data_16274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16274 _Entry.Title ; SLBP PAPA peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-04 _Entry.Accession_date 2009-05-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Assignments for a 20-residue peptide from the RNA binding domain of SLBP that is phosphorylated and undergoes prolyl isomerization.' _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 Roopa Thapar . . . 16274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 17 16274 '1H chemical shifts' 110 16274 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 2 . . 2014-05-16 2009-05-04 update BMRB 'update entry citation' 16274 1 . . 2012-08-06 2009-05-04 original author 'original release' 16274 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16274 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22907757 _Citation.Full_citation . _Citation.Title 'The prolyl isomerase Pin1 targets stem-loop binding protein (SLBP) to dissociate the SLBP-histone mRNA complex linking histone mRNA decay with SLBP ubiquitination.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell. Biol.' _Citation.Journal_name_full 'Molecular and cellular biology' _Citation.Journal_volume 32 _Citation.Journal_issue 21 _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 4306 _Citation.Page_last 4322 _Citation.Year 2012 _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 Nithya Krishnan . . . 16274 1 2 Tukiet Lam . T. . 16274 1 3 Andrew Fritz . . . 16274 1 4 Donald Rempinski . . . 16274 1 5 Kieran Minderman . . . 16274 1 6 Hans Berezney . . . 16274 1 7 Ronald Marzluff . . . 16274 1 8 William Thapar . F. . 16274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16274 _Assembly.ID 1 _Assembly.Name SLBP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 2432.8 _Assembly.Enzyme_commission_number . _Assembly.Details 'peptide from the RNA binding domain of Stem-Loop Binding Protein' _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 SLBP 1 $SLBP A . yes native no no . . . 16274 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 GenBank NP_006518 . . 'solution NMR' . . 'Only chemical shifts are being deposited. No structure is being deposited for this peptide' 16274 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA binding' 16274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SLBP _Entity.Sf_category entity _Entity.Sf_framecode SLBP _Entity.Entry_ID 16274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SLBP _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 ; HLRQPGIHAAKTANKFKKYS R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq H161-R180 _Entity.Polymer_author_seq_details 'Phosphorylation site in the RNA binding domain of SLBP that exhibits phosphorylation-dependent prolyl isomerization' _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 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'SLBP PAPA peptide' _Entity.Mutation 'Prolines have been changed to alanine' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB NP_006518 . SLBP . . . . . . . . . . . . . . 