data_5292 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5292 _Entry.Title ; 1H Chemical Shift Assignments for TC5b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-02-15 _Entry.Accession_date 2002-02-15 _Entry.Last_release_date 2002-06-13 _Entry.Original_release_date 2002-06-13 _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 Jonathan Neidigh . W. . 5292 2 R. Fesinmeyer . Matthew . 5292 3 Niels Andersen . H. . 5292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 276 5292 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 . . 2002-06-13 2002-02-15 original author . 5292 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1L2Y 'BMRB Entry Tracking System' 5292 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5292 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22028569 _Citation.DOI . _Citation.PubMed_ID 11979279 _Citation.Full_citation . _Citation.Title 'Designing a 20-residue Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 6 _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 425 _Citation.Page_last 430 _Citation.Year 2002 _Citation.Details 'First linear 20-residue peptide to display protein-like folding behavior.' 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 Jonathan Neidigh . W. . 5292 1 2 R. Fesinmeyer . Matthew . 5292 1 3 Niels Andersen . H. . 5292 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID miniprotein 5292 1 'ring current shifts' 5292 1 Trp-cage 5292 1 'two-state folding' 5292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TC5b _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TC5b _Assembly.Entry_ID 5292 _Assembly.ID 1 _Assembly.Name 'Trp-cage Construct 5b' _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 5292 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 TC5b 1 $TC5b . . . native . . . . . 5292 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TC5b abbreviation 5292 1 'Trp-cage Construct 5b' system 5292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TC5b _Entity.Sf_category entity _Entity.Sf_framecode TC5b _Entity.Entry_ID 5292 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Trp-cage Construct 5b' _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 ; NLYIQWLKDGGPSSGRPPPS ; _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 20 _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 . _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 PDB 1L2Y . "Nmr Structure Of Trp-Cage Miniprotein Construct Tc5b" . . . . . 100.00 20 100.00 100.00 1.96e-04 . . . . 5292 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TC5b abbreviation 5292 1 'Trp-cage Construct 5b' common 5292 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 . ASN . 5292 1 2 . LEU . 5292 1 3 . TYR . 5292 1 4 . ILE . 5292 1 5 . GLN . 5292 1 6 . TRP . 5292 1 7 . LEU . 5292 1 8 . LYS . 5292 1 9 . ASP . 5292 1 10 . GLY . 5292 1 11 . GLY . 5292 1 12 . PRO . 5292 1 13 . SER . 5292 1 14 . SER . 5292 1 15 . GLY . 5292 1 16 . ARG . 5292 1 17 . PRO . 5292 1 18 . PRO . 5292 1 19 . PRO . 5292 1 20 . SER . 