data_7402 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7402 _Entry.Title ; Spatial Structure and Membrane Permeabilization for Latarcin-1, a Spider Antimicrobial Peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-08-30 _Entry.Accession_date 2007-10-01 _Entry.Last_release_date 2008-07-08 _Entry.Original_release_date 2008-07-08 _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 P. Dubovskii P. V. . 7402 2 P. Volynsky P. E. . 7402 3 A. Polyansky A. A. . 7402 4 V. Chupin V. V. . 7402 5 R. Efremov R. G. . 7402 6 A. Arseniev A. S. . 7402 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'continuous helix' . 7402 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7402 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 162 7402 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 . . 2008-07-08 2007-08-30 original author . 7402 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2PCO 'BMRB Entry Tracking System' 7402 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 7402 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18293934 _Citation.Full_citation . _Citation.Title 'Three-dimensional structure/hydrophobicity of latarcins specifies their mode of membrane activity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 11 _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 3525 _Citation.Page_last 3533 _Citation.Year 2008 _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 P. Dubovskii P. V. . 7402 1 2 P. Volynsky P. E. . 7402 1 3 A. Polyansky A. A. . 7402 1 4 D. Karpunin D. V. . 7402 1 5 V. Chupin V. V. . 7402 1 6 R. Efremov R. G. . 7402 1 7 A. Arseniev A. S. . 7402 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7402 _Assembly.ID 1 _Assembly.Name Latarcin-1 _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 Latarcin-1 1 $Latarcin-1 A . yes native no no . . . 7402 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Latarcin-1 _Entity.Sf_category entity _Entity.Sf_framecode Latarcin-1 _Entity.Entry_ID 7402 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Latarcin-1 _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 ; SMWSGMWRRKLKKLRNALKK KLKGEK ; _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 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 15463 . Latarcin-1 . . . . . 100.00 26 100.00 100.00 1.82e-06 . . . . 7402 1 2 no PDB 2PCO . "Spatial Structure And Membrane Permeabilization For Latarcin-1, A Spider Antimicrobial Peptide" . . . . . 100.00 26 100.00 100.00 1.82e-06 . . . . 7402 1 3 no EMBL CAJ81660 . "latarcin 1 precursor, pLtc 1 [Lachesana tarabaevi]" . . . . . 100.00 88 100.00 100.00 2.15e-07 . . . . 7402 1 4 no SP Q1ELT9 . "RecName: Full=M-zodatoxin-Lt1a; Short=M-ZDTX-Lt1a; AltName: Full=Latarcin-1; Short=Ltc-1; Short=Ltc1; Flags: Precursor [Lachesa" . . . . . 100.00 88 100.00 100.00 2.15e-07 . . . . 