data_25873 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25873 _Entry.Title ; Free RSK1 683-735 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-30 _Entry.Accession_date 2015-10-30 _Entry.Last_release_date 2016-01-06 _Entry.Original_release_date 2016-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gergo Gogl . . . 25873 2 Laszlo Nyitray . . . 25873 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25873 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 44 25873 '1H chemical shifts' 44 25873 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 . . 2016-01-06 . original BMRB . 25873 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25873 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26527685 _Citation.Full_citation . _Citation.Title ; Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 1 _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 11 _Citation.Page_last 27 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gergo Gogl . . . 25873 1 2 Anita Alexa . . . 25873 1 3 Bence Kiss . . . 25873 1 4 Gergely Katona . . . 25873 1 5 Mihaly Kovacs . . . 25873 1 6 Andrea Bodor . . . 25873 1 7 Attila Remenyi . . . 25873 1 8 Laszlo Nyitray . . . 25873 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25873 _Assembly.ID 1 _Assembly.Name 'RSK1 peptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'RSK1 peptide' 1 $RSK1 A . yes 'intrinsically disordered' no no . . . 25873 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RSK1 _Entity.Sf_category entity _Entity.Sf_framecode RSK1 _Entity.Entry_ID 25873 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RSK1 _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 ; GSQSQLSHQDLQLVKGAMAA TYSALNSSKPTPQLKPIESS ILAQRRVRKLPSTTL ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_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 1 681 GLY . 25873 1 2 682 SER . 25873 1 3 683 GLN . 25873 1 4 684 SER . 25873 1 5 685 GLN . 25873 1 6 686 LEU . 25873 1 7 687 SER . 25873 1 8 688 HIS . 25873 1 9 689 GLN . 25873 1 10 690 ASP . 25873 1 11 691 LEU . 25873 1 12 692 GLN . 25873 1 13 693 LEU . 25873 1 14 694 VAL . 25873 1 15 695 LYS . 25873 1 16 696 GLY . 25873 1 17 697 ALA . 25873 1 18 698 MET . 25873 1 19 699 ALA . 25873 1 20 700 ALA . 25873 1 21 701 THR . 25873 1 22 702 TYR . 25873 1 23 703 SER . 25873 1 24 704 ALA . 25873 1 25 705 LEU . 25873 1 26 706 ASN . 25873 1 27 707 SER . 25873 1 28 708 SER . 25873 1 29 709 LYS . 25873 1 30 710 PRO . 25873 1 31 711 THR . 25873 1 32 712 PRO . 25873 1 33 713 GLN . 25873 1 34 714 LEU . 25873 1 35 715 LYS . 25873 1 36 716 PRO . 25873 1 37 717 ILE . 25873 1 38 718 GLU . 25873 1 39 719 SER . 25873 1 40 720 SER . 25873 1 41 721 ILE . 25873 1 42 722 LEU . 25873 1 43 723 ALA . 25873 1 44 724 GLN . 25873 1 45 725 ARG . 25873 1 46 726 ARG . 25873 1 47 727 VAL . 25873 1 48 728 ARG . 25873 1 49 729 LYS . 25873 1 50 730 LEU . 25873 1 51 731 PRO . 25873 1 52 732 SER . 25873 1 53 733 THR . 25873 1 54 734 THR . 