data_6264 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6264 _Entry.Title ; Solution structure of cryptdin-4, the most potent alpha-defensin from mouse Paneth cells ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-16 _Entry.Accession_date 2004-07-16 _Entry.Last_release_date 2005-02-08 _Entry.Original_release_date 2005-02-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 W. Jing . . . 6264 2 H. Hunter . N. . 6264 3 H. Tanabe . . . 6264 4 A. Ouellette . J. . 6264 5 H. Vogel . J. . 6264 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6264 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 233 6264 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 . . 2005-02-08 2004-07-16 original author . 6264 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6264 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15595831 _Citation.Full_citation . _Citation.Title 'Solution structure of cryptdin-4, a mouse paneth cell alpha-defensin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 50 _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 15759 _Citation.Page_last 15766 _Citation.Year 2004 _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 W. Jing . . . 6264 1 2 H. Hunter . N. . 6264 1 3 H. Tanabe . . . 6264 1 4 A. Ouellette . J. . 6264 1 5 H. Vogel . J. . 6264 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta hairpin' 6264 1 'beta sheet' 6264 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6264 _Assembly.ID 1 _Assembly.Name Cryptdin-4 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6264 1 stop_ 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 Cryptdin-4 1 $Cryptdin-4 . . . . . . . . . 6264 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 4 4 SG . 1 . 1 CYS 29 29 SG . . . . . . . . . . 6264 1 2 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 21 21 SG . . . . . . . . . . 6264 1 3 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 28 28 SG . . . . . . . . . . 6264 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1TV0 . . . . . . 6264 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Cryptdin-4 abbreviation 6264 1 Cryptdin-4 system 6264 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cryptdin-4 _Entity.Sf_category entity _Entity.Sf_framecode Cryptdin-4 _Entity.Entry_ID 6264 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cryptdin-4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GLLCYCRKGHCKRGERVRGT CGIRFLYCCPRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Cryptdin-4 abbreviation 6264 1 Cryptdin-4 common 6264 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6264 1 2 . LEU . 