data_54027 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 54027 _Entry.Title ; Backbone and side chain chemical shift assignments of C-terminal domain of Bacillus subtilis NusG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-09-18 _Entry.Accession_date 2026-09-18 _Entry.Last_release_date 2026-09-18 _Entry.Original_release_date 2026-09-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Reid Peterson . E. . 0009-0000-7107-7097 54027 2 Thao Tran . N.P. . . 54027 3 Swathi Sevugan . A. . . 54027 4 Wade Winkler . C. . . 54027 5 David Fushman . . . 0000-0002-6634-8056 54027 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry and Biochemistry' . 54027 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 54027 spectral_peak_list 2 54027 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 53 54027 '1H chemical shifts' 281 54027 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 . . 2026-10-17 . original BMRB . 54027 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 54026 'Backbone and side chain chemical shift assignments of Bacillus subtilis NusB' 54027 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 54027 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The core interaction network of transcription elongation factors is broadly maintained across diverse bacteria ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev mBio _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Thao Tran . N.P. . . 54027 1 2 Reid Peterson . E. . . 54027 1 3 Xiaofang Jiang . . . . 54027 1 4 Swathi Sevugan . A. . . 54027 1 5 Sandeepani Ranaweera . A. . . 54027 1 6 Paul Babitzke . A. . . 54027 1 7 David Fushman . . . . 54027 1 8 Wade Winkler . C. . . 54027 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 54027 _Assembly.ID 1 _Assembly.Name 'Bacillus subtilis NusG CTD monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 6815.75 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Bacillus subtilis NusG CTD' 1 $entity_1 . . yes native no no . . . 54027 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP Q06795 . . . . . . 54027 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 54027 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; KTDIDFELKETVKVIDGPFA NFTGSIEEIDYDKSKVKVFV NMFGRETPVELEFTQIDKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_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 1 119 LYS . 54027 1 2 120 THR . 54027 1 3 121 ASP . 54027 1 4 122 ILE . 54027 1 5 123 ASP . 54027 1 6 124 PHE . 54027 1 7 125 GLU . 54027 1 8 126 LEU . 54027 1 9 127 LYS . 54027 1 10 128 GLU . 54027 1 11 129 THR . 54027 1 12 130 VAL . 54027 1 13 131 LYS . 54027 1 14 132 VAL . 54027 1 15 133 ILE . 54027 1 16 134 ASP . 54027 1 17 135 GLY . 54027 1 18 136 PRO . 54027 1 19 137 PHE . 54027 1 20 138 ALA . 54027 1 21 139 ASN . 54027 1 22 140 PHE . 54027 1 23 141 THR . 54027 1 24 142 GLY . 54027 1 25 143 SER . 54027 1 26 144 ILE . 54027 1 27 145 GLU . 54027 1 28 146 GLU . 54027 1 29 147 ILE . 54027 1 30 148 ASP . 54027 1 31 149 TYR . 54027 1 32 150 ASP . 54027 1 33 151 LYS . 54027 1 34 152 SER . 54027 1 35 153 LYS . 54027 1 36 154 VAL . 54027 1 37 155 LYS . 54027 1 38 156 VAL . 54027 1 39 157 PHE . 54027 1 40 158 VAL . 54027 1 41 159 ASN . 54027 1 42 160 MET . 54027 1 43 161 PHE . 54027 1 44 162 GLY . 54027 1 45 163 ARG . 54027 1 46 164 GLU . 54027 1 47 165 THR . 54027 1 48 166 PRO . 54027 1 49 167 VAL . 54027 1 50 168 GLU . 54027 1 51 169 LEU . 54027 1 52 170 GLU . 54027 1 53 171 PHE . 54027 1 54 172 THR . 54027 1 55 173 GLN . 54027 1 56 174 ILE . 54027 1 57 175 ASP . 54027 1 58 176 LYS . 54027 1 59 177 LEU . 54027 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 . LYS 1 1 54027 1 . THR 2 2 54027 1 . ASP 3 3 54027 1 . ILE 4 4 54027 1 . ASP 5 5 54027 1 . PHE 6 6 54027 1 . GLU 7 7 54027 1 . LEU 8 8 54027 1 . LYS 9 9 54027 1 . GLU 10 10 54027 1 . THR 11 11 54027 1 . VAL 12 12 54027 1 . LYS 13 13 54027 1 . VAL 14 14 54027 1 . ILE 15 15 54027 1 . ASP 16 16 54027 1 . GLY 17 17 54027 1 . PRO 18 18 54027 1 . PHE 19 19 54027 1 . ALA 20 20 54027 1 . ASN 21 21 54027 1 . PHE 22 22 54027 1 . THR 23 23 54027 1 . GLY 24 24 54027 1 . SER 25 25 54027 1 . ILE 26 26 54027 1 . GLU 27 27 54027 1 . GLU 28 28 54027 1 . ILE 29 29 54027 1 . ASP 30 30 54027 1 . TYR 31 31 54027 1 . ASP 32 32 54027 1 . LYS 33 33 54027 1 . SER 34 34 54027 1 . LYS 35 35 54027 1 . VAL 36 36 54027 1 . LYS 37 37 54027 1 . VAL 38 38 54027 1 . PHE 39 39 54027 1 . VAL 40 40 54027 1 . ASN 41 41 54027 1 . MET 42 42 54027 1 . PHE 43 43 54027 1 . GLY 44 44 54027 1 . ARG 45 45 54027 1 . GLU 46 46 54027 1 . THR 47 47 54027 1 . PRO 48 48 54027 1 . VAL 49 49 54027 1 . GLU 50 50 54027 1 . LEU 51 51 54027 1 . GLU 52 52 54027 1 . PHE 53 53 54027 1 . THR 54 54 54027 1 . GLN 55 55 54027 1 . ILE 56 56 54027 1 . ASP 57 57 54027 1 . LYS 58 58 54027 1 . LEU 59 59 54027 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 54027 _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 $entity_1 . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . 54027 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 54027 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . 