595 . 1 1 53 53 TYR H H 1 8.443 0.030 . 1 . . . . 53 TYR H . 10195 1 596 . 1 1 53 53 TYR CA C 13 57.305 0.300 . 1 . . . . 53 TYR CA . 10195 1 597 . 1 1 53 53 TYR HA H 1 4.978 0.030 . 1 . . . . 53 TYR HA . 10195 1 598 . 1 1 53 53 TYR CB C 13 44.030 0.300 . 1 . . . . 53 TYR CB . 10195 1 599 . 1 1 53 53 TYR HB2 H 1 2.591 0.030 . 2 . . . . 53 TYR HB2 . 10195 1 600 . 1 1 53 53 TYR HB3 H 1 1.648 0.030 . 2 . . . . 53 TYR HB3 . 10195 1 601 . 1 1 53 53 TYR CD1 C 13 132.074 0.300 . 1 . . . . 53 TYR CD1 . 10195 1 602 . 1 1 53 53 TYR HD1 H 1 6.685 0.030 . 1 . . . . 53 TYR HD1 . 10195 1 603 . 1 1 53 53 TYR CD2 C 13 132.074 0.300 . 1 . . . . 53 TYR CD2 . 10195 1 604 . 1 1 53 53 TYR HD2 H 1 6.685 0.030 . 1 . . . . 53 TYR HD2 . 10195 1 605 . 1 1 53 53 TYR CE1 C 13 118.440 0.300 . 1 . . . . 53 TYR CE1 . 10195 1 606 . 1 1 53 53 TYR HE1 H 1 6.697 0.030 . 1 . . . . 53 TYR HE1 . 10195 1 607 . 1 1 53 53 TYR CE2 C 13 118.440 0.300 . 1 . . . . 53 TYR CE2 . 10195 1 608 . 1 1 53 53 TYR HE2 H 1 6.697 0.030 . 1 . . . . 53 TYR HE2 . 10195 1 609 . 1 1 53 53 TYR C C 13 174.045 0.300 . 1 . . . . 53 TYR C . 10195 1 610 . 1 1 54 54 GLU N N 15 117.557 0.300 . 1 . . . . 54 GLU N . 10195 1 611 . 1 1 54 54 GLU H H 1 8.906 0.030 . 1 . . . . 54 GLU H . 10195 1 612 . 1 1 54 54 GLU CA C 13 54.986 0.300 . 1 . . . . 54 GLU CA . 10195 1 613 . 1 1 54 54 GLU HA H 1 5.059 0.030 . 1 . . . . 54 GLU HA . 10195 1 614 . 1 1 54 54 GLU CB C 13 32.458 0.300 . 1 . . . . 54 GLU CB . 10195 1 615 . 1 1 54 54 GLU HB2 H 1 1.706 0.030 . 2 . . . . 54 GLU HB2 . 10195 1 616 . 1 1 54 54 GLU HB3 H 1 2.049 0.030 . 2 . . . . 54 GLU HB3 . 10195 1 617 . 1 1 54 54 GLU CG C 13 36.399 0.300 . 1 . . . . 54 GLU CG . 10195 1 618 . 1 1 54 54 GLU HG2 H 1 2.235 0.030 . 2 . . . . 54 GLU HG2 . 10195 1 619 . 1 1 54 54 GLU HG3 H 1 2.150 0.030 . 2 . . . . 54 GLU HG3 . 10195 1 620 . 1 1 54 54 GLU C C 13 176.438 0.300 . 1 . . . . 54 GLU C . 10195 1 621 . 1 1 55 55 GLY N N 15 114.051 0.300 . 1 . . . . 55 GLY N . 10195 1 622 . 1 1 55 55 GLY H H 1 9.556 0.030 . 1 . . . . 55 GLY H . 10195 1 623 . 1 1 55 55 GLY CA C 13 45.816 0.300 . 1 . . . . 55 GLY CA . 10195 1 624 . 1 1 55 55 GLY HA2 H 1 5.166 0.030 . 2 . . . . 55 GLY HA2 . 10195 1 625 . 1 1 55 55 GLY HA3 H 1 3.929 0.030 . 2 . . . . 55 GLY HA3 . 10195 1 626 . 1 1 55 55 GLY C C 13 169.584 0.300 . 1 . . . . 55 GLY C . 10195 1 627 . 1 1 56 56 ARG N N 15 116.523 0.300 . 1 . . . . 56 ARG N . 10195 1 628 . 1 1 56 56 ARG H H 1 9.093 0.030 . 1 . . . . 56 ARG H . 10195 1 629 . 1 1 56 56 ARG CA C 13 53.977 0.300 . 1 . . . . 56 ARG CA . 10195 1 630 . 1 1 56 56 ARG HA H 1 5.528 0.030 . 1 . . . . 56 ARG HA . 10195 1 631 . 1 1 56 56 ARG CB C 13 34.963 0.300 . 1 . . . . 56 ARG CB . 10195 1 632 . 1 1 56 56 ARG HB2 H 1 1.677 0.030 . 2 . . . . 56 ARG HB2 . 10195 1 633 . 1 1 56 56 ARG HB3 H 1 1.829 0.030 . 2 . . . . 56 ARG HB3 . 10195 1 634 . 1 1 56 56 ARG CG C 13 26.710 0.300 . 1 . . . . 56 ARG CG . 10195 1 635 . 1 1 56 56 ARG HG2 H 1 1.398 0.030 . 1 . . . . 56 ARG HG2 . 10195 1 636 . 1 1 56 56 ARG HG3 H 1 1.398 0.030 . 1 . . . . 56 ARG HG3 . 10195 1 637 . 1 1 56 56 ARG CD C 13 43.618 0.300 . 1 . . . . 56 ARG CD . 10195 1 638 . 1 1 56 56 ARG HD2 H 1 3.231 0.030 . 2 . . . . 56 ARG HD2 . 10195 1 639 . 1 1 56 56 ARG HD3 H 1 3.155 0.030 . 2 . . . . 56 ARG HD3 . 10195 1 640 . 1 1 56 56 ARG C C 13 174.325 0.300 . 1 . . . . 56 ARG C . 10195 1 641 . 1 1 57 57 ILE N N 15 123.690 0.300 . 1 . . . . 57 ILE N . 10195 1 642 . 1 1 57 57 ILE H H 1 8.230 0.030 . 1 . . . . 57 ILE H . 10195 1 643 . 1 1 57 57 ILE CA C 13 59.706 0.300 . 1 . . . . 57 ILE CA . 10195 1 644 . 1 1 57 57 ILE HA H 1 4.585 0.030 . 1 . . . . 57 ILE HA . 10195 1 645 . 1 1 57 57 ILE CB C 13 35.623 0.300 . 1 . . . . 57 ILE CB . 10195 1 646 . 1 1 57 57 ILE HB H 1 2.141 0.030 . 1 . . . . 57 ILE HB . 10195 1 647 . 