6264 1 3 . LEU . 6264 1 4 . CYS . 6264 1 5 . TYR . 6264 1 6 . CYS . 6264 1 7 . ARG . 6264 1 8 . LYS . 6264 1 9 . GLY . 6264 1 10 . HIS . 6264 1 11 . CYS . 6264 1 12 . LYS . 6264 1 13 . ARG . 6264 1 14 . GLY . 6264 1 15 . GLU . 6264 1 16 . ARG . 6264 1 17 . VAL . 6264 1 18 . ARG . 6264 1 19 . GLY . 6264 1 20 . THR . 6264 1 21 . CYS . 6264 1 22 . GLY . 6264 1 23 . ILE . 6264 1 24 . ARG . 6264 1 25 . PHE . 6264 1 26 . LEU . 6264 1 27 . TYR . 6264 1 28 . CYS . 6264 1 29 . CYS . 6264 1 30 . PRO . 6264 1 31 . ARG . 6264 1 32 . ARG . 6264 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6264 1 . LEU 2 2 6264 1 . LEU 3 3 6264 1 . CYS 4 4 6264 1 . TYR 5 5 6264 1 . CYS 6 6 6264 1 . ARG 7 7 6264 1 . LYS 8 8 6264 1 . GLY 9 9 6264 1 . HIS 10 10 6264 1 . CYS 11 11 6264 1 . LYS 12 12 6264 1 . ARG 13 13 6264 1 . GLY 14 14 6264 1 . GLU 15 15 6264 1 . ARG 16 16 6264 1 . VAL 17 17 6264 1 . ARG 18 18 6264 1 . GLY 19 19 6264 1 . THR 20 20 6264 1 . CYS 21 21 6264 1 . GLY 22 22 6264 1 . ILE 23 23 6264 1 . ARG 24 24 6264 1 . PHE 25 25 6264 1 . LEU 26 26 6264 1 . TYR 27 27 6264 1 . CYS 28 28 6264 1 . CYS 29 29 6264 1 . PRO 30 30 6264 1 . ARG 31 31 6264 1 . ARG 32 32 6264 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 6264 _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 $Cryptdin-4 . 10090 . . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6264 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 6264 _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 $Cryptdin-4 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET-28A . . . . . . 6264 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6264 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Cryptdin-4 . . . 1 $Cryptdin-4 . . 3.2 . . mg . . . . 6264 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6264 _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 4.2 . n/a 6264 1 temperature 303 . K 6264 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 6264 _Software.ID 1 _Software.Name NMRView _Software.Version 4.1.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6264 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6264 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6264 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 6264 _Software.ID 3 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6264 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6264 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Advance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6264 _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 NMR_spectrometer Bruker Advance . 