16274 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Histone mRNA binding and processing. Protein is required for processing, export, and translation of replication-dependent histone mRNAs' 16274 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HIS . 16274 1 2 . LEU . 16274 1 3 . ARG . 16274 1 4 . GLN . 16274 1 5 . PRO . 16274 1 6 . GLY . 16274 1 7 . ILE . 16274 1 8 . HIS . 16274 1 9 . ALA . 16274 1 10 . ALA . 16274 1 11 . LYS . 16274 1 12 . THR . 16274 1 13 . ALA . 16274 1 14 . ASN . 16274 1 15 . LYS . 16274 1 16 . PHE . 16274 1 17 . LYS . 16274 1 18 . LYS . 16274 1 19 . TYR . 16274 1 20 . SER . 16274 1 21 . ARG . 16274 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 . HIS 1 1 16274 1 . LEU 2 2 16274 1 . ARG 3 3 16274 1 . GLN 4 4 16274 1 . PRO 5 5 16274 1 . GLY 6 6 16274 1 . ILE 7 7 16274 1 . HIS 8 8 16274 1 . ALA 9 9 16274 1 . ALA 10 10 16274 1 . LYS 11 11 16274 1 . THR 12 12 16274 1 . ALA 13 13 16274 1 . ASN 14 14 16274 1 . LYS 15 15 16274 1 . PHE 16 16 16274 1 . LYS 17 17 16274 1 . LYS 18 18 16274 1 . TYR 19 19 16274 1 . SER 20 20 16274 1 . ARG 21 21 16274 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 16274 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SLBP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'Stem-Loop Binding Protein' . . . . 16274 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 16274 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SLBP . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Peptide was synthesized and not expressed' . . 16274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16274 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris acetate, 50 mM NaCl, 90% H2O' _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 'SLBP PAPA peptide' 'natural abundance' . . 1 $SLBP . . 5 . . mM . . . . 16274 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16274 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16274 1 4 'Tris acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16274 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16274 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 16274 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20 mM Tris acetate buffer, 50 mM NaCl, 90% H2O, pH 5 ; 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' 50 . mM 16274 1 pH 5 0.05 pH 16274 1 pressure 1 . atm 16274 1 temperature 278 0.2 K 16274 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16274 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16274 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16274 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 16274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16274 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16274 _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 Varian INOVA . 700 . . . 16274 1 2 spectrometer_2 Varian INOVA . 600 . . . 