data_6437 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6437 _Entry.Title ; Structural origin of endotoxin neutralization and antimicrobial activity of a lactoferrin-based peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-17 _Entry.Accession_date 2004-12-20 _Entry.Last_release_date 2005-11-14 _Entry.Original_release_date 2005-11-14 _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 Bostjan Japelj . . . 6437 2 Primoz Pristovsek . . . 6437 3 Andreja Majerle . . . 6437 4 Roman Jerala . . . 6437 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 6437 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 299 6437 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 . . 2005-11-14 2004-12-17 original author . 6437 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GMC 'BMRB Entry Tracking System' 6437 PDB 2GMD 'BMRB Entry Tracking System' 6437 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6437 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15687491 _Citation.Full_citation . _Citation.Title 'Structural Origin of Endotoxin Neutralization and Antimicrobial Activity of a Lactoferrin-based Peptide.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 17 _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 16955 _Citation.Page_last 16961 _Citation.Year 2005 _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 Bostjan Japelj . T. . 6437 1 2 Primoz Pristovsek . . . 6437 1 3 Andreja Majerle . . . 6437 1 4 Roman Jerala . . . 6437 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_lf11 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_lf11 _Assembly.Entry_ID 6437 _Assembly.ID 1 _Assembly.Name 'lf11 peptide' _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 'not present' _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 6437 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 'lf11 peptide' 1 $lf11 . . . native . . . . . 6437 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID lf11 abbreviation 6437 1 'lf11 peptide' system 6437 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_lf11 _Entity.Sf_category entity _Entity.Sf_framecode lf11 _Entity.Entry_ID 6437 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'lf11 peptide' _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 FQWQRNIRKVR _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 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2005-11-24 _Entity.DB_query_revised_last_date 2005-11-15 loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID lf11 abbreviation 6437 1 'lf11 peptide' common 6437 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 . PHE . 6437 1 2 . GLN . 6437 1 3 . TRP . 6437 1 4 . GLN . 6437 1 5 . ARG . 6437 1 6 . ASN . 6437 1 7 . ILE . 6437 1 8 . ARG . 6437 1 9 . LYS . 6437 1 10 . VAL . 6437 1 11 . ARG . 6437 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 . PHE 1 1 6437 1 . GLN 2 2 6437 1 . TRP 3 3 6437 1 . GLN 4 4 6437 1 . ARG 5 5 6437 1 . ASN 6 6 6437 1 . ILE 7 7 6437 1 . ARG 8 8 6437 1 . LYS 9 9 6437 1 . VAL 10 10 6437 1 . ARG 11 11 6437 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 6437 _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 $lf11 . Human . . 'Homo sapiens' 9606 . