data_4125 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4125 _Entry.Title ; The NMR Structure of 31mer RNA Domain of Escherichia Coli RNase P RNA Using Its Non-uniformly Deuterium Labelled Counterpart [the 'NMR-window' concept] ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-03-17 _Entry.Accession_date 1998-03-17 _Entry.Last_release_date 1998-03-17 _Entry.Original_release_date 1998-03-17 _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 C. Glemarec . . . . 4125 2 J. Kufel . . . . 4125 3 A. Foldesi . . . . 4125 4 T. Maltseva . . . . 4125 5 A. Sandstrom . . . . 4125 6 L. Kirsebom . A. . . 4125 7 J. Chattopadhyaya . . . . 4125 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4125 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 192 4125 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 . . 1998-04-07 . original BMRB . 4125 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4125 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96251082 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Glemarec, C., Kufel, J., Foldesi, A., Maltseva, T., Sandstrom, A., Kirsebom, L., Chattopadhyaya, J., "The NMR Structure of 31mer RNA Domain of Escherichia Coli RNase P RNA Using Its Non-uniformly Deuterium Labelled Counterpart [the 'NMR-window' concept]," Nucleic Acids Res. 24, 2022-2035 (1996). ; _Citation.Title ; The NMR Structure of 31mer RNA Domain of Escherichia Coli RNase P RNA Using Its Non-uniformly Deuterium Labelled Counterpart [the 'NMR-window' concept] ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic Acids Research' _Citation.Journal_volume 24 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2022 _Citation.Page_last 2035 _Citation.Year 1996 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Glemarec . . . . 4125 1 2 J. Kufel . . . . 4125 1 3 A. Foldesi . . . . 4125 1 4 T. Maltseva . . . . 4125 1 5 A. Sandstrom . . . . 4125 1 6 L. Kirsebom . A. . . 4125 1 7 J. Chattopadhyaya . . . . 4125 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNase P' 4125 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RNA_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RNA_1 _Assembly.Entry_ID 4125 _Assembly.ID 1 _Assembly.Name 'RNAse P RNA_1' _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 . _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 4125 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 31mer_RNA_1 1 $31mer_RNA_1 . . . native . . . . . 4125 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RNA_1 abbreviation 4125 1 'RNAse P RNA_1' system 4125 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_31mer_RNA_1 _Entity.Sf_category entity _Entity.Sf_framecode 31mer_RNA_1 _Entity.Entry_ID 4125 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 31mer_RNA_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGCCAAAUAGGGGCUUCGGC CCGGGUAGGCU ; _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 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 31mer_RNA_1 abbreviation 4125 1 31mer_RNA_1 common 4125 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 . G . 