700 . . . 6264 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 6264 _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 TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6264 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6264 1 3 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6264 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6264 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6264 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6264 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6264 _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 . . . . . . ppm . . . . . . . . . . . . . 6264 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6264 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6264 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA3 H 1 3.848 . . 1 . . . . . . . . 6264 1 2 . 1 1 1 1 GLY HA2 H 1 3.848 . . 1 . . . . . . . . 6264 1 3 . 1 1 2 2 LEU H H 1 8.513 . . 1 . . . . . . . . 6264 1 4 . 1 1 2 2 LEU HA H 1 4.360 . . 1 . . . . . . . . 6264 1 5 . 1 1 2 2 LEU HB3 H 1 1.578 . . 1 . . . . . . . . 6264 1 6 . 1 1 2 2 LEU HB2 H 1 1.578 . . 1 . . . . . . . . 6264 1 7 . 1 1 2 2 LEU HG H 1 1.578 . . 1 . . . . . . . . 6264 1 8 . 1 1 2 2 LEU HD11 H 1 0.901 . . 1 . . . . . . . . 6264 1 9 . 1 1 2 2 LEU HD12 H 1 0.901 . . 1 . . . . . . . . 6264 1 10 . 1 1 2 2 LEU HD13 H 1 0.901 . . 1 . . . . . . . . 6264 1 11 . 1 1 2 2 LEU HD21 H 1 0.901 . . 1 . . . . . . . . 6264 1 12 . 1 1 2 2 LEU HD22 H 1 0.901 . . 1 . . . . . . . . 6264 1 13 . 1 1 2 2 LEU HD23 H 1 0.901 . . 1 . . . . . . . . 6264 1 14 . 1 1 3 3 LEU H H 1 8.256 . . 1 . . . . . . . . 6264 1 15 . 1 1 3 3 LEU HA H 1 4.272 . . 1 . . . . . . . . 6264 1 16 . 1 1 3 3 LEU HB3 H 1 1.485 . . 1 . . . . . . . . 6264 1 17 . 1 1 3 3 LEU HB2 H 1 1.485 . . 1 . . . . . . . . 6264 1 18 . 1 1 3 3 LEU HG H 1 1.485 . . 1 . . . . . . . . 6264 1 19 . 1 1 3 3 LEU HD11 H 1 0.854 . . 1 . . . . . . . . 6264 1 20 . 1 1 3 3 LEU HD12 H 1 0.854 . . 1 . . . . . . . . 6264 1 21 . 1 1 3 3 LEU HD13 H 1 0.854 . . 1 . . . . . . . . 6264 1 22 . 1 1 3 3 LEU HD21 H 1 0.854 . . 1 . . . . . . . . 6264 1 23 . 1 1 3 3 LEU HD22 H 1 0.854 . . 1 . . . . . . . . 6264 1 24 . 1 1 3 3 LEU HD23 H 1 0.854 . . 1 . . . . . . . . 6264 1 25 . 1 1 4 4 CYS H H 1 7.609 . . 1 . . . . . . . . 6264 1 26 . 1 1 4 4 CYS HA H 1 5.017 . . 1 . . . . . . . . 6264 1 27 . 1 1 4 4 CYS HB3 H 1 2.726 . . 2 . . . . . . . . 6264 1 28 . 1 1 4 4 CYS HB2 H 1 1.669 . . 