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6437 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 6437 _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 $lf11 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6437 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6437 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'LPS (Lipopolysaccharide) of Escherichia coli,serotype 055:B5.' _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 'lf11 peptide' . . . 1 $lf11 . . 2 . . mM . . . . 6437 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6437 1 3 D2O . . . . . . . 8 . . % . . . . 6437 1 4 LPS . . . . . . . 1 . . mg/mL . . . . 6437 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6437 _Sample.ID 2 _Sample.Type b_micelles _Sample.Sub_type . _Sample.Details 'SDS-d25 (fully deuterated sodium dodecyl sulphate)' _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 'lf11 peptide' . . . 1 $lf11 . . 2 . . mM . . . . 6437 2 2 SDS-d25 . . . . . . . 200 . . mM . . . . 6437 2 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6437 2 4 D2O . . . . . . . 8 . . % . . . . 6437 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6437 _Sample.ID 3 _Sample.Type c_micelles _Sample.Sub_type . _Sample.Details 'DPC-d38 (fully deuterated dodecylphosphocholine)' _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 'lf11 peptide' . . . 1 $lf11 . . 2 . . mM . . . . 6437 3 2 DPC-d38 . . . . . . . 240 . . mM . . . . 6437 3 3 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6437 3 4 D2O . . . . . . . 8 . . % . . . . 6437 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions _Sample_condition_list.Entry_ID 6437 _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 5.5 0.1 pH 6437 1 temperature 303 0.05 K 6437 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6437 _Software.ID 1 _Software.Name FELIX _Software.Version 97 _Software.Details . 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 6437 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6437 _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 Varian Inova . 600 . . . 6437 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 6437 _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 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6437 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6437 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 6437 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6437 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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_ #################### # 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 6437 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6437 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_csr_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode csr_1 _Assigned_chem_shift_list.Entry_ID 6437 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _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 . 6437 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 PHE HA H 1 4.14 0.01 . 1 . . . . . . . . 6437 1 2 . 1 1 1 1 PHE HB2 H 1 2.92 0.01 . 1 . . . . . . . . 6437 1 3 . 1 1 1 1 PHE HB3 H 1 2.92 0.01 . 1 . . . . . . . . 6437 1 4 . 1 1 1 1 PHE HD1 H 1 7.04 0.01 . 1 . . . . . . . . 6437 1 5 . 1 1 1 1 PHE HD2 H 1 7.04 0.01 . 1 . . . . . . . . 6437 1 6 . 1 1 1 1 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 6437 1 7 . 