4125 1 2 . G . 4125 1 3 . C . 4125 1 4 . C . 4125 1 5 . A . 4125 1 6 . A . 4125 1 7 . A . 4125 1 8 . U . 4125 1 9 . A . 4125 1 10 . G . 4125 1 11 . G . 4125 1 12 . G . 4125 1 13 . G . 4125 1 14 . C . 4125 1 15 . U . 4125 1 16 . U . 4125 1 17 . C . 4125 1 18 . G . 4125 1 19 . G . 4125 1 20 . C . 4125 1 21 . C . 4125 1 22 . C . 4125 1 23 . G . 4125 1 24 . G . 4125 1 25 . G . 4125 1 26 . U . 4125 1 27 . A . 4125 1 28 . G . 4125 1 29 . G . 4125 1 30 . C . 4125 1 31 . U . 4125 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 . G 1 1 4125 1 . G 2 2 4125 1 . C 3 3 4125 1 . C 4 4 4125 1 . A 5 5 4125 1 . A 6 6 4125 1 . A 7 7 4125 1 . U 8 8 4125 1 . A 9 9 4125 1 . G 10 10 4125 1 . G 11 11 4125 1 . G 12 12 4125 1 . G 13 13 4125 1 . C 14 14 4125 1 . U 15 15 4125 1 . U 16 16 4125 1 . C 17 17 4125 1 . G 18 18 4125 1 . G 19 19 4125 1 . C 20 20 4125 1 . C 21 21 4125 1 . C 22 22 4125 1 . G 23 23 4125 1 . G 24 24 4125 1 . G 25 25 4125 1 . U 26 26 4125 1 . A 27 27 4125 1 . G 28 28 4125 1 . G 29 29 4125 1 . C 30 30 4125 1 . U 31 31 4125 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 4125 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $31mer_RNA_1 . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . 4125 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 4125 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $31mer_RNA_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . 4125 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4125 _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 31mer_RNA_1 [U-99%-2H]-C . . 1 $31mer_RNA_1 . . 1 . . mM . . . . 4125 1 2 NaHPO4 . . . . . . . 10 . . mM . . . . 4125 1 3 NaCl . . . . . . . 50 . . mM . . . . 4125 1 4 EDTA . . . . . . . 0.1 . . mM . . . . 4125 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4125 _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 31mer_RNA_1 . . . 1 $31mer_RNA_1 . . 1 . . mM . . . . 4125 2 2 NaHPO4 . . . . . . . 10 . . mM . . . . 4125 2 3 NaCl . . . . . . . 50 . . mM . . . . 4125 2 4 EDTA . . . . . . . 0.1 . . mM . . . . 4125 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4125 _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 6.2 . n/a 4125 1 temperature 299 . K 4125 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4125 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 4125 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 4125 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 4125 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4125 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_one _Chem_shift_reference.Entry_ID 4125 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . ppm . . . . . . . . . 