data_52160 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52160 _Entry.Title ; MRE11 565_595 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-02 _Entry.Accession_date 2023-10-02 _Entry.Last_release_date 2023-10-02 _Entry.Original_release_date 2023-10-02 _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 Sinem Usluer . . . . 52160 2 Tobias Madl . . . . 52160 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52160 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 27 52160 '15N chemical shifts' 23 52160 '1H chemical shifts' 22 52160 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 . . 2023-12-27 . original BMRB . 52160 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52160 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38123020 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Disordered regions mediate the interaction of p53 and MRE11 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Mol. Cell Res.' _Citation.Journal_name_full 'Biochimica et biophysica acta. Molecular cell research' _Citation.Journal_volume 1871 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-2596 _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 119654 _Citation.Page_last 119654 _Citation.Year 2023 _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 Sinem Usluer . . . . 52160 1 2 Markus Galhuber . . . . 52160 1 3 Yukti Khanna . . . . 52160 1 4 Benjamin Bourgeois . . . . 52160 1 5 Emil Spreitzer . . . . 52160 1 6 Helene Michenthaler . . . . 52160 1 7 Andreas Prokesch . . . . 52160 1 8 Tobias Madl . . . . 52160 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52160 _Assembly.ID 1 _Assembly.Name MRE11 _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 . _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 MRE11 1 $entity_1 . . yes native no no . . . 52160 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52160 _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 ; TNKGRGRGRGRRGGRGQNSA SRGGSQRGRA ; _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 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 566 THR . 52160 1 2 567 ASN . 52160 1 3 568 LYS . 52160 1 4 569 GLY . 52160 1 5 570 ARG . 52160 1 6 571 GLY . 52160 1 7 572 ARG . 52160 1 8 573 GLY . 52160 1 9 574 ARG . 52160 1 10 575 GLY . 52160 1 11 576 ARG . 52160 1 12 577 ARG . 52160 1 13 578 GLY . 52160 1 14 579 GLY . 52160 1 15 580 ARG . 52160 1 16 581 GLY . 52160 1 17 582 GLN . 52160 1 18 583 ASN . 52160 1 19 584 SER . 52160 1 20 585 ALA . 52160 1 21 586 SER . 52160 1 22 587 ARG . 52160 1 23 588 GLY . 52160 1 24 589 GLY . 52160 1 25 590 SER . 52160 1 26 591 GLN . 52160 1 27 592 ARG . 52160 1 28 593 GLY . 52160 1 29 594 ARG . 52160 1 30 595 ALA . 52160 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 . THR 1 1 52160 1 . ASN 2 2 52160 1 . LYS 3 3 52160 1 . GLY 4 4 52160 1 . ARG 5 5 52160 1 . GLY 6 6 52160 1 . ARG 7 7 52160 1 . GLY 8 8 52160 1 . ARG 9 9 52160 1 . GLY 10 10 52160 1 . ARG 11 11 52160 1 . ARG 12 12 52160 1 . GLY 13 13 52160 1 . GLY 14 14 52160 1 . ARG 15 15 52160 1 . GLY 16 16 52160 1 . GLN 17 17 52160 1 . ASN 18 18 52160 1 . SER 19 19 52160 1 . ALA 20 20 52160 1 . SER 21 21 52160 1 . ARG 22 22 52160 1 . GLY 23 23 52160 1 . GLY 24 24 52160 1 . SER 25 25 52160 1 . GLN 26 26 52160 1 . ARG 27 27 52160 1 . GLY 28 28 52160 1 . ARG 29 29 52160 1 . ALA 30 30 52160 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 52160 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52160 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 52160 _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 . . pETM11 . . . 