5292 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 . ASN 1 1 5292 1 . LEU 2 2 5292 1 . TYR 3 3 5292 1 . ILE 4 4 5292 1 . GLN 5 5 5292 1 . TRP 6 6 5292 1 . LEU 7 7 5292 1 . LYS 8 8 5292 1 . ASP 9 9 5292 1 . GLY 10 10 5292 1 . GLY 11 11 5292 1 . PRO 12 12 5292 1 . SER 13 13 5292 1 . SER 14 14 5292 1 . GLY 15 15 5292 1 . ARG 16 16 5292 1 . PRO 17 17 5292 1 . PRO 18 18 5292 1 . PRO 19 19 5292 1 . SER 20 20 5292 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 5292 _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 $TC5b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 'Not applicable.' . . 5292 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 5292 _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 $TC5b . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5292 _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 'Trp-cage Construct 5b' . . . 1 $TC5b . . . 1.0 1.8 mM . . . . 5292 1 2 'phosphate buffer' . . . . . . . 15 . . mM . . . . 5292 1 3 H2O . . . . . . . 100 . . % . . . . 5292 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5292 _Sample.ID 2 _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 'Trp-cage Construct 5b' . . . 1 $TC5b . . . 1.0 1.8 mM . . . . 5292 2 2 'phosphate buffer' . . . . . . . 15 . . mM . . . . 5292 2 3 Trifluoroethanol . . . . . . . 30 . . % . . . . 5292 2 4 H2O . . . . . . . 70 . . % . . . . 5292 2 stop_ save_ ####################### # Sample conditions # ####################### save_Aqueous_Buffer _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Aqueous_Buffer _Sample_condition_list.Entry_ID 5292 _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 0.5 n/a 5292 1 temperature 282 2 K 5292 1 stop_ save_ save_TFE _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode TFE _Sample_condition_list.Entry_ID 5292 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'pH was measured prior to TFE addition.' 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 1.0 n/a 5292 2 temperature 280 2 K 5292 2 stop_ save_ ############################ # Computer software used # ############################ save_XWinNMR _Software.Sf_category software _Software.Sf_framecode XWinNMR _Software.Entry_ID 5292 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 5292 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5292 _Software.ID 2 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'manual peak assignment' 5292 2 processing 5292 2 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 5292 _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_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5292 _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 DRX . 500 . . . 5292 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 5292 _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 'TOCSY (15-60ms spinlock)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5292 1 2 'NOESY (60-200ms mixing time)' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5292 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 5292 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'TOCSY (15-60ms spinlock)' _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 5292 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'NOESY (60-200ms mixing time)' _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 5292 _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 . . . . . . . . . 