'T7 express' . . . 54027 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 54027 _Sample.ID 1 _Sample.Name '15N Bacillus subtilis NusG CTD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '92.5% H2O/7.5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bacillus subtilis NusG CTD' '[U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 54027 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 54027 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 54027 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 54027 1 5 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 54027 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 54027 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Tris buffer pH8 at 296K' _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 'ionic strength' 0.1 . M 54027 1 pH 8 . pH 54027 1 pressure 1 . atm 54027 1 temperature 296 . K 54027 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 54027 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 54027 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 54027 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 54027 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 54027 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 54027 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 54027 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details 'Equipped with cryoprobes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 54027 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54027 1 2 '3D 1H-15N TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54027 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 54027 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Backbone and side chain chemical shifts of Bacillus subtilis NusG CTD' _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 water protons . . . . ppm 4.7 internal direct 1 . . . . . 54027 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1013291 . . . . . 54027 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 54027 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BsNusG CTD Assigned Chemical Shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HMQC' . . . 54027 1 2 '3D 1H-15N TOCSY' . . . 54027 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 54027 1 2 $software_2 . . 54027 1 3 $software_3 . . 54027 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4 4 ILE H H 1 7.798 1 . 1 . . . . . 122 ILE HN . 54027 1 2 . 1 . 1 4 4 ILE HA H 1 4.063 1 . 1 . . . . . 122 ILE HA . 54027 1 3 . 1 . 1 4 4 ILE HB H 1 1.66 1 . 1 . . . . . 122 ILE HB . 54027 1 4 . 1 . 1 4 4 ILE HD11 H 1 0.589 1 . 1 . . . . . 122 ILE QD1 . 54027 1 5 . 1 . 1 4 4 ILE HD12 H 1 0.589 1 . 1 . . . . . 122 ILE QD1 . 54027 1 6 . 1 . 1 4 4 ILE HD13 H 1 0.589 1 . 1 . . . . . 122 ILE QD1 . 54027 1 7 . 1 . 1 4 4 ILE N N 15 118.61 1 . 1 . . . . . 122 ILE N . 54027 1 8 . 1 . 1 5 5 ASP H H 1 8.047 1 . 1 . . . . . 123 ASP HN . 54027 1 9 . 1 . 1 5 5 ASP HA H 1 4.548 1 . 1 . . . . . 123 ASP HA . 54027 1 10 . 1 . 1 5 5 ASP HB2 H 1 2.398 1 . 1 . . . . . 123 ASP HB2 . 54027 1 11 . 1 . 1 5 5 ASP HB3 H 1 2.278 1 . 1 . . . . . 123 ASP HB3 . 54027 1 12 . 1 . 1 5 5 ASP N N 15 124.241 1 . 1 . . . . . 123 ASP N . 54027 1 13 . 1 . 1 6 6 PHE H H 1 7.476 1 . 1 . . . . . 124 PHE HN . 54027 1 14 . 1 . 1 6 6 PHE HA H 1 4.971 1 . 1 . . . . . 124 PHE HA . 54027 1 15 . 1 . 1 6 6 PHE HB2 H 1 2.748 1 . 1 . . . . . 124 PHE HB2 . 54027 1 16 . 1 . 1 6 6 PHE HB3 H 1 2.113 1 . 1 . . . . . 124 PHE HB3 . 54027 1 17 . 1 . 1 6 6 PHE N N 15 117.951 1 . 1 . . . . . 124 PHE N . 54027 1 18 . 1 . 1 7 7 GLU H H 1 8.647 1 . 1 . . . . . 125 GLU HN . 54027 1 19 . 1 . 1 7 7 GLU HA H 1 4.601 1 . 1 . . . . . 125 GLU HA . 54027 1 20 . 1 . 1 7 7 GLU HB2 H 1 1.994 1 . 1 . . . . . 125 GLU HB2 . 54027 1 21 . 1 . 1 7 7 GLU HB3 H 1 1.8 1 . 1 . . . . . 125 GLU HB3 . 54027 1 22 . 1 . 1 7 7 GLU HG2 H 1 2.191 1 . 1 . . . . . 125 GLU HG2 . 54027 1 23 . 1 . 1 7 7 GLU N N 15 119.213 1 . 1 . . . . . 125 GLU N . 54027 1 24 . 1 . 1 8 8 LEU H H 1 8.404 1 . 1 . . . . . 126 LEU HN . 54027 1 25 . 1 . 1 8 8 LEU HA H 1 3.66 1 . 1 . . . . . 126 LEU HA . 54027 1 26 . 1 . 1 8 8 LEU HB2 H 1 1.616 1 . 1 . . . . . 126 LEU HB2 . 54027 1 27 . 1 . 1 8 8 LEU HG H 1 1.346 1 . 1 . . . . . 126 LEU HG . 54027 1 28 . 1 . 1 8 8 LEU HD11 H 1 0.877 1 . 1 . . . . . 126 LEU QD1 . 54027 1 29 . 1 . 1 8 8 LEU HD12 H 1 0.877 1 . 1 . . . . . 126 LEU QD1 . 54027 1 30 . 1 . 1 8 8 LEU HD13 H 1 0.877 1 . 1 . . . . . 126 LEU QD1 . 54027 1 31 . 1 . 1 8 8 LEU HD21 H 1 0.738 1 . 1 . . . . . 126 LEU QD2 . 54027 1 32 . 1 . 1 8 8 LEU HD22 H 1 0.738 1 . 1 . . . . . 126 LEU QD2 . 54027 1 33 . 1 . 1 8 8 LEU HD23 H 1 0.738 1 . 1 . . . . . 126 LEU QD2 . 54027 1 34 . 1 . 1 8 8 LEU N N 15 120.095 1 . 1 . . . . . 126 LEU N . 54027 1 35 . 1 . 1 9 9 LYS H H 1 9.166 1 . 1 . . . . . 127 LYS HN . 54027 1 36 . 1 . 1 9 9 LYS HA H 1 3.669 1 . 1 . . . . . 127 LYS HA . 54027 1 37 . 1 . 1 9 9 LYS HB2 H 1 1.927 1 . 1 . . . . . 127 LYS HB2 . 54027 1 38 . 1 . 1 9 9 LYS HG2 H 1 1.27 1 . 1 . . . . . 127 LYS HG2 . 54027 1 39 . 1 . 1 9 9 LYS HE2 H 1 2.899 1 . 