2 . . . . . . . . 6264 1 29 . 1 1 4 4 CYS HG H 1 10.600 . . 1 . . . . . . . . 6264 1 30 . 1 1 5 5 TYR H H 1 8.792 . . 1 . . . . . . . . 6264 1 31 . 1 1 5 5 TYR HA H 1 4.589 . . 1 . . . . . . . . 6264 1 32 . 1 1 5 5 TYR HB3 H 1 2.396 . . 2 . . . . . . . . 6264 1 33 . 1 1 5 5 TYR HB2 H 1 2.935 . . 2 . . . . . . . . 6264 1 34 . 1 1 5 5 TYR HD1 H 1 7.029 . . 1 . . . . . . . . 6264 1 35 . 1 1 5 5 TYR HE1 H 1 6.711 . . 1 . . . . . . . . 6264 1 36 . 1 1 5 5 TYR HE2 H 1 6.711 . . 1 . . . . . . . . 6264 1 37 . 1 1 5 5 TYR HD2 H 1 7.029 . . 1 . . . . . . . . 6264 1 38 . 1 1 6 6 CYS H H 1 9.142 . . 1 . . . . . . . . 6264 1 39 . 1 1 6 6 CYS HA H 1 5.638 . . 1 . . . . . . . . 6264 1 40 . 1 1 6 6 CYS HB3 H 1 2.935 . . 2 . . . . . . . . 6264 1 41 . 1 1 6 6 CYS HB2 H 1 3.054 . . 2 . . . . . . . . 6264 1 42 . 1 1 6 6 CYS HG H 1 10.700 . . 1 . . . . . . . . 6264 1 43 . 1 1 7 7 ARG H H 1 9.901 . . 1 . . . . . . . . 6264 1 44 . 1 1 7 7 ARG HA H 1 4.832 . . 1 . . . . . . . . 6264 1 45 . 1 1 7 7 ARG HB3 H 1 1.742 . . 2 . . . . . . . . 6264 1 46 . 1 1 7 7 ARG HB2 H 1 1.648 . . 2 . . . . . . . . 6264 1 47 . 1 1 7 7 ARG HG3 H 1 1.415 . . 1 . . . . . . . . 6264 1 48 . 1 1 7 7 ARG HG2 H 1 1.415 . . 1 . . . . . . . . 6264 1 49 . 1 1 7 7 ARG HD3 H 1 3.222 . . 1 . . . . . . . . 6264 1 50 . 1 1 7 7 ARG HD2 H 1 3.222 . . 1 . . . . . . . . 6264 1 51 . 1 1 7 7 ARG HE H 1 9.619 . . 1 . . . . . . . . 6264 1 52 . 1 1 7 7 ARG HH21 H 1 6.561 . . 1 . . . . . . . . 6264 1 53 . 1 1 7 7 ARG HH22 H 1 6.561 . . 1 . . . . . . . . 6264 1 54 . 1 1 7 7 ARG HH11 H 1 6.561 . . 1 . . . . . . . . 6264 1 55 . 1 1 7 7 ARG HH12 H 1 6.561 . . 1 . . . . . . . . 6264 1 56 . 1 1 8 8 LYS H H 1 8.679 . . 1 . . . . . . . . 6264 1 57 . 1 1 8 8 LYS HA H 1 3.756 . . 1 . . . . . . . . 6264 1 58 . 1 1 8 8 LYS HB3 H 1 1.556 . . 1 . . . . . . . . 6264 1 59 . 1 1 8 8 LYS HB2 H 1 1.556 . . 1 . . . . . . . . 6264 1 60 . 1 1 8 8 LYS HG3 H 1 0.982 . . 1 . . . . . . . . 6264 1 61 . 1 1 8 8 LYS HG2 H 1 0.982 . . 1 . . . . . . . . 6264 1 62 . 1 1 8 8 LYS HD3 H 1 1.252 . . 1 . . . . . . . . 6264 1 63 . 1 1 8 8 LYS HD2 H 1 1.252 . . 1 . . . . . . . . 6264 1 64 . 1 1 8 8 LYS HE3 H 1 2.851 . . 1 . . . . . . . . 6264 1 65 . 1 1 8 8 LYS HE2 H 1 2.851 . . 1 . . . . . . . . 6264 1 66 . 1 1 8 8 LYS HZ1 H 1 7.527 . . 1 . . . . . . . . 6264 1 67 . 1 1 8 8 LYS HZ2 H 1 7.527 . . 1 . . . . . . . . 6264 1 68 . 1 1 8 8 LYS HZ3 H 1 7.527 . . 1 . . . . . . . . 6264 1 69 . 1 1 9 9 GLY H H 1 8.831 . . 1 . . . . . . . . 6264 1 70 . 1 1 9 9 GLY HA3 H 1 4.243 . . 2 . . . . . . . . 6264 1 71 . 