5292 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5292 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Aqueous_Buffer _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 . 5292 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 ASN HA H 1 4.24 0.005 . 1 . . . . . . . . 5292 1 2 . 1 1 1 1 ASN HB2 H 1 3.14 0.005 . 1 . . . . . . . . 5292 1 3 . 1 1 1 1 ASN HB3 H 1 3.14 0.005 . 1 . . . . . . . . 5292 1 4 . 1 1 1 1 ASN HD21 H 1 7.59 0.005 . 1 . . . . . . . . 5292 1 5 . 1 1 1 1 ASN HD22 H 1 6.97 0.005 . 1 . . . . . . . . 5292 1 6 . 1 1 2 2 LEU H H 1 8.625 0.005 . 1 . . . . . . . . 5292 1 7 . 1 1 2 2 LEU HA H 1 4.134 0.005 . 1 . . . . . . . . 5292 1 8 . 1 1 2 2 LEU HB2 H 1 1.799 0.005 . 1 . . . . . . . . 5292 1 9 . 1 1 2 2 LEU HB3 H 1 1.413 0.005 . 1 . . . . . . . . 5292 1 10 . 1 1 2 2 LEU HG H 1 1.778 0.005 . 1 . . . . . . . . 5292 1 11 . 1 1 2 2 LEU HD11 H 1 0.985 0.005 . 1 . . . . . . . . 5292 1 12 . 1 1 2 2 LEU HD12 H 1 0.985 0.005 . 1 . . . . . . . . 5292 1 13 . 1 1 2 2 LEU HD13 H 1 0.985 0.005 . 1 . . . . . . . . 5292 1 14 . 1 1 2 2 LEU HD21 H 1 0.915 0.005 . 1 . . . . . . . . 5292 1 15 . 1 1 2 2 LEU HD22 H 1 0.915 0.005 . 1 . . . . . . . . 5292 1 16 . 1 1 2 2 LEU HD23 H 1 0.915 0.005 . 1 . . . . . . . . 5292 1 17 . 1 1 3 3 TYR H H 1 8.989 0.005 . 1 . . . . . . . . 5292 1 18 . 1 1 3 3 TYR HA H 1 4.139 0.005 . 1 . . . . . . . . 5292 1 19 . 1 1 3 3 TYR HB2 H 1 3.090 0.005 . 1 . . . . . . . . 5292 1 20 . 1 1 3 3 TYR HB3 H 1 3.090 0.005 . 1 . . . . . . . . 5292 1 21 . 1 1 3 3 TYR HD1 H 1 7.025 0.005 . 1 . . . . . . . . 5292 1 22 . 1 1 3 3 TYR HD2 H 1 7.025 0.005 . 1 . . . . . . . . 5292 1 23 . 1 1 3 3 TYR HE1 H 1 6.815 0.005 . 1 . . . . . . . . 5292 1 24 . 1 1 3 3 TYR HE2 H 1 6.815 0.005 . 1 . . . . . . . . 5292 1 25 . 1 1 4 4 ILE H H 1 7.873 0.005 . 1 . . . . . . . . 5292 1 26 . 1 1 4 4 ILE HA H 1 3.805 0.005 . 1 . . . . . . . . 5292 1 27 . 1 1 4 4 ILE HB H 1 1.927 0.005 . 1 . . . . . . . . 5292 1 28 . 1 1 4 4 ILE HG12 H 1 1.709 0.005 . 2 . . . . . . . . 5292 1 29 . 1 1 4 4 ILE HG13 H 1 1.378 0.005 . 2 . . . . . . . . 5292 1 30 . 1 1 4 4 ILE HG21 H 1 0.966 0.005 . 1 . . . . . . . . 5292 1 31 . 1 1 4 4 ILE HG22 H 1 0.966 0.005 . 1 . . . . . . . . 5292 1 32 . 1 1 4 4 ILE HG23 H 1 0.966 0.005 . 1 . . . . . . . . 5292 1 33 . 1 1 4 4 ILE HD11 H 1 0.960 0.005 . 1 . . . . . . . . 5292 1 34 . 1 1 4 4 ILE HD12 H 1 0.960 0.005 . 1 . . . . . . . . 5292 1 35 . 1 1 4 4 ILE HD13 H 1 0.960 0.005 . 1 . . . . . . . . 5292 1 36 . 1 1 5 5 GLN H H 1 7.906 0.005 . 1 . . . . . . . . 5292 1 37 . 1 1 5 5 GLN HA H 1 3.947 0.005 . 1 . . . . . . . . 5292 1 38 . 1 1 5 5 GLN HB2 H 1 2.162 0.005 . 2 . . . . . . . . 5292 1 39 . 1 1 5 5 GLN HB3 H 1 2.089 0.005 . 2 . . . . . . . . 5292 1 40 . 1 1 5 5 GLN HG2 H 1 2.385 0.005 . 2 . . . . . . . . 5292 1 41 . 1 1 5 5 GLN HG3 H 1 2.356 0.005 . 2 . . . . . . . . 5292 1 42 . 1 1 5 5 GLN HE21 H 1 7.744 0.005 . 