7402 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Antibiotic SWS-KEYWORD 7402 1 Antimicrobial SWS-KEYWORD 7402 1 Cytolysis SWS-KEYWORD 7402 1 'Direct protein sequencing' SWS-KEYWORD 7402 1 Fungicide SWS-KEYWORD 7402 1 Hemolysis SWS-KEYWORD 7402 1 Latarcin-1 RCSB_NAME 7402 1 Ltc-1 SWS-SYNONYM 7402 1 Signal SWS-KEYWORD 7402 1 Toxin SWS-KEYWORD 7402 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 . SER . 7402 1 2 . MET . 7402 1 3 . TRP . 7402 1 4 . SER . 7402 1 5 . GLY . 7402 1 6 . MET . 7402 1 7 . TRP . 7402 1 8 . ARG . 7402 1 9 . ARG . 7402 1 10 . LYS . 7402 1 11 . LEU . 7402 1 12 . LYS . 7402 1 13 . LYS . 7402 1 14 . LEU . 7402 1 15 . ARG . 7402 1 16 . ASN . 7402 1 17 . ALA . 7402 1 18 . LEU . 7402 1 19 . LYS . 7402 1 20 . LYS . 7402 1 21 . LYS . 7402 1 22 . LEU . 7402 1 23 . LYS . 7402 1 24 . GLY . 7402 1 25 . GLU . 7402 1 26 . LYS . 7402 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 . SER 1 1 7402 1 . MET 2 2 7402 1 . TRP 3 3 7402 1 . SER 4 4 7402 1 . GLY 5 5 7402 1 . MET 6 6 7402 1 . TRP 7 7 7402 1 . ARG 8 8 7402 1 . ARG 9 9 7402 1 . LYS 10 10 7402 1 . LEU 11 11 7402 1 . LYS 12 12 7402 1 . LYS 13 13 7402 1 . LEU 14 14 7402 1 . ARG 15 15 7402 1 . ASN 16 16 7402 1 . ALA 17 17 7402 1 . LEU 18 18 7402 1 . LYS 19 19 7402 1 . LYS 20 20 7402 1 . LYS 21 21 7402 1 . LEU 22 22 7402 1 . LYS 23 23 7402 1 . GLY 24 24 7402 1 . GLU 25 25 7402 1 . LYS 26 26 7402 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 7402 _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 $Latarcin-1 . 379576 organism . . . . . Eukaryota Metazoa Lachesana tarabaevi . . . . . . . . . . . . . . . . . . . . . 7402 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 7402 _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 $Latarcin-1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'The peptide was chemically synthesized. This sequence occurs naturally in spider (Lachesana tarabaevi) venom.' . . 7402 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7402 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM Ltc1, 120 mM perdeuterated SDS, pH 7.1, salt-free, 90% H2O, 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ltc1 'natural abundance' . . 1 $Latarcin-1 . . 2 . . mM . . . . 7402 1 2 'perdeuterated SDS' . . . . . . . 120 . . mM . . . . 7402 1 3 H2O . . . . . . . 90 . . % . . . . 7402 1 4 D2O . . . . . . . 10 . . % . . . . 7402 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7402 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM Ltc1, 120 mM perdeuterated SDS, pH 7.1, salt-free, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Ltc1 'natural abundance' . . 1 $Latarcin-1 . . 2 . . mM . . . . 7402 2 2 'perdeuterated SDS' . . . . . . . 120 . . mM . . . . 7402 2 3 D2O . . . . . . . 100 . . % . . . . 