1 . . . . . 127 LYS HE2 . 54027 1 40 . 1 . 1 9 9 LYS N N 15 115.737 1 . 1 . . . . . 127 LYS N . 54027 1 41 . 1 . 1 10 10 GLU H H 1 7.771 1 . 1 . . . . . 128 GLU HN . 54027 1 42 . 1 . 1 10 10 GLU HA H 1 4.144 1 . 1 . . . . . 128 GLU HA . 54027 1 43 . 1 . 1 10 10 GLU HB2 H 1 2.181 1 . 1 . . . . . 128 GLU HB2 . 54027 1 44 . 1 . 1 10 10 GLU HG2 H 1 2.335 1 . 1 . . . . . 128 GLU HG2 . 54027 1 45 . 1 . 1 10 10 GLU N N 15 123.148 1 . 1 . . . . . 128 GLU N . 54027 1 46 . 1 . 1 12 12 VAL H H 1 9.125 1 . 1 . . . . . 130 VAL HN . 54027 1 47 . 1 . 1 12 12 VAL HA H 1 4.784 1 . 1 . . . . . 130 VAL HA . 54027 1 48 . 1 . 1 12 12 VAL HB H 1 2.293 1 . 1 . . . . . 130 VAL HB . 54027 1 49 . 1 . 1 12 12 VAL HG11 H 1 0.412 1 . 1 . . . . . 130 VAL QG1 . 54027 1 50 . 1 . 1 12 12 VAL HG12 H 1 0.412 1 . 1 . . . . . 130 VAL QG1 . 54027 1 51 . 1 . 1 12 12 VAL HG13 H 1 0.412 1 . 1 . . . . . 130 VAL QG1 . 54027 1 52 . 1 . 1 12 12 VAL HG21 H 1 0.424 1 . 1 . . . . . 130 VAL QG2 . 54027 1 53 . 1 . 1 12 12 VAL HG22 H 1 0.424 1 . 1 . . . . . 130 VAL QG2 . 54027 1 54 . 1 . 1 12 12 VAL HG23 H 1 0.424 1 . 1 . . . . . 130 VAL QG2 . 54027 1 55 . 1 . 1 12 12 VAL N N 15 119.56 1 . 1 . . . . . 130 VAL N . 54027 1 56 . 1 . 1 13 13 LYS H H 1 8.543 1 . 1 . . . . . 131 LYS HN . 54027 1 57 . 1 . 1 13 13 LYS HA H 1 4.677 1 . 1 . . . . . 131 LYS HA . 54027 1 58 . 1 . 1 13 13 LYS HB2 H 1 1.572 1 . 1 . . . . . 131 LYS HB2 . 54027 1 59 . 1 . 1 13 13 LYS HB3 H 1 1.452 1 . 1 . . . . . 131 LYS HB3 . 54027 1 60 . 1 . 1 13 13 LYS HG2 H 1 1.207 1 . 1 . . . . . 131 LYS HG2 . 54027 1 61 . 1 . 1 13 13 LYS HE2 H 1 2.854 1 . 1 . . . . . 131 LYS HE2 . 54027 1 62 . 1 . 1 13 13 LYS N N 15 118.282 1 . 1 . . . . . 131 LYS N . 54027 1 63 . 1 . 1 14 14 VAL H H 1 8.626 1 . 1 . . . . . 132 VAL HN . 54027 1 64 . 1 . 1 14 14 VAL HA H 1 4.259 1 . 1 . . . . . 132 VAL HA . 54027 1 65 . 1 . 1 14 14 VAL HB H 1 2.381 1 . 1 . . . . . 132 VAL HB . 54027 1 66 . 1 . 1 14 14 VAL HG11 H 1 0.969 1 . 1 . . . . . 132 VAL QG1 . 54027 1 67 . 1 . 1 14 14 VAL HG12 H 1 0.969 1 . 1 . . . . . 132 VAL QG1 . 54027 1 68 . 1 . 1 14 14 VAL HG13 H 1 0.969 1 . 1 . . . . . 132 VAL QG1 . 54027 1 69 . 1 . 1 14 14 VAL HG21 H 1 0.589 1 . 1 . . . . . 132 VAL QG2 . 54027 1 70 . 1 . 1 14 14 VAL HG22 H 1 0.589 1 . 1 . . . . . 132 VAL QG2 . 54027 1 71 . 1 . 1 14 14 VAL HG23 H 1 0.589 1 . 1 . . . . . 132 VAL QG2 . 54027 1 72 . 1 . 1 14 14 VAL N N 15 125.364 1 . 1 . . . . . 132 VAL N . 54027 1 73 . 1 . 1 15 15 ILE H H 1 8.583 1 . 1 . . . . . 133 ILE HN . 54027 1 74 . 1 . 1 15 15 ILE HA H 1 4.782 1 . 1 . . . . . 133 ILE HA . 54027 1 75 . 1 . 1 15 15 ILE HB H 1 2.171 1 . 1 . . . . . 133 ILE HB . 54027 1 76 . 1 . 1 15 15 ILE HG21 H 1 0.764 1 . 1 . . . . . 133 ILE QG2 . 54027 1 77 . 1 . 1 15 15 ILE HG22 H 1 0.764 1 . 1 . . . . . 133 ILE QG2 . 54027 1 78 . 1 . 1 15 15 ILE HG23 H 1 0.764 1 . 1 . . . . . 133 ILE QG2 . 54027 1 79 . 1 . 1 15 15 ILE N N 15 119.532 1 . 1 . . . . . 133 ILE N . 54027 1 80 . 1 . 1 16 16 ASP H H 1 7.342 1 . 1 . . . . . 134 ASP HN . 54027 1 81 . 1 . 1 16 16 ASP HA H 1 4.943 1 . 1 . . . . . 134 ASP HA . 54027 1 82 . 1 . 1 16 16 ASP HB2 H 1 2.811 1 . 1 . . . . . 134 ASP HB2 . 54027 1 83 . 1 . 1 16 16 ASP HB3 H 1 2.259 1 . 1 . . . . . 134 ASP HB3 . 54027 1 84 . 1 . 1 16 16 ASP N N 15 119.759 1 . 1 . . . . . 134 ASP N . 54027 1 85 . 1 . 1 17 17 GLY H H 1 8.109 1 . 1 . . . . . 135 GLY HN . 54027 1 86 . 1 . 1 17 17 GLY HA2 H 1 4.297 1 . 1 . . . . . 135 GLY HA1 . 54027 1 87 . 1 . 1 17 17 GLY HA3 H 1 3.805 1 . 1 . . . . . 135 GLY HA2 . 54027 1 88 . 1 . 1 17 17 GLY N N 15 108.647 1 . 1 . . . . . 135 GLY N . 54027 1 89 . 1 . 1 19 19 PHE H H 1 8.962 1 . 1 . . . . . 137 PHE HN . 54027 1 90 . 1 . 1 19 19 PHE HA H 1 4.514 1 . 1 . . . . . 137 PHE HA . 54027 1 91 . 1 . 1 19 19 PHE HB2 H 1 3.212 1 . 1 . . . . . 137 PHE HB2 . 54027 1 92 . 1 . 1 19 19 PHE HB3 H 1 2.937 1 . 1 . . . . . 137 PHE HB3 . 54027 1 93 . 1 . 1 19 19 PHE N N 15 116.623 1 . 1 . . . . . 137 PHE N . 54027 1 94 . 1 . 1 20 20 ALA H H 1 7.411 1 . 1 . . . . . 138 ALA HN . 54027 1 95 . 1 . 1 20 20 ALA HA H 1 3.502 1 . 1 . . . . . 138 ALA HA . 54027 1 96 . 1 . 1 20 20 ALA HB1 H 1 1.148 1 . 1 . . . . . 138 ALA HB# . 54027 1 97 . 1 . 1 20 20 ALA HB2 H 1 1.148 1 . 1 . . . . . 138 ALA HB# . 54027 1 98 . 1 . 1 20 20 ALA HB3 H 1 1.148 1 . 1 . . . . . 138 ALA HB# . 54027 1 99 . 1 . 1 20 20 ALA N N 15 121.027 1 . 1 . . . . . 138 ALA N . 54027 1 100 . 1 . 1 21 21 ASN H H 1 8.824 1 . 1 . . . . . 139 ASN HN . 54027 1 101 . 1 . 1 21 21 ASN HA H 1 4.13 1 . 1 . . . . . 139 ASN HA . 54027 1 102 . 1 . 1 21 21 ASN HB2 H 1 3.161 1 . 1 . . . . . 139 ASN HB2 . 54027 1 103 . 1 . 1 21 21 ASN HB3 H 1 2.757 1 . 1 . . . . . 139 ASN HB3 . 54027 1 104 . 1 . 1 21 21 ASN HD21 H 1 7.366 1 . 1 . . . . . 139 ASN HD21 . 54027 1 105 . 1 . 1 21 21 ASN HD22 H 1 6.904 1 . 1 . . . . . 139 ASN HD22 . 54027 1 106 . 1 . 1 21 21 ASN N N 15 111.556 1 . 1 . . . . . 139 ASN N . 54027 1 107 . 1 . 1 21 21 ASN ND2 N 15 114.221 1 . 1 . . . . . 139 ASN ND2 . 54027 1 108 . 1 . 1 22 22 PHE H H 1 8.141 1 . 1 . . . . . 140 PHE HN . 54027 1 109 . 1 . 1 22 22 PHE HA H 1 4.769 1 . 