1 . . . . . . . . 5292 1 43 . 1 1 5 5 GLN HE22 H 1 7.063 0.005 . 1 . . . . . . . . 5292 1 44 . 1 1 6 6 TRP H H 1 8.093 0.005 . 1 . . . . . . . . 5292 1 45 . 1 1 6 6 TRP HA H 1 4.252 0.005 . 1 . . . . . . . . 5292 1 46 . 1 1 6 6 TRP HB2 H 1 3.149 0.005 . 2 . . . . . . . . 5292 1 47 . 1 1 6 6 TRP HB3 H 1 3.545 0.005 . 2 . . . . . . . . 5292 1 48 . 1 1 6 6 TRP HD1 H 1 7.036 0.005 . 1 . . . . . . . . 5292 1 49 . 1 1 6 6 TRP HE1 H 1 9.731 0.005 . 1 . . . . . . . . 5292 1 50 . 1 1 6 6 TRP HE3 H 1 7.057 0.005 . 1 . . . . . . . . 5292 1 51 . 1 1 6 6 TRP HZ2 H 1 7.224 0.005 . 1 . . . . . . . . 5292 1 52 . 1 1 6 6 TRP HZ3 H 1 7.133 0.005 . 1 . . . . . . . . 5292 1 53 . 1 1 6 6 TRP HH2 H 1 7.224 0.005 . 1 . . . . . . . . 5292 1 54 . 1 1 7 7 LEU H H 1 8.338 0.005 . 1 . . . . . . . . 5292 1 55 . 1 1 7 7 LEU HA H 1 3.468 0.005 . 1 . . . . . . . . 5292 1 56 . 1 1 7 7 LEU HB2 H 1 1.911 0.005 . 1 . . . . . . . . 5292 1 57 . 1 1 7 7 LEU HB3 H 1 1.375 0.005 . 1 . . . . . . . . 5292 1 58 . 1 1 7 7 LEU HG H 1 1.617 0.005 . 1 . . . . . . . . 5292 1 59 . 1 1 7 7 LEU HD11 H 1 0.986 0.005 . 1 . . . . . . . . 5292 1 60 . 1 1 7 7 LEU HD12 H 1 0.986 0.005 . 1 . . . . . . . . 5292 1 61 . 1 1 7 7 LEU HD13 H 1 0.986 0.005 . 1 . . . . . . . . 5292 1 62 . 1 1 7 7 LEU HD21 H 1 0.898 0.005 . 1 . . . . . . . . 5292 1 63 . 1 1 7 7 LEU HD22 H 1 0.898 0.005 . 1 . . . . . . . . 5292 1 64 . 1 1 7 7 LEU HD23 H 1 0.898 0.005 . 1 . . . . . . . . 5292 1 65 . 1 1 8 8 LYS H H 1 8.246 0.005 . 1 . . . . . . . . 5292 1 66 . 1 1 8 8 LYS HA H 1 3.963 0.005 . 1 . . . . . . . . 5292 1 67 . 1 1 8 8 LYS HB2 H 1 1.905 0.005 . 1 . . . . . . . . 5292 1 68 . 1 1 8 8 LYS HB3 H 1 1.905 0.005 . 1 . . . . . . . . 5292 1 69 . 1 1 8 8 LYS HG2 H 1 1.544 0.005 . 2 . . . . . . . . 5292 1 70 . 1 1 8 8 LYS HG3 H 1 1.433 0.005 . 2 . . . . . . . . 5292 1 71 . 1 1 8 8 LYS HD2 H 1 1.636 0.005 . 1 . . . . . . . . 5292 1 72 . 1 1 8 8 LYS HD3 H 1 1.636 0.005 . 1 . . . . . . . . 5292 1 73 . 1 1 8 8 LYS HE2 H 1 2.939 0.005 . 1 . . . . . . . . 5292 1 74 . 1 1 8 8 LYS HE3 H 1 2.939 0.005 . 1 . . . . . . . . 5292 1 75 . 1 1 8 8 LYS HZ1 H 1 7.620 0.005 . 1 . . . . . . . . 5292 1 76 . 1 1 8 8 LYS HZ2 H 1 7.620 0.005 . 1 . . . . . . . . 5292 1 77 . 1 1 8 8 LYS HZ3 H 1 7.620 0.005 . 1 . . . . . . . . 5292 1 78 . 1 1 9 9 ASP H H 1 7.991 0.005 . 1 . . . . . . . . 5292 1 79 . 1 1 9 9 ASP HA H 1 4.573 0.005 . 1 . . . . . . . . 5292 1 80 . 1 1 9 9 ASP HB2 H 1 2.988 0.005 . 1 . . . . . . . . 5292 1 81 . 1 1 9 9 ASP HB3 H 1 2.797 0.005 . 1 . . . . . . . . 5292 1 82 . 1 1 10 10 GLY H H 1 7.627 0.005 . 1 . . . . . . . . 5292 1 83 . 1 1 10 10 GLY HA2 H 1 3.504 0.005 . 1 . . . . . . . . 5292 1 84 . 1 1 10 10 GLY HA3 H 1 4.146 0.005 . 1 . . . . . . . . 5292 1 85 . 1 1 11 11 GLY H H 1 8.375 0.005 . 1 . . . . . . . . 5292 1 86 . 1 1 11 11 GLY HA2 H 1 1.048 0.005 . 1 . . . . . . . . 5292 1 87 . 1 1 11 11 GLY HA3 H 1 3.144 0.005 . 1 . . . . . . . . 5292 1 88 . 1 1 12 12 PRO HA H 1 4.598 0.005 . 1 . . . . . . . . 5292 1 89 . 1 1 12 12 PRO HB2 H 1 2.045 0.005 . 1 . . . . . . . . 5292 1 90 . 1 1 12 12 PRO HB3 H 1 2.501 0.005 . 