4125 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4125 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_one _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_one . 4125 1 . . 2 $sample_two . 4125 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 G H8 H 1 8.20 . . 1 . . . . . . . . 4125 1 2 . 1 1 1 1 G H1' H 1 5.91 . . 1 . . . . . . . . 4125 1 3 . 1 1 1 1 G H2' H 1 4.99 . . 1 . . . . . . . . 4125 1 4 . 1 1 1 1 G H3' H 1 4.72 . . 1 . . . . . . . . 4125 1 5 . 1 1 1 1 G H4' H 1 4.62 . . 1 . . . . . . . . 4125 1 6 . 1 1 1 1 G H5' H 1 4.48 . . 2 . . . . . . . . 4125 1 7 . 1 1 1 1 G H5'' H 1 4.32 . . 2 . . . . . . . . 4125 1 8 . 1 1 2 2 G H1 H 1 13.51 . . 1 . . . . . . . . 4125 1 9 . 1 1 2 2 G H8 H 1 7.75 . . 1 . . . . . . . . 4125 1 10 . 1 1 2 2 G H1' H 1 5.89 . . 1 . . . . . . . . 4125 1 11 . 1 1 2 2 G H2' H 1 4.63 . . 1 . . . . . . . . 4125 1 12 . 1 1 2 2 G H3' H 1 4.56 . . 1 . . . . . . . . 4125 1 13 . 1 1 2 2 G H4' H 1 4.26 . . 1 . . . . . . . . 4125 1 14 . 1 1 3 3 C H41 H 1 8.63 . . 2 . . . . . . . . 4125 1 15 . 1 1 3 3 C H42 H 1 6.96 . . 2 . . . . . . . . 4125 1 16 . 1 1 3 3 C H5 H 1 5.28 . . 1 . . . . . . . . 4125 1 17 . 1 1 3 3 C H6 H 1 7.75 . . 1 . . . . . . . . 4125 1 18 . 1 1 3 3 C H1' H 1 5.61 . . 1 . . . . . . . . 4125 1 19 . 1 1 3 3 C H2' H 1 4.46 . . 1 . . . . . . . . 4125 1 20 . 1 1 4 4 C H41 H 1 7.91 . . 2 . . . . . . . . 4125 1 21 . 1 1 4 4 C H42 H 1 6.70 . . 2 . . . . . . . . 4125 1 22 . 1 1 4 4 C H5 H 1 5.39 . . 1 . . . . . . . . 4125 1 23 . 1 1 4 4 C H6 H 1 7.59 . . 1 . . . . . . . . 4125 1 24 . 1 1 4 4 C H1' H 1 5.51 . . 1 . . . . . . . . 4125 1 25 . 1 1 4 4 C H2' H 1 4.62 . . 1 . . . . . . . . 4125 1 26 . 1 1 4 4 C H3' H 1 4.43 . . 1 . . . . . . . . 4125 1 27 . 1 1 4 4 C H4' H 1 4.11 . . 1 . . . . . . . . 4125 1 28 . 1 1 5 5 A H2 H 1 7.52 . . 1 . . . . . . . . 4125 1 29 . 1 1 5 5 A H8 H 1 8.03 . . 1 . . . . . . . . 4125 1 30 . 1 1 5 5 A H1' H 1 5.83 . . 1 . . . . . . . . 4125 1 31 . 1 1 5 5 A H2' H 1 4.48 . . 1 . . . . . . . . 4125 1 32 . 1 1 5 5 A H3' H 1 4.18 . . 1 . . . . . . . . 4125 1 33 . 1 1 6 6 A H2 H 1 7.64 . . 1 . . . . . . . . 4125 1 34 . 1 1 6 6 A H8 H 1 7.73 . . 1 . . . . . . . . 4125 1 35 . 1 1 6 6 A H1' H 1 5.55 . . 1 . . . . . . . . 4125 1 36 . 1 1 6 6 A H2' H 1 4.25 . . 1 . . . . . . . . 4125 1 37 . 1 1 6 6 A H3' H 1 4.31 . . 1 . . . . . . . . 4125 1 38 . 1 1 7 7 A H8 H 1 7.91 . . 1 . . . . . . . . 4125 1 39 . 1 1 7 7 A H1' H 1 5.64 . . 1 . . . . . . . . 4125 1 40 . 1 1 7 7 A H2' H 1 4.47 . . 1 . . . . . . . . 4125 1 41 . 1 1 7 7 A H3' H 1 4.61 . . 1 . . . . . . . . 4125 1 42 . 1 1 7 7 A H4' H 1 4.42 . . 1 . . . . . . . . 4125 1 43 . 1 1 7 7 A H5' H 1 4.08 . . 2 . . . . . . . . 4125 1 44 . 1 1 8 8 U H5 H 1 5.49 . . 1 . . . . . . . . 4125 1 45 . 1 1 8 8 U H6 H 1 7.55 . . 1 . . . . . . . . 4125 1 46 . 1 1 8 8 U H1' H 1 5.68 . . 1 . . . . . . . . 4125 1 47 . 1 1 8 8 U H2' H 1 4.25 . . 