1 . . . . . 140 PHE HA . 54027 1 110 . 1 . 1 22 22 PHE HB2 H 1 3.302 1 . 1 . . . . . 140 PHE HB2 . 54027 1 111 . 1 . 1 22 22 PHE HB3 H 1 3.148 1 . 1 . . . . . 140 PHE HB3 . 54027 1 112 . 1 . 1 22 22 PHE N N 15 119.535 1 . 1 . . . . . 140 PHE N . 54027 1 113 . 1 . 1 23 23 THR H H 1 8.501 1 . 1 . . . . . 141 THR HN . 54027 1 114 . 1 . 1 23 23 THR HA H 1 5.48 1 . 1 . . . . . 141 THR HA . 54027 1 115 . 1 . 1 23 23 THR HB H 1 4.143 1 . 1 . . . . . 141 THR HB . 54027 1 116 . 1 . 1 23 23 THR HG21 H 1 1.101 1 . 1 . . . . . 141 THR HG1 . 54027 1 117 . 1 . 1 23 23 THR HG22 H 1 1.101 1 . 1 . . . . . 141 THR HG1 . 54027 1 118 . 1 . 1 23 23 THR HG23 H 1 1.101 1 . 1 . . . . . 141 THR HG1 . 54027 1 119 . 1 . 1 23 23 THR N N 15 109.192 1 . 1 . . . . . 141 THR N . 54027 1 120 . 1 . 1 24 24 GLY H H 1 8.613 1 . 1 . . . . . 142 GLY HN . 54027 1 121 . 1 . 1 24 24 GLY HA2 H 1 3.809 1 . 1 . . . . . 142 GLY HA1 . 54027 1 122 . 1 . 1 24 24 GLY HA3 H 1 4.478 1 . 1 . . . . . 142 GLY HA2 . 54027 1 123 . 1 . 1 24 24 GLY N N 15 104.839 1 . 1 . . . . . 142 GLY N . 54027 1 124 . 1 . 1 25 25 SER H H 1 7.873 1 . 1 . . . . . 143 SER HN . 54027 1 125 . 1 . 1 25 25 SER HA H 1 5.089 1 . 1 . . . . . 143 SER HA . 54027 1 126 . 1 . 1 25 25 SER HB2 H 1 3.649 1 . 1 . . . . . 143 SER HB2 . 54027 1 127 . 1 . 1 25 25 SER HB3 H 1 3.523 1 . 1 . . . . . 143 SER HB3 . 54027 1 128 . 1 . 1 25 25 SER N N 15 112.112 1 . 1 . . . . . 143 SER N . 54027 1 129 . 1 . 1 26 26 ILE H H 1 8.508 1 . 1 . . . . . 144 ILE HN . 54027 1 130 . 1 . 1 26 26 ILE HA H 1 3.809 1 . 1 . . . . . 144 ILE HA . 54027 1 131 . 1 . 1 26 26 ILE HB H 1 2.017 1 . 1 . . . . . 144 ILE HB . 54027 1 132 . 1 . 1 26 26 ILE N N 15 123.823 1 . 1 . . . . . 144 ILE N . 54027 1 133 . 1 . 1 27 27 GLU H H 1 8.886 1 . 1 . . . . . 145 GLU HN . 54027 1 134 . 1 . 1 27 27 GLU HA H 1 4.46 1 . 1 . . . . . 145 GLU HA . 54027 1 135 . 1 . 1 27 27 GLU HB2 H 1 1 1 . 1 . . . . . 145 GLU HB2 . 54027 1 136 . 1 . 1 27 27 GLU HB3 H 1 0.869 1 . 1 . . . . . 145 GLU HB3 . 54027 1 137 . 1 . 1 27 27 GLU HG2 H 1 1.751 1 . 1 . . . . . 145 GLU HG2 . 54027 1 138 . 1 . 1 27 27 GLU HG3 H 1 1.814 1 . 1 . . . . . 145 GLU HG3 . 54027 1 139 . 1 . 1 27 27 GLU N N 15 128.833 1 . 1 . . . . . 145 GLU N . 54027 1 140 . 1 . 1 28 28 GLU H H 1 7.506 1 . 1 . . . . . 146 GLU HN . 54027 1 141 . 1 . 1 28 28 GLU HA H 1 4.343 1 . 1 . . . . . 146 GLU HA . 54027 1 142 . 1 . 1 28 28 GLU HB2 H 1 1.812 1 . 1 . . . . . 146 GLU HB2 . 54027 1 143 . 1 . 1 28 28 GLU HG2 H 1 2.106 1 . 1 . . . . . 146 GLU HG2 . 54027 1 144 . 1 . 1 28 28 GLU N N 15 117.236 1 . 1 . . . . . 146 GLU N . 54027 1 145 . 1 . 1 29 29 ILE H H 1 8.643 1 . 1 . . . . . 147 ILE HN . 54027 1 146 . 1 . 1 29 29 ILE HA H 1 4.228 1 . 1 . . . . . 147 ILE HA . 54027 1 147 . 1 . 1 29 29 ILE HG12 H 1 1.269 1 . 1 . . . . . 147 ILE HG12 . 54027 1 148 . 1 . 1 29 29 ILE HG13 H 1 0.611 1 . 1 . . . . . 147 ILE HG13 . 54027 1 149 . 1 . 1 29 29 ILE HD11 H 1 0.319 1 . 1 . . . . . 147 ILE QD1 . 54027 1 150 . 1 . 1 29 29 ILE HD12 H 1 0.319 1 . 1 . . . . . 147 ILE QD1 . 54027 1 151 . 1 . 1 29 29 ILE HD13 H 1 0.319 1 . 1 . . . . . 147 ILE QD1 . 54027 1 152 . 1 . 1 29 29 ILE N N 15 123.058 1 . 1 . . . . . 147 ILE N . 54027 1 153 . 1 . 1 30 30 ASP H H 1 8.658 1 . 1 . . . . . 148 ASP HN . 54027 1 154 . 1 . 1 30 30 ASP HA H 1 4.845 1 . 1 . . . . . 148 ASP HA . 54027 1 155 . 1 . 1 30 30 ASP HB2 H 1 2.745 1 . 1 . . . . . 148 ASP HB2 . 54027 1 156 . 1 . 1 30 30 ASP HB3 H 1 2.296 1 . 1 . . . . . 148 ASP HB3 . 54027 1 157 . 1 . 1 30 30 ASP N N 15 126.9 1 . 1 . . . . . 148 ASP N . 54027 1 158 . 1 . 1 31 31 TYR H H 1 8.684 1 . 1 . . . . . 149 TYR HN . 54027 1 159 . 1 . 1 31 31 TYR HA H 1 4.232 1 . 1 . . . . . 149 TYR HA . 54027 1 160 . 1 . 1 31 31 TYR HB2 H 1 3.223 1 . 1 . . . . . 149 TYR HB2 . 54027 1 161 . 1 . 1 31 31 TYR HB3 H 1 2.845 1 . 1 . . . . . 149 TYR HB3 . 54027 1 162 . 1 . 1 31 31 TYR N N 15 123.015 1 . 1 . . . . . 149 TYR N . 54027 1 163 . 1 . 1 32 32 ASP H H 1 8.332 1 . 1 . . . . . 150 ASP HN . 54027 1 164 . 1 . 1 32 32 ASP HA H 1 4.49 1 . 1 . . . . . 150 ASP HA . 54027 1 165 . 1 . 1 32 32 ASP HB2 H 1 2.825 1 . 1 . . . . . 150 ASP HB2 . 54027 1 166 . 1 . 1 32 32 ASP HB3 H 1 2.692 1 . 1 . . . . . 150 ASP HB3 . 54027 1 167 . 1 . 1 32 32 ASP N N 15 119.809 1 . 1 . . . . . 150 ASP N . 54027 1 168 . 1 . 1 33 33 LYS H H 1 7.601 1 . 1 . . . . . 151 LYS HN . 54027 1 169 . 1 . 1 33 33 LYS HA H 1 4.232 1 . 1 . . . . . 151 LYS HA . 54027 1 170 . 1 . 1 33 33 LYS HB2 H 1 1.753 1 . 1 . . . . . 151 LYS HB2 . 54027 1 171 . 1 . 1 33 33 LYS HB3 H 1 1.512 1 . 1 . . . . . 151 LYS HB3 . 54027 1 172 . 1 . 1 33 33 LYS HG2 H 1 1.228 1 . 1 . . . . . 151 LYS HG2 . 54027 1 173 . 1 . 1 33 33 LYS HD2 H 1 1.374 1 . 1 . . . . . 151 LYS HD2 . 54027 1 174 . 1 . 1 33 33 LYS HE2 H 1 2.885 1 . 1 . . . . . 151 LYS HE2 . 54027 1 175 . 1 . 1 33 33 LYS N N 15 116.308 1 . 1 . . . . . 151 LYS N . 54027 1 176 . 1 . 1 34 34 SER H H 1 7.457 1 . 1 . . . . . 152 SER HN . 54027 1 177 . 1 . 1 34 34 SER HA H 1 2.958 1 . 1 . . . . . 152 SER HA . 54027 1 178 . 1 . 1 34 34 SER HB2 H 1 3.44 1 . 1 . . . . . 152 SER HB2 . 54027 1 179 . 1 . 