1 . . . . . . . . 5292 1 91 . 1 1 12 12 PRO HG2 H 1 2.051 0.005 . 1 . . . . . . . . 5292 1 92 . 1 1 12 12 PRO HG3 H 1 2.137 0.005 . 1 . . . . . . . . 5292 1 93 . 1 1 12 12 PRO HD2 H 1 3.779 0.005 . 1 . . . . . . . . 5292 1 94 . 1 1 12 12 PRO HD3 H 1 3.428 0.005 . 1 . . . . . . . . 5292 1 95 . 1 1 13 13 SER H H 1 7.811 0.005 . 1 . . . . . . . . 5292 1 96 . 1 1 13 13 SER HA H 1 4.463 0.005 . 1 . . . . . . . . 5292 1 97 . 1 1 13 13 SER HB2 H 1 3.915 0.005 . 1 . . . . . . . . 5292 1 98 . 1 1 13 13 SER HB3 H 1 3.915 0.005 . 1 . . . . . . . . 5292 1 99 . 1 1 14 14 SER H H 1 8.229 0.005 . 1 . . . . . . . . 5292 1 100 . 1 1 14 14 SER HA H 1 4.179 0.005 . 1 . . . . . . . . 5292 1 101 . 1 1 14 14 SER HB2 H 1 3.545 0.005 . 1 . . . . . . . . 5292 1 102 . 1 1 14 14 SER HB3 H 1 3.874 0.005 . 1 . . . . . . . . 5292 1 103 . 1 1 15 15 GLY H H 1 8.013 0.005 . 1 . . . . . . . . 5292 1 104 . 1 1 15 15 GLY HA2 H 1 3.825 0.005 . 1 . . . . . . . . 5292 1 105 . 1 1 15 15 GLY HA3 H 1 4.256 0.005 . 1 . . . . . . . . 5292 1 106 . 1 1 16 16 ARG H H 1 8.145 0.005 . 1 . . . . . . . . 5292 1 107 . 1 1 16 16 ARG HA H 1 4.980 0.005 . 1 . . . . . . . . 5292 1 108 . 1 1 16 16 ARG HB2 H 1 1.852 0.005 . 2 . . . . . . . . 5292 1 109 . 1 1 16 16 ARG HB3 H 1 1.649 0.005 . 2 . . . . . . . . 5292 1 110 . 1 1 16 16 ARG HG2 H 1 1.850 0.005 . 2 . . . . . . . . 5292 1 111 . 1 1 16 16 ARG HG3 H 1 1.762 0.005 . 2 . . . . . . . . 5292 1 112 . 1 1 16 16 ARG HD2 H 1 3.216 0.005 . 2 . . . . . . . . 5292 1 113 . 1 1 16 16 ARG HD3 H 1 3.297 0.005 . 2 . . . . . . . . 5292 1 114 . 1 1 16 16 ARG HE H 1 7.609 0.005 . 1 . . . . . . . . 5292 1 115 . 1 1 17 17 PRO HA H 1 4.728 0.005 . 1 . . . . . . . . 5292 1 116 . 1 1 17 17 PRO HB2 H 1 1.777 0.005 . 1 . . . . . . . . 5292 1 117 . 1 1 17 17 PRO HB3 H 1 2.313 0.005 . 1 . . . . . . . . 5292 1 118 . 1 1 17 17 PRO HG2 H 1 1.997 0.005 . 1 . . . . . . . . 5292 1 119 . 1 1 17 17 PRO HG3 H 1 1.997 0.005 . 1 . . . . . . . . 5292 1 120 . 1 1 17 17 PRO HD2 H 1 3.659 0.005 . 1 . . . . . . . . 5292 1 121 . 1 1 17 17 PRO HD3 H 1 3.861 0.005 . 1 . . . . . . . . 5292 1 122 . 1 1 18 18 PRO HA H 1 2.659 0.005 . 1 . . . . . . . . 5292 1 123 . 1 1 18 18 PRO HB2 H 1 1.366 0.005 . 1 . . . . . . . . 5292 1 124 . 1 1 18 18 PRO HB3 H 1 0.474 0.005 . 1 . . . . . . . . 5292 1 125 . 1 1 18 18 PRO HG2 H 1 1.751 0.005 . 1 . . . . . . . . 5292 1 126 . 1 1 18 18 PRO HG3 H 1 1.700 0.005 . 1 . . . . . . . . 5292 1 127 . 1 1 18 18 PRO HD2 H 1 3.525 0.005 . 1 . . . . . . . . 5292 1 128 . 1 1 18 18 PRO HD3 H 1 3.516 0.005 . 1 . . . . . . . . 5292 1 129 . 1 1 19 19 PRO HA H 1 4.366 0.005 . 1 . . . . . . . . 5292 1 130 . 1 1 19 19 PRO HB2 H 1 1.973 0.005 . 1 . . . . . . . . 5292 1 131 . 1 1 19 19 PRO HB3 H 1 2.235 0.005 . 1 . . . . . . . . 5292 1 132 . 1 1 19 19 PRO HG2 H 1 1.820 0.005 . 1 . . . . . . . . 5292 1 133 . 1 1 19 19 PRO HG3 H 1 1.847 0.005 . 1 . . . . . . . . 5292 1 134 . 1 1 19 19 PRO HD2 H 1 2.986 0.005 . 1 . . . . . . . . 5292 1 135 . 1 1 19 19 PRO HD3 H 1 3.191 0.005 . 1 . . . . . . . . 5292 1 136 . 1 1 20 20 SER H H 1 8.078 0.005 . 1 . . . . . . . . 5292 1 137 . 