data_19821 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19821 _Entry.Title ; Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-27 _Entry.Accession_date 2014-02-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Luigi Russo . . . 19821 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 'not applicable' 'not applicable' . 19821 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'winged helix domain' . 19821 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19821 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 77 19821 '15N chemical shifts' 77 19821 '1H chemical shifts' 412 19821 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 2 . . 2014-06-05 2014-02-27 update BMRB 'update entry citation' 19821 1 . . 2014-03-10 2014-02-27 original author 'original release' 19821 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MLG 'BMRB Entry Tracking System' 19821 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19821 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24682827 _Citation.Full_citation . _Citation.Title 'Structural and functional studies of Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx: a novel peculiar member of the winged helix-turn-helix transcription factor family.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 42 _Citation.Journal_issue 9 _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 5993 _Citation.Page_last 6011 _Citation.Year 2014 _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 Patrizia Contursi . . . 19821 1 2 Biancamaria Farina . . . 19821 1 3 Luciano Pirone . . . 19821 1 4 Salvatore Fusco . . . 19821 1 5 Luigi Russo . . . 19821 1 6 Simonetta Bartolucci . . . 19821 1 7 Roberto Fattorusso . . . 19821 1 8 Emilia Pedone . . . 19821 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19821 _Assembly.ID 1 _Assembly.Name 'Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx' _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 entity 1 $entity A . yes native no no . . . 19821 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . 19821 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19821 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Stf76 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KAKLSLTQLILIRLSNRGCQ TLEELEEFTQAKREVLLVTL TRLHQRGVIYRKWRHFSGRK YREYCLKHRDELADLEH ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9355.989 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MLG . "Stf76 From The Sulfolobus Islandicus Plasmid-virus Pssvx" . . . . . 100.00 84 100.00 100.00 4.94e-46 . . . . 19821 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 . LYS . 19821 1 2 . ALA . 19821 1 3 . LYS . 19821 1 4 . LEU . 19821 1 5 . SER . 19821 1 6 . LEU . 19821 1 7 . THR . 19821 1 8 . GLN . 19821 1 9 . LEU . 19821 1 10 . ILE . 19821 1 11 . LEU . 19821 1 12 . ILE . 19821 1 13 . ARG . 19821 1 14 . LEU . 19821 1 15 . SER . 19821 1 16 . ASN . 19821 1 17 . ARG . 19821 1 18 . GLY . 19821 1 19 . CYS . 19821 1 20 . GLN . 19821 1 21 . THR . 19821 1 22 . LEU . 19821 1 23 . GLU . 19821 1 24 . GLU . 19821 1 25 . LEU . 19821 1 26 . GLU . 19821 1 27 . GLU . 19821 1 28 . PHE . 19821 1 29 . THR . 19821 1 30 . GLN . 19821 1 31 . ALA . 19821 1 32 . LYS . 19821 1 33 . ARG . 19821 1 34 . GLU . 19821 1 35 . VAL . 19821 1 36 . LEU . 19821 1 37 . LEU . 19821 1 38 . VAL . 19821 1 39 . THR . 19821 1 40 . LEU . 19821 1 41 . THR . 19821 1 42 . ARG . 19821 1 43 . LEU . 19821 1 44 . HIS . 19821 1 45 . GLN . 19821 1 46 . ARG . 19821 1 47 . GLY . 19821 1 48 . VAL . 19821 1 49 . ILE . 19821 1 50 . TYR . 19821 1 51 . ARG . 19821 1 52 . LYS . 19821 1 53 . TRP . 19821 1 54 . ARG . 19821 1 55 . HIS . 19821 1 56 . PHE . 19821 1 57 . SER . 19821 1 58 . GLY . 19821 1 59 . ARG . 19821 1 60 . LYS . 19821 1 61 . TYR . 19821 1 62 . ARG . 19821 1 63 . GLU . 19821 1 64 . TYR . 19821 1 65 . CYS . 19821 1 66 . LEU . 19821 1 67 . LYS . 19821 1 68 . HIS . 19821 1 69 . ARG . 19821 1 70 . ASP . 19821 1 71 . GLU . 19821 1 72 . LEU . 19821 1 73 . ALA . 19821 1 74 . ASP . 19821 1 75 . LEU . 19821 1 76 . GLU . 19821 1 77 . HIS . 19821 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 . LYS 1 1 19821 1 . ALA 2 2 19821 1 . LYS 3 3 19821 1 . LEU 4 4 19821 1 . SER 5 5 19821 1 . LEU 6 6 19821 1 . THR 7 7 19821 1 . GLN 8 8 19821 1 . LEU 9 9 19821 1 . ILE 10 10 19821 1 . LEU 11 11 19821 1 . ILE 12 12 19821 1 . ARG 13 13 19821 1 . LEU 14 14 19821 1 . SER 15 15 19821 1 . ASN 16 16 19821 1 . ARG 17 17 19821 1 . GLY 18 18 19821 1 . CYS 19 19 19821 1 . GLN 20 20 19821 1 . THR 21 21 19821 1 . LEU 22 22 19821 1 . GLU 23 23 19821 1 . GLU 24 24 19821 1 . LEU 25 25 19821 1 . GLU 26 26 19821 1 . GLU 27 27 19821 1 . PHE 28 28 19821 1 . THR 29 29 19821 1 . GLN 30 30 19821 1 . ALA 31 31 19821 1 . LYS 32 32 19821 1 . ARG 33 33 19821 1 . GLU 34 34 19821 1 . VAL 35 35 19821 1 . LEU 36 36 19821 1 . LEU 37 37 19821 1 . VAL 38 38 19821 1 . THR 39 39 19821 1 . LEU 40 40 19821 1 . THR 41 41 19821 1 . ARG 42 42 19821 1 . LEU 43 43 19821 1 . HIS 44 44 19821 1 . GLN 45 45 19821 1 . ARG 46 46 19821 1 . GLY 47 47 19821 1 . VAL 48 48 19821 1 . ILE 49 49 19821 1 . TYR 50 50 19821 1 . ARG 51 51 19821 1 . LYS 52 52 19821 1 . TRP 53 53 19821 1 . ARG 54 54 19821 1 . HIS 55 55 19821 1 . PHE 56 56 19821 1 . SER 57 57 19821 1 . GLY 58 58 19821 1 . ARG 59 59 19821 1 . LYS 60 60 19821 1 . TYR 61 61 19821 1 . ARG 62 62 19821 1 . GLU 63 63 19821 1 . TYR 64 64 19821 1 . CYS 65 65 19821 1 . LEU 66 66 19821 1 . LYS 67 67 19821 1 . HIS 68 68 19821 1 . ARG 69 69 19821 1 . ASP 70 70 19821 1 . GLU 71 71 19821 1 . LEU 72 72 19821 1 . ALA 73 73 19821 1 . ASP 74 74 19821 1 . LEU 75 75 19821 1 . GLU 76 76 19821 1 . HIS 77 77 19821 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 19821 _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 . 45202 'Plasmid virus' . pSSVx . . . Plasmid . . . . . . . . . . . . . . . . . . . . . . . . 19821 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 19821 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-30a(+) . . . . . . 19821 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19821 _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 Stf76 '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 100-200 . . uM . . . . 