1 1 57 57 ILE CG1 C 13 26.862 0.300 . 1 . . . . 57 ILE CG1 . 10195 1 648 . 1 1 57 57 ILE HG12 H 1 1.475 0.030 . 2 . . . . 57 ILE HG12 . 10195 1 649 . 1 1 57 57 ILE HG13 H 1 1.364 0.030 . 2 . . . . 57 ILE HG13 . 10195 1 650 . 1 1 57 57 ILE CG2 C 13 17.189 0.300 . 1 . . . . 57 ILE CG2 . 10195 1 651 . 1 1 57 57 ILE HG21 H 1 1.094 0.030 . 1 . . . . 57 ILE HG2 . 10195 1 652 . 1 1 57 57 ILE HG22 H 1 1.094 0.030 . 1 . . . . 57 ILE HG2 . 10195 1 653 . 1 1 57 57 ILE HG23 H 1 1.094 0.030 . 1 . . . . 57 ILE HG2 . 10195 1 654 . 1 1 57 57 ILE CD1 C 13 12.026 0.300 . 1 . . . . 57 ILE CD1 . 10195 1 655 . 1 1 57 57 ILE HD11 H 1 0.774 0.030 . 1 . . . . 57 ILE HD1 . 10195 1 656 . 1 1 57 57 ILE HD12 H 1 0.774 0.030 . 1 . . . . 57 ILE HD1 . 10195 1 657 . 1 1 57 57 ILE HD13 H 1 0.774 0.030 . 1 . . . . 57 ILE HD1 . 10195 1 658 . 1 1 57 57 ILE C C 13 177.239 0.300 . 1 . . . . 57 ILE C . 10195 1 659 . 1 1 58 58 THR N N 15 112.797 0.300 . 1 . . . . 58 THR N . 10195 1 660 . 1 1 58 58 THR H H 1 8.805 0.030 . 1 . . . . 58 THR H . 10195 1 661 . 1 1 58 58 THR CA C 13 65.598 0.300 . 1 . . . . 58 THR CA . 10195 1 662 . 1 1 58 58 THR HA H 1 3.857 0.030 . 1 . . . . 58 THR HA . 10195 1 663 . 1 1 58 58 THR CB C 13 68.553 0.300 . 1 . . . . 58 THR CB . 10195 1 664 . 1 1 58 58 THR HB H 1 4.056 0.030 . 1 . . . . 58 THR HB . 10195 1 665 . 1 1 58 58 THR CG2 C 13 22.212 0.300 . 1 . . . . 58 THR CG2 . 10195 1 666 . 1 1 58 58 THR HG21 H 1 1.239 0.030 . 1 . . . . 58 THR HG2 . 10195 1 667 . 1 1 58 58 THR HG22 H 1 1.239 0.030 . 1 . . . . 58 THR HG2 . 10195 1 668 . 1 1 58 58 THR HG23 H 1 1.239 0.030 . 1 . . . . 58 THR HG2 . 10195 1 669 . 1 1 59 59 GLY CA C 13 45.463 0.300 . 1 . . . . 59 GLY CA . 10195 1 670 . 1 1 59 59 GLY HA2 H 1 3.834 0.030 . 2 . . . . 59 GLY HA2 . 10195 1 671 . 1 1 59 59 GLY HA3 H 1 4.266 0.030 . 2 . . . . 59 GLY HA3 . 10195 1 672 . 1 1 59 59 GLY C C 13 174.543 0.300 . 1 . . . . 59 GLY C . 10195 1 673 . 1 1 60 60 THR N N 15 108.632 0.300 . 1 . . . . 60 THR N . 10195 1 674 . 1 1 60 60 THR H H 1 7.779 0.030 . 1 . . . . 60 THR H . 10195 1 675 . 1 1 60 60 THR CA C 13 61.017 0.300 . 1 . . . . 60 THR CA . 10195 1 676 . 1 1 60 60 THR HA H 1 4.892 0.030 . 1 . . . . 60 THR HA . 10195 1 677 . 1 1 60 60 THR CB C 13 72.426 0.300 . 1 . . . . 60 THR CB . 10195 1 678 . 1 1 60 60 THR HB H 1 4.389 0.030 . 1 . . . . 60 THR HB . 10195 1 679 . 1 1 60 60 THR CG2 C 13 21.398 0.300 . 1 . . . . 60 THR CG2 . 10195 1 680 . 1 1 60 60 THR HG21 H 1 1.205 0.030 . 1 . . . . 60 THR HG2 . 10195 1 681 . 1 1 60 60 THR HG22 H 1 1.205 0.030 . 1 . . . . 60 THR HG2 . 10195 1 682 . 1 1 60 60 THR HG23 H 1 1.205 0.030 . 1 . . . . 60 THR HG2 . 10195 1 683 . 1 1 60 60 THR C C 13 175.144 0.300 . 1 . . . . 60 THR C . 10195 1 684 . 1 1 61 61 GLY CA C 13 45.320 0.300 . 1 . . . . 61 GLY CA . 10195 1 685 . 1 1 61 61 GLY HA2 H 1 3.930 0.030 . 2 . . . . 61 GLY HA2 . 10195 1 686 . 1 1 61 61 GLY HA3 H 1 4.183 0.030 . 2 . . . . 61 GLY HA3 . 10195 1 687 . 1 1 61 61 GLY C C 13 174.641 0.300 . 1 . . . . 61 GLY C . 10195 1 688 . 1 1 62 62 ARG N N 15 121.575 0.300 . 1 . . . . 62 ARG N . 10195 1 689 . 1 1 62 62 ARG H H 1 8.229 0.030 . 1 . . . . 62 ARG H . 10195 1 690 . 1 1 62 62 ARG CA C 13 56.440 0.300 . 1 . . . . 62 ARG CA . 10195 1 691 . 1 1 62 62 ARG HA H 1 4.380 0.030 . 1 . . . . 62 ARG HA . 10195 1 692 . 1 1 62 62 ARG CB C 13 30.667 0.300 . 1 . . . . 62 ARG CB . 10195 1 693 . 1 1 62 62 ARG HB2 H 1 1.888 0.030 . 2 . . . . 62 ARG HB2 . 10195 1 694 . 1 1 62 62 ARG HB3 H 1 1.768 0.030 . 2 . . . . 62 ARG HB3 . 10195 1 695 . 1 1 62 62 ARG CG C 13 26.146 0.300 . 1 . . . . 62 ARG CG . 10195 1 696 . 1 1 62 62 ARG HG2 H 1 1.744 0.030 . 2 . . . . 62 ARG HG2 . 10195 1 697 . 1 1 62 62 ARG HG3 H 1 1.703 0.030 . 2 . . . . 62 ARG HG3 . 10195 1 698 . 1 1 62 62 ARG CD C 13 44.231 0.300 . 1 . . . . 