25873 1 55 735 LEU . 25873 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 . GLY 1 1 25873 1 . SER 2 2 25873 1 . GLN 3 3 25873 1 . SER 4 4 25873 1 . GLN 5 5 25873 1 . LEU 6 6 25873 1 . SER 7 7 25873 1 . HIS 8 8 25873 1 . GLN 9 9 25873 1 . ASP 10 10 25873 1 . LEU 11 11 25873 1 . GLN 12 12 25873 1 . LEU 13 13 25873 1 . VAL 14 14 25873 1 . LYS 15 15 25873 1 . GLY 16 16 25873 1 . ALA 17 17 25873 1 . MET 18 18 25873 1 . ALA 19 19 25873 1 . ALA 20 20 25873 1 . THR 21 21 25873 1 . TYR 22 22 25873 1 . SER 23 23 25873 1 . ALA 24 24 25873 1 . LEU 25 25 25873 1 . ASN 26 26 25873 1 . SER 27 27 25873 1 . SER 28 28 25873 1 . LYS 29 29 25873 1 . PRO 30 30 25873 1 . THR 31 31 25873 1 . PRO 32 32 25873 1 . GLN 33 33 25873 1 . LEU 34 34 25873 1 . LYS 35 35 25873 1 . PRO 36 36 25873 1 . ILE 37 37 25873 1 . GLU 38 38 25873 1 . SER 39 39 25873 1 . SER 40 40 25873 1 . ILE 41 41 25873 1 . LEU 42 42 25873 1 . ALA 43 43 25873 1 . GLN 44 44 25873 1 . ARG 45 45 25873 1 . ARG 46 46 25873 1 . VAL 47 47 25873 1 . ARG 48 48 25873 1 . LYS 49 49 25873 1 . LEU 50 50 25873 1 . PRO 51 51 25873 1 . SER 52 52 25873 1 . THR 53 53 25873 1 . THR 54 54 25873 1 . LEU 55 55 25873 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 25873 _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 $RSK1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25873 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 25873 _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 $RSK1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 25873 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25873 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 RSK1 '[U-99% 15N]' . . 1 $RSK1 . . 0.9 . . mM 0.1 . . . 25873 1 2 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 25873 1 3 'MES buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 25873 1 4 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 25873 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 25873 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 25873 _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 'ionic strength' 20 . mM 25873 1 pH 6 . pH 25873 1 pressure 1 . atm 25873 1 temperature 303 . K 25873 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25873 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25873 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25873 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25873 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25873 _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 Bruker Avance . 700 . . . 25873 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 25873 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25873 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25873 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25873 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25873 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25873 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 HSQC' . . . 