1 1 9 9 GLY HA2 H 1 3.381 . . 2 . . . . . . . . 6264 1 72 . 1 1 10 10 HIS H H 1 8.073 . . 1 . . . . . . . . 6264 1 73 . 1 1 10 10 HIS HA H 1 4.637 . . 1 . . . . . . . . 6264 1 74 . 1 1 10 10 HIS HB3 H 1 3.120 . . 2 . . . . . . . . 6264 1 75 . 1 1 10 10 HIS HB2 H 1 3.379 . . 2 . . . . . . . . 6264 1 76 . 1 1 10 10 HIS HD2 H 1 7.288 . . 1 . . . . . . . . 6264 1 77 . 1 1 10 10 HIS HE1 H 1 8.586 . . 1 . . . . . . . . 6264 1 78 . 1 1 11 11 CYS H H 1 8.882 . . 1 . . . . . . . . 6264 1 79 . 1 1 11 11 CYS HA H 1 5.018 . . 1 . . . . . . . . 6264 1 80 . 1 1 11 11 CYS HB3 H 1 3.728 . . 2 . . . . . . . . 6264 1 81 . 1 1 11 11 CYS HB2 H 1 2.654 . . 2 . . . . . . . . 6264 1 82 . 1 1 12 12 LYS H H 1 8.585 . . 1 . . . . . . . . 6264 1 83 . 1 1 12 12 LYS HA H 1 4.384 . . 1 . . . . . . . . 6264 1 84 . 1 1 12 12 LYS HB3 H 1 1.897 . . 1 . . . . . . . . 6264 1 85 . 1 1 12 12 LYS HB2 H 1 1.897 . . 1 . . . . . . . . 6264 1 86 . 1 1 12 12 LYS HG3 H 1 1.342 . . 1 . . . . . . . . 6264 1 87 . 1 1 12 12 LYS HG2 H 1 1.342 . . 1 . . . . . . . . 6264 1 88 . 1 1 12 12 LYS HD3 H 1 1.555 . . 1 . . . . . . . . 6264 1 89 . 1 1 12 12 LYS HD2 H 1 1.555 . . 1 . . . . . . . . 6264 1 90 . 1 1 12 12 LYS HE3 H 1 2.855 . . 1 . . . . . . . . 6264 1 91 . 1 1 12 12 LYS HE2 H 1 2.855 . . 1 . . . . . . . . 6264 1 92 . 1 1 13 13 ARG H H 1 8.510 . . 1 . . . . . . . . 6264 1 93 . 1 1 13 13 ARG HA H 1 4.083 . . 1 . . . . . . . . 6264 1 94 . 1 1 13 13 ARG HB3 H 1 1.837 . . 2 . . . . . . . . 6264 1 95 . 1 1 13 13 ARG HB2 H 1 1.743 . . 2 . . . . . . . . 6264 1 96 . 1 1 13 13 ARG HG3 H 1 1.579 . . 1 . . . . . . . . 6264 1 97 . 1 1 13 13 ARG HG2 H 1 1.579 . . 1 . . . . . . . . 6264 1 98 . 1 1 13 13 ARG HD3 H 1 3.218 . . 1 . . . . . . . . 6264 1 99 . 1 1 13 13 ARG HD2 H 1 3.218 . . 1 . . . . . . . . 6264 1 100 . 1 1 13 13 ARG HE H 1 7.183 . . 1 . . . . . . . . 6264 1 101 . 1 1 14 14 GLY H H 1 8.914 . . 1 . . . . . . . . 6264 1 102 . 1 1 14 14 GLY HA3 H 1 4.201 . . 2 . . . . . . . . 6264 1 103 . 1 1 14 14 GLY HA2 H 1 3.799 . . 2 . . . . . . . . 6264 1 104 . 1 1 15 15 GLU H H 1 7.812 . . 1 . . . . . . . . 6264 1 105 . 1 1 15 15 GLU HA H 1 4.772 . . 1 . . . . . . . . 6264 1 106 . 1 1 15 15 GLU HB3 H 1 1.599 . . 2 . . . . . . . . 6264 1 107 . 1 1 15 15 GLU HB2 H 1 1.859 . . 2 . . . . . . . . 6264 1 108 . 1 1 15 15 GLU HG3 H 1 2.057 . . 2 . . . . . . . . 6264 1 109 . 1 1 15 15 GLU HG2 H 1 2.445 . . 2 . . . . . . . . 6264 1 110 . 1 1 16 16 ARG H H 1 9.108 . . 1 . . . . . . . . 6264 1 111 . 1 1 16 16 ARG HA H 1 4.727 . . 1 . . . . . . . . 6264 1 112 . 1 1 16 16 ARG HB3 H 1 1.718 . . 