1 1 20 20 SER HA H 1 4.230 0.005 . 1 . . . . . . . . 5292 1 138 . 1 1 20 20 SER HB2 H 1 3.808 0.005 . 1 . . . . . . . . 5292 1 139 . 1 1 20 20 SER HB3 H 1 3.808 0.005 . 1 . . . . . . . . 5292 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5292 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $TFE _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 . 5292 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 ASN HA H 1 4.18 0.005 . 1 . . . . . . . . 5292 2 2 . 1 1 1 1 ASN HB2 H 1 3.16 0.005 . 1 . . . . . . . . 5292 2 3 . 1 1 1 1 ASN HB3 H 1 3.16 0.005 . 1 . . . . . . . . 5292 2 4 . 1 1 1 1 ASN HD21 H 1 7.45 0.005 . 1 . . . . . . . . 5292 2 5 . 1 1 1 1 ASN HD22 H 1 7.06 0.005 . 1 . . . . . . . . 5292 2 6 . 1 1 2 2 LEU H H 1 8.472 0.005 . 1 . . . . . . . . 5292 2 7 . 1 1 2 2 LEU HA H 1 4.150 0.005 . 1 . . . . . . . . 5292 2 8 . 1 1 2 2 LEU HB2 H 1 1.757 0.005 . 1 . . . . . . . . 5292 2 9 . 1 1 2 2 LEU HB3 H 1 1.506 0.005 . 1 . . . . . . . . 5292 2 10 . 1 1 2 2 LEU HG H 1 1.757 0.005 . 1 . . . . . . . . 5292 2 11 . 1 1 2 2 LEU HD11 H 1 1.003 0.005 . 2 . . . . . . . . 5292 2 12 . 1 1 2 2 LEU HD12 H 1 1.003 0.005 . 2 . . . . . . . . 5292 2 13 . 1 1 2 2 LEU HD13 H 1 1.003 0.005 . 2 . . . . . . . . 5292 2 14 . 1 1 2 2 LEU HD21 H 1 0.927 0.005 . 2 . . . . . . . . 5292 2 15 . 1 1 2 2 LEU HD22 H 1 0.927 0.005 . 2 . . . . . . . . 5292 2 16 . 1 1 2 2 LEU HD23 H 1 0.927 0.005 . 2 . . . . . . . . 5292 2 17 . 1 1 3 3 TYR H H 1 8.600 0.005 . 1 . . . . . . . . 5292 2 18 . 1 1 3 3 TYR HA H 1 4.185 0.005 . 1 . . . . . . . . 5292 2 19 . 1 1 3 3 TYR HB2 H 1 3.145 0.005 . 2 . . . . . . . . 5292 2 20 . 1 1 3 3 TYR HB3 H 1 3.032 0.005 . 2 . . . . . . . . 5292 2 21 . 1 1 3 3 TYR HD1 H 1 7.020 0.005 . 1 . . . . . . . . 5292 2 22 . 1 1 3 3 TYR HD2 H 1 7.020 0.005 . 1 . . . . . . . . 5292 2 23 . 1 1 3 3 TYR HE1 H 1 6.805 0.005 . 1 . . . . . . . . 5292 2 24 . 1 1 3 3 TYR HE2 H 1 6.805 0.005 . 1 . . . . . . . . 5292 2 25 . 1 1 4 4 ILE H H 1 7.357 0.005 . 1 . . . . . . . . 5292 2 26 . 1 1 4 4 ILE HA H 1 3.832 0.005 . 1 . . . . . . . . 5292 2 27 . 1 1 4 4 ILE HB H 1 2.062 0.005 . 1 . . . . . . . . 5292 2 28 . 1 1 4 4 ILE HG12 H 1 1.652 0.005 . 2 . . . . . . . . 5292 2 29 . 1 1 4 4 ILE HG13 H 1 1.360 0.005 . 2 . . . . . . . . 5292 2 30 . 1 1 4 4 ILE HG21 H 1 0.990 0.005 . 1 . . . . . . . . 5292 2 31 . 1 1 4 4 ILE HG22 H 1 0.990 0.005 . 1 . . . . . . . . 5292 2 32 . 1 1 4 4 ILE HG23 H 1 0.990 0.005 . 1 . . . . . . . . 5292 2 33 . 1 1 4 4 ILE HD11 H 1 0.99 0.005 . 1 . . . . . . . . 5292 2 34 . 1 1 4 4 ILE HD12 H 1 0.99 0.005 . 1 . . . . . . . . 5292 2 35 . 1 1 4 4 ILE HD13 H 1 0.99 0.005 . 1 . . . . . . . . 5292 2 36 . 1 1 5 5 GLN H H 1 7.820 0.005 . 1 . . . . . . . . 5292 2 37 . 1 1 5 5 GLN HA H 1 3.905 0.005 . 1 . . . . . . . . 5292 2 38 . 1 1 5 5 GLN HB2 H 1 2.233 0.005 . 1 . . . . . . . . 5292 2 39 . 1 1 5 5 GLN HB3 H 1 2.233 0.005 . 1 . . . . . . . . 5292 2 40 . 1 1 5 5 GLN HG2 H 1 2.412 0.005 . 1 . . . . . . . . 5292 2 41 . 1 1 5 5 GLN HG3 H 1 2.412 0.005 . 1 . . . . . . . . 5292 2 42 . 1 1 5 5 GLN HE21 H 1 7.447 0.005 . 1 . . . . . . . . 5292 2 43 . 1 1 5 5 GLN HE22 H 1 6.915 0.005 . 