25873 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 GLY H H 1 8.148 0.02 . 1 . . . . 681 G H . 25873 1 2 . 1 1 1 1 GLY N N 15 115.578 0.3 . 1 . . . . 681 G N . 25873 1 3 . 1 1 2 2 SER H H 1 8.344 0.02 . 1 . . . . 682 S H . 25873 1 4 . 1 1 2 2 SER N N 15 115.626 0.3 . 1 . . . . 682 S N . 25873 1 5 . 1 1 5 5 GLN H H 1 8.422 0.02 . 1 . . . . 685 Q H . 25873 1 6 . 1 1 5 5 GLN N N 15 120.856 0.3 . 1 . . . . 685 Q N . 25873 1 7 . 1 1 6 6 LEU H H 1 8.181 0.02 . 1 . . . . 686 L H . 25873 1 8 . 1 1 6 6 LEU N N 15 122.762 0.3 . 1 . . . . 686 L N . 25873 1 9 . 1 1 7 7 SER H H 1 8.307 0.02 . 1 . . . . 687 S H . 25873 1 10 . 1 1 7 7 SER N N 15 116.385 0.3 . 1 . . . . 687 S N . 25873 1 11 . 1 1 9 9 GLN H H 1 8.405 0.02 . 1 . . . . 689 Q H . 25873 1 12 . 1 1 9 9 GLN N N 15 122.289 0.3 . 1 . . . . 689 Q N . 25873 1 13 . 1 1 10 10 ASP H H 1 8.400 0.02 . 1 . . . . 690 D H . 25873 1 14 . 1 1 10 10 ASP N N 15 121.876 0.3 . 1 . . . . 690 D N . 25873 1 15 . 1 1 11 11 LEU H H 1 8.183 0.02 . 1 . . . . 691 L H . 25873 1 16 . 1 1 11 11 LEU N N 15 122.941 0.3 . 1 . . . . 691 L N . 25873 1 17 . 1 1 12 12 GLN H H 1 8.291 0.02 . 1 . . . . 692 Q H . 25873 1 18 . 1 1 12 12 GLN N N 15 119.889 0.3 . 1 . . . . 692 Q N . 25873 1 19 . 1 1 13 13 LEU H H 1 8.016 0.02 . 1 . . . . 693 L H . 25873 1 20 . 1 1 13 13 LEU N N 15 122.237 0.3 . 1 . . . . 693 L N . 25873 1 21 . 1 1 14 14 VAL H H 1 7.943 0.02 . 1 . . . . 694 V H . 25873 1 22 . 1 1 14 14 VAL N N 15 120.717 0.3 . 1 . . . . 694 V N . 25873 1 23 . 1 1 15 15 LYS H H 1 8.326 0.02 . 1 . . . . 695 K H . 25873 1 24 . 1 1 15 15 LYS N N 15 124.807 0.3 . 1 . . . . 695 K N . 25873 1 25 . 1 1 16 16 GLY H H 1 8.345 0.02 . 1 . . . . 696 G H . 25873 1 26 . 1 1 16 16 GLY N N 15 109.980 0.3 . 1 . . . . 696 G N . 25873 1 27 . 1 1 17 17 ALA H H 1 8.218 0.02 . 1 . . . . 697 A H . 25873 1 28 . 1 1 17 17 ALA N N 15 126.152 0.3 . 1 . . . . 697 A N . 25873 1 29 . 1 1 18 18 MET H H 1 8.284 0.02 . 1 . . . . 698 M H . 25873 1 30 . 1 1 18 18 MET N N 15 119.063 0.3 . 1 . . . . 698 M N . 25873 1 31 . 1 1 19 19 ALA H H 1 8.181 0.02 . 1 . . . . 699 A H . 25873 1 32 . 1 1 19 19 ALA N N 15 124.907 0.3 . 1 . . . . 699 A N . 25873 1 33 . 1 1 20 20 ALA H H 1 8.192 0.02 . 1 . . . . 700 A H . 25873 1 34 . 1 1 20 20 ALA N N 15 126.994 0.3 . 1 . . . . 700 A N . 25873 1 35 . 1 1 21 21 THR H H 1 7.926 0.02 . 1 . . . . 701 T H . 25873 1 36 . 1 1 21 21 THR N N 15 112.654 0.3 . 1 . . . . 701 T N . 25873 1 37 . 1 1 22 22 TYR H H 1 8.099 0.02 . 1 . . . . 702 Y H . 25873 1 38 . 1 1 22 22 TYR N N 15 122.317 0.3 . 1 . . . . 702 Y N . 25873 1 39 . 1 1 23 23 SER H H 1 8.098 0.02 . 1 . . . . 703 S H . 25873 1 40 . 1 1 23 23 SER N N 15 117.624 0.3 . 1 . . . . 703 S N . 25873 1 41 . 1 1 24 24 ALA H H 1 8.035 0.02 . 1 . . . . 704 A H . 25873 1 42 . 1 1 24 24 ALA N N 15 120.234 0.3 . 1 . . . . 704 A N . 25873 1 43 . 1 1 25 25 LEU H H 1 7.732 0.02 . 1 . . . . 705 L H . 25873 1 44 . 1 1 25 25 LEU N N 15 126.980 0.3 . 1 . . . . 705 L N . 