16274 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 16274 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16274 1 2 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16274 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16274 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16274 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 16274 _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 external direct 1.00 . . . . . . . . . 16274 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 16274 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 16274 _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-1H TOCSY' . . . 16274 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 $Felix . . 16274 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 HIS H H 1 8.02 0.02 . 1 . . . . 1 HIS H . 16274 1 2 . 1 1 1 1 HIS N N 15 121.55 0.05 . 1 . . . . 1 HIS N . 16274 1 3 . 1 1 2 2 LEU H H 1 8.68 0.02 . 1 . . . . 2 LEU H . 16274 1 4 . 1 1 2 2 LEU HA H 1 4.19 0.02 . 1 . . . . 2 LEU HA . 16274 1 5 . 1 1 2 2 LEU HB2 H 1 1.41 0.02 . 1 . . . . 2 LEU HB2 . 16274 1 6 . 1 1 2 2 LEU HB3 H 1 1.41 0.02 . 1 . . . . 2 LEU HB3 . 16274 1 7 . 1 1 2 2 LEU HD11 H 1 0.73 0.02 . 1 . . . . 2 LEU HD1 . 16274 1 8 . 1 1 2 2 LEU HD12 H 1 0.73 0.02 . 1 . . . . 2 LEU HD1 . 16274 1 9 . 1 1 2 2 LEU HD13 H 1 0.73 0.02 . 1 . . . . 2 LEU HD1 . 16274 1 10 . 1 1 2 2 LEU HD21 H 1 0.69 0.02 . 1 . . . . 2 LEU HD2 . 16274 1 11 . 1 1 2 2 LEU HD22 H 1 0.69 0.02 . 1 . . . . 2 LEU HD2 . 16274 1 12 . 1 1 2 2 LEU HD23 H 1 0.69 0.02 . 1 . . . . 2 LEU HD2 . 16274 1 13 . 1 1 2 2 LEU HG H 1 1.37 0.02 . 1 . . . . 2 LEU HG . 16274 1 14 . 1 1 2 2 LEU N N 15 126.66 0.05 . 1 . . . . 2 LEU N . 16274 1 15 . 1 1 3 3 ARG H H 1 8.54 0.02 . 1 . . . . 3 ARG H . 16274 1 16 . 1 1 3 3 ARG HA H 1 4.13 0.02 . 1 . . . . 3 ARG HA . 16274 1 17 . 1 1 3 3 ARG HB2 H 1 1.60 0.02 . 1 . . . . 3 ARG HB2 . 16274 1 18 . 1 1 3 3 ARG HB3 H 1 1.60 0.02 . 1 . . . . 3 ARG HB3 . 16274 1 19 . 1 1 3 3 ARG HD2 H 1 3.00 0.02 . 1 . . . . 3 ARG HD2 . 16274 1 20 . 1 1 3 3 ARG HD3 H 1 3.00 0.02 . 1 . . . . 3 ARG HD3 . 16274 1 21 . 1 1 3 3 ARG HG2 H 1 1.47 0.02 . 1 . . . . 3 ARG HG2 . 16274 1 22 . 1 1 3 3 ARG HG3 H 1 1.41 0.02 . 1 . . . . 3 ARG HG3 . 16274 1 23 . 1 1 3 3 ARG N N 15 125.21 0.05 . 1 . . . . 3 ARG N . 16274 1 24 . 1 1 4 4 GLN H H 1 8.47 0.02 . 1 . . . . 4 GLN H . 16274 1 25 . 1 1 4 4 GLN HA H 1 4.43 0.02 . 1 . . . . 4 GLN HA . 16274 1 26 . 1 1 4 4 GLN HB2 H 1 1.89 0.02 . 1 . . . . 4 GLN HB2 . 16274 1 27 . 1 1 4 4 GLN HB3 H 1 1.74 0.02 . 1 . . . . 4 GLN HB3 . 16274 1 28 . 1 1 4 4 GLN HG2 H 1 2.19 0.02 . 1 . . . . 4 GLN HG2 . 16274 1 29 . 1 1 4 4 GLN HG3 H 1 2.19 0.02 . 1 . . . . 4 GLN HG3 . 16274 1 30 . 1 1 4 4 GLN N N 15 125.04 0.05 . 1 . . . . 4 GLN N . 16274 1 31 . 1 1 6 6 GLY H H 1 8.38 0.02 . 1 . . . . 6 GLY H . 16274 1 32 . 1 1 6 6 GLY HA2 H 1 3.76 0.02 . 1 . . . . 6 GLY HA2 . 16274 1 33 . 1 1 6 6 GLY HA3 H 1 3.72 0.02 . 1 . . . . 6 GLY HA3 . 16274 1 34 . 1 1 6 6 GLY N N 15 110.27 0.05 . 1 . . . . 6 GLY N . 16274 1 35 . 1 1 7 7 ILE H H 1 7.87 0.02 . 1 . . . . 7 ILE H . 16274 1 36 . 1 1 7 7 ILE HA H 1 3.91 0.02 . 1 . . . . 7 ILE HA . 16274 1 37 . 1 1 7 7 ILE HB H 1 1.60 0.02 . 1 . . . . 7 ILE HB . 16274 1 38 . 1 1 7 7 ILE HD11 H 1 0.62 0.02 . 1 . . . . 7 ILE HD1 . 