62 ARG CD . 10195 1 699 . 1 1 62 62 ARG HD2 H 1 3.194 0.030 . 2 . . . . 62 ARG HD2 . 10195 1 700 . 1 1 62 62 ARG HD3 H 1 3.419 0.030 . 2 . . . . 62 ARG HD3 . 10195 1 701 . 1 1 62 62 ARG C C 13 174.530 0.300 . 1 . . . . 62 ARG C . 10195 1 702 . 1 1 63 63 GLN N N 15 124.206 0.300 . 1 . . . . 63 GLN N . 10195 1 703 . 1 1 63 63 GLN H H 1 8.473 0.030 . 1 . . . . 63 GLN H . 10195 1 704 . 1 1 63 63 GLN CA C 13 54.768 0.300 . 1 . . . . 63 GLN CA . 10195 1 705 . 1 1 63 63 GLN HA H 1 5.449 0.030 . 1 . . . . 63 GLN HA . 10195 1 706 . 1 1 63 63 GLN CB C 13 32.243 0.300 . 1 . . . . 63 GLN CB . 10195 1 707 . 1 1 63 63 GLN HB2 H 1 1.969 0.030 . 2 . . . . 63 GLN HB2 . 10195 1 708 . 1 1 63 63 GLN HB3 H 1 2.173 0.030 . 2 . . . . 63 GLN HB3 . 10195 1 709 . 1 1 63 63 GLN CG C 13 33.084 0.300 . 1 . . . . 63 GLN CG . 10195 1 710 . 1 1 63 63 GLN HG2 H 1 2.439 0.030 . 1 . . . . 63 GLN HG2 . 10195 1 711 . 1 1 63 63 GLN HG3 H 1 2.439 0.030 . 1 . . . . 63 GLN HG3 . 10195 1 712 . 1 1 63 63 GLN NE2 N 15 112.817 0.300 . 1 . . . . 63 GLN NE2 . 10195 1 713 . 1 1 63 63 GLN HE21 H 1 6.851 0.030 . 2 . . . . 63 GLN HE21 . 10195 1 714 . 1 1 63 63 GLN HE22 H 1 7.730 0.030 . 2 . . . . 63 GLN HE22 . 10195 1 715 . 1 1 63 63 GLN C C 13 174.555 0.300 . 1 . . . . 63 GLN C . 10195 1 716 . 1 1 64 64 GLY N N 15 111.132 0.300 . 1 . . . . 64 GLY N . 10195 1 717 . 1 1 64 64 GLY H H 1 8.962 0.030 . 1 . . . . 64 GLY H . 10195 1 718 . 1 1 64 64 GLY CA C 13 45.780 0.300 . 1 . . . . 64 GLY CA . 10195 1 719 . 1 1 64 64 GLY HA2 H 1 4.498 0.030 . 2 . . . . 64 GLY HA2 . 10195 1 720 . 1 1 64 64 GLY HA3 H 1 4.351 0.030 . 2 . . . . 64 GLY HA3 . 10195 1 721 . 1 1 64 64 GLY C C 13 172.117 0.300 . 1 . . . . 64 GLY C . 10195 1 722 . 1 1 65 65 ILE N N 15 114.051 0.300 . 1 . . . . 65 ILE N . 10195 1 723 . 1 1 65 65 ILE H H 1 8.824 0.030 . 1 . . . . 65 ILE H . 10195 1 724 . 1 1 65 65 ILE CA C 13 59.949 0.300 . 1 . . . . 65 ILE CA . 10195 1 725 . 1 1 65 65 ILE HA H 1 6.195 0.030 . 1 . . . . 65 ILE HA . 10195 1 726 . 1 1 65 65 ILE CB C 13 41.669 0.300 . 1 . . . . 65 ILE CB . 10195 1 727 . 1 1 65 65 ILE HB H 1 2.033 0.030 . 1 . . . . 65 ILE HB . 10195 1 728 . 1 1 65 65 ILE CG1 C 13 25.944 0.300 . 1 . . . . 65 ILE CG1 . 10195 1 729 . 1 1 65 65 ILE HG12 H 1 1.153 0.030 . 2 . . . . 65 ILE HG12 . 10195 1 730 . 1 1 65 65 ILE HG13 H 1 1.674 0.030 . 2 . . . . 65 ILE HG13 . 10195 1 731 . 1 1 65 65 ILE CG2 C 13 17.494 0.300 . 1 . . . . 65 ILE CG2 . 10195 1 732 . 1 1 65 65 ILE HG21 H 1 0.955 0.030 . 1 . . . . 65 ILE HG2 . 10195 1 733 . 1 1 65 65 ILE HG22 H 1 0.955 0.030 . 1 . . . . 65 ILE HG2 . 10195 1 734 . 1 1 65 65 ILE HG23 H 1 0.955 0.030 . 1 . . . . 65 ILE HG2 . 10195 1 735 . 1 1 65 65 ILE CD1 C 13 13.639 0.300 . 1 . . . . 65 ILE CD1 . 10195 1 736 . 1 1 65 65 ILE HD11 H 1 0.539 0.030 . 1 . . . . 65 ILE HD1 . 10195 1 737 . 1 1 65 65 ILE HD12 H 1 0.539 0.030 . 1 . . . . 65 ILE HD1 . 10195 1 738 . 1 1 65 65 ILE HD13 H 1 0.539 0.030 . 1 . . . . 65 ILE HD1 . 10195 1 739 . 1 1 65 65 ILE C C 13 176.874 0.300 . 1 . . . . 65 ILE C . 10195 1 740 . 1 1 66 66 PHE N N 15 116.902 0.300 . 1 . . . . 66 PHE N . 10195 1 741 . 1 1 66 66 PHE H H 1 8.770 0.030 . 1 . . . . 66 PHE H . 10195 1 742 . 1 1 66 66 PHE CA C 13 56.114 0.300 . 1 . . . . 66 PHE CA . 10195 1 743 . 1 1 66 66 PHE HA H 1 4.952 0.030 . 1 . . . . 66 PHE HA . 10195 1 744 . 1 1 66 66 PHE CB C 13 38.504 0.300 . 1 . . . . 66 PHE CB . 10195 1 745 . 1 1 66 66 PHE HB2 H 1 2.432 0.030 . 2 . . . . 66 PHE HB2 . 10195 1 746 . 1 1 66 66 PHE HB3 H 1 3.560 0.030 . 2 . . . . 66 PHE HB3 . 10195 1 747 . 1 1 66 66 PHE CD1 C 13 134.081 0.300 . 1 . . . . 66 PHE CD1 . 10195 1 748 . 1 1 66 66 PHE HD1 H 1 7.105 0.030 . 1 . . . . 66 PHE HD1 . 10195 1 749 . 1 1 66 66 PHE CD2 C 13 134.081 0.300 . 1 . . . . 66 PHE CD2 . 10195 1 750 . 1 1 66 66 PHE HD2 H 1 7.105 0.030 . 