1 1 1 1 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 6437 1 8 . 1 1 1 1 PHE HZ H 1 7.20 0.01 . 1 . . . . . . . . 6437 1 9 . 1 1 2 2 GLN H H 1 8.43 0.01 . 1 . . . . . . . . 6437 1 10 . 1 1 2 2 GLN HA H 1 4.30 0.01 . 1 . . . . . . . . 6437 1 11 . 1 1 2 2 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6437 1 12 . 1 1 2 2 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6437 1 13 . 1 1 2 2 GLN HG2 H 1 2.21 0.01 . 1 . . . . . . . . 6437 1 14 . 1 1 2 2 GLN HG3 H 1 2.21 0.01 . 1 . . . . . . . . 6437 1 15 . 1 1 2 2 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 6437 1 16 . 1 1 2 2 GLN HE22 H 1 7.45 0.01 . 2 . . . . . . . . 6437 1 17 . 1 1 3 3 TRP H H 1 8.14 0.01 . 1 . . . . . . . . 6437 1 18 . 1 1 3 3 TRP HA H 1 4.55 0.01 . 1 . . . . . . . . 6437 1 19 . 1 1 3 3 TRP HB2 H 1 3.25 0.01 . 1 . . . . . . . . 6437 1 20 . 1 1 3 3 TRP HB3 H 1 3.25 0.01 . 1 . . . . . . . . 6437 1 21 . 1 1 3 3 TRP HD1 H 1 7.29 0.01 . 1 . . . . . . . . 6437 1 22 . 1 1 3 3 TRP HE1 H 1 10.13 0.01 . 1 . . . . . . . . 6437 1 23 . 1 1 3 3 TRP HE3 H 1 7.61 0.01 . 1 . . . . . . . . 6437 1 24 . 1 1 3 3 TRP HZ2 H 1 7.40 0.01 . 1 . . . . . . . . 6437 1 25 . 1 1 3 3 TRP HZ3 H 1 7.14 0.01 . 1 . . . . . . . . 6437 1 26 . 1 1 3 3 TRP HH2 H 1 7.17 0.01 . 1 . . . . . . . . 6437 1 27 . 1 1 4 4 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 6437 1 28 . 1 1 4 4 GLN HA H 1 4.19 0.01 . 1 . . . . . . . . 6437 1 29 . 1 1 4 4 GLN HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6437 1 30 . 1 1 4 4 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6437 1 31 . 1 1 4 4 GLN HG2 H 1 2.19 0.01 . 2 . . . . . . . . 6437 1 32 . 1 1 4 4 GLN HG3 H 1 2.05 0.01 . 2 . . . . . . . . 6437 1 33 . 1 1 4 4 GLN HE21 H 1 7.42 0.01 . 2 . . . . . . . . 6437 1 34 . 1 1 4 4 GLN HE22 H 1 6.81 0.01 . 2 . . . . . . . . 6437 1 35 . 1 1 5 5 ARG H H 1 8.19 0.01 . 1 . . . . . . . . 6437 1 36 . 1 1 5 5 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 6437 1 37 . 1 1 5 5 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6437 1 38 . 1 1 5 5 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 6437 1 39 . 1 1 5 5 ARG HG2 H 1 1.57 0.01 . 2 . . . . . . . . 6437 1 40 . 1 1 5 5 ARG HG3 H 1 1.52 0.01 . 2 . . . . . . . . 6437 1 41 . 1 1 5 5 ARG HD2 H 1 3.13 0.01 . 1 . . . . . . . . 6437 1 42 . 1 1 5 5 ARG HD3 H 1 3.13 0.01 . 1 . . . . . . . . 6437 1 43 . 1 1 5 5 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 6437 1 44 . 1 1 6 6 ASN H H 1 8.43 0.01 . 1 . . . . . . . . 6437 1 45 . 1 1 6 6 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 6437 1 46 . 1 1 6 6 ASN HB2 H 1 2.80 0.01 . 2 . . . . . . . . 6437 1 47 . 1 1 6 6 ASN HB3 H 1 2.70 0.01 . 2 . . . . . . . . 6437 1 48 . 1 1 6 6 ASN HD21 H 1 7.57 0.01 . 2 . . . . . . . . 6437 1 49 . 1 1 6 6 ASN HD22 H 1 6.87 0.01 . 2 . . . . . . . . 6437 1 50 . 1 1 7 7 ILE H H 1 8.03 0.01 . 1 . . . . . . . . 6437 1 51 . 1 1 7 7 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 6437 1 52 . 1 1 7 7 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 6437 1 53 . 1 1 7 7 ILE HG12 H 1 1.39 0.01 . 2 . . . . . . . . 6437 1 54 . 1 1 7 7 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 6437 1 55 . 1 1 7 7 ILE HG21 H 1 0.86 0.01 . 1 . . . . . . . . 6437 1 56 . 1 1 7 7 ILE HG22 H 1 0.86 0.01 . 1 . . . . . . . . 6437 1 57 . 1 1 7 7 ILE HG23 H 1 0.86 0.01 . 1 . . . . . . . . 