1 . . . . . . . . 4125 1 48 . 1 1 8 8 U H3' H 1 4.56 . . 1 . . . . . . . . 4125 1 49 . 1 1 8 8 U H4' H 1 4.33 . . 1 . . . . . . . . 4125 1 50 . 1 1 9 9 A H2 H 1 8.12 . . 1 . . . . . . . . 4125 1 51 . 1 1 9 9 A H8 H 1 8.12 . . 1 . . . . . . . . 4125 1 52 . 1 1 9 9 A H1' H 1 5.79 . . 1 . . . . . . . . 4125 1 53 . 1 1 9 9 A H2' H 1 4.71 . . 1 . . . . . . . . 4125 1 54 . 1 1 9 9 A H3' H 1 4.62 . . 1 . . . . . . . . 4125 1 55 . 1 1 9 9 A H4' H 1 4.43 . . 1 . . . . . . . . 4125 1 56 . 1 1 9 9 A H5' H 1 4.12 . . 2 . . . . . . . . 4125 1 57 . 1 1 10 10 G H8 H 1 7.86 . . 1 . . . . . . . . 4125 1 58 . 1 1 10 10 G H1' H 1 5.86 . . 1 . . . . . . . . 4125 1 59 . 1 1 10 10 G H2' H 1 4.79 . . 1 . . . . . . . . 4125 1 60 . 1 1 10 10 G H3' H 1 4.59 . . 1 . . . . . . . . 4125 1 61 . 1 1 10 10 G H4' H 1 4.35 . . 1 . . . . . . . . 4125 1 62 . 1 1 10 10 G H5' H 1 4.26 . . 2 . . . . . . . . 4125 1 63 . 1 1 11 11 G H8 H 1 7.86 . . 1 . . . . . . . . 4125 1 64 . 1 1 11 11 G H1' H 1 5.62 . . 1 . . . . . . . . 4125 1 65 . 1 1 11 11 G H2' H 1 4.73 . . 1 . . . . . . . . 4125 1 66 . 1 1 11 11 G H3' H 1 4.43 . . 1 . . . . . . . . 4125 1 67 . 1 1 11 11 G H4' H 1 4.53 . . 1 . . . . . . . . 4125 1 68 . 1 1 12 12 G H1 H 1 12.75 . . 1 . . . . . . . . 4125 1 69 . 1 1 12 12 G H8 H 1 7.38 . . 1 . . . . . . . . 4125 1 70 . 1 1 12 12 G H1' H 1 5.82 . . 1 . . . . . . . . 4125 1 71 . 1 1 12 12 G H2' H 1 4.59 . . 1 . . . . . . . . 4125 1 72 . 1 1 12 12 G H3' H 1 4.52 . . 1 . . . . . . . . 4125 1 73 . 1 1 12 12 G H4' H 1 4.18 . . 1 . . . . . . . . 4125 1 74 . 1 1 13 13 G H1 H 1 13.34 . . 1 . . . . . . . . 4125 1 75 . 1 1 13 13 G H8 H 1 7.31 . . 1 . . . . . . . . 4125 1 76 . 1 1 13 13 G H1' H 1 5.81 . . 1 . . . . . . . . 4125 1 77 . 1 1 13 13 G H2' H 1 4.57 . . 1 . . . . . . . . 4125 1 78 . 1 1 13 13 G H3' H 1 4.49 . . 1 . . . . . . . . 4125 1 79 . 1 1 13 13 G H4' H 1 4.09 . . 1 . . . . . . . . 4125 1 80 . 1 1 14 14 C H41 H 1 8.93 . . 2 . . . . . . . . 4125 1 81 . 1 1 14 14 C H42 H 1 6.48 . . 2 . . . . . . . . 4125 1 82 . 1 1 14 14 C H5 H 1 5.26 . . 1 . . . . . . . . 4125 1 83 . 1 1 14 14 C H6 H 1 7.42 . . 1 . . . . . . . . 4125 1 84 . 1 1 14 14 C H1' H 1 5.55 . . 1 . . . . . . . . 4125 1 85 . 1 1 14 14 C H2' H 1 4.56 . . 1 . . . . . . . . 4125 1 86 . 1 1 14 14 C H3' H 1 4.24 . . 1 . . . . . . . . 4125 1 87 . 1 1 14 14 C H4' H 1 4.06 . . 1 . . . . . . . . 4125 1 88 . 1 1 15 15 U H5 H 1 5.76 . . 1 . . . . . . . . 4125 1 89 . 1 1 15 15 U H6 H 1 7.83 . . 1 . . . . . . . . 4125 1 90 . 1 1 15 15 U H1' H 1 5.72 . . 1 . . . . . . . . 4125 1 91 . 1 1 15 15 U H2' H 1 3.85 . . 1 . . . . . . . . 4125 1 92 . 1 1 15 15 U H3' H 1 4.41 . . 1 . . . . . . . . 4125 1 93 . 1 1 15 15 U H4' H 1 4.56 . . 1 . . . . . . . . 4125 1 94 . 1 1 16 16 U H5 H 1 5.90 . . 1 . . . . . . . . 4125 1 95 . 1 1 16 16 U H6 H 1 8.07 . . 1 . . . . . . . . 4125 1 96 . 1 1 16 16 U H1' H 1 6.14 . . 1 . . . . . . . . 