19821 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19821 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19821 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19821 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19821 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19821 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19821 _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' 0.05 . M 19821 1 pH 5.5 . pH 19821 1 pressure 1 . atm 19821 1 temperature 298 . K 19821 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19821 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19821 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19821 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19821 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19821 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19821 2 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 19821 _Software.ID 3 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 19821 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19821 3 'structure solution' 19821 3 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 19821 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19821 _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 Varian INOVA . 600 . . . 19821 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 19821 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19821 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19821 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19821 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19821 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19821 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19821 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 0.00 na indirect 0.251449530 . . . . . . . . . 19821 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19821 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19821 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19821 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 HNCA' . . . 19821 1 2 '3D HN(CO)CA' . . . 19821 1 3 '3D 1H-15N TOCSY' . . . 19821 1 4 '3D 1H-15N NOESY' . . . 19821 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LYS HA H 1 4.022 0.020 . 1 . . . A 1 LYS HA . 19821 1 2 . 1 1 1 1 LYS HB2 H 1 1.584 0.020 . 1 . . . A 1 LYS HB2 . 19821 1 3 . 1 1 1 1 LYS HB3 H 1 1.584 0.020 . 1 . . . A 1 LYS HB3 . 19821 1 4 . 1 1 1 1 LYS HG2 H 1 1.273 0.020 . 1 . . . A 1 LYS HG2 . 19821 1 5 . 1 1 1 1 LYS HG3 H 1 1.273 0.020 . 1 . . . A 1 LYS HG3 . 19821 1 6 . 1 1 1 1 LYS H H 1 8.368 0.020 . 1 . . . A 1 LYS H1 . 19821 1 7 . 1 1 1 1 LYS CA C 13 57.000 0.300 . 1 . . . A 1 LYS CA . 19821 1 8 . 1 1 1 1 LYS N N 15 125.699 0.300 . 1 . . . A 1 LYS N . 19821 1 9 . 1 1 2 2 ALA H H 1 8.197 0.020 . 1 . . . A 2 ALA H . 19821 1 10 . 1 1 2 2 ALA HA H 1 4.092 0.020 . 1 . . . A 2 ALA HA . 19821 1 11 . 1 1 2 2 ALA HB1 H 1 1.223 0.020 . 1 . . . A 2 ALA HB . 19821 1 12 . 1 1 2 2 ALA HB2 H 1 1.223 0.020 . 1 . . . A 2 ALA HB . 19821 1 13 . 1 1 2 2 ALA HB3 H 1 1.223 0.020 . 1 . . . A 2 ALA HB . 19821 1 14 . 1 1 2 2 ALA CA C 13 52.998 0.300 . 1 . . . A 2 ALA CA . 19821 1 15 . 1 1 2 2 ALA N N 15 126.348 0.300 . 1 . . . A 2 ALA N . 19821 1 16 . 1 1 3 3 LYS H H 1 8.099 0.020 . 1 . . . A 3 LYS H . 19821 1 17 . 1 1 3 3 LYS HA H 1 4.140 0.020 . 1 . . . A 3 LYS HA . 19821 1 18 . 1 1 3 3 LYS HB2 H 1 1.576 0.020 . 1 . . . A 3 LYS HB2 . 19821 1 19 . 1 1 3 3 LYS HB3 H 1 1.576 0.020 . 1 . . . A 3 LYS HB3 . 19821 1 20 . 1 1 3 3 LYS CA C 13 56.164 0.300 . 1 . . . A 3 LYS CA . 19821 1 21 . 1 1 3 3 LYS N N 15 122.498 0.300 . 1 . . . A 3 LYS N . 19821 1 22 . 1 1 4 4 LEU H H 1 7.844 0.020 . 1 . . . A 4 LEU H . 19821 1 23 . 1 1 4 4 LEU HA H 1 4.352 0.020 . 1 . . . A 4 LEU HA . 19821 1 24 . 1 1 4 4 LEU HB2 H 1 1.481 0.020 . 2 . . . A 4 LEU HB2 . 19821 1 25 . 1 1 4 4 LEU HB3 H 1 1.261 0.020 . 2 . . . A 4 LEU HB3 . 19821 1 26 . 1 1 4 4 LEU HD11 H 1 0.643 0.020 . 1 . . . A 4 LEU HD1 . 19821 1 27 . 1 1 4 4 LEU HD12 H 1 0.643 0.020 . 1 . . . A 4 LEU HD1 . 19821 1 28 . 1 1 4 4 LEU HD13 H 1 0.643 0.020 . 1 . . . A 4 LEU HD1 . 19821 1 29 . 1 1 4 4 LEU HD21 H 1 0.643 0.020 . 1 . . . A 4 LEU HD2 . 19821 1 30 . 1 1 4 4 LEU HD22 H 1 0.643 0.020 . 1 . . . A 4 LEU HD2 . 19821 1 31 . 1 1 4 4 LEU HD23 H 1 0.643 0.020 . 1 . . . A 4 LEU HD2 . 19821 1 32 . 1 1 4 4 LEU CA C 13 54.670 0.300 . 1 . . . A 4 LEU CA . 19821 1 33 . 1 1 4 4 LEU N N 15 125.414 0.300 . 1 . . . A 4 LEU N . 19821 1 34 . 1 1 5 5 SER H H 1 8.615 0.020 . 1 . . . A 5 SER H . 19821 1 35 . 1 1 5 5 SER HA H 1 4.279 0.020 . 1 . . . A 5 SER HA . 19821 1 36 . 1 1 5 5 SER HB2 H 1 3.868 0.020 . 1 . . . A 5 SER HB2 . 19821 1 37 . 1 1 5 5 SER HB3 H 1 3.868 0.020 . 1 . . . A 5 SER HB3 . 19821 1 38 . 1 1 5 5 SER CA C 13 57.119 0.300 . 1 . . . A 5 SER CA . 19821 1 39 . 1 1 5 5 SER N N 15 120.078 0.300 . 1 . . . A 5 SER N . 19821 1 40 . 1 1 6 6 LEU H H 1 8.719 0.020 . 1 . . . A 6 LEU H . 19821 1 41 . 1 1 6 6 LEU HA H 1 3.923 0.020 . 1 . . . A 6 LEU HA . 19821 1 42 . 1 1 6 6 LEU HB2 H 1 1.631 0.020 . 2 . . . A 6 LEU HB2 . 19821 1 43 . 1 1 6 6 LEU HB3 H 1 1.485 0.020 . 2 . . . A 6 LEU HB3 . 19821 1 44 . 1 1 6 6 LEU HD11 H 1 0.717 0.020 . 1 . . . A 6 LEU HD1 . 19821 1 45 . 1 1 6 6 LEU HD12 H 1 0.717 0.020 . 1 . . . A 6 LEU HD1 . 19821 1 46 . 1 1 6 6 LEU HD13 H 1 0.717 0.020 . 1 . . . A 6 LEU HD1 . 19821 1 47 . 1 1 6 6 LEU HD21 H 1 0.717 0.020 . 1 . . . A 6 LEU HD2 . 19821 1 48 . 1 1 6 6 LEU HD22 H 1 0.717 0.020 . 1 . . . A 6 LEU HD2 . 19821 1 49 . 1 1 6 6 LEU HD23 H 1 0.717 0.020 . 1 . . . A 6 LEU HD2 . 19821 1 50 . 1 1 6 6 LEU CA C 13 58.493 0.300 . 1 . . . A 6 LEU CA . 19821 1 51 . 1 1 6 6 LEU N N 15 124.468 0.300 . 1 . . . A 6 LEU N . 19821 1 52 . 1 1 7 7 THR H H 1 7.986 0.020 . 1 . . . A 7 THR H . 19821 1 53 . 1 1 7 7 THR HA H 1 3.344 0.020 . 1 . . . A 7 THR HA . 19821 1 54 . 1 1 7 7 THR HB H 1 4.235 0.020 . 1 . . . A 7 THR HB . 19821 1 55 . 1 1 7 7 THR HG21 H 1 0.940 0.020 . 1 . . . A 7 THR HG2 . 19821 1 56 . 1 1 7 7 THR HG22 H 1 0.940 0.020 . 1 . . . A 7 THR HG2 . 19821 1 57 . 1 1 7 7 THR HG23 H 1 0.940 0.020 . 