1 . . . . . . . . 5292 2 44 . 1 1 6 6 TRP H H 1 8.198 0.005 . 1 . . . . . . . . 5292 2 45 . 1 1 6 6 TRP HA H 1 4.200 0.005 . 1 . . . . . . . . 5292 2 46 . 1 1 6 6 TRP HB2 H 1 3.663 0.005 . 2 . . . . . . . . 5292 2 47 . 1 1 6 6 TRP HB3 H 1 3.168 0.005 . 2 . . . . . . . . 5292 2 48 . 1 1 6 6 TRP HD1 H 1 7.057 0.005 . 1 . . . . . . . . 5292 2 49 . 1 1 6 6 TRP HE1 H 1 9.855 0.005 . 1 . . . . . . . . 5292 2 50 . 1 1 6 6 TRP HE3 H 1 7.269 0.005 . 1 . . . . . . . . 5292 2 51 . 1 1 6 6 TRP HZ2 H 1 7.215 0.005 . 1 . . . . . . . . 5292 2 52 . 1 1 6 6 TRP HZ3 H 1 7.155 0.005 . 1 . . . . . . . . 5292 2 53 . 1 1 6 6 TRP HH2 H 1 7.149 0.005 . 1 . . . . . . . . 5292 2 54 . 1 1 7 7 LEU H H 1 8.391 0.005 . 1 . . . . . . . . 5292 2 55 . 1 1 7 7 LEU HA H 1 3.478 0.005 . 1 . . . . . . . . 5292 2 56 . 1 1 7 7 LEU HB2 H 1 2.136 0.005 . 1 . . . . . . . . 5292 2 57 . 1 1 7 7 LEU HB3 H 1 1.378 0.005 . 1 . . . . . . . . 5292 2 58 . 1 1 7 7 LEU HG H 1 1.882 0.005 . 1 . . . . . . . . 5292 2 59 . 1 1 7 7 LEU HD11 H 1 0.986 0.005 . 1 . . . . . . . . 5292 2 60 . 1 1 7 7 LEU HD12 H 1 0.986 0.005 . 1 . . . . . . . . 5292 2 61 . 1 1 7 7 LEU HD13 H 1 0.986 0.005 . 1 . . . . . . . . 5292 2 62 . 1 1 7 7 LEU HD21 H 1 0.898 0.005 . 1 . . . . . . . . 5292 2 63 . 1 1 7 7 LEU HD22 H 1 0.898 0.005 . 1 . . . . . . . . 5292 2 64 . 1 1 7 7 LEU HD23 H 1 0.898 0.005 . 1 . . . . . . . . 5292 2 65 . 1 1 8 8 LYS H H 1 8.762 0.005 . 1 . . . . . . . . 5292 2 66 . 1 1 8 8 LYS HA H 1 3.917 0.005 . 1 . . . . . . . . 5292 2 67 . 1 1 8 8 LYS HB2 H 1 1.950 0.005 . 1 . . . . . . . . 5292 2 68 . 1 1 8 8 LYS HB3 H 1 1.950 0.005 . 1 . . . . . . . . 5292 2 69 . 1 1 8 8 LYS HG2 H 1 1.446 0.005 . 1 . . . . . . . . 5292 2 70 . 1 1 8 8 LYS HG3 H 1 1.446 0.005 . 1 . . . . . . . . 5292 2 71 . 1 1 8 8 LYS HD2 H 1 1.661 0.005 . 1 . . . . . . . . 5292 2 72 . 1 1 8 8 LYS HD3 H 1 1.661 0.005 . 1 . . . . . . . . 5292 2 73 . 1 1 8 8 LYS HE2 H 1 2.933 0.005 . 1 . . . . . . . . 5292 2 74 . 1 1 8 8 LYS HE3 H 1 2.933 0.005 . 1 . . . . . . . . 5292 2 75 . 1 1 9 9 ASP H H 1 7.883 0.005 . 1 . . . . . . . . 5292 2 76 . 1 1 9 9 ASP HA H 1 4.674 0.005 . 1 . . . . . . . . 5292 2 77 . 1 1 9 9 ASP HB2 H 1 3.074 0.005 . 1 . . . . . . . . 5292 2 78 . 1 1 9 9 ASP HB3 H 1 2.946 0.005 . 1 . . . . . . . . 5292 2 79 . 1 1 10 10 GLY H H 1 7.707 0.005 . 1 . . . . . . . . 5292 2 80 . 1 1 10 10 GLY HA2 H 1 3.487 0.005 . 1 . . . . . . . . 5292 2 81 . 1 1 10 10 GLY HA3 H 1 4.211 0.005 . 1 . . . . . . . . 5292 2 82 . 1 1 11 11 GLY H H 1 8.465 0.005 . 1 . . . . . . . . 5292 2 83 . 1 1 11 11 GLY HA2 H 1 0.948 0.005 . 1 . . . . . . . . 5292 2 84 . 1 1 11 11 GLY HA3 H 1 2.880 0.005 . 1 . . . . . . . . 5292 2 85 . 1 1 12 12 PRO HA H 1 4.539 0.005 . 1 . . . . . . . . 5292 2 86 . 1 1 12 12 PRO HB2 H 1 2.075 0.005 . 1 . . . . . . . . 5292 2 87 . 1 1 12 12 PRO HB3 H 1 2.501 0.005 . 1 . . . . . . . . 5292 2 88 . 1 1 12 12 PRO HG2 H 1 2.07 0.005 . 1 . . . . . . . . 5292 2 89 . 1 1 12 12 PRO HG3 H 1 2.16 0.005 . 1 . . . . . . . . 5292 2 90 . 1 1 12 12 PRO HD2 H 1 3.761 0.005 . 1 . . . . . . . . 5292 2 91 . 1 1 12 12 PRO HD3 H 1 3.294 0.005 . 