16274 1 39 . 1 1 7 7 ILE HD12 H 1 0.62 0.02 . 1 . . . . 7 ILE HD1 . 16274 1 40 . 1 1 7 7 ILE HD13 H 1 0.62 0.02 . 1 . . . . 7 ILE HD1 . 16274 1 41 . 1 1 7 7 ILE HG12 H 1 1.11 0.02 . 1 . . . . 7 ILE HG12 . 16274 1 42 . 1 1 7 7 ILE HG13 H 1 0.93 0.02 . 1 . . . . 7 ILE HG13 . 16274 1 43 . 1 1 7 7 ILE N N 15 121.08 0.05 . 1 . . . . 7 ILE N . 16274 1 44 . 1 1 8 8 HIS H H 1 8.55 0.02 . 1 . . . . 8 HIS H . 16274 1 45 . 1 1 8 8 HIS HA H 1 4.55 0.02 . 1 . . . . 8 HIS HA . 16274 1 46 . 1 1 8 8 HIS HB2 H 1 3.06 0.02 . 1 . . . . 8 HIS HB2 . 16274 1 47 . 1 1 8 8 HIS HB3 H 1 2.95 0.02 . 1 . . . . 8 HIS HB3 . 16274 1 48 . 1 1 8 8 HIS N N 15 124.05 0.05 . 1 . . . . 8 HIS N . 16274 1 49 . 1 1 9 9 ALA H H 1 8.29 0.02 . 1 . . . . 9 ALA H . 16274 1 50 . 1 1 9 9 ALA HA H 1 4.11 0.02 . 1 . . . . 9 ALA HA . 16274 1 51 . 1 1 9 9 ALA HB1 H 1 1.18 0.02 . 1 . . . . 9 ALA HB . 16274 1 52 . 1 1 9 9 ALA HB2 H 1 1.18 0.02 . 1 . . . . 9 ALA HB . 16274 1 53 . 1 1 9 9 ALA HB3 H 1 1.18 0.02 . 1 . . . . 9 ALA HB . 16274 1 54 . 1 1 9 9 ALA N N 15 127.05 0.05 . 1 . . . . 9 ALA N . 16274 1 55 . 1 1 10 10 ALA H H 1 8.25 0.02 . 1 . . . . 10 ALA H . 16274 1 56 . 1 1 10 10 ALA HA H 1 4.10 0.02 . 1 . . . . 10 ALA HA . 16274 1 57 . 1 1 10 10 ALA HB1 H 1 1.20 0.02 . 1 . . . . 10 ALA HB . 16274 1 58 . 1 1 10 10 ALA HB2 H 1 1.20 0.02 . 1 . . . . 10 ALA HB . 16274 1 59 . 1 1 10 10 ALA HB3 H 1 1.20 0.02 . 1 . . . . 10 ALA HB . 16274 1 60 . 1 1 11 11 LYS H H 1 8.41 0.02 . 1 . . . . 11 LYS H . 16274 1 61 . 1 1 11 11 LYS HA H 1 4.16 0.02 . 1 . . . . 11 LYS HA . 16274 1 62 . 1 1 11 11 LYS HB2 H 1 1.65 0.02 . 1 . . . . 11 LYS HB2 . 16274 1 63 . 1 1 11 11 LYS HD2 H 1 1.59 0.02 . 1 . . . . 11 LYS HD2 . 16274 1 64 . 1 1 11 11 LYS HD3 H 1 1.50 0.02 . 1 . . . . 11 LYS HD3 . 16274 1 65 . 1 1 11 11 LYS HE2 H 1 3.06 0.02 . 1 . . . . 11 LYS HE2 . 16274 1 66 . 1 1 11 11 LYS HE3 H 1 2.80 0.02 . 1 . . . . 11 LYS HE3 . 16274 1 67 . 1 1 11 11 LYS HG2 H 1 1.30 0.02 . 1 . . . . 11 LYS HG2 . 16274 1 68 . 1 1 11 11 LYS HG3 H 1 1.24 0.02 . 1 . . . . 11 LYS HG3 . 16274 1 69 . 1 1 12 12 THR H H 1 8.07 0.02 . 1 . . . . 12 THR H . 16274 1 70 . 1 1 12 12 THR HA H 1 4.00 0.02 . 1 . . . . 12 THR HA . 16274 1 71 . 1 1 12 12 THR HB H 1 4.11 0.02 . 1 . . . . 12 THR HB . 16274 1 72 . 1 1 12 12 THR N N 15 117.13 0.05 . 1 . . . . 12 THR N . 16274 1 73 . 1 1 13 13 ALA H H 1 8.34 0.02 . 1 . . . . 13 ALA H . 16274 1 74 . 1 1 13 13 ALA HA H 1 4.11 0.02 . 1 . . . . 13 ALA HA . 16274 1 75 . 1 1 13 13 ALA HB1 H 1 1.19 0.02 . 1 . . . . 13 ALA HB . 16274 1 76 . 1 1 13 13 ALA HB2 H 1 1.19 0.02 . 1 . . . . 13 ALA HB . 16274 1 77 . 1 1 13 13 ALA HB3 H 1 1.19 0.02 . 1 . . . . 13 ALA HB . 16274 1 78 . 1 1 13 13 ALA N N 15 127.93 0.05 . 1 . . . . 13 ALA N . 16274 1 79 . 1 1 14 14 ASN H H 1 8.20 0.02 . 1 . . . . 14 ASN H . 16274 1 80 . 1 1 14 14 ASN HA H 1 4.40 0.02 . 1 . . . . 14 ASN HA . 16274 1 81 . 1 1 14 14 ASN HB2 H 1 2.86 0.02 . 1 . . . . 14 ASN HB2 . 16274 1 82 . 1 1 14 14 ASN HB3 H 1 2.76 0.02 . 1 . . . . 14 ASN HB3 . 16274 1 83 . 1 1 14 14 ASN N N 15 122.93 0.05 . 1 . . . . 14 ASN N . 16274 1 84 . 