1 . . . A 7 THR HG2 . 19821 1 58 . 1 1 7 7 THR CA C 13 68.469 0.300 . 1 . . . A 7 THR CA . 19821 1 59 . 1 1 7 7 THR N N 15 115.018 0.300 . 1 . . . A 7 THR N . 19821 1 60 . 1 1 8 8 GLN H H 1 7.398 0.020 . 1 . . . A 8 GLN H . 19821 1 61 . 1 1 8 8 GLN HA H 1 3.729 0.020 . 1 . . . A 8 GLN HA . 19821 1 62 . 1 1 8 8 GLN HB2 H 1 2.189 0.020 . 1 . . . A 8 GLN HB2 . 19821 1 63 . 1 1 8 8 GLN HB3 H 1 2.189 0.020 . 1 . . . A 8 GLN HB3 . 19821 1 64 . 1 1 8 8 GLN CA C 13 59.628 0.300 . 1 . . . A 8 GLN CA . 19821 1 65 . 1 1 8 8 GLN N N 15 120.628 0.300 . 1 . . . A 8 GLN N . 19821 1 66 . 1 1 9 9 LEU H H 1 8.324 0.020 . 1 . . . A 9 LEU H . 19821 1 67 . 1 1 9 9 LEU HA H 1 3.959 0.020 . 1 . . . A 9 LEU HA . 19821 1 68 . 1 1 9 9 LEU HB2 H 1 1.498 0.020 . 2 . . . A 9 LEU HB2 . 19821 1 69 . 1 1 9 9 LEU HB3 H 1 1.337 0.020 . 2 . . . A 9 LEU HB3 . 19821 1 70 . 1 1 9 9 LEU HD11 H 1 0.668 0.020 . 1 . . . A 9 LEU HD1 . 19821 1 71 . 1 1 9 9 LEU HD12 H 1 0.668 0.020 . 1 . . . A 9 LEU HD1 . 19821 1 72 . 1 1 9 9 LEU HD13 H 1 0.668 0.020 . 1 . . . A 9 LEU HD1 . 19821 1 73 . 1 1 9 9 LEU HD21 H 1 0.668 0.020 . 1 . . . A 9 LEU HD2 . 19821 1 74 . 1 1 9 9 LEU HD22 H 1 0.668 0.020 . 1 . . . A 9 LEU HD2 . 19821 1 75 . 1 1 9 9 LEU HD23 H 1 0.668 0.020 . 1 . . . A 9 LEU HD2 . 19821 1 76 . 1 1 9 9 LEU CA C 13 58.553 0.300 . 1 . . . A 9 LEU CA . 19821 1 77 . 1 1 9 9 LEU N N 15 121.103 0.300 . 1 . . . A 9 LEU N . 19821 1 78 . 1 1 10 10 ILE H H 1 8.149 0.020 . 1 . . . A 10 ILE H . 19821 1 79 . 1 1 10 10 ILE HA H 1 3.226 0.020 . 1 . . . A 10 ILE HA . 19821 1 80 . 1 1 10 10 ILE HB H 1 1.721 0.020 . 1 . . . A 10 ILE HB . 19821 1 81 . 1 1 10 10 ILE HG12 H 1 1.423 0.020 . 2 . . . A 10 ILE HG12 . 19821 1 82 . 1 1 10 10 ILE HG13 H 1 1.176 0.020 . 2 . . . A 10 ILE HG13 . 19821 1 83 . 1 1 10 10 ILE HG21 H 1 0.556 0.020 . 1 . . . A 10 ILE HG2 . 19821 1 84 . 1 1 10 10 ILE HG22 H 1 0.556 0.020 . 1 . . . A 10 ILE HG2 . 19821 1 85 . 1 1 10 10 ILE HG23 H 1 0.556 0.020 . 1 . . . A 10 ILE HG2 . 19821 1 86 . 1 1 10 10 ILE HD11 H 1 0.494 0.020 . 1 . . . A 10 ILE HD1 . 19821 1 87 . 1 1 10 10 ILE HD12 H 1 0.494 0.020 . 1 . . . A 10 ILE HD1 . 19821 1 88 . 1 1 10 10 ILE HD13 H 1 0.494 0.020 . 1 . . . A 10 ILE HD1 . 19821 1 89 . 1 1 10 10 ILE CA C 13 66.319 0.300 . 1 . . . A 10 ILE CA . 19821 1 90 . 1 1 10 10 ILE N N 15 119.788 0.300 . 1 . . . A 10 ILE N . 19821 1 91 . 1 1 11 11 LEU H H 1 7.847 0.020 . 1 . . . A 11 LEU H . 19821 1 92 . 1 1 11 11 LEU HA H 1 3.692 0.020 . 1 . . . A 11 LEU HA . 19821 1 93 . 1 1 11 11 LEU HB2 H 1 1.262 0.020 . 1 . . . A 11 LEU HB2 . 19821 1 94 . 1 1 11 11 LEU HB3 H 1 1.262 0.020 . 1 . . . A 11 LEU HB3 . 19821 1 95 . 1 1 11 11 LEU CA C 13 58.911 0.300 . 1 . . . A 11 LEU CA . 19821 1 96 . 1 1 11 11 LEU N N 15 119.842 0.300 . 1 . . . A 11 LEU N . 19821 1 97 . 1 1 12 12 ILE H H 1 8.323 0.020 . 1 . . . A 12 ILE H . 19821 1 98 . 1 1 12 12 ILE HA H 1 3.519 0.020 . 1 . . . A 12 ILE HA . 19821 1 99 . 1 1 12 12 ILE HG21 H 1 1.002 0.020 . 1 . . . A 12 ILE HG2 . 19821 1 100 . 1 1 12 12 ILE HG22 H 1 1.002 0.020 . 1 . . . A 12 ILE HG2 . 19821 1 101 . 1 1 12 12 ILE HG23 H 1 1.002 0.020 . 1 . . . A 12 ILE HG2 . 19821 1 102 . 1 1 12 12 ILE HD11 H 1 0.693 0.020 . 1 . . . A 12 ILE HD1 . 19821 1 103 . 1 1 12 12 ILE HD12 H 1 0.693 0.020 . 1 . . . A 12 ILE HD1 . 19821 1 104 . 1 1 12 12 ILE HD13 H 1 0.693 0.020 . 1 . . . A 12 ILE HD1 . 19821 1 105 . 1 1 12 12 ILE CA C 13 65.243 0.300 . 1 . . . A 12 ILE CA . 19821 1 106 . 1 1 12 12 ILE N N 15 123.069 0.300 . 1 . . . A 12 ILE N . 19821 1 107 . 1 1 13 13 ARG H H 1 7.796 0.020 . 1 . . . A 13 ARG H . 19821 1 108 . 1 1 13 13 ARG HA H 1 3.619 0.020 . 1 . . . A 13 ARG HA . 19821 1 109 . 1 1 13 13 ARG HB2 H 1 1.795 0.020 . 1 . . . A 13 ARG HB2 . 19821 1 110 . 1 1 13 13 ARG HB3 H 1 1.795 0.020 . 1 . . . A 13 ARG HB3 . 19821 1 111 . 1 1 13 13 ARG HG2 H 1 1.473 0.020 . 1 . . . A 13 ARG HG2 . 19821 1 112 . 1 1 13 13 ARG HG3 H 1 1.473 0.020 . 1 . . . A 13 ARG HG3 . 19821 1 113 . 1 1 13 13 ARG CA C 13 57.717 0.300 . 1 . . . A 13 ARG CA . 19821 1 114 . 1 1 13 13 ARG N N 15 124.216 0.300 . 1 . . . A 13 ARG N . 19821 1 115 . 1 1 14 14 LEU H H 1 8.450 0.020 . 1 . . . A 14 LEU H . 19821 1 116 . 1 1 14 14 LEU HA H 1 4.371 0.020 . 1 . . . A 14 LEU HA . 19821 1 117 . 1 1 14 14 LEU HB2 H 1 1.546 0.020 . 1 . . . A 14 LEU HB2 . 19821 1 118 . 1 1 14 14 LEU HB3 H 1 1.546 0.020 . 1 . . . A 14 LEU HB3 . 19821 1 119 . 1 1 14 14 LEU HD11 H 1 0.655 0.020 . 2 . . . A 14 LEU HD1 . 19821 1 120 . 1 1 14 14 LEU HD12 H 1 0.655 0.020 . 2 . . . A 14 LEU HD1 . 19821 1 121 . 1 1 14 14 LEU HD13 H 1 0.655 0.020 . 2 . . . A 14 LEU HD1 . 19821 1 122 . 1 1 14 14 LEU HD21 H 1 0.408 0.020 . 2 . . . A 14 LEU HD2 . 19821 1 123 . 1 1 14 14 LEU HD22 H 1 0.408 0.020 . 2 . . . A 14 LEU HD2 . 19821 1 124 . 1 1 14 14 LEU HD23 H 1 0.408 0.020 . 2 . . . A 14 LEU HD2 . 19821 1 125 . 1 1 14 14 LEU CA C 13 56.641 0.300 . 1 . . . A 14 LEU CA . 19821 1 126 . 1 1 14 14 LEU N N 15 118.657 0.300 . 1 . . . A 14 LEU N . 19821 1 127 . 1 1 15 15 SER H H 1 7.864 0.020 . 1 . . . A 15 SER H . 19821 1 128 . 1 1 15 15 SER HA H 1 3.949 0.020 . 1 . . . A 15 SER HA . 19821 1 129 . 1 1 15 15 SER HB2 H 1 3.789 0.020 . 1 . . . A 15 SER HB2 . 19821 1 130 . 1 1 15 15 SER HB3 H 1 3.789 0.020 . 1 . . . A 15 SER HB3 . 19821 1 131 . 1 1 15 15 SER CA C 13 61.540 0.300 . 1 . . . A 15 SER CA . 19821 1 132 . 1 1 15 15 SER N N 15 116.873 0.300 . 1 . . . A 15 SER N . 19821 1 133 . 1 1 16 16 ASN H H 1 7.804 0.020 . 1 . . . A 16 ASN H . 19821 1 134 . 1 1 16 16 ASN HA H 1 4.491 0.020 . 1 . . . A 16 ASN HA . 19821 1 135 . 1 1 16 16 ASN HB2 H 1 2.639 0.020 . 2 . . . A 16 ASN HB2 . 19821 1 136 . 1 1 16 16 ASN HB3 H 1 2.566 0.020 . 2 . . . A 16 ASN HB3 . 19821 1 137 . 1 1 16 16 ASN CA C 13 55.626 0.300 . 1 . . . A 16 ASN CA . 19821 1 138 . 1 1 16 16 ASN N N 15 118.994 0.300 . 1 . . . A 16 ASN N . 19821 1 139 . 1 1 17 17 ARG H H 1 8.343 0.020 . 1 . . . A 17 ARG H . 19821 1 140 . 1 1 17 17 ARG HA H 1 4.297 0.020 . 1 . . . A 17 ARG HA . 19821 1 141 . 1 1 17 17 ARG HB2 H 1 1.312 0.020 . 1 . . . A 17 ARG HB2 . 19821 1 142 . 1 1 17 17 ARG HB3 H 1 1.312 0.020 . 1 . . . A 17 ARG HB3 . 19821 1 143 . 1 1 17 17 ARG CA C 13 54.610 0.300 . 