1 . . . . . . . . 6264 1 113 . 1 1 16 16 ARG HB2 H 1 1.718 . . 1 . . . . . . . . 6264 1 114 . 1 1 16 16 ARG HG3 H 1 1.544 . . 1 . . . . . . . . 6264 1 115 . 1 1 16 16 ARG HG2 H 1 1.544 . . 1 . . . . . . . . 6264 1 116 . 1 1 16 16 ARG HD3 H 1 3.191 . . 1 . . . . . . . . 6264 1 117 . 1 1 16 16 ARG HD2 H 1 3.191 . . 1 . . . . . . . . 6264 1 118 . 1 1 16 16 ARG HE H 1 7.208 . . 1 . . . . . . . . 6264 1 119 . 1 1 17 17 VAL H H 1 8.734 . . 1 . . . . . . . . 6264 1 120 . 1 1 17 17 VAL HA H 1 4.291 . . 1 . . . . . . . . 6264 1 121 . 1 1 17 17 VAL HB H 1 2.163 . . 1 . . . . . . . . 6264 1 122 . 1 1 17 17 VAL HG21 H 1 1.134 . . 2 . . . . . . . . 6264 1 123 . 1 1 17 17 VAL HG22 H 1 1.134 . . 2 . . . . . . . . 6264 1 124 . 1 1 17 17 VAL HG23 H 1 1.134 . . 2 . . . . . . . . 6264 1 125 . 1 1 17 17 VAL HG11 H 1 1.205 . . 2 . . . . . . . . 6264 1 126 . 1 1 17 17 VAL HG12 H 1 1.205 . . 2 . . . . . . . . 6264 1 127 . 1 1 17 17 VAL HG13 H 1 1.205 . . 2 . . . . . . . . 6264 1 128 . 1 1 18 18 ARG H H 1 9.498 . . 1 . . . . . . . . 6264 1 129 . 1 1 18 18 ARG HA H 1 4.758 . . 1 . . . . . . . . 6264 1 130 . 1 1 18 18 ARG HB3 H 1 2.199 . . 1 . . . . . . . . 6264 1 131 . 1 1 18 18 ARG HB2 H 1 2.199 . . 1 . . . . . . . . 6264 1 132 . 1 1 18 18 ARG HG3 H 1 1.694 . . 2 . . . . . . . . 6264 1 133 . 1 1 18 18 ARG HG2 H 1 1.621 . . 2 . . . . . . . . 6264 1 134 . 1 1 18 18 ARG HD3 H 1 3.239 . . 1 . . . . . . . . 6264 1 135 . 1 1 18 18 ARG HD2 H 1 3.239 . . 1 . . . . . . . . 6264 1 136 . 1 1 18 18 ARG HE H 1 7.282 . . 1 . . . . . . . . 6264 1 137 . 1 1 19 19 GLY H H 1 7.759 . . 1 . . . . . . . . 6264 1 138 . 1 1 19 19 GLY HA3 H 1 4.524 . . 2 . . . . . . . . 6264 1 139 . 1 1 19 19 GLY HA2 H 1 4.082 . . 2 . . . . . . . . 6264 1 140 . 1 1 20 20 THR H H 1 8.573 . . 1 . . . . . . . . 6264 1 141 . 1 1 20 20 THR HA H 1 5.087 . . 1 . . . . . . . . 6264 1 142 . 1 1 20 20 THR HB H 1 4.466 . . 1 . . . . . . . . 6264 1 143 . 1 1 20 20 THR HG21 H 1 1.228 . . 1 . . . . . . . . 6264 1 144 . 1 1 20 20 THR HG22 H 1 1.228 . . 1 . . . . . . . . 6264 1 145 . 1 1 20 20 THR HG23 H 1 1.228 . . 1 . . . . . . . . 6264 1 146 . 1 1 21 21 CYS H H 1 8.100 . . 1 . . . . . . . . 6264 1 147 . 1 1 21 21 CYS HA H 1 4.901 . . 1 . . . . . . . . 6264 1 148 . 1 1 21 21 CYS HB3 H 1 3.217 . . 2 . . . . . . . . 6264 1 149 . 1 1 21 21 CYS HB2 H 1 3.309 . . 2 . . . . . . . . 6264 1 150 . 1 1 22 22 GLY H H 1 8.306 . . 1 . . . . . . . . 6264 1 151 . 1 1 22 22 GLY HA3 H 1 3.989 . . 2 . . . . . . . . 6264 1 152 . 1 1 22 22 GLY HA2 H 1 3.778 . . 2 . . . . . . . . 6264 1 153 . 