7402 2 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 7402 _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 pH 7.1 . pH 7402 1 pressure 1 . atm 7402 1 temperature 318 . K 7402 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7402 _Software.ID 1 _Software.Name CYANA _Software.Version 1.0.6. _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert P.' . . 7402 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7402 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7402 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.1.a _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . . 7402 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7402 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 7402 _Software.ID 3 _Software.Name XEASY _Software.Version 40.005 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Xia & Bartels' . . 7402 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7402 3 stop_ save_ save_FANMEM _Software.Sf_category software _Software.Sf_framecode FANMEM _Software.Entry_ID 7402 _Software.ID 4 _Software.Name FANMEM _Software.Version 4.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nolde, Arseniev, Vergoten, Efremov' . . 7402 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7402 4 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 7402 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_500 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 500 _NMR_spectrometer_list.Entry_ID 7402 _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 DRX . 500 . . . 7402 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 7402 _Experiment_list.ID 1 _Experiment_list.Details 'This structure was determined using standard 2D homonuclear techniques.' 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 TOCSY' no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7402 1 2 '2D NOESY' no . . . . . . . . . . 1 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7402 1 3 '2D NOESY' no . . . . . . . . . . 2 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7402 1 4 DQF-COSY no . . . . . . . . . . 2 . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 7402 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 7402 _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 H 1 H2O 'hydroxyl protons' . . . . ppm 4.60 internal direct 1.000000000 . . . . . . . . . 7402 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 7402 _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 '2D TOCSY' . . . 7402 1 2 '2D NOESY' . . . 7402 1 3 '2D NOESY' . . . 7402 1 4 DQF-COSY . . . 7402 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 SER HA H 1 4.22298 0.005 . . . . . . 1 SER HA . 7402 1 2 . 1 1 1 1 SER HB2 H 1 3.98848 0.005 . . . . . . 1 SER QB . 7402 1 3 . 1 1 1 1 SER HB3 H 1 3.98848 0.005 . . . . . . 1 SER QB . 7402 1 4 . 1 1 2 2 MET HA H 1 4.30905 0.005 . . . . . . 2 MET HA . 7402 1 5 . 1 1 3 3 TRP H H 1 7.67812 0.005 . . . . . . 3 TRP HN . 