1 . . . . 66 PHE HD2 . 10195 1 751 . 1 1 66 66 PHE CE1 C 13 129.726 0.300 . 1 . . . . 66 PHE CE1 . 10195 1 752 . 1 1 66 66 PHE HE1 H 1 6.764 0.030 . 1 . . . . 66 PHE HE1 . 10195 1 753 . 1 1 66 66 PHE CE2 C 13 129.726 0.300 . 1 . . . . 66 PHE CE2 . 10195 1 754 . 1 1 66 66 PHE HE2 H 1 6.764 0.030 . 1 . . . . 66 PHE HE2 . 10195 1 755 . 1 1 66 66 PHE CZ C 13 128.333 0.300 . 1 . . . . 66 PHE CZ . 10195 1 756 . 1 1 66 66 PHE HZ H 1 6.598 0.030 . 1 . . . . 66 PHE HZ . 10195 1 757 . 1 1 66 66 PHE C C 13 170.992 0.300 . 1 . . . . 66 PHE C . 10195 1 758 . 1 1 67 67 PRO CA C 13 61.161 0.300 . 1 . . . . 67 PRO CA . 10195 1 759 . 1 1 67 67 PRO HA H 1 3.678 0.030 . 1 . . . . 67 PRO HA . 10195 1 760 . 1 1 67 67 PRO CB C 13 30.788 0.300 . 1 . . . . 67 PRO CB . 10195 1 761 . 1 1 67 67 PRO HB2 H 1 1.594 0.030 . 2 . . . . 67 PRO HB2 . 10195 1 762 . 1 1 67 67 PRO HB3 H 1 1.395 0.030 . 2 . . . . 67 PRO HB3 . 10195 1 763 . 1 1 67 67 PRO CG C 13 27.104 0.300 . 1 . . . . 67 PRO CG . 10195 1 764 . 1 1 67 67 PRO HG2 H 1 1.188 0.030 . 2 . . . . 67 PRO HG2 . 10195 1 765 . 1 1 67 67 PRO HG3 H 1 0.516 0.030 . 2 . . . . 67 PRO HG3 . 10195 1 766 . 1 1 67 67 PRO CD C 13 50.134 0.300 . 1 . . . . 67 PRO CD . 10195 1 767 . 1 1 67 67 PRO HD2 H 1 1.875 0.030 . 2 . . . . 67 PRO HD2 . 10195 1 768 . 1 1 67 67 PRO HD3 H 1 2.271 0.030 . 2 . . . . 67 PRO HD3 . 10195 1 769 . 1 1 67 67 PRO C C 13 177.819 0.300 . 1 . . . . 67 PRO C . 10195 1 770 . 1 1 68 68 ALA N N 15 126.195 0.300 . 1 . . . . 68 ALA N . 10195 1 771 . 1 1 68 68 ALA H H 1 8.458 0.030 . 1 . . . . 68 ALA H . 10195 1 772 . 1 1 68 68 ALA CA C 13 54.676 0.300 . 1 . . . . 68 ALA CA . 10195 1 773 . 1 1 68 68 ALA HA H 1 4.008 0.030 . 1 . . . . 68 ALA HA . 10195 1 774 . 1 1 68 68 ALA CB C 13 18.986 0.300 . 1 . . . . 68 ALA CB . 10195 1 775 . 1 1 68 68 ALA HB1 H 1 1.362 0.030 . 1 . . . . 68 ALA HB . 10195 1 776 . 1 1 68 68 ALA HB2 H 1 1.362 0.030 . 1 . . . . 68 ALA HB . 10195 1 777 . 1 1 68 68 ALA HB3 H 1 1.362 0.030 . 1 . . . . 68 ALA HB . 10195 1 778 . 1 1 68 68 ALA C C 13 178.933 0.300 . 1 . . . . 68 ALA C . 10195 1 779 . 1 1 69 69 SER N N 15 110.156 0.300 . 1 . . . . 69 SER N . 10195 1 780 . 1 1 69 69 SER H H 1 8.370 0.030 . 1 . . . . 69 SER H . 10195 1 781 . 1 1 69 69 SER CA C 13 60.250 0.300 . 1 . . . . 69 SER CA . 10195 1 782 . 1 1 69 69 SER HA H 1 4.265 0.030 . 1 . . . . 69 SER HA . 10195 1 783 . 1 1 69 69 SER CB C 13 62.718 0.300 . 1 . . . . 69 SER CB . 10195 1 784 . 1 1 69 69 SER HB2 H 1 3.972 0.030 . 2 . . . . 69 SER HB2 . 10195 1 785 . 1 1 69 69 SER HB3 H 1 3.842 0.030 . 2 . . . . 69 SER HB3 . 10195 1 786 . 1 1 69 69 SER C C 13 175.748 0.300 . 1 . . . . 69 SER C . 10195 1 787 . 1 1 70 70 TYR N N 15 119.475 0.300 . 1 . . . . 70 TYR N . 10195 1 788 . 1 1 70 70 TYR H H 1 7.728 0.030 . 1 . . . . 70 TYR H . 10195 1 789 . 1 1 70 70 TYR CA C 13 60.061 0.300 . 1 . . . . 70 TYR CA . 10195 1 790 . 1 1 70 70 TYR HA H 1 4.620 0.030 . 1 . . . . 70 TYR HA . 10195 1 791 . 1 1 70 70 TYR CB C 13 39.039 0.300 . 1 . . . . 70 TYR CB . 10195 1 792 . 1 1 70 70 TYR HB2 H 1 3.675 0.030 . 2 . . . . 70 TYR HB2 . 10195 1 793 . 1 1 70 70 TYR HB3 H 1 3.185 0.030 . 2 . . . . 70 TYR HB3 . 10195 1 794 . 1 1 70 70 TYR CD1 C 13 133.037 0.300 . 1 . . . . 70 TYR CD1 . 10195 1 795 . 1 1 70 70 TYR HD1 H 1 7.108 0.030 . 1 . . . . 70 TYR HD1 . 10195 1 796 . 1 1 70 70 TYR CD2 C 13 133.037 0.300 . 1 . . . . 70 TYR CD2 . 10195 1 797 . 1 1 70 70 TYR HD2 H 1 7.108 0.030 . 1 . . . . 70 TYR HD2 . 10195 1 798 . 1 1 70 70 TYR CE1 C 13 118.258 0.300 . 1 . . . . 70 TYR CE1 . 10195 1 799 . 1 1 70 70 TYR HE1 H 1 6.853 0.030 . 1 . . . . 70 TYR HE1 . 10195 1 800 . 1 1 70 70 TYR CE2 C 13 118.258 0.300 . 1 . . . . 70 TYR CE2 . 10195 1 801 . 1 1 70 70 TYR HE2 H 1 6.853 0.030 . 1 . . . . 70 TYR HE2 . 10195 1 802 . 