1 1 23 23 ILE H H 1 8.276 . . 1 . . . . . . . . 6264 1 154 . 1 1 23 23 ILE HA H 1 4.058 . . 1 . . . . . . . . 6264 1 155 . 1 1 23 23 ILE HB H 1 1.881 . . 1 . . . . . . . . 6264 1 156 . 1 1 23 23 ILE HG13 H 1 1.484 . . 1 . . . . . . . . 6264 1 157 . 1 1 23 23 ILE HG12 H 1 1.181 . . 1 . . . . . . . . 6264 1 158 . 1 1 23 23 ILE HD11 H 1 0.922 . . 1 . . . . . . . . 6264 1 159 . 1 1 23 23 ILE HD12 H 1 0.922 . . 1 . . . . . . . . 6264 1 160 . 1 1 23 23 ILE HD13 H 1 0.922 . . 1 . . . . . . . . 6264 1 161 . 1 1 23 23 ILE HG21 H 1 0.861 . . 1 . . . . . . . . 6264 1 162 . 1 1 23 23 ILE HG22 H 1 0.861 . . 1 . . . . . . . . 6264 1 163 . 1 1 23 23 ILE HG23 H 1 0.861 . . 1 . . . . . . . . 6264 1 164 . 1 1 24 24 ARG H H 1 8.483 . . 1 . . . . . . . . 6264 1 165 . 1 1 24 24 ARG HA H 1 4.015 . . 1 . . . . . . . . 6264 1 166 . 1 1 24 24 ARG HB3 H 1 1.859 . . 1 . . . . . . . . 6264 1 167 . 1 1 24 24 ARG HB2 H 1 1.859 . . 1 . . . . . . . . 6264 1 168 . 1 1 24 24 ARG HG3 H 1 1.526 . . 1 . . . . . . . . 6264 1 169 . 1 1 24 24 ARG HG2 H 1 1.526 . . 1 . . . . . . . . 6264 1 170 . 1 1 24 24 ARG HD3 H 1 3.116 . . 1 . . . . . . . . 6264 1 171 . 1 1 24 24 ARG HD2 H 1 3.116 . . 1 . . . . . . . . 6264 1 172 . 1 1 24 24 ARG HE H 1 7.211 . . 1 . . . . . . . . 6264 1 173 . 1 1 25 25 PHE H H 1 7.804 . . 1 . . . . . . . . 6264 1 174 . 1 1 25 25 PHE HA H 1 5.098 . . 1 . . . . . . . . 6264 1 175 . 1 1 25 25 PHE HB3 H 1 2.847 . . 2 . . . . . . . . 6264 1 176 . 1 1 25 25 PHE HB2 H 1 3.029 . . 2 . . . . . . . . 6264 1 177 . 1 1 25 25 PHE HD1 H 1 7.128 . . 1 . . . . . . . . 6264 1 178 . 1 1 25 25 PHE HE1 H 1 7.349 . . 1 . . . . . . . . 6264 1 179 . 1 1 25 25 PHE HZ H 1 7.247 . . 1 . . . . . . . . 6264 1 180 . 1 1 25 25 PHE HE2 H 1 7.349 . . 1 . . . . . . . . 6264 1 181 . 1 1 25 25 PHE HD2 H 1 7.128 . . 1 . . . . . . . . 6264 1 182 . 1 1 26 26 LEU H H 1 9.336 . . 1 . . . . . . . . 6264 1 183 . 1 1 26 26 LEU HA H 1 4.733 . . 1 . . . . . . . . 6264 1 184 . 1 1 26 26 LEU HB3 H 1 1.645 . . 1 . . . . . . . . 6264 1 185 . 1 1 26 26 LEU HB2 H 1 1.645 . . 1 . . . . . . . . 6264 1 186 . 1 1 26 26 LEU HG H 1 1.391 . . 1 . . . . . . . . 6264 1 187 . 1 1 26 26 LEU HD11 H 1 0.806 . . 2 . . . . . . . . 6264 1 188 . 1 1 26 26 LEU HD12 H 1 0.806 . . 2 . . . . . . . . 6264 1 189 . 1 1 26 26 LEU HD13 H 1 0.806 . . 2 . . . . . . . . 6264 1 190 . 1 1 26 26 LEU HD21 H 1 0.853 . . 2 . . . . . . . . 6264 1 191 . 1 1 26 26 LEU HD22 H 1 0.853 . . 2 . . . . . . . . 6264 1 192 . 1 1 26 26 LEU HD23 H 1 0.853 . . 2 . . . . . . . . 6264 1 193 . 1 1 27 27 TYR H H 1 8.412 . . 