7402 1 6 . 1 1 3 3 TRP HA H 1 4.87701 0.00305 . . . . . . 3 TRP HA . 7402 1 7 . 1 1 3 3 TRP HB2 H 1 3.31757 0.005 . . . . . . 3 TRP HB2 . 7402 1 8 . 1 1 3 3 TRP HB3 H 1 3.49631 0.005 . . . . . . 3 TRP HB3 . 7402 1 9 . 1 1 3 3 TRP HD1 H 1 7.31059 0.005 . . . . . . 3 TRP HD1 . 7402 1 10 . 1 1 3 3 TRP HE1 H 1 9.81157 0.005 . . . . . . 3 TRP HE1 . 7402 1 11 . 1 1 3 3 TRP HE3 H 1 7.42337 0.005 . . . . . . 3 TRP HE3 . 7402 1 12 . 1 1 3 3 TRP HH2 H 1 7.07623 0.005 . . . . . . 3 TRP HH2 . 7402 1 13 . 1 1 3 3 TRP HZ2 H 1 7.40120 0.005 . . . . . . 3 TRP HZ2 . 7402 1 14 . 1 1 3 3 TRP HZ3 H 1 7.00746 0.005 . . . . . . 3 TRP HZ3 . 7402 1 15 . 1 1 4 4 SER H H 1 8.19072 0.00030 . . . . . . 4 SER HN . 7402 1 16 . 1 1 4 4 SER HA H 1 4.41639 0.005 . . . . . . 4 SER HA . 7402 1 17 . 1 1 4 4 SER HB2 H 1 3.99210 0.00634 . . . . . . 4 SER HB2 . 7402 1 18 . 1 1 4 4 SER HB3 H 1 4.11101 0.00565 . . . . . . 4 SER HB3 . 7402 1 19 . 1 1 5 5 GLY H H 1 8.25954 0.00166 . . . . . . 5 GLY HN . 7402 1 20 . 1 1 5 5 GLY HA2 H 1 3.98065 0.005 . . . . . . 5 GLY HA1 . 7402 1 21 . 1 1 5 5 GLY HA3 H 1 4.06001 0.00052 . . . . . . 5 GLY HA2 . 7402 1 22 . 1 1 6 6 MET H H 1 8.02271 0.005 . . . . . . 6 MET HN . 7402 1 23 . 1 1 6 6 MET HA H 1 4.40269 0.005 . . . . . . 6 MET HA . 7402 1 24 . 1 1 6 6 MET HB2 H 1 1.86429 0.005 . . . . . . 6 MET HB2 . 7402 1 25 . 1 1 6 6 MET HB3 H 1 1.95980 0.005 . . . . . . 6 MET HB3 . 7402 1 26 . 1 1 6 6 MET HG2 H 1 2.00738 0.005 . . . . . . 6 MET QG . 7402 1 27 . 1 1 6 6 MET HG3 H 1 2.00738 0.005 . . . . . . 6 MET QG . 7402 1 28 . 1 1 7 7 TRP H H 1 8.14589 0.005 . . . . . . 7 TRP HN . 7402 1 29 . 1 1 7 7 TRP HA H 1 4.39424 0.005 . . . . . . 7 TRP HA . 7402 1 30 . 1 1 7 7 TRP HB2 H 1 3.29419 0.005 . . . . . . 7 TRP HB2 . 7402 1 31 . 1 1 7 7 TRP HB3 H 1 3.39317 0.005 . . . . . . 7 TRP HB3 . 7402 1 32 . 1 1 7 7 TRP HD1 H 1 7.44741 0.00233 . . . . . . 7 TRP HD1 . 7402 1 33 . 1 1 7 7 TRP HE1 H 1 9.79690 0.005 . . . . . . 7 TRP HE1 . 7402 1 34 . 1 1 7 7 TRP HE3 H 1 7.44886 0.005 . . . . . . 7 TRP HE3 . 7402 1 35 . 1 1 7 7 TRP HH2 H 1 7.11173 0.005 . . . . . . 7 TRP HH2 . 7402 1 36 . 1 1 7 7 TRP HZ2 H 1 7.46830 0.005 . . . . . . 7 TRP HZ2 . 7402 1 37 . 1 1 7 7 TRP HZ3 H 1 6.97390 0.005 . . . . . . 7 TRP HZ3 . 7402 1 38 . 1 1 8 8 ARG H H 1 7.82473 0.005 . . . . . . 8 ARG HN . 7402 1 39 . 1 1 8 8 ARG HA H 1 3.88796 0.005 . . . . . . 8 ARG HA . 7402 1 40 . 1 1 8 8 ARG HB2 H 1 1.73410 0.005 . . . . . . 8 ARG HB2 . 7402 1 41 . 1 1 8 8 ARG HB3 H 1 1.86000 0.005 . . . . . . 8 ARG HB3 . 7402 1 42 . 1 1 8 8 ARG HD2 H 1 3.17337 0.005 . . . . . . 8 ARG QD . 7402 1 43 . 1 1 8 8 ARG HD3 H 1 3.17337 0.005 . . . . . . 8 ARG QD . 7402 1 44 . 1 1 8 8 ARG HE H 1 7.13225 0.005 . . . . . . 8 ARG HE . 7402 1 45 . 1 1 8 8 ARG HG2 H 1 1.47036 0.005 . . . . . . 8 ARG QG . 7402 1 46 . 1 1 8 8 ARG HG3 H 1 1.47036 0.005 . . . . . . 