1 . . . A 17 ARG CA . 19821 1 144 . 1 1 17 17 ARG N N 15 117.557 0.300 . 1 . . . A 17 ARG N . 19821 1 145 . 1 1 18 18 GLY H H 1 7.303 0.020 . 1 . . . A 18 GLY H . 19821 1 146 . 1 1 18 18 GLY HA2 H 1 4.151 0.020 . 2 . . . A 18 GLY HA2 . 19821 1 147 . 1 1 18 18 GLY HA3 H 1 3.527 0.020 . 2 . . . A 18 GLY HA3 . 19821 1 148 . 1 1 18 18 GLY CA C 13 44.455 0.300 . 1 . . . A 18 GLY CA . 19821 1 149 . 1 1 18 18 GLY N N 15 110.623 0.300 . 1 . . . A 18 GLY N . 19821 1 150 . 1 1 19 19 CYS H H 1 7.950 0.020 . 1 . . . A 19 CYS H . 19821 1 151 . 1 1 19 19 CYS HA H 1 4.902 0.020 . 1 . . . A 19 CYS HA . 19821 1 152 . 1 1 19 19 CYS HB2 H 1 2.910 0.020 . 1 . . . A 19 CYS HB2 . 19821 1 153 . 1 1 19 19 CYS HB3 H 1 2.910 0.020 . 1 . . . A 19 CYS HB3 . 19821 1 154 . 1 1 19 19 CYS CA C 13 58.254 0.300 . 1 . . . A 19 CYS CA . 19821 1 155 . 1 1 19 19 CYS N N 15 117.667 0.300 . 1 . . . A 19 CYS N . 19821 1 156 . 1 1 20 20 GLN H H 1 8.615 0.020 . 1 . . . A 20 GLN H . 19821 1 157 . 1 1 20 20 GLN HA H 1 5.104 0.020 . 1 . . . A 20 GLN HA . 19821 1 158 . 1 1 20 20 GLN CA C 13 53.714 0.300 . 1 . . . A 20 GLN CA . 19821 1 159 . 1 1 20 20 GLN N N 15 121.882 0.300 . 1 . . . A 20 GLN N . 19821 1 160 . 1 1 21 21 THR H H 1 9.557 0.020 . 1 . . . A 21 THR H . 19821 1 161 . 1 1 21 21 THR HA H 1 4.847 0.020 . 1 . . . A 21 THR HA . 19821 1 162 . 1 1 21 21 THR HG21 H 1 0.965 0.020 . 1 . . . A 21 THR HG2 . 19821 1 163 . 1 1 21 21 THR HG22 H 1 0.965 0.020 . 1 . . . A 21 THR HG2 . 19821 1 164 . 1 1 21 21 THR HG23 H 1 0.965 0.020 . 1 . . . A 21 THR HG2 . 19821 1 165 . 1 1 21 21 THR CA C 13 60.763 0.300 . 1 . . . A 21 THR CA . 19821 1 166 . 1 1 21 21 THR N N 15 116.183 0.300 . 1 . . . A 21 THR N . 19821 1 167 . 1 1 22 22 LEU H H 1 9.257 0.020 . 1 . . . A 22 LEU H . 19821 1 168 . 1 1 22 22 LEU HA H 1 3.777 0.020 . 1 . . . A 22 LEU HA . 19821 1 169 . 1 1 22 22 LEU HB2 H 1 1.671 0.020 . 1 . . . A 22 LEU HB2 . 19821 1 170 . 1 1 22 22 LEU HB3 H 1 1.671 0.020 . 1 . . . A 22 LEU HB3 . 19821 1 171 . 1 1 22 22 LEU HD11 H 1 0.953 0.020 . 2 . . . A 22 LEU HD1 . 19821 1 172 . 1 1 22 22 LEU HD12 H 1 0.953 0.020 . 2 . . . A 22 LEU HD1 . 19821 1 173 . 1 1 22 22 LEU HD13 H 1 0.953 0.020 . 2 . . . A 22 LEU HD1 . 19821 1 174 . 1 1 22 22 LEU HD21 H 1 0.680 0.020 . 2 . . . A 22 LEU HD2 . 19821 1 175 . 1 1 22 22 LEU HD22 H 1 0.680 0.020 . 2 . . . A 22 LEU HD2 . 19821 1 176 . 1 1 22 22 LEU HD23 H 1 0.680 0.020 . 2 . . . A 22 LEU HD2 . 19821 1 177 . 1 1 22 22 LEU CA C 13 59.270 0.300 . 1 . . . A 22 LEU CA . 19821 1 178 . 1 1 22 22 LEU N N 15 123.325 0.300 . 1 . . . A 22 LEU N . 19821 1 179 . 1 1 23 23 GLU H H 1 9.030 0.020 . 1 . . . A 23 GLU H . 19821 1 180 . 1 1 23 23 GLU HA H 1 3.923 0.020 . 1 . . . A 23 GLU HA . 19821 1 181 . 1 1 23 23 GLU HB2 H 1 1.770 0.020 . 1 . . . A 23 GLU HB2 . 19821 1 182 . 1 1 23 23 GLU HB3 H 1 1.770 0.020 . 1 . . . A 23 GLU HB3 . 19821 1 183 . 1 1 23 23 GLU CA C 13 61.241 0.300 . 1 . . . A 23 GLU CA . 19821 1 184 . 1 1 23 23 GLU N N 15 120.097 0.300 . 1 . . . A 23 GLU N . 19821 1 185 . 1 1 24 24 GLU H H 1 7.734 0.020 . 1 . . . A 24 GLU H . 19821 1 186 . 1 1 24 24 GLU HA H 1 3.912 0.020 . 1 . . . A 24 GLU HA . 19821 1 187 . 1 1 24 24 GLU HB2 H 1 2.092 0.020 . 1 . . . A 24 GLU HB2 . 19821 1 188 . 1 1 24 24 GLU HB3 H 1 2.092 0.020 . 1 . . . A 24 GLU HB3 . 19821 1 189 . 1 1 24 24 GLU CA C 13 59.270 0.300 . 1 . . . A 24 GLU CA . 19821 1 190 . 1 1 24 24 GLU N N 15 122.438 0.300 . 1 . . . A 24 GLU N . 19821 1 191 . 1 1 25 25 LEU H H 1 8.350 0.020 . 1 . . . A 25 LEU H . 19821 1 192 . 1 1 25 25 LEU HA H 1 4.132 0.020 . 1 . . . A 25 LEU HA . 19821 1 193 . 1 1 25 25 LEU HB2 H 1 1.979 0.020 . 1 . . . A 25 LEU HB2 . 19821 1 194 . 1 1 25 25 LEU HB3 H 1 1.979 0.020 . 1 . . . A 25 LEU HB3 . 19821 1 195 . 1 1 25 25 LEU HD11 H 1 0.603 0.020 . 1 . . . A 25 LEU HD1 . 19821 1 196 . 1 1 25 25 LEU HD12 H 1 0.603 0.020 . 1 . . . A 25 LEU HD1 . 19821 1 197 . 1 1 25 25 LEU HD13 H 1 0.603 0.020 . 1 . . . A 25 LEU HD1 . 19821 1 198 . 1 1 25 25 LEU HD21 H 1 0.603 0.020 . 1 . . . A 25 LEU HD2 . 19821 1 199 . 1 1 25 25 LEU HD22 H 1 0.603 0.020 . 1 . . . A 25 LEU HD2 . 19821 1 200 . 1 1 25 25 LEU HD23 H 1 0.603 0.020 . 1 . . . A 25 LEU HD2 . 19821 1 201 . 1 1 25 25 LEU CA C 13 58.314 0.300 . 1 . . . A 25 LEU CA . 19821 1 202 . 1 1 25 25 LEU N N 15 123.263 0.300 . 1 . . . A 25 LEU N . 19821 1 203 . 1 1 26 26 GLU H H 1 9.362 0.020 . 1 . . . A 26 GLU H . 19821 1 204 . 1 1 26 26 GLU HA H 1 3.601 0.020 . 1 . . . A 26 GLU HA . 19821 1 205 . 1 1 26 26 GLU HB2 H 1 1.993 0.020 . 1 . . . A 26 GLU HB2 . 19821 1 206 . 1 1 26 26 GLU HB3 H 1 1.993 0.020 . 1 . . . A 26 GLU HB3 . 19821 1 207 . 1 1 26 26 GLU CA C 13 60.942 0.300 . 1 . . . A 26 GLU CA . 19821 1 208 . 1 1 26 26 GLU N N 15 129.504 0.300 . 1 . . . A 26 GLU N . 19821 1 209 . 1 1 27 27 GLU H H 1 7.741 0.020 . 1 . . . A 27 GLU H . 19821 1 210 . 1 1 27 27 GLU HA H 1 3.857 0.020 . 1 . . . A 27 GLU HA . 19821 1 211 . 1 1 27 27 GLU HB2 H 1 2.079 0.020 . 2 . . . A 27 GLU HB2 . 19821 1 212 . 1 1 27 27 GLU HB3 H 1 1.942 0.020 . 2 . . . A 27 GLU HB3 . 19821 1 213 . 1 1 27 27 GLU CA C 13 59.389 0.300 . 1 . . . A 27 GLU CA . 19821 1 214 . 1 1 27 27 GLU N N 15 121.392 0.300 . 1 . . . A 27 GLU N . 19821 1 215 . 1 1 28 28 PHE H H 1 7.392 0.020 . 1 . . . A 28 PHE H . 19821 1 216 . 1 1 28 28 PHE HA H 1 4.297 0.020 . 1 . . . A 28 PHE HA . 19821 1 217 . 1 1 28 28 PHE HB2 H 1 3.235 0.020 . 2 . . . A 28 PHE HB2 . 19821 1 218 . 1 1 28 28 PHE HB3 H 1 2.556 0.020 . 2 . . . A 28 PHE HB3 . 19821 1 219 . 1 1 28 28 PHE CA C 13 60.823 0.300 . 1 . . . A 28 PHE CA . 19821 1 220 . 1 1 28 28 PHE N N 15 117.204 0.300 . 1 . . . A 28 PHE N . 19821 1 221 . 1 1 29 29 THR H H 1 8.220 0.020 . 1 . . . A 29 THR H . 19821 1 222 . 1 1 29 29 THR HA H 1 3.472 0.020 . 1 . . . A 29 THR HA . 19821 1 223 . 1 1 29 29 THR HB H 1 4.177 0.020 . 1 . . . A 29 THR HB . 19821 1 224 . 1 1 29 29 THR HG21 H 1 1.154 0.020 . 1 . . . A 29 THR HG2 . 19821 1 225 . 1 1 29 29 THR HG22 H 1 1.154 0.020 . 1 . . . A 29 THR HG2 . 19821 1 226 . 1 1 29 29 THR HG23 H 1 1.154 0.020 . 1 . . . A 29 THR HG2 . 19821 1 227 . 1 1 29 29 THR CA C 13 63.989 0.300 . 1 . . . A 29 THR CA . 19821 1 228 . 