1 1 70 70 TYR C C 13 176.140 0.300 . 1 . . . . 70 TYR C . 10195 1 803 . 1 1 71 71 VAL N N 15 110.320 0.300 . 1 . . . . 71 VAL N . 10195 1 804 . 1 1 71 71 VAL H H 1 8.064 0.030 . 1 . . . . 71 VAL H . 10195 1 805 . 1 1 71 71 VAL CA C 13 58.737 0.300 . 1 . . . . 71 VAL CA . 10195 1 806 . 1 1 71 71 VAL HA H 1 5.073 0.030 . 1 . . . . 71 VAL HA . 10195 1 807 . 1 1 71 71 VAL CB C 13 35.550 0.300 . 1 . . . . 71 VAL CB . 10195 1 808 . 1 1 71 71 VAL HB H 1 1.703 0.030 . 1 . . . . 71 VAL HB . 10195 1 809 . 1 1 71 71 VAL CG1 C 13 22.666 0.300 . 2 . . . . 71 VAL CG1 . 10195 1 810 . 1 1 71 71 VAL HG11 H 1 0.437 0.030 . 1 . . . . 71 VAL HG1 . 10195 1 811 . 1 1 71 71 VAL HG12 H 1 0.437 0.030 . 1 . . . . 71 VAL HG1 . 10195 1 812 . 1 1 71 71 VAL HG13 H 1 0.437 0.030 . 1 . . . . 71 VAL HG1 . 10195 1 813 . 1 1 71 71 VAL CG2 C 13 18.593 0.300 . 2 . . . . 71 VAL CG2 . 10195 1 814 . 1 1 71 71 VAL HG21 H 1 0.859 0.030 . 1 . . . . 71 VAL HG2 . 10195 1 815 . 1 1 71 71 VAL HG22 H 1 0.859 0.030 . 1 . . . . 71 VAL HG2 . 10195 1 816 . 1 1 71 71 VAL HG23 H 1 0.859 0.030 . 1 . . . . 71 VAL HG2 . 10195 1 817 . 1 1 71 71 VAL C C 13 173.044 0.300 . 1 . . . . 71 VAL C . 10195 1 818 . 1 1 72 72 GLN N N 15 119.621 0.300 . 1 . . . . 72 GLN N . 10195 1 819 . 1 1 72 72 GLN H H 1 8.448 0.030 . 1 . . . . 72 GLN H . 10195 1 820 . 1 1 72 72 GLN CA C 13 54.351 0.300 . 1 . . . . 72 GLN CA . 10195 1 821 . 1 1 72 72 GLN HA H 1 4.724 0.030 . 1 . . . . 72 GLN HA . 10195 1 822 . 1 1 72 72 GLN CB C 13 30.373 0.300 . 1 . . . . 72 GLN CB . 10195 1 823 . 1 1 72 72 GLN HB2 H 1 1.968 0.030 . 2 . . . . 72 GLN HB2 . 10195 1 824 . 1 1 72 72 GLN HB3 H 1 1.802 0.030 . 2 . . . . 72 GLN HB3 . 10195 1 825 . 1 1 72 72 GLN CG C 13 33.865 0.300 . 1 . . . . 72 GLN CG . 10195 1 826 . 1 1 72 72 GLN HG2 H 1 2.091 0.030 . 2 . . . . 72 GLN HG2 . 10195 1 827 . 1 1 72 72 GLN HG3 H 1 2.178 0.030 . 2 . . . . 72 GLN HG3 . 10195 1 828 . 1 1 72 72 GLN NE2 N 15 111.575 0.300 . 1 . . . . 72 GLN NE2 . 10195 1 829 . 1 1 72 72 GLN HE21 H 1 7.366 0.030 . 2 . . . . 72 GLN HE21 . 10195 1 830 . 1 1 72 72 GLN HE22 H 1 6.738 0.030 . 2 . . . . 72 GLN HE22 . 10195 1 831 . 1 1 72 72 GLN C C 13 176.050 0.300 . 1 . . . . 72 GLN C . 10195 1 832 . 1 1 73 73 VAL N N 15 130.439 0.300 . 1 . . . . 73 VAL N . 10195 1 833 . 1 1 73 73 VAL H H 1 9.369 0.030 . 1 . . . . 73 VAL H . 10195 1 834 . 1 1 73 73 VAL CA C 13 63.957 0.300 . 1 . . . . 73 VAL CA . 10195 1 835 . 1 1 73 73 VAL HA H 1 3.856 0.030 . 1 . . . . 73 VAL HA . 10195 1 836 . 1 1 73 73 VAL CB C 13 32.616 0.300 . 1 . . . . 73 VAL CB . 10195 1 837 . 1 1 73 73 VAL HB H 1 2.045 0.030 . 1 . . . . 73 VAL HB . 10195 1 838 . 1 1 73 73 VAL CG1 C 13 21.783 0.300 . 2 . . . . 73 VAL CG1 . 10195 1 839 . 1 1 73 73 VAL HG11 H 1 0.880 0.030 . 1 . . . . 73 VAL HG1 . 10195 1 840 . 1 1 73 73 VAL HG12 H 1 0.880 0.030 . 1 . . . . 73 VAL HG1 . 10195 1 841 . 1 1 73 73 VAL HG13 H 1 0.880 0.030 . 1 . . . . 73 VAL HG1 . 10195 1 842 . 1 1 73 73 VAL CG2 C 13 20.435 0.300 . 2 . . . . 73 VAL CG2 . 10195 1 843 . 1 1 73 73 VAL HG21 H 1 0.716 0.030 . 1 . . . . 73 VAL HG2 . 10195 1 844 . 1 1 73 73 VAL HG22 H 1 0.716 0.030 . 1 . . . . 73 VAL HG2 . 10195 1 845 . 1 1 73 73 VAL HG23 H 1 0.716 0.030 . 1 . . . . 73 VAL HG2 . 10195 1 846 . 1 1 73 73 VAL C C 13 176.043 0.300 . 1 . . . . 73 VAL C . 10195 1 847 . 1 1 74 74 SER N N 15 123.766 0.300 . 1 . . . . 74 SER N . 10195 1 848 . 1 1 74 74 SER H H 1 8.708 0.030 . 1 . . . . 74 SER H . 10195 1 849 . 1 1 74 74 SER CA C 13 58.930 0.300 . 1 . . . . 74 SER CA . 10195 1 850 . 1 1 74 74 SER HA H 1 4.627 0.030 . 1 . . . . 74 SER HA . 10195 1 851 . 1 1 74 74 SER CB C 13 63.548 0.300 . 1 . . . . 74 SER CB . 10195 1 852 . 1 1 74 74 SER HB2 H 1 3.790 0.030 . 1 . . . . 74 SER HB2 . 10195 1 853 . 1 1 74 74 SER HB3 H 1 3.790 0.030 . 1 . . . . 74 SER HB3 . 10195 1 854 . 