1 1 15 15 LYS H H 1 8.08 0.02 . 1 . . . . 15 LYS H . 16274 1 85 . 1 1 15 15 LYS HA H 1 4.09 0.02 . 1 . . . . 15 LYS HA . 16274 1 86 . 1 1 15 15 LYS HB2 H 1 1.70 0.02 . 1 . . . . 15 LYS HB2 . 16274 1 87 . 1 1 15 15 LYS HD2 H 1 1.56 0.02 . 1 . . . . 15 LYS HD2 . 16274 1 88 . 1 1 15 15 LYS HD3 H 1 1.56 0.02 . 1 . . . . 15 LYS HD3 . 16274 1 89 . 1 1 15 15 LYS HE2 H 1 2.99 0.02 . 1 . . . . 15 LYS HE2 . 16274 1 90 . 1 1 15 15 LYS HE3 H 1 2.99 0.02 . 1 . . . . 15 LYS HE3 . 16274 1 91 . 1 1 15 15 LYS HG2 H 1 1.43 0.02 . 1 . . . . 15 LYS HG2 . 16274 1 92 . 1 1 15 15 LYS HG3 H 1 1.43 0.02 . 1 . . . . 15 LYS HG3 . 16274 1 93 . 1 1 15 15 LYS N N 15 126.04 0.05 . 1 . . . . 15 LYS N . 16274 1 94 . 1 1 16 16 PHE H H 1 8.06 0.02 . 1 . . . . 16 PHE H . 16274 1 95 . 1 1 16 16 PHE HA H 1 4.22 0.02 . 1 . . . . 16 PHE HA . 16274 1 96 . 1 1 16 16 PHE HB2 H 1 3.62 0.02 . 1 . . . . 16 PHE HB2 . 16274 1 97 . 1 1 16 16 PHE HB3 H 1 3.62 0.02 . 1 . . . . 16 PHE HB3 . 16274 1 98 . 1 1 16 16 PHE N N 15 124.55 0.05 . 1 . . . . 16 PHE N . 16274 1 99 . 1 1 17 17 LYS H H 1 8.13 0.02 . 1 . . . . 17 LYS H . 16274 1 100 . 1 1 17 17 LYS HA H 1 4.00 0.02 . 1 . . . . 17 LYS HA . 16274 1 101 . 1 1 17 17 LYS HB2 H 1 1.47 0.02 . 1 . . . . 17 LYS HB2 . 16274 1 102 . 1 1 17 17 LYS HB3 H 1 1.47 0.02 . 1 . . . . 17 LYS HB3 . 16274 1 103 . 1 1 17 17 LYS HD2 H 1 1.15 0.02 . 1 . . . . 17 LYS HD2 . 16274 1 104 . 1 1 17 17 LYS HD3 H 1 1.15 0.02 . 1 . . . . 17 LYS HD3 . 16274 1 105 . 1 1 17 17 LYS HG2 H 1 1.06 0.02 . 1 . . . . 17 LYS HG2 . 16274 1 106 . 1 1 17 17 LYS HG3 H 1 1.06 0.02 . 1 . . . . 17 LYS HG3 . 16274 1 107 . 1 1 17 17 LYS N N 15 124.38 0.05 . 1 . . . . 17 LYS N . 16274 1 108 . 1 1 18 18 LYS H H 1 8.18 0.02 . 1 . . . . 18 LYS H . 16274 1 109 . 1 1 18 18 LYS HA H 1 3.99 0.02 . 1 . . . . 18 LYS HA . 16274 1 110 . 1 1 18 18 LYS HB2 H 1 1.46 0.02 . 1 . . . . 18 LYS HB2 . 16274 1 111 . 1 1 18 18 LYS HB3 H 1 1.46 0.02 . 1 . . . . 18 LYS HB3 . 16274 1 112 . 1 1 18 18 LYS HD2 H 1 1.39 0.02 . 1 . . . . 18 LYS HD2 . 16274 1 113 . 1 1 18 18 LYS HD3 H 1 1.39 0.02 . 1 . . . . 18 LYS HD3 . 16274 1 114 . 1 1 18 18 LYS HG2 H 1 1.02 0.02 . 1 . . . . 18 LYS HG2 . 16274 1 115 . 1 1 18 18 LYS HG3 H 1 1.02 0.02 . 1 . . . . 18 LYS HG3 . 16274 1 116 . 1 1 18 18 LYS N N 15 123.25 0.05 . 1 . . . . 18 LYS N . 16274 1 117 . 1 1 19 19 TYR H H 1 8.04 0.02 . 1 . . . . 19 TYR H . 16274 1 118 . 1 1 19 19 TYR HA H 1 4.41 0.02 . 1 . . . . 19 TYR HA . 16274 1 119 . 1 1 19 19 TYR HB2 H 1 2.96 0.02 . 1 . . . . 19 TYR HB2 . 16274 1 120 . 1 1 19 19 TYR HB3 H 1 2.79 0.02 . 1 . . . . 19 TYR HB3 . 16274 1 121 . 1 1 19 19 TYR N N 15 119.48 0.05 . 1 . . . . 19 TYR N . 16274 1 122 . 1 1 20 20 SER H H 1 8.37 0.02 . 1 . . . . 20 SER H . 16274 1 123 . 1 1 20 20 SER HA H 1 4.15 0.02 . 1 . . . . 20 SER HA . 16274 1 124 . 1 1 20 20 SER HB2 H 1 3.77 0.02 . 1 . . . . 20 SER HB2 . 16274 1 125 . 1 1 20 20 SER HB3 H 1 3.73 0.02 . 1 . . . . 20 SER HB3 . 16274 1 126 . 1 1 21 21 ARG H H 1 7.01 0.02 . 1 . . . . 21 ARG H . 16274 1 127 . 1 1 21 21 ARG N N 15 130.05 0.05 . 1 . . . . 21 ARG N . 16274 1 stop_ save_