52160 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52160 _Sample.ID 1 _Sample.Name MRE11 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 MRE11 '[U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52160 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52160 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 52160 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _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 . M 52160 1 pH 6.5 . pH 52160 1 pressure 1 . atm 52160 1 temperature 298K . K 52160 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52160 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52160 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52160 _Software.ID 2 _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' . 52160 2 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 52160 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Advance III NEO 600 MHz' _NMR_spectrometer.Details . _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 52160 _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 HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52160 1 2 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52160 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52160 1 4 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52160 1 5 '3D HN(CAN)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52160 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 52160 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name CR1 _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 C 13 glucose 'methyl carbons' . . . . ppm 41 external direct 1 . . . . . 52160 1 H 1 water protons . . . . ppm 4.7 external direct 1 . . . . . 52160 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 117 external direct 1 . . . . . 52160 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 52160 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name MRE11_565_595_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 2 '3D CBCA(CO)NH' . . . 52160 1 3 '3D HNCACB' . . . 52160 1 4 '2D 1H-13C HSQC/HMQC' . . . 52160 1 5 '3D HN(CAN)NH' . . . 52160 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 . . 52160 1 2 $software_2 . . 52160 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 1 1 THR CA C 13 61.806 0.071 . . . . . . . 566 T CA . 52160 1 2 . 1 . 1 1 1 THR CB C 13 69.678 0.064 . . . . . . . 566 T CB . 52160 1 3 . 1 . 1 1 1 THR N N 15 113.302 0.002 . . . . . . . 566 T N . 52160 1 4 . 1 . 1 2 2 ASN H H 1 8.508 0.005 . . . . . . . 567 N HN . 52160 1 5 . 1 . 1 2 2 ASN CA C 13 53.320 0.000 . . . . . . . 567 N CA . 52160 1 6 . 1 . 1 2 2 ASN CB C 13 38.643 0.000 . . . . . . . 567 N CB . 52160 1 7 . 1 . 1 2 2 ASN N N 15 121.089 0.002 . . . . . . . 567 N N . 52160 1 8 . 1 . 1 3 3 LYS H H 1 8.496 0.000 . . . . . . . 568 K HN . 52160 1 9 . 1 . 1 3 3 LYS N N 15 119.817 0.000 . . . . . . . 568 K N . 52160 1 10 . 1 . 1 10 10 GLY H H 1 8.533 0.000 . . . . . . . 575 G HN . 52160 1 11 . 1 . 1 10 10 GLY N N 15 109.946 0.000 . . . . . . . 575 G N . 52160 1 12 . 1 . 1 11 11 ARG H H 1 8.274 0.000 . . . . . . . 576 R HN . 52160 1 13 . 1 . 1 11 11 ARG N N 15 120.908 0.000 . . . . . . . 576 R N . 52160 1 14 . 1 . 1 12 12 ARG H H 1 8.520 0.000 . . . . . . . 577 R HN . 52160 1 15 . 1 . 1 12 12 ARG N N 15 122.548 0.000 . . . . . . . 577 R N . 52160 1 16 . 1 . 1 13 13 GLY H H 1 8.444 0.000 . . . . . . . 578 G HN . 52160 1 17 . 1 . 1 13 13 GLY N N 15 110.151 0.000 . . . . . . . 578 G N . 52160 1 18 . 1 . 1 14 14 GLY H H 1 8.277 0.000 . . . . . . . 579 G HN . 52160 1 19 . 1 . 1 14 14 GLY N N 15 108.761 0.000 . . . . . . . 579 G N . 52160 1 20 . 1 . 1 15 15 ARG H H 1 8.336 0.000 . . . . . . . 580 R HN . 52160 1 21 . 1 . 1 15 15 ARG N N 15 120.539 0.000 . . . . . . . 580 R N . 52160 1 22 . 1 . 1 16 16 GLY H H 1 8.532 0.000 . . . . . . . 581 G HN . 52160 1 23 . 