8 ARG QG . 7402 1 47 . 1 1 9 9 ARG H H 1 7.66757 0.005 . . . . . . 9 ARG HN . 7402 1 48 . 1 1 9 9 ARG HA H 1 4.09243 0.005 . . . . . . 9 ARG HA . 7402 1 49 . 1 1 9 9 ARG HB2 H 1 1.96346 0.005 . . . . . . 9 ARG QB . 7402 1 50 . 1 1 9 9 ARG HB3 H 1 1.96346 0.005 . . . . . . 9 ARG QB . 7402 1 51 . 1 1 9 9 ARG HD2 H 1 3.22170 0.005 . . . . . . 9 ARG QD . 7402 1 52 . 1 1 9 9 ARG HD3 H 1 3.22170 0.005 . . . . . . 9 ARG QD . 7402 1 53 . 1 1 9 9 ARG HE H 1 7.23777 0.005 . . . . . . 9 ARG HE . 7402 1 54 . 1 1 9 9 ARG HG2 H 1 1.70578 0.005 . . . . . . 9 ARG HG2 . 7402 1 55 . 1 1 9 9 ARG HG3 H 1 1.81384 0.005 . . . . . . 9 ARG HG3 . 7402 1 56 . 1 1 10 10 LYS H H 1 7.82156 0.005 . . . . . . 10 LYS HN . 7402 1 57 . 1 1 10 10 LYS HA H 1 4.10910 0.005 . . . . . . 10 LYS HA . 7402 1 58 . 1 1 10 10 LYS HB2 H 1 1.86419 0.005 . . . . . . 10 LYS HB2 . 7402 1 59 . 1 1 10 10 LYS HB3 H 1 2.05833 0.005 . . . . . . 10 LYS HB3 . 7402 1 60 . 1 1 10 10 LYS HG2 H 1 1.50838 0.005 . . . . . . 10 LYS HG2 . 7402 1 61 . 1 1 10 10 LYS HG3 H 1 1.57322 0.005 . . . . . . 10 LYS HG3 . 7402 1 62 . 1 1 11 11 LEU H H 1 8.19412 0.005 . . . . . . 11 LEU HN . 7402 1 63 . 1 1 11 11 LEU HA H 1 4.16538 0.005 . . . . . . 11 LEU HA . 7402 1 64 . 1 1 11 11 LEU HB2 H 1 1.82913 0.09591 . . . . . . 11 LEU HB2 . 7402 1 65 . 1 1 11 11 LEU HB3 H 1 1.97012 0.00179 . . . . . . 11 LEU HB3 . 7402 1 66 . 1 1 11 11 LEU HD11 H 1 0.98257 0.005 . . . . . . 11 LEU QD1 . 7402 1 67 . 1 1 11 11 LEU HD12 H 1 0.98257 0.005 . . . . . . 11 LEU QD1 . 7402 1 68 . 1 1 11 11 LEU HD13 H 1 0.98257 0.005 . . . . . . 11 LEU QD1 . 7402 1 69 . 1 1 11 11 LEU HD21 H 1 1.02476 0.005 . . . . . . 11 LEU QD2 . 7402 1 70 . 1 1 11 11 LEU HD22 H 1 1.02476 0.005 . . . . . . 11 LEU QD2 . 7402 1 71 . 1 1 11 11 LEU HD23 H 1 1.02476 0.005 . . . . . . 11 LEU QD2 . 7402 1 72 . 1 1 12 12 LYS H H 1 7.89018 0.005 . . . . . . 12 LYS HN . 7402 1 73 . 1 1 12 12 LYS HA H 1 4.01243 0.005 . . . . . . 12 LYS HA . 7402 1 74 . 1 1 12 12 LYS HB2 H 1 1.95741 0.00003 . . . . . . 12 LYS QB . 7402 1 75 . 1 1 12 12 LYS HB3 H 1 1.95741 0.00003 . . . . . . 12 LYS QB . 7402 1 76 . 1 1 12 12 LYS HG2 H 1 1.73760 0.005 . . . . . . 12 LYS QG . 7402 1 77 . 1 1 12 12 LYS HG3 H 1 1.73760 0.005 . . . . . . 12 LYS QG . 7402 1 78 . 1 1 13 13 LYS H H 1 7.90657 0.005 . . . . . . 13 LYS HN . 7402 1 79 . 1 1 13 13 LYS HA H 1 4.09838 0.005 . . . . . . 13 LYS HA . 7402 1 80 . 1 1 13 13 LYS HB2 H 1 2.03466 0.00029 . . . . . . 13 LYS QB . 7402 1 81 . 1 1 13 13 LYS HB3 H 1 2.03466 0.00029 . . . . . . 13 LYS QB . 7402 1 82 . 1 1 13 13 LYS HG2 H 1 1.55705 0.005 . . . . . . 13 LYS HG2 . 7402 1 83 . 1 1 13 13 LYS HG3 H 1 1.68937 0.005 . . . . . . 13 LYS HG3 . 7402 1 84 . 1 1 14 14 LEU H H 1 8.00249 0.005 . . . . . . 14 LEU HN . 7402 1 85 . 1 1 14 14 LEU HA H 1 4.12679 0.005 . . . . . . 14 LEU HA . 7402 1 86 . 