4125 1 97 . 1 1 16 16 U H2' H 1 4.72 . . 1 . . . . . . . . 4125 1 98 . 1 1 16 16 U H3' H 1 4.27 . . 1 . . . . . . . . 4125 1 99 . 1 1 16 16 U H4' H 1 4.06 . . 1 . . . . . . . . 4125 1 100 . 1 1 17 17 C H5 H 1 6.18 . . 1 . . . . . . . . 4125 1 101 . 1 1 17 17 C H6 H 1 7.74 . . 1 . . . . . . . . 4125 1 102 . 1 1 17 17 C H1' H 1 6.01 . . 1 . . . . . . . . 4125 1 103 . 1 1 17 17 C H2' H 1 4.14 . . 1 . . . . . . . . 4125 1 104 . 1 1 17 17 C H3' H 1 4.53 . . 1 . . . . . . . . 4125 1 105 . 1 1 17 17 C H4' H 1 3.83 . . 1 . . . . . . . . 4125 1 106 . 1 1 17 17 C H5' H 1 3.65 . . 2 . . . . . . . . 4125 1 107 . 1 1 17 17 C H5'' H 1 3.83 . . 2 . . . . . . . . 4125 1 108 . 1 1 18 18 G H1 H 1 9.92 . . 1 . . . . . . . . 4125 1 109 . 1 1 18 18 G H8 H 1 7.89 . . 1 . . . . . . . . 4125 1 110 . 1 1 18 18 G H1' H 1 6.00 . . 2 . . . . . . . . 4125 1 111 . 1 1 18 18 G H2' H 1 4.89 . . 1 . . . . . . . . 4125 1 112 . 1 1 18 18 G H3' H 1 5.65 . . 1 . . . . . . . . 4125 1 113 . 1 1 18 18 G H4' H 1 4.44 . . 1 . . . . . . . . 4125 1 114 . 1 1 18 18 G H5' H 1 4.22 . . 2 . . . . . . . . 4125 1 115 . 1 1 18 18 G H5'' H 1 3.83 . . 2 . . . . . . . . 4125 1 116 . 1 1 19 19 G H1 H 1 13.60 . . 1 . . . . . . . . 4125 1 117 . 1 1 19 19 G H8 H 1 8.33 . . 1 . . . . . . . . 4125 1 118 . 1 1 19 19 G H1' H 1 4.44 . . 1 . . . . . . . . 4125 1 119 . 1 1 19 19 G H2' H 1 4.44 . . 1 . . . . . . . . 4125 1 120 . 1 1 19 19 G H3' H 1 4.31 . . 1 . . . . . . . . 4125 1 121 . 1 1 20 20 C H41 H 1 8.91 . . 2 . . . . . . . . 4125 1 122 . 1 1 20 20 C H42 H 1 6.98 . . 2 . . . . . . . . 4125 1 123 . 1 1 20 20 C H5 H 1 5.31 . . 1 . . . . . . . . 4125 1 124 . 1 1 20 20 C H6 H 1 7.76 . . 1 . . . . . . . . 4125 1 125 . 1 1 20 20 C H1' H 1 5.57 . . 1 . . . . . . . . 4125 1 126 . 1 1 20 20 C H2' H 1 4.49 . . 1 . . . . . . . . 4125 1 127 . 1 1 20 20 C H3' H 1 4.45 . . 1 . . . . . . . . 4125 1 128 . 1 1 20 20 C H4' H 1 4.43 . . 1 . . . . . . . . 4125 1 129 . 1 1 21 21 C H41 H 1 8.57 . . 1 . . . . . . . . 4125 1 130 . 1 1 21 21 C H42 H 1 6.98 . . 1 . . . . . . . . 4125 1 131 . 1 1 21 21 C H5 H 1 5.58 . . 1 . . . . . . . . 4125 1 132 . 1 1 21 21 C H6 H 1 7.82 . . 1 . . . . . . . . 4125 1 133 . 1 1 21 21 C H1' H 1 5.54 . . 1 . . . . . . . . 4125 1 134 . 1 1 21 21 C H2' H 1 4.42 . . 1 . . . . . . . . 4125 1 135 . 1 1 21 21 C H4' H 1 4.09 . . 1 . . . . . . . . 4125 1 136 . 1 1 22 22 C H5 H 1 5.45 . . 1 . . . . . . . . 4125 1 137 . 1 1 22 22 C H6 H 1 7.64 . . 1 . . . . . . . . 4125 1 138 . 1 1 22 22 C H1' H 1 5.49 . . 1 . . . . . . . . 4125 1 139 . 1 1 22 22 C H2' H 1 4.52 . . 1 . . . . . . . . 4125 1 140 . 1 1 22 22 C H3' H 1 4.39 . . 1 . . . . . . . . 4125 1 141 . 1 1 22 22 C H4' H 1 4.11 . . 1 . . . . . . . . 4125 1 142 . 1 1 23 23 G H1' H 1 5.61 . . 1 . . . . . . . . 4125 1 143 . 1 1 23 23 G H2' H 1 4.37 . . 1 . . . . . . . . 4125 1 144 . 1 1 23 23 G H3' H 1 4.13 . . 1 . . . . . . . . 4125 1 145 . 