1 34 34 SER HB3 H 1 3.859 1 . 1 . . . . . 152 SER HB3 . 54027 1 180 . 1 . 1 34 34 SER N N 15 114.011 1 . 1 . . . . . 152 SER N . 54027 1 181 . 1 . 1 35 35 LYS H H 1 7.554 1 . 1 . . . . . 153 LYS HN . 54027 1 182 . 1 . 1 35 35 LYS HA H 1 4.956 1 . 1 . . . . . 153 LYS HA . 54027 1 183 . 1 . 1 35 35 LYS HB2 H 1 1.547 1 . 1 . . . . . 153 LYS HB2 . 54027 1 184 . 1 . 1 35 35 LYS HG2 H 1 1.081 1 . 1 . . . . . 153 LYS HG2 . 54027 1 185 . 1 . 1 35 35 LYS HD2 H 1 1.349 1 . 1 . . . . . 153 LYS HD2 . 54027 1 186 . 1 . 1 35 35 LYS HE2 H 1 2.767 1 . 1 . . . . . 153 LYS HE2 . 54027 1 187 . 1 . 1 35 35 LYS N N 15 116.342 1 . 1 . . . . . 153 LYS N . 54027 1 188 . 1 . 1 36 36 VAL H H 1 9.116 1 . 1 . . . . . 154 VAL HN . 54027 1 189 . 1 . 1 36 36 VAL HA H 1 4.842 1 . 1 . . . . . 154 VAL HA . 54027 1 190 . 1 . 1 36 36 VAL HB H 1 1.733 1 . 1 . . . . . 154 VAL HB . 54027 1 191 . 1 . 1 36 36 VAL HG11 H 1 0.536 1 . 1 . . . . . 154 VAL QG1 . 54027 1 192 . 1 . 1 36 36 VAL HG12 H 1 0.536 1 . 1 . . . . . 154 VAL QG1 . 54027 1 193 . 1 . 1 36 36 VAL HG13 H 1 0.536 1 . 1 . . . . . 154 VAL QG1 . 54027 1 194 . 1 . 1 36 36 VAL HG21 H 1 0.464 1 . 1 . . . . . 154 VAL QG2 . 54027 1 195 . 1 . 1 36 36 VAL HG22 H 1 0.464 1 . 1 . . . . . 154 VAL QG2 . 54027 1 196 . 1 . 1 36 36 VAL HG23 H 1 0.464 1 . 1 . . . . . 154 VAL QG2 . 54027 1 197 . 1 . 1 36 36 VAL N N 15 114.991 1 . 1 . . . . . 154 VAL N . 54027 1 198 . 1 . 1 37 37 LYS H H 1 8.295 1 . 1 . . . . . 155 LYS HN . 54027 1 199 . 1 . 1 37 37 LYS HA H 1 4.946 1 . 1 . . . . . 155 LYS HA . 54027 1 200 . 1 . 1 37 37 LYS HB2 H 1 1.537 1 . 1 . . . . . 155 LYS HB2 . 54027 1 201 . 1 . 1 37 37 LYS HG2 H 1 1.028 1 . 1 . . . . . 155 LYS HG2 . 54027 1 202 . 1 . 1 37 37 LYS HD2 H 1 1.173 1 . 1 . . . . . 155 LYS HD2 . 54027 1 203 . 1 . 1 37 37 LYS HE2 H 1 2.724 1 . 1 . . . . . 155 LYS HE2 . 54027 1 204 . 1 . 1 37 37 LYS N N 15 122.809 1 . 1 . . . . . 155 LYS N . 54027 1 205 . 1 . 1 38 38 VAL H H 1 8.976 1 . 1 . . . . . 156 VAL HN . 54027 1 206 . 1 . 1 38 38 VAL HA H 1 4.864 1 . 1 . . . . . 156 VAL HA . 54027 1 207 . 1 . 1 38 38 VAL HB H 1 1.496 1 . 1 . . . . . 156 VAL HB . 54027 1 208 . 1 . 1 38 38 VAL HG11 H 1 0.506 1 . 1 . . . . . 156 VAL QG1 . 54027 1 209 . 1 . 1 38 38 VAL HG12 H 1 0.506 1 . 1 . . . . . 156 VAL QG1 . 54027 1 210 . 1 . 1 38 38 VAL HG13 H 1 0.506 1 . 1 . . . . . 156 VAL QG1 . 54027 1 211 . 1 . 1 38 38 VAL HG21 H 1 0.329 1 . 1 . . . . . 156 VAL QG2 . 54027 1 212 . 1 . 1 38 38 VAL HG22 H 1 0.329 1 . 1 . . . . . 156 VAL QG2 . 54027 1 213 . 1 . 1 38 38 VAL HG23 H 1 0.329 1 . 1 . . . . . 156 VAL QG2 . 54027 1 214 . 1 . 1 38 38 VAL N N 15 126.044 1 . 1 . . . . . 156 VAL N . 54027 1 215 . 1 . 1 39 39 PHE H H 1 8.93 1 . 1 . . . . . 157 PHE HN . 54027 1 216 . 1 . 1 39 39 PHE HA H 1 4.896 1 . 1 . . . . . 157 PHE HA . 54027 1 217 . 1 . 1 39 39 PHE HB2 H 1 3.095 1 . 1 . . . . . 157 PHE HB2 . 54027 1 218 . 1 . 1 39 39 PHE HB3 H 1 2.739 1 . 1 . . . . . 157 PHE HB3 . 54027 1 219 . 1 . 1 39 39 PHE N N 15 126.435 1 . 1 . . . . . 157 PHE N . 54027 1 220 . 1 . 1 40 40 VAL H H 1 8.523 1 . 1 . . . . . 158 VAL HN . 54027 1 221 . 1 . 1 40 40 VAL HA H 1 4.103 1 . 1 . . . . . 158 VAL HA . 54027 1 222 . 1 . 1 40 40 VAL HB H 1 1.684 1 . 1 . . . . . 158 VAL HB . 54027 1 223 . 1 . 1 40 40 VAL HG11 H 1 0.622 1 . 1 . . . . . 158 VAL QG1 . 54027 1 224 . 1 . 1 40 40 VAL HG12 H 1 0.622 1 . 1 . . . . . 158 VAL QG1 . 54027 1 225 . 1 . 1 40 40 VAL HG13 H 1 0.622 1 . 1 . . . . . 158 VAL QG1 . 54027 1 226 . 1 . 1 40 40 VAL HG21 H 1 0.423 1 . 1 . . . . . 158 VAL QG2 . 54027 1 227 . 1 . 1 40 40 VAL HG22 H 1 0.423 1 . 1 . . . . . 158 VAL QG2 . 54027 1 228 . 1 . 1 40 40 VAL HG23 H 1 0.423 1 . 1 . . . . . 158 VAL QG2 . 54027 1 229 . 1 . 1 40 40 VAL N N 15 125.614 1 . 1 . . . . . 158 VAL N . 54027 1 230 . 1 . 1 41 41 ASN H H 1 8.956 1 . 1 . . . . . 159 ASN HN . 54027 1 231 . 1 . 1 41 41 ASN HA H 1 4.748 1 . 1 . . . . . 159 ASN HA . 54027 1 232 . 1 . 1 41 41 ASN HB2 H 1 2.835 1 . 1 . . . . . 159 ASN HB2 . 54027 1 233 . 1 . 1 41 41 ASN HB3 H 1 2.671 1 . 1 . . . . . 159 ASN HB3 . 54027 1 234 . 1 . 1 41 41 ASN HD21 H 1 7.446 1 . 1 . . . . . 159 ASN HD21 . 54027 1 235 . 1 . 1 41 41 ASN HD22 H 1 6.688 1 . 1 . . . . . 159 ASN HD22 . 54027 1 236 . 1 . 1 41 41 ASN N N 15 125.461 1 . 1 . . . . . 159 ASN N . 54027 1 237 . 1 . 1 41 41 ASN ND2 N 15 110.83 1 . 1 . . . . . 159 ASN ND2 . 54027 1 238 . 1 . 1 42 42 MET H H 1 8.198 1 . 1 . . . . . 160 MET HN . 54027 1 239 . 1 . 1 42 42 MET HA H 1 4.297 1 . 1 . . . . . 160 MET HA . 54027 1 240 . 1 . 1 42 42 MET HB2 H 1 1.495 1 . 1 . . . . . 160 MET HB2 . 54027 1 241 . 1 . 1 42 42 MET HG2 H 1 1.761 1 . 1 . . . . . 160 MET HG2 . 54027 1 242 . 1 . 1 42 42 MET N N 15 125.209 1 . 1 . . . . . 160 MET N . 54027 1 243 . 1 . 1 45 45 ARG H H 1 7.564 1 . 1 . . . . . 163 ARG HN . 54027 1 244 . 1 . 1 45 45 ARG HA H 1 4.496 1 . 1 . . . . . 163 ARG HA . 54027 1 245 . 1 . 1 45 45 ARG HB2 H 1 1.737 1 . 1 . . . . . 163 ARG HB2 . 54027 1 246 . 1 . 1 45 45 ARG HG2 H 1 1.505 1 . 1 . . . . . 163 ARG HG2 . 54027 1 247 . 1 . 1 45 45 ARG HD2 H 1 3.14 1 . 1 . . . . . 163 ARG HD2 . 54027 1 248 . 1 . 1 45 45 ARG N N 15 120.395 1 . 