1 1 14 14 LEU HB2 H 1 1.80120 0.005 . . . . . . 14 LEU HB2 . 7402 1 87 . 1 1 14 14 LEU HB3 H 1 1.92030 0.005 . . . . . . 14 LEU HB3 . 7402 1 88 . 1 1 14 14 LEU HD11 H 1 0.95451 0.005 . . . . . . 14 LEU QD1 . 7402 1 89 . 1 1 14 14 LEU HD12 H 1 0.95451 0.005 . . . . . . 14 LEU QD1 . 7402 1 90 . 1 1 14 14 LEU HD13 H 1 0.95451 0.005 . . . . . . 14 LEU QD1 . 7402 1 91 . 1 1 14 14 LEU HD21 H 1 1.00414 0.005 . . . . . . 14 LEU QD2 . 7402 1 92 . 1 1 14 14 LEU HD22 H 1 1.00414 0.005 . . . . . . 14 LEU QD2 . 7402 1 93 . 1 1 14 14 LEU HD23 H 1 1.00414 0.005 . . . . . . 14 LEU QD2 . 7402 1 94 . 1 1 15 15 ARG H H 1 8.45555 0.005 . . . . . . 15 ARG HN . 7402 1 95 . 1 1 15 15 ARG HA H 1 3.86984 0.005 . . . . . . 15 ARG HA . 7402 1 96 . 1 1 15 15 ARG HB2 H 1 1.93468 0.005 . . . . . . 15 ARG HB2 . 7402 1 97 . 1 1 15 15 ARG HB3 H 1 2.11383 0.005 . . . . . . 15 ARG HB3 . 7402 1 98 . 1 1 15 15 ARG HD2 H 1 2.98162 0.005 . . . . . . 15 ARG QD . 7402 1 99 . 1 1 15 15 ARG HD3 H 1 2.98162 0.005 . . . . . . 15 ARG QD . 7402 1 100 . 1 1 15 15 ARG HE H 1 6.87682 0.005 . . . . . . 15 ARG HE . 7402 1 101 . 1 1 15 15 ARG HG2 H 1 1.77956 0.005 . . . . . . 15 ARG HG2 . 7402 1 102 . 1 1 15 15 ARG HG3 H 1 1.88449 0.005 . . . . . . 15 ARG HG3 . 7402 1 103 . 1 1 16 16 ASN H H 1 8.15234 0.005 . . . . . . 16 ASN HN . 7402 1 104 . 1 1 16 16 ASN HA H 1 4.46956 0.005 . . . . . . 16 ASN HA . 7402 1 105 . 1 1 16 16 ASN HB2 H 1 2.86857 0.005 . . . . . . 16 ASN HB2 . 7402 1 106 . 1 1 16 16 ASN HB3 H 1 2.98067 0.005 . . . . . . 16 ASN HB3 . 7402 1 107 . 1 1 17 17 ALA H H 1 8.14836 0.005 . . . . . . 17 ALA HN . 7402 1 108 . 1 1 17 17 ALA HA H 1 4.20354 0.005 . . . . . . 17 ALA HA . 7402 1 109 . 1 1 17 17 ALA HB1 H 1 1.61474 0.005 . . . . . . 17 ALA QB . 7402 1 110 . 1 1 17 17 ALA HB2 H 1 1.61474 0.005 . . . . . . 17 ALA QB . 7402 1 111 . 1 1 17 17 ALA HB3 H 1 1.61474 0.005 . . . . . . 17 ALA QB . 7402 1 112 . 1 1 18 18 LEU H H 1 8.26213 0.005 . . . . . . 18 LEU HN . 7402 1 113 . 1 1 18 18 LEU HA H 1 4.19080 0.005 . . . . . . 18 LEU HA . 7402 1 114 . 1 1 18 18 LEU HB2 H 1 1.65716 0.005 . . . . . . 18 LEU HB2 . 7402 1 115 . 1 1 18 18 LEU HB3 H 1 1.88146 0.005 . . . . . . 18 LEU HB3 . 7402 1 116 . 1 1 18 18 LEU HD11 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 117 . 1 1 18 18 LEU HD12 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 118 . 1 1 18 18 LEU HD13 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 119 . 1 1 18 18 LEU HD21 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 120 . 1 1 18 18 LEU HD22 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 121 . 1 1 18 18 LEU HD23 H 1 0.93794 0.005 . . . . . . 18 LEU QQD . 7402 1 122 . 1 1 19 19 LYS H H 1 8.24064 0.005 . . . . . . 19 LYS HN . 7402 1 123 . 1 1 19 19 LYS HA H 1 3.93056 0.005 . . . . . . 19 LYS HA . 7402 1 124 . 1 1 19 19 LYS HB2 H 1 2.00689 0.005 . . . . . . 