1 1 29 29 THR N N 15 107.601 0.300 . 1 . . . A 29 THR N . 19821 1 229 . 1 1 30 30 GLN H H 1 7.974 0.020 . 1 . . . A 30 GLN H . 19821 1 230 . 1 1 30 30 GLN HA H 1 3.729 0.020 . 1 . . . A 30 GLN HA . 19821 1 231 . 1 1 30 30 GLN HB2 H 1 2.097 0.020 . 2 . . . A 30 GLN HB2 . 19821 1 232 . 1 1 30 30 GLN HB3 H 1 1.981 0.020 . 2 . . . A 30 GLN HB3 . 19821 1 233 . 1 1 30 30 GLN CA C 13 57.478 0.300 . 1 . . . A 30 GLN CA . 19821 1 234 . 1 1 30 30 GLN N N 15 116.862 0.300 . 1 . . . A 30 GLN N . 19821 1 235 . 1 1 31 31 ALA H H 1 7.384 0.020 . 1 . . . A 31 ALA H . 19821 1 236 . 1 1 31 31 ALA HA H 1 4.213 0.020 . 1 . . . A 31 ALA HA . 19821 1 237 . 1 1 31 31 ALA HB1 H 1 1.060 0.020 . 1 . . . A 31 ALA HB . 19821 1 238 . 1 1 31 31 ALA HB2 H 1 1.060 0.020 . 1 . . . A 31 ALA HB . 19821 1 239 . 1 1 31 31 ALA HB3 H 1 1.060 0.020 . 1 . . . A 31 ALA HB . 19821 1 240 . 1 1 31 31 ALA CA C 13 51.265 0.300 . 1 . . . A 31 ALA CA . 19821 1 241 . 1 1 31 31 ALA N N 15 122.778 0.300 . 1 . . . A 31 ALA N . 19821 1 242 . 1 1 32 32 LYS H H 1 8.194 0.020 . 1 . . . A 32 LYS H . 19821 1 243 . 1 1 32 32 LYS HA H 1 4.059 0.020 . 1 . . . A 32 LYS HA . 19821 1 244 . 1 1 32 32 LYS HB2 H 1 1.547 0.020 . 1 . . . A 32 LYS HB2 . 19821 1 245 . 1 1 32 32 LYS HB3 H 1 1.547 0.020 . 1 . . . A 32 LYS HB3 . 19821 1 246 . 1 1 32 32 LYS HG2 H 1 1.448 0.020 . 1 . . . A 32 LYS HG2 . 19821 1 247 . 1 1 32 32 LYS HG3 H 1 1.448 0.020 . 1 . . . A 32 LYS HG3 . 19821 1 248 . 1 1 32 32 LYS CA C 13 56.283 0.300 . 1 . . . A 32 LYS CA . 19821 1 249 . 1 1 32 32 LYS N N 15 121.107 0.300 . 1 . . . A 32 LYS N . 19821 1 250 . 1 1 33 33 ARG H H 1 8.690 0.020 . 1 . . . A 33 ARG H . 19821 1 251 . 1 1 33 33 ARG HA H 1 4.269 0.020 . 1 . . . A 33 ARG HA . 19821 1 252 . 1 1 33 33 ARG HB2 H 1 1.857 0.020 . 1 . . . A 33 ARG HB2 . 19821 1 253 . 1 1 33 33 ARG HB3 H 1 1.857 0.020 . 1 . . . A 33 ARG HB3 . 19821 1 254 . 1 1 33 33 ARG HG2 H 1 1.572 0.020 . 1 . . . A 33 ARG HG2 . 19821 1 255 . 1 1 33 33 ARG HG3 H 1 1.572 0.020 . 1 . . . A 33 ARG HG3 . 19821 1 256 . 1 1 33 33 ARG HD2 H 1 3.504 0.020 . 1 . . . A 33 ARG HD2 . 19821 1 257 . 1 1 33 33 ARG HD3 H 1 3.504 0.020 . 1 . . . A 33 ARG HD3 . 19821 1 258 . 1 1 33 33 ARG CA C 13 61.002 0.300 . 1 . . . A 33 ARG CA . 19821 1 259 . 1 1 33 33 ARG N N 15 126.754 0.300 . 1 . . . A 33 ARG N . 19821 1 260 . 1 1 34 34 GLU H H 1 9.236 0.020 . 1 . . . A 34 GLU H . 19821 1 261 . 1 1 34 34 GLU HA H 1 3.857 0.020 . 1 . . . A 34 GLU HA . 19821 1 262 . 1 1 34 34 GLU CA C 13 60.619 0.300 . 1 . . . A 34 GLU CA . 19821 1 263 . 1 1 34 34 GLU N N 15 117.537 0.300 . 1 . . . A 34 GLU N . 19821 1 264 . 1 1 35 35 VAL H H 1 6.681 0.020 . 1 . . . A 35 VAL H . 19821 1 265 . 1 1 35 35 VAL HA H 1 3.674 0.020 . 1 . . . A 35 VAL HA . 19821 1 266 . 1 1 35 35 VAL HB H 1 1.987 0.020 . 1 . . . A 35 VAL HB . 19821 1 267 . 1 1 35 35 VAL HG11 H 1 0.832 0.020 . 1 . . . A 35 VAL HG1 . 19821 1 268 . 1 1 35 35 VAL HG12 H 1 0.832 0.020 . 1 . . . A 35 VAL HG1 . 19821 1 269 . 1 1 35 35 VAL HG13 H 1 0.832 0.020 . 1 . . . A 35 VAL HG1 . 19821 1 270 . 1 1 35 35 VAL HG21 H 1 0.832 0.020 . 1 . . . A 35 VAL HG2 . 19821 1 271 . 1 1 35 35 VAL HG22 H 1 0.832 0.020 . 1 . . . A 35 VAL HG2 . 19821 1 272 . 1 1 35 35 VAL HG23 H 1 0.832 0.020 . 1 . . . A 35 VAL HG2 . 19821 1 273 . 1 1 35 35 VAL CA C 13 65.064 0.300 . 1 . . . A 35 VAL CA . 19821 1 274 . 1 1 35 35 VAL N N 15 121.054 0.300 . 1 . . . A 35 VAL N . 19821 1 275 . 1 1 36 36 LEU H H 1 8.140 0.020 . 1 . . . A 36 LEU H . 19821 1 276 . 1 1 36 36 LEU HA H 1 3.619 0.020 . 1 . . . A 36 LEU HA . 19821 1 277 . 1 1 36 36 LEU HB2 H 1 1.250 0.020 . 1 . . . A 36 LEU HB2 . 19821 1 278 . 1 1 36 36 LEU HB3 H 1 1.250 0.020 . 1 . . . A 36 LEU HB3 . 19821 1 279 . 1 1 36 36 LEU CA C 13 58.792 0.300 . 1 . . . A 36 LEU CA . 19821 1 280 . 1 1 36 36 LEU N N 15 126.417 0.300 . 1 . . . A 36 LEU N . 19821 1 281 . 1 1 37 37 LEU H H 1 8.492 0.020 . 1 . . . A 37 LEU H . 19821 1 282 . 1 1 37 37 LEU HA H 1 3.766 0.020 . 1 . . . A 37 LEU HA . 19821 1 283 . 1 1 37 37 LEU HB2 H 1 1.461 0.020 . 1 . . . A 37 LEU HB2 . 19821 1 284 . 1 1 37 37 LEU HB3 H 1 1.461 0.020 . 1 . . . A 37 LEU HB3 . 19821 1 285 . 1 1 37 37 LEU HD11 H 1 0.693 0.020 . 1 . . . A 37 LEU HD1 . 19821 1 286 . 1 1 37 37 LEU HD12 H 1 0.693 0.020 . 1 . . . A 37 LEU HD1 . 19821 1 287 . 1 1 37 37 LEU HD13 H 1 0.693 0.020 . 1 . . . A 37 LEU HD1 . 19821 1 288 . 1 1 37 37 LEU HD21 H 1 0.693 0.020 . 1 . . . A 37 LEU HD2 . 19821 1 289 . 1 1 37 37 LEU HD22 H 1 0.693 0.020 . 1 . . . A 37 LEU HD2 . 19821 1 290 . 1 1 37 37 LEU HD23 H 1 0.693 0.020 . 1 . . . A 37 LEU HD2 . 19821 1 291 . 1 1 37 37 LEU CA C 13 58.911 0.300 . 1 . . . A 37 LEU CA . 19821 1 292 . 1 1 37 37 LEU N N 15 120.272 0.300 . 1 . . . A 37 LEU N . 19821 1 293 . 1 1 38 38 VAL H H 1 7.508 0.020 . 1 . . . A 38 VAL H . 19821 1 294 . 1 1 38 38 VAL HA H 1 3.601 0.020 . 1 . . . A 38 VAL HA . 19821 1 295 . 1 1 38 38 VAL HB H 1 2.005 0.020 . 1 . . . A 38 VAL HB . 19821 1 296 . 1 1 38 38 VAL HG11 H 1 0.928 0.020 . 2 . . . A 38 VAL HG1 . 19821 1 297 . 1 1 38 38 VAL HG12 H 1 0.928 0.020 . 2 . . . A 38 VAL HG1 . 19821 1 298 . 1 1 38 38 VAL HG13 H 1 0.928 0.020 . 2 . . . A 38 VAL HG1 . 19821 1 299 . 1 1 38 38 VAL HG21 H 1 0.693 0.020 . 2 . . . A 38 VAL HG2 . 19821 1 300 . 1 1 38 38 VAL HG22 H 1 0.693 0.020 . 2 . . . A 38 VAL HG2 . 19821 1 301 . 1 1 38 38 VAL HG23 H 1 0.693 0.020 . 2 . . . A 38 VAL HG2 . 19821 1 302 . 1 1 38 38 VAL CA C 13 66.916 0.300 . 1 . . . A 38 VAL CA . 19821 1 303 . 1 1 38 38 VAL N N 15 122.614 0.300 . 1 . . . A 38 VAL N . 19821 1 304 . 1 1 39 39 THR H H 1 7.626 0.020 . 1 . . . A 39 THR H . 19821 1 305 . 1 1 39 39 THR HA H 1 3.678 0.020 . 1 . . . A 39 THR HA . 19821 1 306 . 1 1 39 39 THR HB H 1 3.987 0.020 . 1 . . . A 39 THR HB . 19821 1 307 . 1 1 39 39 THR CA C 13 67.812 0.300 . 1 . . . A 39 THR CA . 19821 1 308 . 1 1 39 39 THR N N 15 120.141 0.300 . 1 . . . A 39 THR N . 19821 1 309 . 1 1 40 40 LEU H H 1 8.644 0.020 . 1 . . . A 40 LEU H . 19821 1 310 . 1 1 40 40 LEU HA H 1 3.629 0.020 . 1 . . . A 40 LEU HA . 19821 1 311 . 1 1 40 40 LEU HB2 H 1 1.485 0.020 . 2 . . . A 40 LEU HB2 . 19821 1 312 . 1 1 40 40 LEU HB3 H 1 1.312 0.020 . 