1 . . . . . 163 ARG N . 54027 1 249 . 1 . 1 47 47 THR H H 1 8.777 1 . 1 . . . . . 165 THR HN . 54027 1 250 . 1 . 1 47 47 THR HA H 1 4.61 1 . 1 . . . . . 165 THR HA . 54027 1 251 . 1 . 1 47 47 THR HB H 1 3.736 1 . 1 . . . . . 165 THR HB . 54027 1 252 . 1 . 1 47 47 THR HG21 H 1 0.945 1 . 1 . . . . . 165 THR HG1 . 54027 1 253 . 1 . 1 47 47 THR HG22 H 1 0.945 1 . 1 . . . . . 165 THR HG1 . 54027 1 254 . 1 . 1 47 47 THR HG23 H 1 0.945 1 . 1 . . . . . 165 THR HG1 . 54027 1 255 . 1 . 1 47 47 THR N N 15 122.344 1 . 1 . . . . . 165 THR N . 54027 1 256 . 1 . 1 49 49 VAL H H 1 8.991 1 . 1 . . . . . 167 VAL HN . 54027 1 257 . 1 . 1 49 49 VAL HA H 1 4.096 1 . 1 . . . . . 167 VAL HA . 54027 1 258 . 1 . 1 49 49 VAL HB H 1 1.597 1 . 1 . . . . . 167 VAL HB . 54027 1 259 . 1 . 1 49 49 VAL HG11 H 1 0.54 1 . 1 . . . . . 167 VAL QG1 . 54027 1 260 . 1 . 1 49 49 VAL HG12 H 1 0.54 1 . 1 . . . . . 167 VAL QG1 . 54027 1 261 . 1 . 1 49 49 VAL HG13 H 1 0.54 1 . 1 . . . . . 167 VAL QG1 . 54027 1 262 . 1 . 1 49 49 VAL HG21 H 1 0.296 1 . 1 . . . . . 167 VAL QG2 . 54027 1 263 . 1 . 1 49 49 VAL HG22 H 1 0.296 1 . 1 . . . . . 167 VAL QG2 . 54027 1 264 . 1 . 1 49 49 VAL HG23 H 1 0.296 1 . 1 . . . . . 167 VAL QG2 . 54027 1 265 . 1 . 1 49 49 VAL N N 15 123.107 1 . 1 . . . . . 167 VAL N . 54027 1 266 . 1 . 1 50 50 GLU H H 1 8.399 1 . 1 . . . . . 168 GLU HN . 54027 1 267 . 1 . 1 50 50 GLU HA H 1 4.985 1 . 1 . . . . . 168 GLU HA . 54027 1 268 . 1 . 1 50 50 GLU HB2 H 1 1.856 1 . 1 . . . . . 168 GLU HB2 . 54027 1 269 . 1 . 1 50 50 GLU HG2 H 1 2.04 1 . 1 . . . . . 168 GLU HG2 . 54027 1 270 . 1 . 1 50 50 GLU N N 15 126.707 1 . 1 . . . . . 168 GLU N . 54027 1 271 . 1 . 1 51 51 LEU H H 1 8.87 1 . 1 . . . . . 169 LEU HN . 54027 1 272 . 1 . 1 51 51 LEU HA H 1 4.779 1 . 1 . . . . . 169 LEU HA . 54027 1 273 . 1 . 1 51 51 LEU HB2 H 1 1.535 1 . 1 . . . . . 169 LEU HB2 . 54027 1 274 . 1 . 1 51 51 LEU HG H 1 1.172 1 . 1 . . . . . 169 LEU HG . 54027 1 275 . 1 . 1 51 51 LEU HD11 H 1 0.822 1 . 1 . . . . . 169 LEU QD1 . 54027 1 276 . 1 . 1 51 51 LEU HD12 H 1 0.822 1 . 1 . . . . . 169 LEU QD1 . 54027 1 277 . 1 . 1 51 51 LEU HD13 H 1 0.822 1 . 1 . . . . . 169 LEU QD1 . 54027 1 278 . 1 . 1 51 51 LEU HD21 H 1 0.541 1 . 1 . . . . . 169 LEU QD2 . 54027 1 279 . 1 . 1 51 51 LEU HD22 H 1 0.541 1 . 1 . . . . . 169 LEU QD2 . 54027 1 280 . 1 . 1 51 51 LEU HD23 H 1 0.541 1 . 1 . . . . . 169 LEU QD2 . 54027 1 281 . 1 . 1 51 51 LEU N N 15 126.881 1 . 1 . . . . . 169 LEU N . 54027 1 282 . 1 . 1 52 52 GLU H H 1 8.884 1 . 1 . . . . . 170 GLU HN . 54027 1 283 . 1 . 1 52 52 GLU HA H 1 4.753 1 . 1 . . . . . 170 GLU HA . 54027 1 284 . 1 . 1 52 52 GLU HB2 H 1 1.773 1 . 1 . . . . . 170 GLU HB2 . 54027 1 285 . 1 . 1 52 52 GLU HG2 H 1 2.351 1 . 1 . . . . . 170 GLU HG2 . 54027 1 286 . 1 . 1 52 52 GLU HG3 H 1 2.249 1 . 1 . . . . . 170 GLU HG3 . 54027 1 287 . 1 . 1 52 52 GLU N N 15 118.378 1 . 1 . . . . . 170 GLU N . 54027 1 288 . 1 . 1 53 53 PHE H H 1 8.258 1 . 1 . . . . . 171 PHE HN . 54027 1 289 . 1 . 1 53 53 PHE HA H 1 4.105 1 . 1 . . . . . 171 PHE HA . 54027 1 290 . 1 . 1 53 53 PHE HB2 H 1 3.246 1 . 1 . . . . . 171 PHE HB2 . 54027 1 291 . 1 . 1 53 53 PHE HB3 H 1 3.06 1 . 1 . . . . . 171 PHE HB3 . 54027 1 292 . 1 . 1 53 53 PHE N N 15 120.239 1 . 1 . . . . . 171 PHE N . 54027 1 293 . 1 . 1 54 54 THR H H 1 8.489 1 . 1 . . . . . 172 THR HN . 54027 1 294 . 1 . 1 54 54 THR HA H 1 4.923 1 . 1 . . . . . 172 THR HA . 54027 1 295 . 1 . 1 54 54 THR HB H 1 4.016 1 . 1 . . . . . 172 THR HB . 54027 1 296 . 1 . 1 54 54 THR HG21 H 1 1.15 1 . 1 . . . . . 172 THR HG1 . 54027 1 297 . 1 . 1 54 54 THR HG22 H 1 1.15 1 . 1 . . . . . 172 THR HG1 . 54027 1 298 . 1 . 1 54 54 THR HG23 H 1 1.15 1 . 1 . . . . . 172 THR HG1 . 54027 1 299 . 1 . 1 54 54 THR N N 15 122.348 1 . 1 . . . . . 172 THR N . 54027 1 300 . 1 . 1 55 55 GLN H H 1 7.87 1 . 1 . . . . . 173 GLN HN . 54027 1 301 . 1 . 1 55 55 GLN HA H 1 4.263 1 . 1 . . . . . 173 GLN HA . 54027 1 302 . 1 . 1 55 55 GLN HB2 H 1 2.167 1 . 1 . . . . . 173 GLN HB2 . 54027 1 303 . 1 . 1 55 55 GLN HG2 H 1 2.339 1 . 1 . . . . . 173 GLN HG2 . 54027 1 304 . 1 . 1 55 55 GLN HE21 H 1 8.335 1 . 1 . . . . . 173 GLN HE21 . 54027 1 305 . 1 . 1 55 55 GLN HE22 H 1 6.729 1 . 1 . . . . . 173 GLN HE22 . 54027 1 306 . 1 . 1 55 55 GLN N N 15 117.748 1 . 1 . . . . . 173 GLN N . 54027 1 307 . 1 . 1 55 55 GLN NE2 N 15 112.817 1 . 1 . . . . . 173 GLN NE2 . 54027 1 308 . 1 . 1 56 56 ILE H H 1 7.212 1 . 1 . . . . . 174 ILE HN . 54027 1 309 . 1 . 1 56 56 ILE HA H 1 5.344 1 . 1 . . . . . 174 ILE HA . 54027 1 310 . 1 . 1 56 56 ILE HB H 1 2.042 1 . 1 . . . . . 174 ILE HB . 54027 1 311 . 1 . 1 56 56 ILE HG12 H 1 1.157 1 . 1 . . . . . 174 ILE HG12 . 54027 1 312 . 1 . 1 56 56 ILE HD11 H 1 0.54 1 . 1 . . . . . 174 ILE QD1 . 54027 1 313 . 1 . 1 56 56 ILE HD12 H 1 0.54 1 . 1 . . . . . 174 ILE QD1 . 54027 1 314 . 1 . 1 56 56 ILE HD13 H 1 0.54 1 . 1 . . . . . 174 ILE QD1 . 54027 1 315 . 1 . 1 56 56 ILE N N 15 111.906 1 . 1 . . . . . 174 ILE N . 54027 1 316 . 1 . 1 57 57 ASP H H 1 8.946 1 . 1 . . . . . 175 ASP HN . 54027 1 317 . 1 . 1 57 57 ASP HA H 1 5.122 1 . 1 . . . . . 