6437 1 58 . 1 1 7 7 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 6437 1 59 . 1 1 7 7 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 6437 1 60 . 1 1 7 7 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 6437 1 61 . 1 1 8 8 ARG H H 1 8.32 0.01 . 1 . . . . . . . . 6437 1 62 . 1 1 8 8 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 6437 1 63 . 1 1 8 8 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6437 1 64 . 1 1 8 8 ARG HB3 H 1 1.71 0.01 . 2 . . . . . . . . 6437 1 65 . 1 1 8 8 ARG HG2 H 1 1.61 0.01 . 2 . . . . . . . . 6437 1 66 . 1 1 8 8 ARG HG3 H 1 1.53 0.01 . 2 . . . . . . . . 6437 1 67 . 1 1 8 8 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 6437 1 68 . 1 1 8 8 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 6437 1 69 . 1 1 8 8 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 6437 1 70 . 1 1 9 9 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 6437 1 71 . 1 1 9 9 LYS HA H 1 4.29 0.01 . 1 . . . . . . . . 6437 1 72 . 1 1 9 9 LYS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6437 1 73 . 1 1 9 9 LYS HB3 H 1 1.66 0.01 . 2 . . . . . . . . 6437 1 74 . 1 1 9 9 LYS HG2 H 1 1.40 0.01 . 2 . . . . . . . . 6437 1 75 . 1 1 9 9 LYS HG3 H 1 1.34 0.01 . 2 . . . . . . . . 6437 1 76 . 1 1 9 9 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 6437 1 77 . 1 1 9 9 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 6437 1 78 . 1 1 9 9 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 6437 1 79 . 1 1 9 9 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 6437 1 80 . 1 1 9 9 LYS HZ1 H 1 7.50 0.01 . 1 . . . . . . . . 6437 1 81 . 1 1 9 9 LYS HZ2 H 1 7.50 0.01 . 1 . . . . . . . . 6437 1 82 . 1 1 9 9 LYS HZ3 H 1 7.50 0.01 . 1 . . . . . . . . 6437 1 83 . 1 1 10 10 VAL H H 1 8.18 0.01 . 1 . . . . . . . . 6437 1 84 . 1 1 10 10 VAL HA H 1 4.09 0.01 . 1 . . . . . . . . 6437 1 85 . 1 1 10 10 VAL HB H 1 2.05 0.01 . 1 . . . . . . . . 6437 1 86 . 1 1 10 10 VAL HG11 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1 87 . 1 1 10 10 VAL HG12 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1 88 . 1 1 10 10 VAL HG13 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1 89 . 1 1 10 10 VAL HG21 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1 90 . 1 1 10 10 VAL HG22 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1 91 . 1 1 10 10 VAL HG23 H 1 0.90 0.01 . 1 . . . . . . . . 6437 1 92 . 1 1 11 11 ARG H H 1 8.41 0.01 . 1 . . . . . . . . 6437 1 93 . 1 1 11 11 ARG HA H 1 4.25 0.01 . 1 . . . . . . . . 6437 1 94 . 1 1 11 11 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6437 1 95 . 1 1 11 11 ARG HB3 H 1 1.75 0.01 . 2 . . . . . . . . 6437 1 96 . 1 1 11 11 ARG HG2 H 1 1.61 0.01 . 1 . . . . . . . . 6437 1 97 . 1 1 11 11 ARG HG3 H 1 1.61 0.01 . 1 . . . . . . . . 6437 1 98 . 1 1 11 11 ARG HD2 H 1 3.17 0.01 . 1 . . . . . . . . 6437 1 99 . 1 1 11 11 ARG HD3 H 1 3.17 0.01 . 1 . . . . . . . . 6437 1 100 . 1 1 11 11 ARG HE H 1 7.19 0.01 . 1 . . . . . . . . 6437 1 stop_ save_ save_csr_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode csr_2 _Assigned_chem_shift_list.Entry_ID 6437 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _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 . . 2 $sample_2 . 6437 2 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 PHE HA H 1 4.14 0.01 . 1 . . . . . . . . 