2 . . . A 40 LEU HB3 . 19821 1 313 . 1 1 40 40 LEU HD11 H 1 0.730 0.020 . 1 . . . A 40 LEU HD1 . 19821 1 314 . 1 1 40 40 LEU HD12 H 1 0.730 0.020 . 1 . . . A 40 LEU HD1 . 19821 1 315 . 1 1 40 40 LEU HD13 H 1 0.730 0.020 . 1 . . . A 40 LEU HD1 . 19821 1 316 . 1 1 40 40 LEU HD21 H 1 0.730 0.020 . 1 . . . A 40 LEU HD2 . 19821 1 317 . 1 1 40 40 LEU HD22 H 1 0.730 0.020 . 1 . . . A 40 LEU HD2 . 19821 1 318 . 1 1 40 40 LEU HD23 H 1 0.730 0.020 . 1 . . . A 40 LEU HD2 . 19821 1 319 . 1 1 40 40 LEU CA C 13 58.433 0.300 . 1 . . . A 40 LEU CA . 19821 1 320 . 1 1 40 40 LEU N N 15 123.404 0.300 . 1 . . . A 40 LEU N . 19821 1 321 . 1 1 41 41 THR H H 1 8.169 0.020 . 1 . . . A 41 THR H . 19821 1 322 . 1 1 41 41 THR HA H 1 3.839 0.020 . 1 . . . A 41 THR HA . 19821 1 323 . 1 1 41 41 THR HB H 1 4.223 0.020 . 1 . . . A 41 THR HB . 19821 1 324 . 1 1 41 41 THR HG21 H 1 1.107 0.020 . 1 . . . A 41 THR HG2 . 19821 1 325 . 1 1 41 41 THR HG22 H 1 1.107 0.020 . 1 . . . A 41 THR HG2 . 19821 1 326 . 1 1 41 41 THR HG23 H 1 1.107 0.020 . 1 . . . A 41 THR HG2 . 19821 1 327 . 1 1 41 41 THR CA C 13 67.573 0.300 . 1 . . . A 41 THR CA . 19821 1 328 . 1 1 41 41 THR N N 15 119.278 0.300 . 1 . . . A 41 THR N . 19821 1 329 . 1 1 42 42 ARG H H 1 7.748 0.020 . 1 . . . A 42 ARG H . 19821 1 330 . 1 1 42 42 ARG HA H 1 4.004 0.020 . 1 . . . A 42 ARG HA . 19821 1 331 . 1 1 42 42 ARG HB2 H 1 1.832 0.020 . 1 . . . A 42 ARG HB2 . 19821 1 332 . 1 1 42 42 ARG HB3 H 1 1.832 0.020 . 1 . . . A 42 ARG HB3 . 19821 1 333 . 1 1 42 42 ARG HG2 H 1 1.547 0.020 . 1 . . . A 42 ARG HG2 . 19821 1 334 . 1 1 42 42 ARG HG3 H 1 1.547 0.020 . 1 . . . A 42 ARG HG3 . 19821 1 335 . 1 1 42 42 ARG CA C 13 59.867 0.300 . 1 . . . A 42 ARG CA . 19821 1 336 . 1 1 42 42 ARG N N 15 124.625 0.300 . 1 . . . A 42 ARG N . 19821 1 337 . 1 1 43 43 LEU H H 1 7.963 0.020 . 1 . . . A 43 LEU H . 19821 1 338 . 1 1 43 43 LEU HA H 1 3.894 0.020 . 1 . . . A 43 LEU HA . 19821 1 339 . 1 1 43 43 LEU HB2 H 1 1.807 0.020 . 1 . . . A 43 LEU HB2 . 19821 1 340 . 1 1 43 43 LEU HB3 H 1 1.807 0.020 . 1 . . . A 43 LEU HB3 . 19821 1 341 . 1 1 43 43 LEU HD11 H 1 0.668 0.020 . 1 . . . A 43 LEU HD1 . 19821 1 342 . 1 1 43 43 LEU HD12 H 1 0.668 0.020 . 1 . . . A 43 LEU HD1 . 19821 1 343 . 1 1 43 43 LEU HD13 H 1 0.668 0.020 . 1 . . . A 43 LEU HD1 . 19821 1 344 . 1 1 43 43 LEU HD21 H 1 0.668 0.020 . 1 . . . A 43 LEU HD2 . 19821 1 345 . 1 1 43 43 LEU HD22 H 1 0.668 0.020 . 1 . . . A 43 LEU HD2 . 19821 1 346 . 1 1 43 43 LEU HD23 H 1 0.668 0.020 . 1 . . . A 43 LEU HD2 . 19821 1 347 . 1 1 43 43 LEU CA C 13 58.135 0.300 . 1 . . . A 43 LEU CA . 19821 1 348 . 1 1 43 43 LEU N N 15 120.115 0.300 . 1 . . . A 43 LEU N . 19821 1 349 . 1 1 44 44 HIS H H 1 8.454 0.020 . 1 . . . A 44 HIS H . 19821 1 350 . 1 1 44 44 HIS HA H 1 4.407 0.020 . 1 . . . A 44 HIS HA . 19821 1 351 . 1 1 44 44 HIS HB2 H 1 3.319 0.020 . 2 . . . A 44 HIS HB2 . 19821 1 352 . 1 1 44 44 HIS HB3 H 1 2.926 0.020 . 2 . . . A 44 HIS HB3 . 19821 1 353 . 1 1 44 44 HIS CA C 13 59.688 0.300 . 1 . . . A 44 HIS CA . 19821 1 354 . 1 1 44 44 HIS N N 15 123.297 0.300 . 1 . . . A 44 HIS N . 19821 1 355 . 1 1 45 45 GLN H H 1 8.626 0.020 . 1 . . . A 45 GLN H . 19821 1 356 . 1 1 45 45 GLN HA H 1 3.821 0.020 . 1 . . . A 45 GLN HA . 19821 1 357 . 1 1 45 45 GLN HB2 H 1 2.179 0.020 . 2 . . . A 45 GLN HB2 . 19821 1 358 . 1 1 45 45 GLN HB3 H 1 2.043 0.020 . 2 . . . A 45 GLN HB3 . 19821 1 359 . 1 1 45 45 GLN HG2 H 1 2.473 0.020 . 1 . . . A 45 GLN HG2 . 19821 1 360 . 1 1 45 45 GLN HG3 H 1 2.473 0.020 . 1 . . . A 45 GLN HG3 . 19821 1 361 . 1 1 45 45 GLN CA C 13 59.270 0.300 . 1 . . . A 45 GLN CA . 19821 1 362 . 1 1 45 45 GLN N N 15 124.648 0.300 . 1 . . . A 45 GLN N . 19821 1 363 . 1 1 46 46 ARG H H 1 7.628 0.020 . 1 . . . A 46 ARG H . 19821 1 364 . 1 1 46 46 ARG HA H 1 4.169 0.020 . 1 . . . A 46 ARG HA . 19821 1 365 . 1 1 46 46 ARG HB2 H 1 1.694 0.020 . 1 . . . A 46 ARG HB2 . 19821 1 366 . 1 1 46 46 ARG HB3 H 1 1.694 0.020 . 1 . . . A 46 ARG HB3 . 19821 1 367 . 1 1 46 46 ARG CA C 13 56.641 0.300 . 1 . . . A 46 ARG CA . 19821 1 368 . 1 1 46 46 ARG N N 15 117.047 0.300 . 1 . . . A 46 ARG N . 19821 1 369 . 1 1 47 47 GLY H H 1 7.763 0.020 . 1 . . . A 47 GLY H . 19821 1 370 . 1 1 47 47 GLY HA2 H 1 3.986 0.020 . 2 . . . A 47 GLY HA2 . 19821 1 371 . 1 1 47 47 GLY HA3 H 1 3.784 0.020 . 2 . . . A 47 GLY HA3 . 19821 1 372 . 1 1 47 47 GLY CA C 13 46.128 0.300 . 1 . . . A 47 GLY CA . 19821 1 373 . 1 1 47 47 GLY N N 15 109.401 0.300 . 1 . . . A 47 GLY N . 19821 1 374 . 1 1 48 48 VAL H H 1 7.787 0.020 . 1 . . . A 48 VAL H . 19821 1 375 . 1 1 48 48 VAL HA H 1 3.801 0.020 . 1 . . . A 48 VAL HA . 19821 1 376 . 1 1 48 48 VAL HB H 1 1.852 0.020 . 1 . . . A 48 VAL HB . 19821 1 377 . 1 1 48 48 VAL HG11 H 1 0.815 0.020 . 1 . . . A 48 VAL HG1 . 19821 1 378 . 1 1 48 48 VAL HG12 H 1 0.815 0.020 . 1 . . . A 48 VAL HG1 . 19821 1 379 . 1 1 48 48 VAL HG13 H 1 0.815 0.020 . 1 . . . A 48 VAL HG1 . 19821 1 380 . 1 1 48 48 VAL HG21 H 1 0.815 0.020 . 1 . . . A 48 VAL HG2 . 19821 1 381 . 1 1 48 48 VAL HG22 H 1 0.815 0.020 . 1 . . . A 48 VAL HG2 . 19821 1 382 . 1 1 48 48 VAL HG23 H 1 0.815 0.020 . 1 . . . A 48 VAL HG2 . 19821 1 383 . 1 1 48 48 VAL CA C 13 64.168 0.300 . 1 . . . A 48 VAL CA . 19821 1 384 . 1 1 48 48 VAL N N 15 118.932 0.300 . 1 . . . A 48 VAL N . 19821 1 385 . 1 1 49 49 ILE H H 1 6.766 0.020 . 1 . . . A 49 ILE H . 19821 1 386 . 1 1 49 49 ILE HA H 1 5.214 0.020 . 1 . . . A 49 ILE HA . 19821 1 387 . 1 1 49 49 ILE HB H 1 1.824 0.020 . 1 . . . A 49 ILE HB . 19821 1 388 . 1 1 49 49 ILE HG21 H 1 0.705 0.020 . 1 . . . A 49 ILE HG2 . 19821 1 389 . 1 1 49 49 ILE HG22 H 1 0.705 0.020 . 1 . . . A 49 ILE HG2 . 19821 1 390 . 1 1 49 49 ILE HG23 H 1 0.705 0.020 . 1 . . . A 49 ILE HG2 . 19821 1 391 . 1 1 49 49 ILE HD11 H 1 0.544 0.020 . 1 . . . A 49 ILE HD1 . 19821 1 392 . 1 1 49 49 ILE HD12 H 1 0.544 0.020 . 1 . . . A 49 ILE HD1 . 19821 1 393 . 1 1 49 49 ILE HD13 H 1 0.544 0.020 . 1 . . . A 49 ILE HD1 . 19821 1 394 . 1 1 49 49 ILE CA C 13 58.075 0.300 . 1 . . . A 49 ILE CA . 19821 1 395 . 1 1 49 49 ILE N N 15 110.494 0.300 . 1 . . . A 49 ILE N . 19821 1 396 . 1 1 50 50 TYR H H 1 9.025 0.020 . 1 . . . A 50 TYR H . 19821 1 397 . 