1 . . . . . . . . 5292 2 92 . 1 1 13 13 SER H H 1 7.698 0.005 . 1 . . . . . . . . 5292 2 93 . 1 1 13 13 SER HA H 1 4.424 0.005 . 1 . . . . . . . . 5292 2 94 . 1 1 13 13 SER HB2 H 1 3.954 0.005 . 1 . . . . . . . . 5292 2 95 . 1 1 13 13 SER HB3 H 1 3.954 0.005 . 1 . . . . . . . . 5292 2 96 . 1 1 14 14 SER H H 1 8.162 0.005 . 1 . . . . . . . . 5292 2 97 . 1 1 14 14 SER HA H 1 4.221 0.005 . 1 . . . . . . . . 5292 2 98 . 1 1 14 14 SER HB2 H 1 3.654 0.005 . 1 . . . . . . . . 5292 2 99 . 1 1 14 14 SER HB3 H 1 3.954 0.005 . 1 . . . . . . . . 5292 2 100 . 1 1 14 14 SER HG H 1 4.70 0.005 . 1 . . . . . . . . 5292 2 101 . 1 1 15 15 GLY H H 1 7.905 0.005 . 1 . . . . . . . . 5292 2 102 . 1 1 15 15 GLY HA2 H 1 3.804 0.005 . 1 . . . . . . . . 5292 2 103 . 1 1 15 15 GLY HA3 H 1 4.300 0.005 . 1 . . . . . . . . 5292 2 104 . 1 1 16 16 ARG H H 1 8.141 0.005 . 1 . . . . . . . . 5292 2 105 . 1 1 16 16 ARG HA H 1 5.003 0.005 . 1 . . . . . . . . 5292 2 106 . 1 1 16 16 ARG HB2 H 1 1.956 0.005 . 2 . . . . . . . . 5292 2 107 . 1 1 16 16 ARG HB3 H 1 1.874 0.005 . 2 . . . . . . . . 5292 2 108 . 1 1 16 16 ARG HG2 H 1 1.779 0.005 . 2 . . . . . . . . 5292 2 109 . 1 1 16 16 ARG HG3 H 1 1.741 0.005 . 2 . . . . . . . . 5292 2 110 . 1 1 16 16 ARG HD2 H 1 3.290 0.005 . 2 . . . . . . . . 5292 2 111 . 1 1 16 16 ARG HD3 H 1 3.268 0.005 . 2 . . . . . . . . 5292 2 112 . 1 1 16 16 ARG HE H 1 7.450 0.005 . 1 . . . . . . . . 5292 2 113 . 1 1 17 17 PRO HA H 1 4.671 0.005 . 1 . . . . . . . . 5292 2 114 . 1 1 17 17 PRO HB2 H 1 1.856 0.005 . 1 . . . . . . . . 5292 2 115 . 1 1 17 17 PRO HB3 H 1 2.277 0.005 . 1 . . . . . . . . 5292 2 116 . 1 1 17 17 PRO HG2 H 1 2.014 0.005 . 1 . . . . . . . . 5292 2 117 . 1 1 17 17 PRO HG3 H 1 2.014 0.005 . 1 . . . . . . . . 5292 2 118 . 1 1 17 17 PRO HD2 H 1 3.683 0.005 . 1 . . . . . . . . 5292 2 119 . 1 1 17 17 PRO HD3 H 1 3.884 0.005 . 1 . . . . . . . . 5292 2 120 . 1 1 18 18 PRO HA H 1 2.655 0.005 . 1 . . . . . . . . 5292 2 121 . 1 1 18 18 PRO HB2 H 1 1.329 0.005 . 1 . . . . . . . . 5292 2 122 . 1 1 18 18 PRO HB3 H 1 0.412 0.005 . 1 . . . . . . . . 5292 2 123 . 1 1 18 18 PRO HG2 H 1 1.723 0.005 . 1 . . . . . . . . 5292 2 124 . 1 1 18 18 PRO HG3 H 1 1.494 0.005 . 1 . . . . . . . . 5292 2 125 . 1 1 18 18 PRO HD2 H 1 3.452 0.005 . 1 . . . . . . . . 5292 2 126 . 1 1 18 18 PRO HD3 H 1 3.379 0.005 . 1 . . . . . . . . 5292 2 127 . 1 1 19 19 PRO HA H 1 4.358 0.005 . 1 . . . . . . . . 5292 2 128 . 1 1 19 19 PRO HB2 H 1 1.963 0.005 . 1 . . . . . . . . 5292 2 129 . 1 1 19 19 PRO HB3 H 1 2.170 0.005 . 1 . . . . . . . . 5292 2 130 . 1 1 19 19 PRO HG2 H 1 1.826 0.005 . 1 . . . . . . . . 5292 2 131 . 1 1 19 19 PRO HG3 H 1 1.826 0.005 . 1 . . . . . . . . 5292 2 132 . 1 1 19 19 PRO HD2 H 1 2.922 0.005 . 1 . . . . . . . . 5292 2 133 . 1 1 19 19 PRO HD3 H 1 3.153 0.005 . 1 . . . . . . . . 5292 2 134 . 1 1 20 20 SER H H 1 7.852 0.005 . 1 . . . . . . . . 5292 2 135 . 1 1 20 20 SER HA H 1 4.361 0.005 . 1 . . . . . . . . 5292 2 136 . 1 1 20 20 SER HB2 H 1 3.889 0.005 . 2 . . . . . . . . 5292 2 137 . 1 1 20 20 SER HB3 H 1 3.813 0.005 . 2 . . . . . . . . 5292 2 stop_ save_