6437 2 2 . 1 1 1 1 PHE HB2 H 1 2.92 0.01 . 1 . . . . . . . . 6437 2 3 . 1 1 1 1 PHE HB3 H 1 2.92 0.01 . 1 . . . . . . . . 6437 2 4 . 1 1 1 1 PHE HD1 H 1 7.04 0.01 . 1 . . . . . . . . 6437 2 5 . 1 1 1 1 PHE HD2 H 1 7.04 0.01 . 1 . . . . . . . . 6437 2 6 . 1 1 1 1 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 6437 2 7 . 1 1 1 1 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 6437 2 8 . 1 1 1 1 PHE HZ H 1 7.20 0.01 . 1 . . . . . . . . 6437 2 9 . 1 1 2 2 GLN H H 1 8.43 0.01 . 1 . . . . . . . . 6437 2 10 . 1 1 2 2 GLN HA H 1 4.30 0.01 . 1 . . . . . . . . 6437 2 11 . 1 1 2 2 GLN HB2 H 1 1.92 0.01 . 2 . . . . . . . . 6437 2 12 . 1 1 2 2 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6437 2 13 . 1 1 2 2 GLN HG2 H 1 2.21 0.01 . 1 . . . . . . . . 6437 2 14 . 1 1 2 2 GLN HG3 H 1 2.21 0.01 . 1 . . . . . . . . 6437 2 15 . 1 1 2 2 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 6437 2 16 . 1 1 2 2 GLN HE22 H 1 7.45 0.01 . 2 . . . . . . . . 6437 2 17 . 1 1 3 3 TRP H H 1 8.14 0.01 . 1 . . . . . . . . 6437 2 18 . 1 1 3 3 TRP HA H 1 4.55 0.01 . 1 . . . . . . . . 6437 2 19 . 1 1 3 3 TRP HB2 H 1 3.25 0.01 . 1 . . . . . . . . 6437 2 20 . 1 1 3 3 TRP HB3 H 1 3.25 0.01 . 1 . . . . . . . . 6437 2 21 . 1 1 3 3 TRP HD1 H 1 7.29 0.01 . 1 . . . . . . . . 6437 2 22 . 1 1 3 3 TRP HE1 H 1 10.13 0.01 . 1 . . . . . . . . 6437 2 23 . 1 1 3 3 TRP HE3 H 1 7.61 0.01 . 1 . . . . . . . . 6437 2 24 . 1 1 3 3 TRP HZ2 H 1 7.40 0.01 . 1 . . . . . . . . 6437 2 25 . 1 1 3 3 TRP HZ3 H 1 7.14 0.01 . 1 . . . . . . . . 6437 2 26 . 1 1 3 3 TRP HH2 H 1 7.17 0.01 . 1 . . . . . . . . 6437 2 27 . 1 1 4 4 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 6437 2 28 . 1 1 4 4 GLN HA H 1 4.19 0.01 . 1 . . . . . . . . 6437 2 29 . 1 1 4 4 GLN HB2 H 1 1.95 0.01 . 2 . . . . . . . . 6437 2 30 . 1 1 4 4 GLN HB3 H 1 1.83 0.01 . 2 . . . . . . . . 6437 2 31 . 1 1 4 4 GLN HG2 H 1 2.19 0.01 . 2 . . . . . . . . 6437 2 32 . 1 1 4 4 GLN HG3 H 1 2.05 0.01 . 2 . . . . . . . . 6437 2 33 . 1 1 4 4 GLN HE21 H 1 7.42 0.01 . 2 . . . . . . . . 6437 2 34 . 1 1 4 4 GLN HE22 H 1 6.81 0.01 . 2 . . . . . . . . 6437 2 35 . 1 1 5 5 ARG H H 1 8.19 0.01 . 1 . . . . . . . . 6437 2 36 . 1 1 5 5 ARG HA H 1 4.13 0.01 . 1 . . . . . . . . 6437 2 37 . 1 1 5 5 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 6437 2 38 . 1 1 5 5 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 6437 2 39 . 1 1 5 5 ARG HG2 H 1 1.57 0.01 . 2 . . . . . . . . 6437 2 40 . 1 1 5 5 ARG HG3 H 1 1.52 0.01 . 2 . . . . . . . . 6437 2 41 . 1 1 5 5 ARG HD2 H 1 3.13 0.01 . 1 . . . . . . . . 6437 2 42 . 1 1 5 5 ARG HD3 H 1 3.13 0.01 . 1 . . . . . . . . 6437 2 43 . 1 1 5 5 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 6437 2 44 . 1 1 6 6 ASN H H 1 8.43 0.01 . 1 . . . . . . . . 6437 2 45 . 1 1 6 6 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 6437 2 46 . 1 1 6 6 ASN HB2 H 1 2.80 0.01 . 2 . . . . . . . . 6437 2 47 . 1 1 6 6 ASN HB3 H 1 2.70 0.01 . 2 . . . . . . . . 6437 2 48 . 1 1 6 6 ASN HD21 H 1 7.57 0.01 . 2 . . . . . . . . 6437 2 49 . 1 1 6 6 ASN HD22 H 1 6.87 0.01 . 2 . . . . . . . . 6437 2 50 . 1 1 7 7 ILE H H 1 8.03 0.01 . 1 . . . . . . . . 6437 2 51 . 1 1 7 7 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 6437 2 52 . 1 1 7 7 ILE HB H 1 1.84 0.01 . 1 . . . . . . . . 6437 2 53 . 1 1 7 7 ILE HG12 H 1 1.39 0.01 . 