1 1 50 50 TYR HA H 1 4.884 0.020 . 1 . . . A 50 TYR HA . 19821 1 398 . 1 1 50 50 TYR HB2 H 1 2.647 0.020 . 1 . . . A 50 TYR HB2 . 19821 1 399 . 1 1 50 50 TYR HB3 H 1 2.647 0.020 . 1 . . . A 50 TYR HB3 . 19821 1 400 . 1 1 50 50 TYR CA C 13 55.805 0.300 . 1 . . . A 50 TYR CA . 19821 1 401 . 1 1 50 50 TYR N N 15 120.330 0.300 . 1 . . . A 50 TYR N . 19821 1 402 . 1 1 51 51 ARG H H 1 8.511 0.020 . 1 . . . A 51 ARG H . 19821 1 403 . 1 1 51 51 ARG HA H 1 4.957 0.020 . 1 . . . A 51 ARG HA . 19821 1 404 . 1 1 51 51 ARG HB2 H 1 1.324 0.020 . 1 . . . A 51 ARG HB2 . 19821 1 405 . 1 1 51 51 ARG HB3 H 1 1.324 0.020 . 1 . . . A 51 ARG HB3 . 19821 1 406 . 1 1 51 51 ARG HD2 H 1 3.133 0.020 . 1 . . . A 51 ARG HD2 . 19821 1 407 . 1 1 51 51 ARG HD3 H 1 3.133 0.020 . 1 . . . A 51 ARG HD3 . 19821 1 408 . 1 1 51 51 ARG CA C 13 53.834 0.300 . 1 . . . A 51 ARG CA . 19821 1 409 . 1 1 51 51 ARG N N 15 120.608 0.300 . 1 . . . A 51 ARG N . 19821 1 410 . 1 1 52 52 LYS H H 1 8.324 0.020 . 1 . . . A 52 LYS H . 19821 1 411 . 1 1 52 52 LYS HA H 1 4.371 0.020 . 1 . . . A 52 LYS HA . 19821 1 412 . 1 1 52 52 LYS HB2 H 1 1.785 0.020 . 1 . . . A 52 LYS HB2 . 19821 1 413 . 1 1 52 52 LYS HB3 H 1 1.785 0.020 . 1 . . . A 52 LYS HB3 . 19821 1 414 . 1 1 52 52 LYS CA C 13 55.626 0.300 . 1 . . . A 52 LYS CA . 19821 1 415 . 1 1 52 52 LYS N N 15 121.992 0.300 . 1 . . . A 52 LYS N . 19821 1 416 . 1 1 53 53 TRP H H 1 8.457 0.020 . 1 . . . A 53 TRP H . 19821 1 417 . 1 1 53 53 TRP HA H 1 4.996 0.020 . 1 . . . A 53 TRP HA . 19821 1 418 . 1 1 53 53 TRP HB2 H 1 2.951 0.020 . 2 . . . A 53 TRP HB2 . 19821 1 419 . 1 1 53 53 TRP HB3 H 1 2.511 0.020 . 2 . . . A 53 TRP HB3 . 19821 1 420 . 1 1 53 53 TRP CA C 13 56.462 0.300 . 1 . . . A 53 TRP CA . 19821 1 421 . 1 1 53 53 TRP N N 15 121.803 0.300 . 1 . . . A 53 TRP N . 19821 1 422 . 1 1 54 54 ARG H H 1 9.555 0.020 . 1 . . . A 54 ARG H . 19821 1 423 . 1 1 54 54 ARG HA H 1 4.462 0.020 . 1 . . . A 54 ARG HA . 19821 1 424 . 1 1 54 54 ARG HB2 H 1 1.565 0.020 . 1 . . . A 54 ARG HB2 . 19821 1 425 . 1 1 54 54 ARG HB3 H 1 1.565 0.020 . 1 . . . A 54 ARG HB3 . 19821 1 426 . 1 1 54 54 ARG CA C 13 55.088 0.300 . 1 . . . A 54 ARG CA . 19821 1 427 . 1 1 54 54 ARG N N 15 127.059 0.300 . 1 . . . A 54 ARG N . 19821 1 428 . 1 1 55 55 HIS H H 1 9.019 0.020 . 1 . . . A 55 HIS H . 19821 1 429 . 1 1 55 55 HIS HA H 1 5.089 0.020 . 1 . . . A 55 HIS HA . 19821 1 430 . 1 1 55 55 HIS HB2 H 1 2.983 0.020 . 1 . . . A 55 HIS HB2 . 19821 1 431 . 1 1 55 55 HIS HB3 H 1 2.983 0.020 . 1 . . . A 55 HIS HB3 . 19821 1 432 . 1 1 55 55 HIS CA C 13 55.984 0.300 . 1 . . . A 55 HIS CA . 19821 1 433 . 1 1 55 55 HIS N N 15 127.930 0.300 . 1 . . . A 55 HIS N . 19821 1 434 . 1 1 56 56 PHE H H 1 8.707 0.020 . 1 . . . A 56 PHE H . 19821 1 435 . 1 1 56 56 PHE HA H 1 4.627 0.020 . 1 . . . A 56 PHE HA . 19821 1 436 . 1 1 56 56 PHE HB2 H 1 2.867 0.020 . 1 . . . A 56 PHE HB2 . 19821 1 437 . 1 1 56 56 PHE HB3 H 1 2.867 0.020 . 1 . . . A 56 PHE HB3 . 19821 1 438 . 1 1 56 56 PHE CA C 13 58.195 0.300 . 1 . . . A 56 PHE CA . 19821 1 439 . 1 1 56 56 PHE N N 15 125.912 0.300 . 1 . . . A 56 PHE N . 19821 1 440 . 1 1 57 57 SER H H 1 8.829 0.020 . 1 . . . A 57 SER H . 19821 1 441 . 1 1 57 57 SER HA H 1 3.727 0.020 . 1 . . . A 57 SER HA . 19821 1 442 . 1 1 57 57 SER HB2 H 1 3.124 0.020 . 1 . . . A 57 SER HB2 . 19821 1 443 . 1 1 57 57 SER HB3 H 1 3.124 0.020 . 1 . . . A 57 SER HB3 . 19821 1 444 . 1 1 57 57 SER CA C 13 58.433 0.300 . 1 . . . A 57 SER CA . 19821 1 445 . 1 1 57 57 SER N N 15 124.434 0.300 . 1 . . . A 57 SER N . 19821 1 446 . 1 1 58 58 GLY H H 1 8.456 0.020 . 1 . . . A 58 GLY H . 19821 1 447 . 1 1 58 58 GLY HA2 H 1 3.959 0.020 . 2 . . . A 58 GLY HA2 . 19821 1 448 . 1 1 58 58 GLY HA3 H 1 3.519 0.020 . 2 . . . A 58 GLY HA3 . 19821 1 449 . 1 1 58 58 GLY CA C 13 45.769 0.300 . 1 . . . A 58 GLY CA . 19821 1 450 . 1 1 58 58 GLY N N 15 108.465 0.300 . 1 . . . A 58 GLY N . 19821 1 451 . 1 1 59 59 ARG H H 1 7.803 0.020 . 1 . . . A 59 ARG H . 19821 1 452 . 1 1 59 59 ARG HA H 1 4.381 0.020 . 1 . . . A 59 ARG HA . 19821 1 453 . 1 1 59 59 ARG HB2 H 1 1.572 0.020 . 1 . . . A 59 ARG HB2 . 19821 1 454 . 1 1 59 59 ARG HB3 H 1 1.572 0.020 . 1 . . . A 59 ARG HB3 . 19821 1 455 . 1 1 59 59 ARG HG2 H 1 1.423 0.020 . 1 . . . A 59 ARG HG2 . 19821 1 456 . 1 1 59 59 ARG HG3 H 1 1.423 0.020 . 1 . . . A 59 ARG HG3 . 19821 1 457 . 1 1 59 59 ARG HD2 H 1 3.046 0.020 . 1 . . . A 59 ARG HD2 . 19821 1 458 . 1 1 59 59 ARG HD3 H 1 3.046 0.020 . 1 . . . A 59 ARG HD3 . 19821 1 459 . 1 1 59 59 ARG CA C 13 54.849 0.300 . 1 . . . A 59 ARG CA . 19821 1 460 . 1 1 59 59 ARG N N 15 122.424 0.300 . 1 . . . A 59 ARG N . 19821 1 461 . 1 1 60 60 LYS H H 1 7.912 0.020 . 1 . . . A 60 LYS H . 19821 1 462 . 1 1 60 60 LYS HA H 1 5.041 0.020 . 1 . . . A 60 LYS HA . 19821 1 463 . 1 1 60 60 LYS HB2 H 1 1.099 0.020 . 1 . . . A 60 LYS HB2 . 19821 1 464 . 1 1 60 60 LYS HB3 H 1 1.099 0.020 . 1 . . . A 60 LYS HB3 . 19821 1 465 . 1 1 60 60 LYS CA C 13 55.122 0.300 . 1 . . . A 60 LYS CA . 19821 1 466 . 1 1 60 60 LYS N N 15 121.613 0.300 . 1 . . . A 60 LYS N . 19821 1 467 . 1 1 61 61 TYR H H 1 8.883 0.020 . 1 . . . A 61 TYR H . 19821 1 468 . 1 1 61 61 TYR HA H 1 4.902 0.020 . 1 . . . A 61 TYR HA . 19821 1 469 . 1 1 61 61 TYR HB2 H 1 3.014 0.020 . 2 . . . A 61 TYR HB2 . 19821 1 470 . 1 1 61 61 TYR HB3 H 1 2.469 0.020 . 2 . . . A 61 TYR HB3 . 19821 1 471 . 1 1 61 61 TYR CA C 13 56.522 0.300 . 1 . . . A 61 TYR CA . 19821 1 472 . 1 1 61 61 TYR N N 15 122.435 0.300 . 1 . . . A 61 TYR N . 19821 1 473 . 1 1 62 62 ARG H H 1 9.197 0.020 . 1 . . . A 62 ARG H . 19821 1 474 . 1 1 62 62 ARG HA H 1 3.766 0.020 . 1 . . . A 62 ARG HA . 19821 1 475 . 1 1 62 62 ARG HB2 H 1 1.144 0.020 . 1 . . . A 62 ARG HB2 . 19821 1 476 . 1 1 62 62 ARG HB3 H 1 1.144 0.020 . 1 . . . A 62 ARG HB3 . 19821 1 477 . 1 1 62 62 ARG CA C 13 56.402 0.300 . 1 . . . A 62 ARG CA . 19821 1 478 . 1 1 62 62 ARG N N 15 127.580 0.300 . 1 . . . A 62 ARG N . 19821 1 479 . 1 1 63 63 GLU H H 1 8.525 0.020 . 1 . . . A 63 GLU H . 19821 1 480 . 1 1 63 63 GLU HA H 1 4.426 0.020 . 1 . . . A 63 GLU HA . 19821 1 481 . 1 1 63 63 GLU CA C 13 53.834 0.300 . 1 . . . A 63 GLU CA . 19821 1 482 . 