1 1 74 74 SER C C 13 174.821 0.300 . 1 . . . . 74 SER C . 10195 1 855 . 1 1 75 75 ARG N N 15 122.335 0.300 . 1 . . . . 75 ARG N . 10195 1 856 . 1 1 75 75 ARG H H 1 7.690 0.030 . 1 . . . . 75 ARG H . 10195 1 857 . 1 1 75 75 ARG CA C 13 56.185 0.300 . 1 . . . . 75 ARG CA . 10195 1 858 . 1 1 75 75 ARG HA H 1 4.526 0.030 . 1 . . . . 75 ARG HA . 10195 1 859 . 1 1 75 75 ARG CB C 13 33.734 0.300 . 1 . . . . 75 ARG CB . 10195 1 860 . 1 1 75 75 ARG HB2 H 1 1.860 0.030 . 2 . . . . 75 ARG HB2 . 10195 1 861 . 1 1 75 75 ARG HB3 H 1 1.688 0.030 . 2 . . . . 75 ARG HB3 . 10195 1 862 . 1 1 75 75 ARG CG C 13 27.865 0.300 . 1 . . . . 75 ARG CG . 10195 1 863 . 1 1 75 75 ARG HG2 H 1 1.686 0.030 . 1 . . . . 75 ARG HG2 . 10195 1 864 . 1 1 75 75 ARG HG3 H 1 1.686 0.030 . 1 . . . . 75 ARG HG3 . 10195 1 865 . 1 1 75 75 ARG CD C 13 43.444 0.300 . 1 . . . . 75 ARG CD . 10195 1 866 . 1 1 75 75 ARG HD2 H 1 3.302 0.030 . 1 . . . . 75 ARG HD2 . 10195 1 867 . 1 1 75 75 ARG HD3 H 1 3.302 0.030 . 1 . . . . 75 ARG HD3 . 10195 1 868 . 1 1 75 75 ARG C C 13 174.824 0.300 . 1 . . . . 75 ARG C . 10195 1 869 . 1 1 76 76 GLU N N 15 126.797 0.300 . 1 . . . . 76 GLU N . 10195 1 870 . 1 1 76 76 GLU H H 1 8.916 0.030 . 1 . . . . 76 GLU H . 10195 1 871 . 1 1 76 76 GLU CA C 13 54.874 0.300 . 1 . . . . 76 GLU CA . 10195 1 872 . 1 1 76 76 GLU HA H 1 4.561 0.030 . 1 . . . . 76 GLU HA . 10195 1 873 . 1 1 76 76 GLU CB C 13 28.925 0.300 . 1 . . . . 76 GLU CB . 10195 1 874 . 1 1 76 76 GLU HB2 H 1 2.184 0.030 . 2 . . . . 76 GLU HB2 . 10195 1 875 . 1 1 76 76 GLU HB3 H 1 1.719 0.030 . 2 . . . . 76 GLU HB3 . 10195 1 876 . 1 1 76 76 GLU CG C 13 34.696 0.300 . 1 . . . . 76 GLU CG . 10195 1 877 . 1 1 76 76 GLU HG2 H 1 2.299 0.030 . 2 . . . . 76 GLU HG2 . 10195 1 878 . 1 1 76 76 GLU HG3 H 1 2.473 0.030 . 2 . . . . 76 GLU HG3 . 10195 1 879 . 1 1 76 76 GLU C C 13 175.557 0.300 . 1 . . . . 76 GLU C . 10195 1 880 . 1 1 77 77 PRO CA C 13 62.726 0.300 . 1 . . . . 77 PRO CA . 10195 1 881 . 1 1 77 77 PRO HA H 1 4.584 0.030 . 1 . . . . 77 PRO HA . 10195 1 882 . 1 1 77 77 PRO CB C 13 32.153 0.300 . 1 . . . . 77 PRO CB . 10195 1 883 . 1 1 77 77 PRO HB2 H 1 2.207 0.030 . 2 . . . . 77 PRO HB2 . 10195 1 884 . 1 1 77 77 PRO HB3 H 1 1.969 0.030 . 2 . . . . 77 PRO HB3 . 10195 1 885 . 1 1 77 77 PRO CG C 13 26.883 0.300 . 1 . . . . 77 PRO CG . 10195 1 886 . 1 1 77 77 PRO HG2 H 1 2.163 0.030 . 2 . . . . 77 PRO HG2 . 10195 1 887 . 1 1 77 77 PRO HG3 H 1 1.658 0.030 . 2 . . . . 77 PRO HG3 . 10195 1 888 . 1 1 77 77 PRO CD C 13 49.527 0.300 . 1 . . . . 77 PRO CD . 10195 1 889 . 1 1 77 77 PRO HD2 H 1 3.560 0.030 . 2 . . . . 77 PRO HD2 . 10195 1 890 . 1 1 77 77 PRO HD3 H 1 4.356 0.030 . 2 . . . . 77 PRO HD3 . 10195 1 891 . 1 1 78 78 ARG N N 15 120.959 0.300 . 1 . . . . 78 ARG N . 10195 1 892 . 1 1 78 78 ARG H H 1 8.814 0.030 . 1 . . . . 78 ARG H . 10195 1 893 . 1 1 78 78 ARG CA C 13 55.491 0.300 . 1 . . . . 78 ARG CA . 10195 1 894 . 1 1 78 78 ARG HA H 1 4.743 0.030 . 1 . . . . 78 ARG HA . 10195 1 895 . 1 1 78 78 ARG CB C 13 33.443 0.300 . 1 . . . . 78 ARG CB . 10195 1 896 . 1 1 78 78 ARG HB2 H 1 1.730 0.030 . 2 . . . . 78 ARG HB2 . 10195 1 897 . 1 1 78 78 ARG HB3 H 1 1.850 0.030 . 2 . . . . 78 ARG HB3 . 10195 1 898 . 1 1 78 78 ARG CG C 13 27.200 0.300 . 1 . . . . 78 ARG CG . 10195 1 899 . 1 1 78 78 ARG HG2 H 1 1.560 0.030 . 2 . . . . 78 ARG HG2 . 10195 1 900 . 1 1 78 78 ARG HG3 H 1 1.661 0.030 . 2 . . . . 78 ARG HG3 . 10195 1 901 . 1 1 78 78 ARG CD C 13 43.606 0.300 . 1 . . . . 78 ARG CD . 10195 1 902 . 1 1 78 78 ARG HD2 H 1 3.235 0.030 . 2 . . . . 78 ARG HD2 . 10195 1 903 . 1 1 78 78 ARG HD3 H 1 3.175 0.030 . 2 . . . . 78 ARG HD3 . 10195 1 904 . 1 1 79 79 LEU N N 15 125.756 0.300 . 1 . . . . 79 LEU N . 10195 1 905 . 1 1 79 79 LEU H H 1 8.789 0.030 . 1 . . . . 79 LEU H . 10195 1 906 . 