2 . . . . . . . . 6437 2 54 . 1 1 7 7 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 6437 2 55 . 1 1 7 7 ILE HG21 H 1 0.86 0.01 . 1 . . . . . . . . 6437 2 56 . 1 1 7 7 ILE HG22 H 1 0.86 0.01 . 1 . . . . . . . . 6437 2 57 . 1 1 7 7 ILE HG23 H 1 0.86 0.01 . 1 . . . . . . . . 6437 2 58 . 1 1 7 7 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 6437 2 59 . 1 1 7 7 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 6437 2 60 . 1 1 7 7 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 6437 2 61 . 1 1 8 8 ARG H H 1 8.32 0.01 . 1 . . . . . . . . 6437 2 62 . 1 1 8 8 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 6437 2 63 . 1 1 8 8 ARG HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6437 2 64 . 1 1 8 8 ARG HB3 H 1 1.71 0.01 . 2 . . . . . . . . 6437 2 65 . 1 1 8 8 ARG HG2 H 1 1.61 0.01 . 2 . . . . . . . . 6437 2 66 . 1 1 8 8 ARG HG3 H 1 1.53 0.01 . 2 . . . . . . . . 6437 2 67 . 1 1 8 8 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 6437 2 68 . 1 1 8 8 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 6437 2 69 . 1 1 8 8 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 6437 2 70 . 1 1 9 9 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 6437 2 71 . 1 1 9 9 LYS HA H 1 4.29 0.01 . 1 . . . . . . . . 6437 2 72 . 1 1 9 9 LYS HB2 H 1 1.78 0.01 . 2 . . . . . . . . 6437 2 73 . 1 1 9 9 LYS HB3 H 1 1.66 0.01 . 2 . . . . . . . . 6437 2 74 . 1 1 9 9 LYS HG2 H 1 1.40 0.01 . 2 . . . . . . . . 6437 2 75 . 1 1 9 9 LYS HG3 H 1 1.34 0.01 . 2 . . . . . . . . 6437 2 76 . 1 1 9 9 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 6437 2 77 . 1 1 9 9 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 6437 2 78 . 1 1 9 9 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 6437 2 79 . 1 1 9 9 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 6437 2 80 . 1 1 9 9 LYS HZ1 H 1 7.50 0.01 . 1 . . . . . . . . 6437 2 81 . 1 1 9 9 LYS HZ2 H 1 7.50 0.01 . 1 . . . . . . . . 6437 2 82 . 1 1 9 9 LYS HZ3 H 1 7.50 0.01 . 1 . . . . . . . . 6437 2 83 . 1 1 10 10 VAL H H 1 8.18 0.01 . 1 . . . . . . . . 6437 2 84 . 1 1 10 10 VAL HA H 1 4.09 0.01 . 1 . . . . . . . . 6437 2 85 . 1 1 10 10 VAL HB H 1 2.05 0.01 . 1 . . . . . . . . 6437 2 86 . 1 1 10 10 VAL HG11 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2 87 . 1 1 10 10 VAL HG12 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2 88 . 1 1 10 10 VAL HG13 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2 89 . 1 1 10 10 VAL HG21 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2 90 . 1 1 10 10 VAL HG22 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2 91 . 1 1 10 10 VAL HG23 H 1 0.90 0.01 . 1 . . . . . . . . 6437 2 92 . 1 1 11 11 ARG H H 1 8.41 0.01 . 1 . . . . . . . . 6437 2 93 . 1 1 11 11 ARG HA H 1 4.25 0.01 . 1 . . . . . . . . 6437 2 94 . 1 1 11 11 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6437 2 95 . 1 1 11 11 ARG HB3 H 1 1.75 0.01 . 2 . . . . . . . . 6437 2 96 . 1 1 11 11 ARG HG2 H 1 1.61 0.01 . 1 . . . . . . . . 6437 2 97 . 1 1 11 11 ARG HG3 H 1 1.61 0.01 . 1 . . . . . . . . 6437 2 98 . 1 1 11 11 ARG HD2 H 1 3.17 0.01 . 1 . . . . . . . . 6437 2 99 . 1 1 11 11 ARG HD3 H 1 3.17 0.01 . 1 . . . . . . . . 6437 2 100 . 1 1 11 11 ARG HE H 1 7.19 0.01 . 1 . . . . . . . . 