1 1 63 63 GLU N N 15 124.048 0.300 . 1 . . . A 63 GLU N . 19821 1 483 . 1 1 64 64 TYR H H 1 8.578 0.020 . 1 . . . A 64 TYR H . 19821 1 484 . 1 1 64 64 TYR HA H 1 4.536 0.020 . 1 . . . A 64 TYR HA . 19821 1 485 . 1 1 64 64 TYR HB2 H 1 2.613 0.020 . 1 . . . A 64 TYR HB2 . 19821 1 486 . 1 1 64 64 TYR CA C 13 57.358 0.300 . 1 . . . A 64 TYR CA . 19821 1 487 . 1 1 64 64 TYR N N 15 121.860 0.300 . 1 . . . A 64 TYR N . 19821 1 488 . 1 1 65 65 CYS H H 1 8.313 0.020 . 1 . . . A 65 CYS H . 19821 1 489 . 1 1 65 65 CYS HA H 1 4.756 0.020 . 1 . . . A 65 CYS HA . 19821 1 490 . 1 1 65 65 CYS HB2 H 1 2.466 0.020 . 1 . . . A 65 CYS HB2 . 19821 1 491 . 1 1 65 65 CYS HB3 H 1 2.466 0.020 . 1 . . . A 65 CYS HB3 . 19821 1 492 . 1 1 65 65 CYS CA C 13 53.177 0.300 . 1 . . . A 65 CYS CA . 19821 1 493 . 1 1 65 65 CYS N N 15 119.180 0.300 . 1 . . . A 65 CYS N . 19821 1 494 . 1 1 66 66 LEU H H 1 8.917 0.020 . 1 . . . A 66 LEU H . 19821 1 495 . 1 1 66 66 LEU HA H 1 4.151 0.020 . 1 . . . A 66 LEU HA . 19821 1 496 . 1 1 66 66 LEU HB2 H 1 1.217 0.020 . 1 . . . A 66 LEU HB2 . 19821 1 497 . 1 1 66 66 LEU HB3 H 1 1.217 0.020 . 1 . . . A 66 LEU HB3 . 19821 1 498 . 1 1 66 66 LEU CA C 13 55.805 0.300 . 1 . . . A 66 LEU CA . 19821 1 499 . 1 1 66 66 LEU N N 15 125.298 0.300 . 1 . . . A 66 LEU N . 19821 1 500 . 1 1 67 67 LYS H H 1 7.966 0.020 . 1 . . . A 67 LYS H . 19821 1 501 . 1 1 67 67 LYS HA H 1 4.169 0.020 . 1 . . . A 67 LYS HA . 19821 1 502 . 1 1 67 67 LYS HB2 H 1 1.217 0.020 . 1 . . . A 67 LYS HB2 . 19821 1 503 . 1 1 67 67 LYS HB3 H 1 1.217 0.020 . 1 . . . A 67 LYS HB3 . 19821 1 504 . 1 1 67 67 LYS CA C 13 57.478 0.300 . 1 . . . A 67 LYS CA . 19821 1 505 . 1 1 67 67 LYS N N 15 126.834 0.300 . 1 . . . A 67 LYS N . 19821 1 506 . 1 1 68 68 HIS H H 1 8.648 0.020 . 1 . . . A 68 HIS H . 19821 1 507 . 1 1 68 68 HIS HA H 1 4.583 0.020 . 1 . . . A 68 HIS HA . 19821 1 508 . 1 1 68 68 HIS HB2 H 1 3.079 0.020 . 1 . . . A 68 HIS HB2 . 19821 1 509 . 1 1 68 68 HIS HB3 H 1 3.079 0.020 . 1 . . . A 68 HIS HB3 . 19821 1 510 . 1 1 68 68 HIS CA C 13 55.566 0.300 . 1 . . . A 68 HIS CA . 19821 1 511 . 1 1 68 68 HIS N N 15 122.718 0.300 . 1 . . . A 68 HIS N . 19821 1 512 . 1 1 69 69 ARG H H 1 8.334 0.020 . 1 . . . A 69 ARG H . 19821 1 513 . 1 1 69 69 ARG HA H 1 4.093 0.020 . 1 . . . A 69 ARG HA . 19821 1 514 . 1 1 69 69 ARG HB2 H 1 1.602 0.020 . 1 . . . A 69 ARG HB2 . 19821 1 515 . 1 1 69 69 ARG HB3 H 1 1.602 0.020 . 1 . . . A 69 ARG HB3 . 19821 1 516 . 1 1 69 69 ARG CA C 13 56.940 0.300 . 1 . . . A 69 ARG CA . 19821 1 517 . 1 1 69 69 ARG N N 15 125.371 0.300 . 1 . . . A 69 ARG N . 19821 1 518 . 1 1 70 70 ASP H H 1 8.400 0.020 . 1 . . . A 70 ASP H . 19821 1 519 . 1 1 70 70 ASP HA H 1 4.427 0.020 . 1 . . . A 70 ASP HA . 19821 1 520 . 1 1 70 70 ASP HB2 H 1 2.493 0.020 . 1 . . . A 70 ASP HB2 . 19821 1 521 . 1 1 70 70 ASP HB3 H 1 2.493 0.020 . 1 . . . A 70 ASP HB3 . 19821 1 522 . 1 1 70 70 ASP CA C 13 54.908 0.300 . 1 . . . A 70 ASP CA . 19821 1 523 . 1 1 70 70 ASP N N 15 123.332 0.300 . 1 . . . A 70 ASP N . 19821 1 524 . 1 1 71 71 GLU H H 1 8.300 0.020 . 1 . . . A 71 GLU H . 19821 1 525 . 1 1 71 71 GLU HA H 1 4.077 0.020 . 1 . . . A 71 GLU HA . 19821 1 526 . 1 1 71 71 GLU HB2 H 1 2.115 0.020 . 2 . . . A 71 GLU HB2 . 19821 1 527 . 1 1 71 71 GLU HB3 H 1 1.859 0.020 . 2 . . . A 71 GLU HB3 . 19821 1 528 . 1 1 71 71 GLU CA C 13 57.484 0.300 . 1 . . . A 71 GLU CA . 19821 1 529 . 1 1 71 71 GLU N N 15 123.365 0.300 . 1 . . . A 71 GLU N . 19821 1 530 . 1 1 72 72 LEU H H 1 8.038 0.020 . 1 . . . A 72 LEU H . 19821 1 531 . 1 1 72 72 LEU HA H 1 4.114 0.020 . 1 . . . A 72 LEU HA . 19821 1 532 . 1 1 72 72 LEU HB2 H 1 1.474 0.020 . 1 . . . A 72 LEU HB2 . 19821 1 533 . 1 1 72 72 LEU HB3 H 1 1.474 0.020 . 1 . . . A 72 LEU HB3 . 19821 1 534 . 1 1 72 72 LEU CA C 13 55.865 0.300 . 1 . . . A 72 LEU CA . 19821 1 535 . 1 1 72 72 LEU N N 15 123.444 0.300 . 1 . . . A 72 LEU N . 19821 1 536 . 1 1 73 73 ALA H H 1 7.890 0.020 . 1 . . . A 73 ALA H . 19821 1 537 . 1 1 73 73 ALA HA H 1 4.041 0.020 . 1 . . . A 73 ALA HA . 19821 1 538 . 1 1 73 73 ALA HB1 H 1 1.217 0.020 . 1 . . . A 73 ALA HB . 19821 1 539 . 1 1 73 73 ALA HB2 H 1 1.217 0.020 . 1 . . . A 73 ALA HB . 19821 1 540 . 1 1 73 73 ALA HB3 H 1 1.217 0.020 . 1 . . . A 73 ALA HB . 19821 1 541 . 1 1 73 73 ALA CA C 13 53.475 0.300 . 1 . . . A 73 ALA CA . 19821 1 542 . 1 1 73 73 ALA N N 15 125.204 0.300 . 1 . . . A 73 ALA N . 19821 1 543 . 1 1 74 74 ASP H H 1 7.980 0.020 . 1 . . . A 74 ASP H . 19821 1 544 . 1 1 74 74 ASP HA H 1 4.407 0.020 . 1 . . . A 74 ASP HA . 19821 1 545 . 1 1 74 74 ASP HB2 H 1 2.556 0.020 . 1 . . . A 74 ASP HB2 . 19821 1 546 . 1 1 74 74 ASP HB3 H 1 2.556 0.020 . 1 . . . A 74 ASP HB3 . 19821 1 547 . 1 1 74 74 ASP CA C 13 54.790 0.300 . 1 . . . A 74 ASP CA . 19821 1 548 . 1 1 74 74 ASP N N 15 120.369 0.300 . 1 . . . A 74 ASP N . 19821 1 549 . 1 1 75 75 LEU H H 1 7.902 0.020 . 1 . . . A 75 LEU H . 19821 1 550 . 1 1 75 75 LEU HA H 1 3.978 0.020 . 1 . . . A 75 LEU HA . 19821 1 551 . 1 1 75 75 LEU HB2 H 1 1.474 0.020 . 1 . . . A 75 LEU HB2 . 19821 1 552 . 1 1 75 75 LEU HB3 H 1 1.474 0.020 . 1 . . . A 75 LEU HB3 . 19821 1 553 . 1 1 75 75 LEU CA C 13 56.343 0.300 . 1 . . . A 75 LEU CA . 19821 1 554 . 1 1 75 75 LEU N N 15 123.629 0.300 . 1 . . . A 75 LEU N . 19821 1 555 . 1 1 76 76 GLU H H 1 7.994 0.020 . 1 . . . A 76 GLU H . 19821 1 556 . 1 1 76 76 GLU HA H 1 3.949 0.020 . 1 . . . A 76 GLU HA . 19821 1 557 . 1 1 76 76 GLU HB2 H 1 2.005 0.020 . 2 . . . A 76 GLU HB2 . 19821 1 558 . 1 1 76 76 GLU HB3 H 1 1.712 0.020 . 2 . . . A 76 GLU HB3 . 19821 1 559 . 1 1 76 76 GLU CA C 13 57.239 0.300 . 1 . . . A 76 GLU CA . 19821 1 560 . 1 1 76 76 GLU N N 15 120.501 0.300 . 1 . . . A 76 GLU N . 19821 1 561 . 1 1 77 77 HIS H H 1 7.959 0.020 . 1 . . . A 77 HIS H . 19821 1 562 . 1 1 77 77 HIS HA H 1 4.399 0.020 . 1 . . . A 77 HIS HA . 19821 1 563 . 1 1 77 77 HIS HB2 H 1 2.959 0.020 . 1 . . . A 77 HIS HB2 . 19821 1 564 . 1 1 77 77 HIS HB3 H 1 2.959 0.020 . 1 . . . A 77 HIS HB3 . 19821 1 565 . 1 1 77 77 HIS CA C 13 56.044 0.300 . 1 . . . A 77 HIS CA . 19821 1 566 . 1 1 77 77 HIS N N 15 119.010 0.300 . 1 . . . A 77 HIS N . 19821 1 stop_ save_