1 1 79 79 LEU CA C 13 54.346 0.300 . 1 . . . . 79 LEU CA . 10195 1 907 . 1 1 79 79 LEU HA H 1 5.007 0.030 . 1 . . . . 79 LEU HA . 10195 1 908 . 1 1 79 79 LEU CB C 13 44.609 0.300 . 1 . . . . 79 LEU CB . 10195 1 909 . 1 1 79 79 LEU HB2 H 1 1.616 0.030 . 2 . . . . 79 LEU HB2 . 10195 1 910 . 1 1 79 79 LEU HB3 H 1 1.548 0.030 . 2 . . . . 79 LEU HB3 . 10195 1 911 . 1 1 79 79 LEU CG C 13 27.855 0.300 . 1 . . . . 79 LEU CG . 10195 1 912 . 1 1 79 79 LEU HG H 1 1.615 0.030 . 1 . . . . 79 LEU HG . 10195 1 913 . 1 1 79 79 LEU CD1 C 13 24.913 0.300 . 2 . . . . 79 LEU CD1 . 10195 1 914 . 1 1 79 79 LEU HD11 H 1 0.832 0.030 . 1 . . . . 79 LEU HD1 . 10195 1 915 . 1 1 79 79 LEU HD12 H 1 0.832 0.030 . 1 . . . . 79 LEU HD1 . 10195 1 916 . 1 1 79 79 LEU HD13 H 1 0.832 0.030 . 1 . . . . 79 LEU HD1 . 10195 1 917 . 1 1 80 80 ARG N N 15 121.792 0.300 . 1 . . . . 80 ARG N . 10195 1 918 . 1 1 80 80 ARG H H 1 8.908 0.030 . 1 . . . . 80 ARG H . 10195 1 919 . 1 1 80 80 ARG CA C 13 54.966 0.300 . 1 . . . . 80 ARG CA . 10195 1 920 . 1 1 80 80 ARG HA H 1 4.611 0.030 . 1 . . . . 80 ARG HA . 10195 1 921 . 1 1 80 80 ARG CB C 13 32.686 0.300 . 1 . . . . 80 ARG CB . 10195 1 922 . 1 1 80 80 ARG HB2 H 1 1.701 0.030 . 2 . . . . 80 ARG HB2 . 10195 1 923 . 1 1 80 80 ARG HB3 H 1 1.810 0.030 . 2 . . . . 80 ARG HB3 . 10195 1 924 . 1 1 81 81 LEU N N 15 126.556 0.300 . 1 . . . . 81 LEU N . 10195 1 925 . 1 1 81 81 LEU H H 1 8.702 0.030 . 1 . . . . 81 LEU H . 10195 1 926 . 1 1 81 81 LEU CA C 13 55.199 0.300 . 1 . . . . 81 LEU CA . 10195 1 927 . 1 1 81 81 LEU HA H 1 4.472 0.030 . 1 . . . . 81 LEU HA . 10195 1 928 . 1 1 81 81 LEU CB C 13 42.368 0.300 . 1 . . . . 81 LEU CB . 10195 1 929 . 1 1 81 81 LEU HB2 H 1 1.648 0.030 . 2 . . . . 81 LEU HB2 . 10195 1 930 . 1 1 81 81 LEU HB3 H 1 1.608 0.030 . 2 . . . . 81 LEU HB3 . 10195 1 931 . 1 1 81 81 LEU CG C 13 27.142 0.300 . 1 . . . . 81 LEU CG . 10195 1 932 . 1 1 81 81 LEU HG H 1 1.607 0.030 . 1 . . . . 81 LEU HG . 10195 1 933 . 1 1 81 81 LEU CD1 C 13 23.959 0.300 . 2 . . . . 81 LEU CD1 . 10195 1 934 . 1 1 81 81 LEU HD11 H 1 0.830 0.030 . 1 . . . . 81 LEU HD1 . 10195 1 935 . 1 1 81 81 LEU HD12 H 1 0.830 0.030 . 1 . . . . 81 LEU HD1 . 10195 1 936 . 1 1 81 81 LEU HD13 H 1 0.830 0.030 . 1 . . . . 81 LEU HD1 . 10195 1 937 . 1 1 81 81 LEU CD2 C 13 24.733 0.300 . 2 . . . . 81 LEU CD2 . 10195 1 938 . 1 1 81 81 LEU HD21 H 1 0.859 0.030 . 1 . . . . 81 LEU HD2 . 10195 1 939 . 1 1 81 81 LEU HD22 H 1 0.859 0.030 . 1 . . . . 81 LEU HD2 . 10195 1 940 . 1 1 81 81 LEU HD23 H 1 0.859 0.030 . 1 . . . . 81 LEU HD2 . 10195 1 941 . 1 1 82 82 CYS N N 15 121.583 0.300 . 1 . . . . 82 CYS N . 10195 1 942 . 1 1 82 82 CYS H H 1 8.466 0.030 . 1 . . . . 82 CYS H . 10195 1 943 . 1 1 82 82 CYS CA C 13 58.583 0.300 . 1 . . . . 82 CYS CA . 10195 1 944 . 1 1 82 82 CYS HA H 1 4.475 0.030 . 1 . . . . 82 CYS HA . 10195 1 945 . 1 1 82 82 CYS CB C 13 28.438 0.300 . 1 . . . . 82 CYS CB . 10195 1 946 . 1 1 82 82 CYS HB2 H 1 2.872 0.030 . 2 . . . . 82 CYS HB2 . 10195 1 947 . 1 1 82 82 CYS HB3 H 1 2.739 0.030 . 2 . . . . 82 CYS HB3 . 10195 1 948 . 1 1 83 83 ASP N N 15 122.639 0.300 . 1 . . . . 83 ASP N . 10195 1 949 . 1 1 83 83 ASP H H 1 8.400 0.030 . 1 . . . . 83 ASP H . 10195 1 950 . 1 1 83 83 ASP CA C 13 54.210 0.300 . 1 . . . . 83 ASP CA . 10195 1 951 . 1 1 83 83 ASP HA H 1 4.654 0.030 . 1 . . . . 83 ASP HA . 10195 1 952 . 1 1 83 83 ASP CB C 13 41.291 0.300 . 1 . . . . 83 ASP CB . 10195 1 953 . 1 1 83 83 ASP HB2 H 1 2.685 0.030 . 1 . . . . 83 ASP HB2 . 10195 1 954 . 1 1 83 83 ASP HB3 H 1 2.685 0.030 . 1 . . . . 83 ASP HB3 . 10195 1 955 . 1 1 83 83 ASP C C 13 175.900 0.300 . 1 . . . . 83 ASP C . 10195 1 956 . 1 1 84 84 ASP N N 15 121.113 0.300 . 1 . . . . 84 ASP N . 10195 1 957 . 1 1 84 84 ASP H H 1 8.310 0.030 . 1 . . . . 84 ASP H . 10195 1 958 . 