175 ASP HA . 54027 1 318 . 1 . 1 57 57 ASP HB2 H 1 2.484 1 . 1 . . . . . 175 ASP HB2 . 54027 1 319 . 1 . 1 57 57 ASP N N 15 117.663 1 . 1 . . . . . 175 ASP N . 54027 1 320 . 1 . 1 58 58 LYS H H 1 8.539 1 . 1 . . . . . 176 LYS HN . 54027 1 321 . 1 . 1 58 58 LYS HA H 1 4.545 1 . 1 . . . . . 176 LYS HA . 54027 1 322 . 1 . 1 58 58 LYS HB2 H 1 1.876 1 . 1 . . . . . 176 LYS HB2 . 54027 1 323 . 1 . 1 58 58 LYS HG2 H 1 1.5 1 . 1 . . . . . 176 LYS HG2 . 54027 1 324 . 1 . 1 58 58 LYS HD2 H 1 1.668 1 . 1 . . . . . 176 LYS HD2 . 54027 1 325 . 1 . 1 58 58 LYS HE2 H 1 2.71 1 . 1 . . . . . 176 LYS HE2 . 54027 1 326 . 1 . 1 58 58 LYS N N 15 121.156 1 . 1 . . . . . 176 LYS N . 54027 1 327 . 1 . 1 59 59 LEU H H 1 8.082 1 . 1 . . . . . 177 LEU HN . 54027 1 328 . 1 . 1 59 59 LEU HA H 1 4.014 1 . 1 . . . . . 177 LEU HA . 54027 1 329 . 1 . 1 59 59 LEU HB2 H 1 1.556 1 . 1 . . . . . 177 LEU HB2 . 54027 1 330 . 1 . 1 59 59 LEU HG H 1 1.434 1 . 1 . . . . . 177 LEU HG . 54027 1 331 . 1 . 1 59 59 LEU HD11 H 1 0.797 1 . 1 . . . . . 177 LEU QD1 . 54027 1 332 . 1 . 1 59 59 LEU HD12 H 1 0.797 1 . 1 . . . . . 177 LEU QD1 . 54027 1 333 . 1 . 1 59 59 LEU HD13 H 1 0.797 1 . 1 . . . . . 177 LEU QD1 . 54027 1 334 . 1 . 1 59 59 LEU N N 15 127.102 1 . 1 . . . . . 177 LEU N . 54027 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 54027 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 'BsNusG CTD HMQC Peak List' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HMQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 N21N-N21HN 111.554 8.824 L59N-L59HN 127.103 8.085 D30N-D30HN 126.893 8.659 L51N-L51HN 126.875 8.87 E50N-E50HN 126.709 8.404 F39N-F39HN 126.435 8.932 V38N-V38HN 126.048 8.979 V40N-V40HN 125.633 8.527 N41N-N41HN 125.444 8.956 V14N-V14HN 125.372 8.629 M42N-M42HN 125.211 8.199 G24N-G24HN 124.834 8.615 D5N-D5HN 124.262 8.052 I26N-I26HN 123.835 8.512 E10N-E10HN 123.156 7.774 V49N-V49HN 123.118 8.995 I29N-I29HN 123.061 8.648 Y31N-Y31HN 123.016 8.688 K37N-K37HN 122.805 8.295 T47N-T47HN 122.354 8.779 T54N-T54HN 122.366 8.494 K58N-K58HN 121.166 8.542 A20N-A20HN 121.023 7.414 R45N-R45HN 120.394 7.565 F53N-F53HN 120.264 8.262 L8N-L8HN 120.077 8.409 D32N-D32HN 119.811 8.334 D16N-D16HN 119.765 7.346 V12N-V12HN 119.576 9.127 I15N-I15HN 119.526 8.585 F22N-F22HN 119.532 8.142 E7N-E7HN 119.21 8.648 I4N-I4HN 118.61 7.803 E52N-E52HN 118.383 8.887 K13N-K13HN 118.281 8.546 F6N-F6HN 117.955 7.481 Q55N-Q55HN 117.749 7.874 D57N-D57HN 117.658 8.949 E28N-E28HN 117.24 7.508 F19N-F19HN 116.632 8.965 K33N-K33HN 116.313 7.602 K35N-K35HN 116.328 7.555 K9N-K9HN 115.76 9.171 V36N-V36HN 115.005 9.121 T23N-T23HN 109.203 8.504 E27N-E27HN 108.84 8.887 G17N-G17HN 108.668 8.111 S25N-S25HN 112.111 7.876 I56N-I56HN 111.893 7.214 S34N-S34HN 114.022 7.458 N41ND2-N41HD21 110.83 7.446 N41ND2-N41HD22 110.83 6.688 Q55NE2-Q55HE21 112.812 8.335 Q55NE2-Q55HE22 112.822 6.729 N21ND2-N21HD21 114.213 7.366 N21ND2-N21HD22 114.23 6.904 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . 'not observed' 20 ppm . . . . . . 54027 1 2 . . H 1 HN . 'not observed' 16.0221 ppm . . . . . . 54027 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 54027 1 2 $software_2 . . 54027 1 3 $software_3 . . 54027 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 54027 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name 'BsNusG CTD TOCSY Peak List' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-15N TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 T47N-T47HA-T47HN 122.34 4.61 8.777 T47N-T47HB-T47HN 122.345 3.736 8.777 T47N-T47HG1-T47HN 122.339 0.945 8.777 L8N-L8HA-L8HN 120.062 3.66 8.404 L8N-L8HB2-L8HN 120.073 1.616 8.404 L8N-L8HG-L8HN 120.063 1.346 8.404 L8N-L8QD1-L8HN 120.194 0.877 8.403 L8N-L8QD2-L8HN 120.103 0.738 8.399 K9N-K9HB2-K9HN 115.757 1.927 9.165 K9N-K9HG2-K9HN 115.744 1.27 9.164 E10N-E10HA-E10HN 123.145 4.144 7.77 E10N-E10HG2-E10HN 123.148 2.335 7.77 E10N-E10HB2-E10HN 123.143 2.181 7.77 G24N-G24HA1-G24HN 124.834 3.809 8.612 G24N-G24HA2-G24HN 124.847 4.478 8.612 S25N-S25HA-S25HN 112.112 5.089 7.872 S25N-S25HB2-S25HN 112.111 3.649 7.871 S25N-S25HB3-S25HN 112.113 3.523 7.871 T23N-T23HG1-T23HN 109.225 1.101 8.499 T23N-T23HB-T23HN 109.135 4.143 8.502 T23N-T23HA-T23HN 109.205 5.48 8.499 I26N-I26HA-I26HN 123.81 3.809 8.506 I26N-I26HB-I26HN 123.824 2.017 8.507 E27N-E27HA-E27HN 108.834 4.46 8.885 E27N-E27HB2-E27HN 108.823 1 8.884 E27N-E27HB3-E27HN 108.821 0.869 8.885 E27N-E27HG3-E27HN 108.84 1.814 8.886 E27N-E27HG2-E27HN 108.84 1.751 8.887 F22N-F22HB2-F22HN 119.535 3.302 8.141 F22N-F22HB3-F22HN 119.531 3.148 8.141 F22N-F22HA-F22HN 119.541 4.769 8.14 N21N-N21HA-N21HN 111.557 4.13 8.823 N21N-N21HB2-N21HN 111.564 3.161 8.824 N21N-N21HB3-N21HN 111.549 2.757 8.823 A20N-A20QB-A20HN 121.021 1.148 7.41 A20N-A20HA-A20HN 121.038 3.502 7.41 F19N-F19HA-F19HN 116.619 4.514 8.961 F19N-F19HB2-F19HN 116.619 3.212 8.96 F19N-F19HB3-F19HN 116.623 2.937 8.959 E28N-E28HA-E28HN 117.235 4.343 7.505 E28N-E28HG2-E28HN 117.235 2.106 7.506 E28N-E28HB2-E28HN 117.235 1.812 7.506 I29N-I29HG12-I29HN 123.057 1.269 8.642 I29N-I29HG13-I29HN 123.057 0.611 8.641 I29N-I29QD1-I29HN 123.064 