1 1 24 24 G H8 H 1 7.63 . . 1 . . . . . . . . 4125 1 146 . 1 1 24 24 G H1' H 1 5.45 . . 1 . . . . . . . . 4125 1 147 . 1 1 24 24 G H2' H 1 4.43 . . 1 . . . . . . . . 4125 1 148 . 1 1 24 24 G H3' H 1 4.35 . . 1 . . . . . . . . 4125 1 149 . 1 1 25 25 G H8 H 1 7.81 . . 1 . . . . . . . . 4125 1 150 . 1 1 25 25 G H1' H 1 5.62 . . 1 . . . . . . . . 4125 1 151 . 1 1 25 25 G H2' H 1 4.65 . . 1 . . . . . . . . 4125 1 152 . 1 1 25 25 G H3' H 1 4.74 . . 1 . . . . . . . . 4125 1 153 . 1 1 26 26 U H5 H 1 5.66 . . 1 . . . . . . . . 4125 1 154 . 1 1 26 26 U H6 H 1 7.72 . . 1 . . . . . . . . 4125 1 155 . 1 1 26 26 U H1' H 1 5.83 . . 1 . . . . . . . . 4125 1 156 . 1 1 26 26 U H2' H 1 4.48 . . 1 . . . . . . . . 4125 1 157 . 1 1 26 26 U H3' H 1 4.69 . . 1 . . . . . . . . 4125 1 158 . 1 1 27 27 A H2 H 1 7.88 . . 1 . . . . . . . . 4125 1 159 . 1 1 27 27 A H8 H 1 8.22 . . 1 . . . . . . . . 4125 1 160 . 1 1 27 27 A H1' H 1 6.07 . . 1 . . . . . . . . 4125 1 161 . 1 1 27 27 A H2' H 1 4.86 . . 1 . . . . . . . . 4125 1 162 . 1 1 27 27 A H3' H 1 4.70 . . 1 . . . . . . . . 4125 1 163 . 1 1 27 27 A H4' H 1 4.43 . . 1 . . . . . . . . 4125 1 164 . 1 1 27 27 A H5' H 1 4.31 . . 1 . . . . . . . . 4125 1 165 . 1 1 27 27 A H5'' H 1 4.31 . . 1 . . . . . . . . 4125 1 166 . 1 1 28 28 G H8 H 1 7.70 . . 1 . . . . . . . . 4125 1 167 . 1 1 28 28 G H1' H 1 5.20 . . 1 . . . . . . . . 4125 1 168 . 1 1 28 28 G H2' H 1 4.63 . . 1 . . . . . . . . 4125 1 169 . 1 1 28 28 G H3' H 1 4.48 . . 1 . . . . . . . . 4125 1 170 . 1 1 28 28 G H4' H 1 4.40 . . 1 . . . . . . . . 4125 1 171 . 1 1 28 28 G H5' H 1 4.20 . . 1 . . . . . . . . 4125 1 172 . 1 1 28 28 G H5'' H 1 4.20 . . 1 . . . . . . . . 4125 1 173 . 1 1 29 29 G H1 H 1 13.25 . . 1 . . . . . . . . 4125 1 174 . 1 1 29 29 G H8 H 1 7.34 . . 1 . . . . . . . . 4125 1 175 . 1 1 29 29 G H1' H 1 5.78 . . 1 . . . . . . . . 4125 1 176 . 1 1 29 29 G H2' H 1 4.50 . . 1 . . . . . . . . 4125 1 177 . 1 1 29 29 G H3' H 1 4.63 . . 1 . . . . . . . . 4125 1 178 . 1 1 29 29 G H4' H 1 4.09 . . 1 . . . . . . . . 4125 1 179 . 1 1 29 29 G H5' H 1 4.21 . . 2 . . . . . . . . 4125 1 180 . 1 1 30 30 C H41 H 1 8.61 . . 2 . . . . . . . . 4125 1 181 . 1 1 30 30 C H42 H 1 7.00 . . 2 . . . . . . . . 4125 1 182 . 1 1 30 30 C H5 H 1 5.18 . . 1 . . . . . . . . 4125 1 183 . 1 1 30 30 C H6 H 1 7.55 . . 1 . . . . . . . . 4125 1 184 . 1 1 30 30 C H1' H 1 5.59 . . 1 . . . . . . . . 4125 1 185 . 1 1 30 30 C H2' H 1 4.44 . . 1 . . . . . . . . 4125 1 186 . 1 1 30 30 C H3' H 1 4.33 . . 1 . . . . . . . . 4125 1 187 . 1 1 30 30 C H4' H 1 4.51 . . 1 . . . . . . . . 4125 1 188 . 1 1 31 31 U H5 H 1 5.67 . . 1 . . . . . . . . 4125 1 189 . 1 1 31 31 U H6 H 1 7.81 . . 1 . . . . . . . . 4125 1 190 . 1 1 31 31 U H1' H 1 5.84 . . 1 . . . . . . . . 4125 1 191 . 1 1 31 31 U H2' H 1 4.20 . . 1 . . . . . . . . 4125 1 192 . 1 1 31 31 U H3' H 1 4.05 . . 1 . . . . . . . . 4125 1 stop_ save_