6437 2 stop_ save_ save_csr_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode csr_3 _Assigned_chem_shift_list.Entry_ID 6437 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions _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 . . 3 $sample_3 . 6437 3 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 PHE HA H 1 4.26 0.01 . 1 . . . . . . . . 6437 3 2 . 1 1 1 1 PHE HB2 H 1 3.09 0.01 . 2 . . . . . . . . 6437 3 3 . 1 1 1 1 PHE HB3 H 1 2.95 0.01 . 2 . . . . . . . . 6437 3 4 . 1 1 1 1 PHE HD1 H 1 7.14 0.01 . 1 . . . . . . . . 6437 3 5 . 1 1 1 1 PHE HD2 H 1 7.14 0.01 . 1 . . . . . . . . 6437 3 6 . 1 1 1 1 PHE HE1 H 1 7.21 0.01 . 1 . . . . . . . . 6437 3 7 . 1 1 1 1 PHE HE2 H 1 7.21 0.01 . 1 . . . . . . . . 6437 3 8 . 1 1 2 2 GLN H H 1 8.03 0.01 . 1 . . . . . . . . 6437 3 9 . 1 1 2 2 GLN HA H 1 4.45 0.01 . 1 . . . . . . . . 6437 3 10 . 1 1 2 2 GLN HB2 H 1 1.98 0.01 . 2 . . . . . . . . 6437 3 11 . 1 1 2 2 GLN HB3 H 1 1.89 0.01 . 2 . . . . . . . . 6437 3 12 . 1 1 2 2 GLN HG2 H 1 2.25 0.01 . 1 . . . . . . . . 6437 3 13 . 1 1 2 2 GLN HG3 H 1 2.25 0.01 . 1 . . . . . . . . 6437 3 14 . 1 1 2 2 GLN HE21 H 1 6.78 0.01 . 2 . . . . . . . . 6437 3 15 . 1 1 2 2 GLN HE22 H 1 7.46 0.01 . 2 . . . . . . . . 6437 3 16 . 1 1 3 3 TRP H H 1 8.03 0.01 . 1 . . . . . . . . 6437 3 17 . 1 1 3 3 TRP HA H 1 4.73 0.01 . 1 . . . . . . . . 6437 3 18 . 1 1 3 3 TRP HB2 H 1 3.23 0.01 . 2 . . . . . . . . 6437 3 19 . 1 1 3 3 TRP HB3 H 1 3.40 0.01 . 2 . . . . . . . . 6437 3 20 . 1 1 3 3 TRP HD1 H 1 7.40 0.01 . 1 . . . . . . . . 6437 3 21 . 1 1 3 3 TRP HE1 H 1 9.93 0.01 . 1 . . . . . . . . 6437 3 22 . 1 1 3 3 TRP HE3 H 1 7.69 0.01 . 1 . . . . . . . . 6437 3 23 . 1 1 3 3 TRP HZ2 H 1 7.58 0.01 . 1 . . . . . . . . 6437 3 24 . 1 1 3 3 TRP HZ3 H 1 7.04 0.01 . 1 . . . . . . . . 6437 3 25 . 1 1 3 3 TRP HH2 H 1 7.40 0.01 . 1 . . . . . . . . 6437 3 26 . 1 1 4 4 GLN H H 1 8.32 0.01 . 1 . . . . . . . . 6437 3 27 . 1 1 4 4 GLN HA H 1 4.31 0.01 . 1 . . . . . . . . 6437 3 28 . 1 1 4 4 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 6437 3 29 . 1 1 4 4 GLN HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6437 3 30 . 1 1 4 4 GLN HG2 H 1 2.26 0.01 . 1 . . . . . . . . 6437 3 31 . 1 1 4 4 GLN HG3 H 1 2.26 0.01 . 1 . . . . . . . . 6437 3 32 . 1 1 4 4 GLN HE21 H 1 6.76 0.01 . 2 . . . . . . . . 6437 3 33 . 1 1 4 4 GLN HE22 H 1 7.41 0.01 . 2 . . . . . . . . 6437 3 34 . 1 1 5 5 ARG H H 1 7.18 0.01 . 1 . . . . . . . . 6437 3 35 . 1 1 5 5 ARG HA H 1 4.11 0.01 . 1 . . . . . . . . 6437 3 36 . 1 1 5 5 ARG HB2 H 1 1.71 0.01 . 2 . . . . . . . . 6437 3 37 . 1 1 5 5 ARG HB3 H 1 1.50 0.01 . 2 . . . . . . . . 6437 3 38 . 1 1 5 5 ARG HG2 H 1 1.30 0.01 . 1 . . . . . . . . 6437 3 39 . 1 1 5 5 ARG HG3 H 1 1.30 0.01 . 1 . . . . . . . . 6437 3 40 . 1 1 5 5 ARG HD2 H 1 2.97 0.01 . 1 . . . . . . . . 6437 3 41 . 1 1 5 5 ARG HD3 H 1 2.97 0.01 . 1 . . . . . . . . 6437 3 42 . 1 1 5 5 ARG HE H 1 6.93 0.01 . 1 . . . . . . . . 6437 3 43 . 1 1 6 6 ASN H H 1 8.21 0.01 . 1 . . . . . . . . 6437 3 44 . 1 1 6 6 ASN HA H 1 4.80 0.01 . 1 . . . . . . . . 6437 3 45 . 1 1 6 6 ASN HB2 H 1 2.83 0.01 . 2 . . . . . . . . 6437 3 46 . 1 1 6 6 ASN HB3 H 1 2.71 0.01 . 2 . . . . . . . . 6437 3 47 . 1 1 6 6 ASN HD21 H 1 6.78 0.01 . 2 . . . . . . . . 6437 3 48 . 1 1 6 6 ASN HD22 H 1 7.46 0.01 . 2 . . . . . . . . 6437 3 49 . 1 1 7 7 ILE H H 1 8.05 0.01 . 1 . . . . . . . . 6437 3 50 . 