1 . . . . . . . . 6264 1 194 . 1 1 27 27 TYR HA H 1 4.995 . . 1 . . . . . . . . 6264 1 195 . 1 1 27 27 TYR HB3 H 1 2.749 . . 2 . . . . . . . . 6264 1 196 . 1 1 27 27 TYR HB2 H 1 2.257 . . 2 . . . . . . . . 6264 1 197 . 1 1 27 27 TYR HD1 H 1 6.900 . . 1 . . . . . . . . 6264 1 198 . 1 1 27 27 TYR HE1 H 1 6.664 . . 1 . . . . . . . . 6264 1 199 . 1 1 27 27 TYR HE2 H 1 6.664 . . 1 . . . . . . . . 6264 1 200 . 1 1 27 27 TYR HD2 H 1 6.900 . . 1 . . . . . . . . 6264 1 201 . 1 1 28 28 CYS H H 1 9.013 . . 1 . . . . . . . . 6264 1 202 . 1 1 28 28 CYS HA H 1 5.090 . . 1 . . . . . . . . 6264 1 203 . 1 1 28 28 CYS HB3 H 1 2.933 . . 2 . . . . . . . . 6264 1 204 . 1 1 28 28 CYS HB2 H 1 3.192 . . 2 . . . . . . . . 6264 1 205 . 1 1 29 29 CYS H H 1 9.089 . . 1 . . . . . . . . 6264 1 206 . 1 1 29 29 CYS HA H 1 5.323 . . 1 . . . . . . . . 6264 1 207 . 1 1 29 29 CYS HB3 H 1 3.098 . . 2 . . . . . . . . 6264 1 208 . 1 1 29 29 CYS HB2 H 1 2.486 . . 2 . . . . . . . . 6264 1 209 . 1 1 30 30 PRO HA H 1 4.646 . . 1 . . . . . . . . 6264 1 210 . 1 1 30 30 PRO HB3 H 1 2.491 . . 2 . . . . . . . . 6264 1 211 . 1 1 30 30 PRO HB2 H 1 2.037 . . 2 . . . . . . . . 6264 1 212 . 1 1 30 30 PRO HG3 H 1 2.166 . . 2 . . . . . . . . 6264 1 213 . 1 1 30 30 PRO HG2 H 1 2.257 . . 2 . . . . . . . . 6264 1 214 . 1 1 30 30 PRO HD3 H 1 3.988 . . 2 . . . . . . . . 6264 1 215 . 1 1 30 30 PRO HD2 H 1 3.738 . . 2 . . . . . . . . 6264 1 216 . 1 1 31 31 ARG H H 1 8.446 . . 1 . . . . . . . . 6264 1 217 . 1 1 31 31 ARG HA H 1 4.124 . . 1 . . . . . . . . 6264 1 218 . 1 1 31 31 ARG HB3 H 1 1.810 . . 2 . . . . . . . . 6264 1 219 . 1 1 31 31 ARG HB2 H 1 1.696 . . 2 . . . . . . . . 6264 1 220 . 1 1 31 31 ARG HG3 H 1 1.578 . . 1 . . . . . . . . 6264 1 221 . 1 1 31 31 ARG HG2 H 1 1.578 . . 1 . . . . . . . . 6264 1 222 . 1 1 31 31 ARG HD3 H 1 3.169 . . 1 . . . . . . . . 6264 1 223 . 1 1 31 31 ARG HD2 H 1 3.169 . . 1 . . . . . . . . 6264 1 224 . 1 1 31 31 ARG HE H 1 7.213 . . 1 . . . . . . . . 6264 1 225 . 1 1 32 32 ARG H H 1 7.893 . . 1 . . . . . . . . 6264 1 226 . 1 1 32 32 ARG HA H 1 4.175 . . 1 . . . . . . . . 6264 1 227 . 1 1 32 32 ARG HB3 H 1 1.829 . . 2 . . . . . . . . 6264 1 228 . 1 1 32 32 ARG HB2 H 1 1.717 . . 2 . . . . . . . . 6264 1 229 . 1 1 32 32 ARG HG3 H 1 1.578 . . 1 . . . . . . . . 6264 1 230 . 1 1 32 32 ARG HG2 H 1 1.578 . . 1 . . . . . . . . 6264 1 231 . 1 1 32 32 ARG HD3 H 1 3.173 . . 1 . . . . . . . . 6264 1 232 . 1 1 32 32 ARG HD2 H 1 3.173 . . 1 . . . . . . . . 6264 1 233 . 1 1 32 32 ARG HE H 1 7.213 . . 1 . . . . . . . . 6264 1 stop_ save_