0.319 8.642 I29N-I29HA-I29HN 123.05 4.228 8.642 D30N-D30HA-D30HN 126.902 4.845 8.657 D30N-D30HB2-D30HN 126.904 2.745 8.658 D30N-D30HB3-D30HN 126.901 2.296 8.658 Y31N-Y31HA-Y31HN 123.011 4.232 8.682 Y31N-Y31HB2-Y31HN 123.032 3.223 8.683 Y31N-Y31HB3-Y31HN 122.999 2.845 8.682 I4N-I4HA-I4HN 118.61 4.063 7.796 I4N-I4HB-I4HN 118.606 1.66 7.796 I4N-I4QD1-I4HN 118.613 0.589 7.796 D5N-D5HA-D5HN 124.23 4.548 8.046 D5N-D5HB2-D5HN 124.234 2.398 8.045 F6N-F6HA-F6HN 117.96 4.971 7.475 F6N-F6HB2-F6HN 117.949 2.748 7.475 F6N-F6HB3-F6HN 117.941 2.113 7.474 F39N-F39HA-F39HN 126.43 4.896 8.93 K9N-K9HA-K9HN 115.74 3.669 9.165 K9N-K9HE2-K9HN 115.685 2.899 9.166 V49N-V49HA-V49HN 123.105 4.096 8.991 V49N-V49HB-V49HN 123.107 1.597 8.989 V49N-V49QG1-V49HN 123.103 0.54 8.99 V49N-V49QG2-V49HN 123.1 0.296 8.99 E50N-E50HA-E50HN 126.703 4.985 8.398 E50N-E50HG2-E50HN 126.709 2.04 8.397 E50N-E50HB2-E50HN 126.706 1.856 8.398 L51N-L51HA-L51HN 126.888 4.779 8.87 L51N-L51HB2-L51HN 126.877 1.535 8.87 L51N-L51HG-L51HN 126.883 1.172 8.871 L51N-L51QD1-L51HN 126.898 0.822 8.867 L51N-L51QD2-L51HN 126.868 0.541 8.869 E52N-E52HA-E52HN 118.378 4.753 8.884 E52N-E52HG2-E52HN 118.381 2.351 8.883 E52N-E52HG3-E52HN 118.363 2.249 8.883 E52N-E52HB2-E52HN 118.387 1.773 8.883 F53N-F53HA-F53HN 120.243 4.105 8.259 F53N-F53HB2-F53HN 120.229 3.246 8.257 F53N-F53HB3-F53HN 120.222 3.06 8.253 T54N-T54HA-T54HN 122.348 4.923 8.487 T54N-T54HB-T54HN 122.336 4.016 8.487 T54N-T54HG1-T54HN 122.343 1.15 8.487 V40N-V40HA-V40HN 125.614 4.103 8.522 V40N-V40HB-V40HN 125.601 1.684 8.522 V40N-V40QG1-V40HN 125.604 0.622 8.523 V40N-V40QG2-V40HN 125.616 0.423 8.523 F39N-F39HB2-F39HN 126.441 3.095 8.93 F39N-F39HB3-F39HN 126.432 2.739 8.929 V38N-V38HA-V38HN 126.054 4.864 8.975 V38N-V38HB-V38HN 126.033 1.496 8.975 V38N-V38QG1-V38HN 126.045 0.506 8.975 V38N-V38QG2-V38HN 126.038 0.329 8.975 K37N-K37HA-K37HN 122.803 4.946 8.295 K37N-K37HE2-K37HN 122.801 2.724 8.294 K37N-K37HB2-K37HN 122.817 1.537 8.295 K37N-K37HD2-K37HN 122.809 1.173 8.296 K37N-K37HG2-K37HN 122.817 1.028 8.295 V36N-V36HA-V36HN 115.004 4.842 9.115 V36N-V36HB-V36HN 114.935 1.733 9.116 V36N-V36QG1-V36HN 115.006 0.536 9.113 V36N-V36QG2-V36HN 115.005 0.464 9.113 K35N-K35HA-K35HN 116.351 4.956 7.553 K35N-K35HE2-K35HN 116.362 2.767 7.555 K35N-K35HB2-K35HN 116.327 1.547 7.553 K35N-K35HD2-K35HN 116.348 1.349 7.554 K35N-K35HG2-K35HN 116.338 1.081 7.553 L59N-L59HA-L59HN 127.098 4.014 8.08 L59N-L59HB2-L59HN 127.1 1.556 8.081 L59N-L59HG-L59HN 127.104 1.434 8.081 L59N-L59QD1-L59HN 127.103 0.797 8.081 K58N-K58HA-K58HN 121.176 4.545 8.538 K58N-K58HD2-K58HN 121.174 1.668 8.538 K58N-K58HG2-K58HN 121.17 1.5 8.538 K58N-K58HB2-K58HN 121.156 1.876 8.539 K58N-K58HE2-K58HN 121.095 2.71 8.537 D57N-D57HB2-D57HN 117.664 2.484 8.945 D57N-D57HA-D57HN 117.666 5.122 8.945 I56N-I56QD1-I56HN 111.88 0.54 7.209 I56N-I56HA-I56HN 111.901 5.344 7.212 I56N-I56HG12-I56HN 111.963 1.157 7.211 S34N-S34HA-S34HN 114.016 3.859 7.457 S34N-S34HB2-S34HN 114.011 3.44 7.456 S34N-S34HB3-S34HN 113.994 2.958 7.458 K33N-K33HA-K33HN 116.309 4.232 7.601 K33N-K33HE2-K33HN 116.313 2.885 7.601 K33N-K33HB2-K33HN 116.296 1.753 7.6 K33N-K33HB3-K33HN 116.302 1.512 7.6 K33N-K33HD2-K33HN 116.314 1.374 7.599 K33N-K33HG2-K33HN 116.309 1.228 7.601 D32N-D32HA-D32HN 119.811 4.49 8.332 D32N-D32HB2-D32HN 119.805 2.825 8.332 D32N-D32HB3-D32HN 119.81 2.692 8.332 Q55N-Q55HA-Q55HN 117.751 4.263 7.869 Q55N-Q55HG2-Q55HN 117.742 2.339 7.869 Q55N-Q55HB2-Q55HN 117.749 2.167 7.869 D5N-D5HB3-D5HN 124.238 2.278 8.047 E7N-E7HA-E7HN 119.219 4.601 8.647 E7N-E7HG2-E7HN 119.215 2.191 8.647 E7N-E7HB2-E7HN 119.206 1.994 8.647 E7N-E7HB3-E7HN 119.217 1.8 8.647 N41N-N41HA-N41HN 125.444 4.748 8.963 N41N-N41HB2-N41HN 125.511 2.835 8.952 N41N-N41HB3-N41HN 125.444 2.671 8.953 G17N-G17HA1-G17HN 108.645 4.297 8.108 G17N-G17HA2-G17HN 108.627 3.805 8.107 D16N-D16HA-D16HN 119.756 4.943 7.342 D16N-D16HB2-D16HN 119.755 2.811 7.342 D16N-D16HB3-D16HN 119.756 2.259 7.342 I15N-I15HA-I15HN 119.533 4.782 8.582 I15N-I15HB-I15HN 119.534 2.171 8.585 I15N-I15QG2-I15HN 119.536 0.764 8.58 K13N-K13HA-K13HN 118.281 4.677 8.541 K13N-K13HE2-K13HN 118.283 2.854 8.543 K13N-K13HG2-K13HN 118.283 1.207 8.542 K13N-K13HB3-K13HN 118.284 1.452 8.543 K13N-K13HB2-K13HN 118.28 1.572 8.542 V14N-V14HA-V14HN 125.36 4.259 8.626 V14N-V14HB-V14HN 125.362 2.381 8.624 V14N-V14QG1-V14HN 125.361 0.969 8.625 M42N-M42HA-M42HN 125.206 4.297 8.198 M42N-M42HG2-M42HN 125.208 1.761 8.198 M42N-M42HB2-M42HN 125.211 1.495 8.198 V12N-V12HA-V12HN 119.563 4.784 9.123 V12N-V12HB-V12HN 119.509 2.293 9.126 V12N-V12QG2-V12HN 119.576 0.424 9.124 R45N-R45HA-R45HN 120.392 4.496 7.564 R45N-R45HD2-R45HN 120.392 3.14 7.563 R45N-R45HB2-R45HN 120.396 1.737 7.564 R45N-R45HG2-R45HN 120.4 1.505 7.564 I56N-I56HB-I56HN 111.893 2.042 7.214 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . 'not observed' 20 ppm . . . . . . 54027 2 2 . . H 1 HN . 'not observed' 16.0221 ppm . . . . . . 54027 2 3 . . H 1 H . 'not observed' 10.4 ppm . . . . . . 54027 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 54027 2 2 $software_2 . . 54027 2 3 $software_3 . . 54027 2 stop_ save_