25873 1 45 . 1 1 26 26 ASN H H 1 8.247 0.02 . 1 . . . . 706 N H . 25873 1 46 . 1 1 26 26 ASN N N 15 118.827 0.3 . 1 . . . . 706 N N . 25873 1 47 . 1 1 27 27 SER H H 1 8.146 0.02 . 1 . . . . 707 S H . 25873 1 48 . 1 1 27 27 SER N N 15 115.867 0.3 . 1 . . . . 707 S N . 25873 1 49 . 1 1 28 28 SER H H 1 8.388 0.02 . 1 . . . . 708 S H . 25873 1 50 . 1 1 28 28 SER N N 15 118.379 0.3 . 1 . . . . 708 S N . 25873 1 51 . 1 1 29 29 LYS H H 1 8.177 0.02 . 1 . . . . 709 K H . 25873 1 52 . 1 1 29 29 LYS N N 15 124.015 0.3 . 1 . . . . 709 K N . 25873 1 53 . 1 1 31 31 THR H H 1 8.310 0.02 . 1 . . . . 711 T H . 25873 1 54 . 1 1 31 31 THR N N 15 117.425 0.3 . 1 . . . . 711 T N . 25873 1 55 . 1 1 33 33 GLN H H 1 8.339 0.02 . 1 . . . . 713 Q H . 25873 1 56 . 1 1 33 33 GLN N N 15 121.142 0.3 . 1 . . . . 713 Q N . 25873 1 57 . 1 1 34 34 LEU H H 1 8.250 0.02 . 1 . . . . 714 L H . 25873 1 58 . 1 1 34 34 LEU N N 15 124.307 0.3 . 1 . . . . 714 L N . 25873 1 59 . 1 1 35 35 LYS H H 1 8.288 0.02 . 1 . . . . 715 K H . 25873 1 60 . 1 1 35 35 LYS N N 15 123.688 0.3 . 1 . . . . 715 K N . 25873 1 61 . 1 1 37 37 ILE H H 1 7.956 0.02 . 1 . . . . 717 I H . 25873 1 62 . 1 1 37 37 ILE N N 15 122.347 0.3 . 1 . . . . 717 I N . 25873 1 63 . 1 1 38 38 GLU H H 1 8.476 0.02 . 1 . . . . 718 E H . 25873 1 64 . 1 1 38 38 GLU N N 15 125.271 0.3 . 1 . . . . 718 E N . 25873 1 65 . 1 1 40 40 SER H H 1 8.354 0.02 . 1 . . . . 720 S H . 25873 1 66 . 1 1 40 40 SER N N 15 117.038 0.3 . 1 . . . . 720 S N . 25873 1 67 . 1 1 41 41 ILE H H 1 8.233 0.02 . 1 . . . . 721 I H . 25873 1 68 . 1 1 41 41 ILE N N 15 121.231 0.3 . 1 . . . . 721 I N . 25873 1 69 . 1 1 43 43 ALA H H 1 8.113 0.02 . 1 . . . . 723 A H . 25873 1 70 . 1 1 43 43 ALA N N 15 123.721 0.3 . 1 . . . . 723 A N . 25873 1 71 . 1 1 44 44 GLN H H 1 8.018 0.02 . 1 . . . . 724 Q H . 25873 1 72 . 1 1 44 44 GLN N N 15 117.936 0.3 . 1 . . . . 724 Q N . 25873 1 73 . 1 1 46 46 ARG H H 1 8.133 0.02 . 1 . . . . 726 R H . 25873 1 74 . 1 1 46 46 ARG N N 15 121.537 0.3 . 1 . . . . 726 R N . 25873 1 75 . 1 1 47 47 VAL H H 1 8.037 0.02 . 1 . . . . 727 V H . 25873 1 76 . 1 1 47 47 VAL N N 15 121.104 0.3 . 1 . . . . 727 V N . 25873 1 77 . 1 1 48 48 ARG H H 1 8.082 0.02 . 1 . . . . 728 R H . 25873 1 78 . 1 1 48 48 ARG N N 15 120.756 0.3 . 1 . . . . 728 R N . 25873 1 79 . 1 1 49 49 LYS H H 1 8.309 0.02 . 1 . . . . 729 K H . 25873 1 80 . 1 1 49 49 LYS N N 15 125.107 0.3 . 1 . . . . 729 K N . 25873 1 81 . 1 1 50 50 LEU H H 1 8.325 0.02 . 1 . . . . 730 L H . 25873 1 82 . 1 1 50 50 LEU N N 15 125.685 0.3 . 1 . . . . 730 L N . 25873 1 83 . 1 1 53 53 THR H H 1 8.022 0.02 . 1 . . . . 733 T H . 25873 1 84 . 1 1 53 53 THR N N 15 122.936 0.3 . 1 . . . . 733 T N . 25873 1 85 . 1 1 54 54 THR H H 1 8.155 0.02 . 1 . . . . 734 T H . 25873 1 86 . 1 1 54 54 THR N N 15 117.060 0.3 . 1 . . . . 734 T N . 25873 1 87 . 1 1 55 55 LEU H H 1 7.920 0.02 . 1 . . . . 735 L H . 25873 1 88 . 1 1 55 55 LEU N N 15 130.640 0.3 . 1 . . . . 735 L N . 25873 1 stop_ save_