1 1 84 84 ASP CA C 13 54.330 0.300 . 1 . . . . 84 ASP CA . 10195 1 959 . 1 1 84 84 ASP HA H 1 4.650 0.030 . 1 . . . . 84 ASP HA . 10195 1 960 . 1 1 84 84 ASP CB C 13 41.283 0.300 . 1 . . . . 84 ASP CB . 10195 1 961 . 1 1 84 84 ASP HB2 H 1 2.682 0.030 . 1 . . . . 84 ASP HB2 . 10195 1 962 . 1 1 84 84 ASP HB3 H 1 2.682 0.030 . 1 . . . . 84 ASP HB3 . 10195 1 963 . 1 1 84 84 ASP C C 13 176.407 0.300 . 1 . . . . 84 ASP C . 10195 1 964 . 1 1 85 85 SER N N 15 116.212 0.300 . 1 . . . . 85 SER N . 10195 1 965 . 1 1 85 85 SER H H 1 8.332 0.030 . 1 . . . . 85 SER H . 10195 1 966 . 1 1 85 85 SER CA C 13 58.819 0.300 . 1 . . . . 85 SER CA . 10195 1 967 . 1 1 85 85 SER HA H 1 4.438 0.030 . 1 . . . . 85 SER HA . 10195 1 968 . 1 1 85 85 SER CB C 13 63.961 0.300 . 1 . . . . 85 SER CB . 10195 1 969 . 1 1 85 85 SER HB2 H 1 3.927 0.030 . 2 . . . . 85 SER HB2 . 10195 1 970 . 1 1 85 85 SER HB3 H 1 3.872 0.030 . 2 . . . . 85 SER HB3 . 10195 1 971 . 1 1 85 85 SER C C 13 174.867 0.300 . 1 . . . . 85 SER C . 10195 1 972 . 1 1 86 86 GLY N N 15 110.652 0.300 . 1 . . . . 86 GLY N . 10195 1 973 . 1 1 86 86 GLY H H 1 8.251 0.030 . 1 . . . . 86 GLY H . 10195 1 974 . 1 1 86 86 GLY CA C 13 44.758 0.300 . 1 . . . . 86 GLY CA . 10195 1 975 . 1 1 86 86 GLY HA2 H 1 4.109 0.030 . 1 . . . . 86 GLY HA2 . 10195 1 976 . 1 1 86 86 GLY HA3 H 1 4.109 0.030 . 1 . . . . 86 GLY HA3 . 10195 1 977 . 1 1 86 86 GLY C C 13 171.914 0.300 . 1 . . . . 86 GLY C . 10195 1 978 . 1 1 87 87 PRO CA C 13 63.192 0.300 . 1 . . . . 87 PRO CA . 10195 1 979 . 1 1 87 87 PRO HA H 1 4.484 0.030 . 1 . . . . 87 PRO HA . 10195 1 980 . 1 1 87 87 PRO CB C 13 32.243 0.300 . 1 . . . . 87 PRO CB . 10195 1 981 . 1 1 87 87 PRO HB2 H 1 1.971 0.030 . 2 . . . . 87 PRO HB2 . 10195 1 982 . 1 1 87 87 PRO HB3 H 1 2.286 0.030 . 2 . . . . 87 PRO HB3 . 10195 1 983 . 1 1 87 87 PRO CG C 13 27.390 0.300 . 1 . . . . 87 PRO CG . 10195 1 984 . 1 1 87 87 PRO HG2 H 1 2.018 0.030 . 1 . . . . 87 PRO HG2 . 10195 1 985 . 1 1 87 87 PRO HG3 H 1 2.018 0.030 . 1 . . . . 87 PRO HG3 . 10195 1 986 . 1 1 87 87 PRO CD C 13 49.828 0.300 . 1 . . . . 87 PRO CD . 10195 1 987 . 1 1 87 87 PRO HD2 H 1 3.624 0.030 . 1 . . . . 87 PRO HD2 . 10195 1 988 . 1 1 87 87 PRO HD3 H 1 3.624 0.030 . 1 . . . . 87 PRO HD3 . 10195 1 989 . 1 1 87 87 PRO C C 13 177.470 0.300 . 1 . . . . 87 PRO C . 10195 1 990 . 1 1 88 88 SER N N 15 116.433 0.300 . 1 . . . . 88 SER N . 10195 1 991 . 1 1 88 88 SER H H 1 8.518 0.030 . 1 . . . . 88 SER H . 10195 1 992 . 1 1 88 88 SER CA C 13 58.330 0.300 . 1 . . . . 88 SER CA . 10195 1 993 . 1 1 88 88 SER HA H 1 4.571 0.030 . 1 . . . . 88 SER HA . 10195 1 994 . 1 1 88 88 SER CB C 13 63.896 0.300 . 1 . . . . 88 SER CB . 10195 1 995 . 1 1 88 88 SER HB2 H 1 3.924 0.030 . 1 . . . . 88 SER HB2 . 10195 1 996 . 1 1 88 88 SER HB3 H 1 3.924 0.030 . 1 . . . . 88 SER HB3 . 10195 1 997 . 1 1 88 88 SER C C 13 174.747 0.300 . 1 . . . . 88 SER C . 10195 1 998 . 1 1 89 89 SER N N 15 117.882 0.300 . 1 . . . . 89 SER N . 10195 1 999 . 1 1 89 89 SER H H 1 8.335 0.030 . 1 . . . . 89 SER H . 10195 1 1000 . 1 1 89 89 SER CA C 13 58.497 0.300 . 1 . . . . 89 SER CA . 10195 1 1001 . 1 1 89 89 SER CB C 13 64.209 0.300 . 1 . . . . 89 SER CB . 10195 1 1002 . 1 1 89 89 SER HB2 H 1 4.480 0.030 . 1 . . . . 89 SER HB2 . 10195 1 1003 . 1 1 89 89 SER HB3 H 1 4.480 0.030 . 1 . . . . 89 SER HB3 . 10195 1 1004 . 1 1 89 89 SER C C 13 174.100 0.300 . 1 . . . . 89 SER C . 10195 1 1005 . 1 1 90 90 GLY N N 15 116.869 0.300 . 1 . . . . 90 GLY N . 10195 1 1006 . 1 1 90 90 GLY H H 1 8.053 0.030 . 1 . . . . 90 GLY H . 10195 1 1007 . 1 1 90 90 GLY CA C 13 46.152 0.300 . 1 . . . . 90 GLY CA . 10195 1 1008 . 1 1 90 90 GLY HA2 H 1 3.756 0.030 . 2 . . . . 90 GLY HA2 . 10195 1 1009 . 1 1 90 90 GLY HA3 H 1 3.805 0.030 . 2 . . . . 90 GLY HA3 . 10195 1 stop_ save_