19 LYS QB . 7402 1 125 . 1 1 19 19 LYS HB3 H 1 2.00689 0.005 . . . . . . 19 LYS QB . 7402 1 126 . 1 1 20 20 LYS H H 1 7.78301 0.005 . . . . . . 20 LYS HN . 7402 1 127 . 1 1 20 20 LYS HA H 1 4.03441 0.005 . . . . . . 20 LYS HA . 7402 1 128 . 1 1 20 20 LYS HB2 H 1 1.97608 0.00170 . . . . . . 20 LYS QB . 7402 1 129 . 1 1 20 20 LYS HB3 H 1 1.97608 0.00170 . . . . . . 20 LYS QB . 7402 1 130 . 1 1 20 20 LYS HG2 H 1 1.49037 0.005 . . . . . . 20 LYS HG2 . 7402 1 131 . 1 1 20 20 LYS HG3 H 1 1.57322 0.005 . . . . . . 20 LYS HG3 . 7402 1 132 . 1 1 21 21 LYS H H 1 8.15509 0.005 . . . . . . 21 LYS HN . 7402 1 133 . 1 1 21 21 LYS HA H 1 4.08679 0.005 . . . . . . 21 LYS HA . 7402 1 134 . 1 1 21 21 LYS HB2 H 1 1.98885 0.00041 . . . . . . 21 LYS QB . 7402 1 135 . 1 1 21 21 LYS HB3 H 1 1.98885 0.00041 . . . . . . 21 LYS QB . 7402 1 136 . 1 1 21 21 LYS HG2 H 1 1.63937 0.005 . . . . . . 21 LYS HG2 . 7402 1 137 . 1 1 21 21 LYS HG3 H 1 1.75637 0.005 . . . . . . 21 LYS HG3 . 7402 1 138 . 1 1 22 22 LEU H H 1 8.22880 0.005 . . . . . . 22 LEU HN . 7402 1 139 . 1 1 22 22 LEU HA H 1 4.29925 0.005 . . . . . . 22 LEU HA . 7402 1 140 . 1 1 22 22 LEU HB2 H 1 1.83686 0.005 . . . . . . 22 LEU QB . 7402 1 141 . 1 1 22 22 LEU HB3 H 1 1.83686 0.005 . . . . . . 22 LEU QB . 7402 1 142 . 1 1 22 22 LEU HD11 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 143 . 1 1 22 22 LEU HD12 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 144 . 1 1 22 22 LEU HD13 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 145 . 1 1 22 22 LEU HD21 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 146 . 1 1 22 22 LEU HD22 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 147 . 1 1 22 22 LEU HD23 H 1 0.93549 0.005 . . . . . . 22 LEU QQD . 7402 1 148 . 1 1 23 23 LYS H H 1 7.77833 0.005 . . . . . . 23 LYS HN . 7402 1 149 . 1 1 23 23 LYS HA H 1 4.22477 0.005 . . . . . . 23 LYS HA . 7402 1 150 . 1 1 23 23 LYS HB2 H 1 1.92605 0.06667 . . . . . . 23 LYS QB . 7402 1 151 . 1 1 23 23 LYS HB3 H 1 1.92605 0.06667 . . . . . . 23 LYS QB . 7402 1 152 . 1 1 24 24 GLY H H 1 8.25175 0.005 . . . . . . 24 GLY HN . 7402 1 153 . 1 1 24 24 GLY HA2 H 1 3.96861 0.005 . . . . . . 24 GLY HA1 . 7402 1 154 . 1 1 24 24 GLY HA3 H 1 4.17630 0.005 . . . . . . 24 GLY HA2 . 7402 1 155 . 1 1 25 25 GLU H H 1 8.08498 0.005 . . . . . . 25 GLU HN . 7402 1 156 . 1 1 25 25 GLU HA H 1 4.21497 0.005 . . . . . . 25 GLU HA . 7402 1 157 . 1 1 25 25 GLU HB2 H 1 1.96489 0.005 . . . . . . 25 GLU HB2 . 7402 1 158 . 1 1 25 25 GLU HB3 H 1 2.04833 0.005 . . . . . . 25 GLU HB3 . 7402 1 159 . 1 1 25 25 GLU HG2 H 1 2.34516 0.005 . . . . . . 25 GLU HG2 . 7402 1 160 . 1 1 25 25 GLU HG3 H 1 2.43861 0.005 . . . . . . 25 GLU HG3 . 7402 1 161 . 1 1 26 26 LYS H H 1 7.72587 0.005 . . . . . . 26 LYS HN . 7402 1 162 . 1 1 26 26 LYS HA H 1 4.15138 0.005 . . . . . . 26 LYS HA . 7402 1 stop_ save_