1 . 1 16 16 GLY N N 15 110.026 0.000 . . . . . . . 581 G N . 52160 1 24 . 1 . 1 17 17 GLN CA C 13 55.483 0.003 . . . . . . . 582 Q CA . 52160 1 25 . 1 . 1 17 17 GLN CB C 13 29.693 0.097 . . . . . . . 582 Q CB . 52160 1 26 . 1 . 1 18 18 ASN H H 1 8.116 0.000 . . . . . . . 583 N HN . 52160 1 27 . 1 . 1 18 18 ASN CA C 13 54.794 0.000 . . . . . . . 583 N CA . 52160 1 28 . 1 . 1 18 18 ASN CB C 13 40.603 0.000 . . . . . . . 583 N CB . 52160 1 29 . 1 . 1 18 18 ASN N N 15 125.370 0.000 . . . . . . . 583 N N . 52160 1 30 . 1 . 1 19 19 SER H H 1 8.263 0.001 . . . . . . . 584 S HN . 52160 1 31 . 1 . 1 19 19 SER CA C 13 58.671 0.083 . . . . . . . 584 S CA . 52160 1 32 . 1 . 1 19 19 SER CB C 13 63.678 0.047 . . . . . . . 584 S CB . 52160 1 33 . 1 . 1 19 19 SER N N 15 116.569 0.001 . . . . . . . 584 S N . 52160 1 34 . 1 . 1 20 20 ALA H H 1 8.309 0.001 . . . . . . . 585 A HN . 52160 1 35 . 1 . 1 20 20 ALA CA C 13 52.704 0.034 . . . . . . . 585 A CA . 52160 1 36 . 1 . 1 20 20 ALA CB C 13 18.994 0.000 . . . . . . . 585 A CB . 52160 1 37 . 1 . 1 20 20 ALA N N 15 125.719 0.002 . . . . . . . 585 A N . 52160 1 38 . 1 . 1 21 21 SER H H 1 8.138 0.002 . . . . . . . 586 S HN . 52160 1 39 . 1 . 1 21 21 SER CA C 13 58.456 0.009 . . . . . . . 586 S CA . 52160 1 40 . 1 . 1 21 21 SER CB C 13 63.567 0.033 . . . . . . . 586 S CB . 52160 1 41 . 1 . 1 21 21 SER N N 15 114.749 0.003 . . . . . . . 586 S N . 52160 1 42 . 1 . 1 22 22 ARG H H 1 8.301 0.001 . . . . . . . 587 R HN . 52160 1 43 . 1 . 1 22 22 ARG CA C 13 56.265 0.033 . . . . . . . 587 R CA . 52160 1 44 . 1 . 1 22 22 ARG CB C 13 30.494 0.033 . . . . . . . 587 R CB . 52160 1 45 . 1 . 1 22 22 ARG N N 15 122.971 0.001 . . . . . . . 587 R N . 52160 1 46 . 1 . 1 23 23 GLY H H 1 8.358 0.001 . . . . . . . 588 G HN . 52160 1 47 . 1 . 1 23 23 GLY CA C 13 45.244 0.033 . . . . . . . 588 G CA . 52160 1 48 . 1 . 1 23 23 GLY N N 15 109.650 0.001 . . . . . . . 588 G N . 52160 1 49 . 1 . 1 24 24 GLY H H 1 8.244 0.003 . . . . . . . 589 G HN . 52160 1 50 . 1 . 1 24 24 GLY CA C 13 45.184 0.069 . . . . . . . 589 G CA . 52160 1 51 . 1 . 1 24 24 GLY N N 15 108.831 0.001 . . . . . . . 589 G N . 52160 1 52 . 1 . 1 25 25 SER H H 1 8.269 0.003 . . . . . . . 590 S HN . 52160 1 53 . 1 . 1 25 25 SER CA C 13 58.508 0.022 . . . . . . . 590 S CA . 52160 1 54 . 1 . 1 25 25 SER CB C 13 63.712 0.023 . . . . . . . 590 S CB . 52160 1 55 . 1 . 1 25 25 SER N N 15 115.701 0.002 . . . . . . . 590 S N . 52160 1 56 . 1 . 1 26 26 GLN H H 1 8.435 0.001 . . . . . . . 591 Q HN . 52160 1 57 . 1 . 1 26 26 GLN CA C 13 55.788 0.004 . . . . . . . 591 Q CA . 52160 1 58 . 1 . 1 26 26 GLN CB C 13 29.132 0.005 . . . . . . . 591 Q CB . 52160 1 59 . 1 . 1 26 26 GLN N N 15 122.121 0.001 . . . . . . . 591 Q N . 52160 1 60 . 1 . 1 27 27 ARG H H 1 8.280 0.002 . . . . . . . 592 R HN . 52160 1 61 . 1 . 1 27 27 ARG CA C 13 56.358 0.028 . . . . . . . 592 R CA . 52160 1 62 . 1 . 1 27 27 ARG CB C 13 30.550 0.033 . . . . . . . 592 R CB . 52160 1 63 . 1 . 1 27 27 ARG N N 15 122.099 0.042 . . . . . . . 592 R N . 52160 1 64 . 1 . 1 28 28 GLY H H 1 8.393 0.001 . . . . . . . 593 G HN . 52160 1 65 . 1 . 1 28 28 GLY CA C 13 45.172 0.056 . . . . . . . 593 G CA . 52160 1 66 . 1 . 1 28 28 GLY N N 15 110.250 0.000 . . . . . . . 593 G N . 52160 1 67 . 1 . 1 29 29 ARG H H 1 8.053 0.002 . . . . . . . 594 R HN . 52160 1 68 . 1 . 1 29 29 ARG CA C 13 55.884 0.000 . . . . . . . 594 R CA . 52160 1 69 . 1 . 1 29 29 ARG CB C 13 30.892 0.000 . . . . . . . 594 R CB . 52160 1 70 . 1 . 1 29 29 ARG N N 15 120.830 0.001 . . . . . . . 594 R N . 52160 1 71 . 1 . 1 30 30 ALA H H 1 7.948 0.000 . . . . . . . 595 A HN . 52160 1 72 . 1 . 1 30 30 ALA N N 15 110.969 0.000 . . . . . . . 595 A N . 52160 1 stop_ save_