1 1 7 7 ILE HA H 1 4.03 0.01 . 1 . . . . . . . . 6437 3 51 . 1 1 7 7 ILE HB H 1 2.03 0.01 . 1 . . . . . . . . 6437 3 52 . 1 1 7 7 ILE HG12 H 1 1.65 0.01 . 2 . . . . . . . . 6437 3 53 . 1 1 7 7 ILE HG13 H 1 1.31 0.01 . 2 . . . . . . . . 6437 3 54 . 1 1 7 7 ILE HG21 H 1 0.98 0.01 . 1 . . . . . . . . 6437 3 55 . 1 1 7 7 ILE HG22 H 1 0.98 0.01 . 1 . . . . . . . . 6437 3 56 . 1 1 7 7 ILE HG23 H 1 0.98 0.01 . 1 . . . . . . . . 6437 3 57 . 1 1 7 7 ILE HD11 H 1 0.97 0.01 . 1 . . . . . . . . 6437 3 58 . 1 1 7 7 ILE HD12 H 1 0.97 0.01 . 1 . . . . . . . . 6437 3 59 . 1 1 7 7 ILE HD13 H 1 0.97 0.01 . 1 . . . . . . . . 6437 3 60 . 1 1 8 8 ARG H H 1 7.95 0.01 . 1 . . . . . . . . 6437 3 61 . 1 1 8 8 ARG HA H 1 4.22 0.01 . 1 . . . . . . . . 6437 3 62 . 1 1 8 8 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6437 3 63 . 1 1 8 8 ARG HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6437 3 64 . 1 1 8 8 ARG HG2 H 1 1.70 0.01 . 1 . . . . . . . . 6437 3 65 . 1 1 8 8 ARG HG3 H 1 1.70 0.01 . 1 . . . . . . . . 6437 3 66 . 1 1 8 8 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . 6437 3 67 . 1 1 8 8 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 6437 3 68 . 1 1 8 8 ARG HE H 1 7.12 0.01 . 1 . . . . . . . . 6437 3 69 . 1 1 9 9 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 6437 3 70 . 1 1 9 9 LYS HA H 1 4.30 0.01 . 1 . . . . . . . . 6437 3 71 . 1 1 9 9 LYS HB2 H 1 1.83 0.01 . 2 . . . . . . . . 6437 3 72 . 1 1 9 9 LYS HB3 H 1 1.92 0.01 . 2 . . . . . . . . 6437 3 73 . 1 1 9 9 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 6437 3 74 . 1 1 9 9 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 6437 3 75 . 1 1 9 9 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 6437 3 76 . 1 1 9 9 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 6437 3 77 . 1 1 9 9 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 6437 3 78 . 1 1 9 9 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 6437 3 79 . 1 1 9 9 LYS HZ1 H 1 7.44 0.01 . 1 . . . . . . . . 6437 3 80 . 1 1 9 9 LYS HZ2 H 1 7.44 0.01 . 1 . . . . . . . . 6437 3 81 . 1 1 9 9 LYS HZ3 H 1 7.44 0.01 . 1 . . . . . . . . 6437 3 82 . 1 1 10 10 VAL H H 1 7.87 0.01 . 1 . . . . . . . . 6437 3 83 . 1 1 10 10 VAL HA H 1 4.02 0.01 . 1 . . . . . . . . 6437 3 84 . 1 1 10 10 VAL HB H 1 2.22 0.01 . 1 . . . . . . . . 6437 3 85 . 1 1 10 10 VAL HG11 H 1 1.04 0.01 . 2 . . . . . . . . 6437 3 86 . 1 1 10 10 VAL HG12 H 1 1.04 0.01 . 2 . . . . . . . . 6437 3 87 . 1 1 10 10 VAL HG13 H 1 1.04 0.01 . 2 . . . . . . . . 6437 3 88 . 1 1 10 10 VAL HG21 H 1 1.00 0.01 . 2 . . . . . . . . 6437 3 89 . 1 1 10 10 VAL HG22 H 1 1.00 0.01 . 2 . . . . . . . . 6437 3 90 . 1 1 10 10 VAL HG23 H 1 1.00 0.01 . 2 . . . . . . . . 6437 3 91 . 1 1 11 11 ARG H H 1 7.91 0.01 . 1 . . . . . . . . 6437 3 92 . 1 1 11 11 ARG HA H 1 4.32 0.01 . 1 . . . . . . . . 6437 3 93 . 1 1 11 11 ARG HB2 H 1 1.82 0.01 . 2 . . . . . . . . 6437 3 94 . 1 1 11 11 ARG HB3 H 1 1.94 0.01 . 2 . . . . . . . . 6437 3 95 . 1 1 11 11 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 6437 3 96 . 1 1 11 11 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 6437 3 97 . 1 1 11 11 ARG HD2 H 1 3.23 0.01 . 1 . . . . . . . . 6437 3 98 . 1 1 11 11 ARG HD3 H 1 3.23 0.01 . 1 . . . . . . . . 6437 3 99 . 1 1 11 11 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 6437 3 stop_ save_