data_25222 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25222 _Entry.Title ; Monomeric phospholamban, R14del mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-13 _Entry.Accession_date 2014-09-13 _Entry.Last_release_date 2016-09-23 _Entry.Original_release_date 2016-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Monomeric phospholamban (C36A, C41F, C46A), bearing naturally ocurring R14del mutation' _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 Vitaly Vostrikov . V. . . 25222 2 Kailey Soller . J. . . 25222 3 Kim Ha . . . . 25222 4 Tata Gopinath . . . . 25222 5 Gianluigi Veglia . . . . 25222 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25222 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 49 25222 '1H chemical shifts' 49 25222 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 . . 2016-09-23 2014-09-13 update BMRB 'update entry citation' 25222 1 . . 2014-09-29 2014-09-13 original author 'original release' 25222 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18256 'R state structure of monomeric phospholamban (C36A, C41F, C46A)' 25222 BMRB 18952 'Serine 16 phosphorylated phospholamban pentamer, Hybrid solution and solid-state NMR structural ensemble' 25222 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25222 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbamem.2014.09.007 _Citation.PubMed_ID 25251363 _Citation.Full_citation . _Citation.Title ; Effects of naturally occurring arginine 14 deletion on phospholamban conformational dynamics and membrane interactions. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1848 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-3002 _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 315 _Citation.Page_last 322 _Citation.Year 2015 _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 Vitaly Vostrikov V. V. . . 25222 1 2 Kailey Soller K. J. . . 25222 1 3 Kim Ha K. N. . . 25222 1 4 T Gopinath T. . . . 25222 1 5 Gianluigi Veglia G. . . . 25222 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25222 _Assembly.ID 1 _Assembly.Name Phospholamban _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 Phospholamban 1 $Phospholamban A . yes native no no . . . 25222 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Phospholamban _Entity.Sf_category entity _Entity.Sf_framecode Phospholamban _Entity.Entry_ID 25222 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Phospholamban _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 ; AMEKVQYLTRSAIRASTIEM PQQARQNLQNLFINFALILI FLLLIAIIVMLL ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation R14del _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 0 ALA . 25222 1 2 1 MET . 25222 1 3 2 GLU . 25222 1 4 3 LYS . 25222 1 5 4 VAL . 25222 1 6 5 GLN . 25222 1 7 6 TYR . 25222 1 8 7 LEU . 25222 1 9 8 THR . 25222 1 10 9 ARG . 25222 1 11 10 SER . 25222 1 12 11 ALA . 25222 1 13 12 ILE . 25222 1 14 13 ARG . 25222 1 15 15 ALA . 25222 1 16 16 SER . 25222 1 17 17 THR . 25222 1 18 18 ILE . 25222 1 19 19 GLU . 25222 1 20 20 MET . 25222 1 21 21 PRO . 25222 1 22 22 GLN . 25222 1 23 23 GLN . 25222 1 24 24 ALA . 25222 1 25 25 ARG . 25222 1 26 26 GLN . 25222 1 27 27 ASN . 25222 1 28 28 LEU . 25222 1 29 29 GLN . 25222 1 30 30 ASN . 25222 1 31 31 LEU . 25222 1 32 32 PHE . 25222 1 33 33 ILE . 25222 1 34 34 ASN . 25222 1 35 35 PHE . 25222 1 36 36 ALA . 25222 1 37 37 LEU . 25222 1 38 38 ILE . 25222 1 39 39 LEU . 25222 1 40 40 ILE . 25222 1 41 41 PHE . 25222 1 42 42 LEU . 25222 1 43 43 LEU . 25222 1 44 44 LEU . 25222 1 45 45 ILE . 25222 1 46 46 ALA . 25222 1 47 47 ILE . 25222 1 48 48 ILE . 25222 1 49 49 VAL . 25222 1 50 50 MET . 25222 1 51 51 LEU . 25222 1 52 52 LEU . 25222 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 . ALA 1 1 25222 1 . MET 2 2 25222 1 . GLU 3 3 25222 1 . LYS 4 4 25222 1 . VAL 5 5 25222 1 . GLN 6 6 25222 1 . TYR 7 7 25222 1 . LEU 8 8 25222 1 . THR 9 9 25222 1 . ARG 10 10 25222 1 . SER 11 11 25222 1 . ALA 12 12 25222 1 . ILE 13 13 25222 1 . ARG 14 14 25222 1 . ALA 15 15 25222 1 . SER 16 16 25222 1 . THR 17 17 25222 1 . ILE 18 18 25222 1 . GLU 19 19 25222 1 . MET 20 20 25222 1 . PRO 21 21 25222 1 . GLN 22 22 25222 1 . GLN 23 23 25222 1 . ALA 24 24 25222 1 . ARG 25 25 25222 1 . GLN 26 26 25222 1 . ASN 27 27 25222 1 . LEU 28 28 25222 1 . GLN 29 29 25222 1 . ASN 30 30 25222 1 . LEU 31 31 25222 1 . PHE 32 32 25222 1 . ILE 33 33 25222 1 . ASN 34 34 25222 1 . PHE 35 35 25222 1 . ALA 36 36 25222 1 . LEU 37 37 25222 1 . ILE 38 38 25222 1 . LEU 39 39 25222 1 . ILE 40 40 25222 1 . PHE 41 41 25222 1 . LEU 42 42 25222 1 . LEU 43 43 25222 1 . LEU 44 44 25222 1 . ILE 45 45 25222 1 . ALA 46 46 25222 1 . ILE 47 47 25222 1 . ILE 48 48 25222 1 . VAL 49 49 25222 1 . MET 50 50 25222 1 . LEU 51 51 25222 1 . LEU 52 52 25222 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 25222 _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 $Phospholamban . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . 25222 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 25222 _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 $Phospholamban . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMAL-c2X . . . 25222 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25222 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/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 Phospholamban '[U-100% 15N]' . . 1 $Phospholamban . . 0.1 . . mM . . . . 25222 1 2 DPC [U-2H] . . . . . . 300 . . mM . . . . 25222 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25222 1 4 'sodium chloride' 'natural abundance' . . . . . . 120 . . mM . . . . 25222 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 10 . . mM . . . . 25222 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25222 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25222 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25222 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 25222 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 25222 1 temperature 273 . K 25222 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25222 _Software.ID 1 _Software.Name NMRPipe _Software.Version 7.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25222 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25222 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25222 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25222 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25222 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25222 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25222 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25222 3 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 25222 _NMR_spectrometer.ID 1 _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 25222 _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 . 600 . . . 25222 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 25222 _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 . . . . . . . . . . . . . . . . 25222 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 25222 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 25222 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 25222 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 25222 _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' . . . 25222 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 3 3 GLU H H 1 9.21 0.02 . 1 . . . . 2 GLU HN . 25222 1 2 . 1 1 3 3 GLU N N 15 121.80 0.20 . 1 . . . . 2 GLU N . 25222 1 3 . 1 1 4 4 LYS H H 1 8.29 0.02 . 1 . . . . 3 LYS HN . 25222 1 4 . 1 1 4 4 LYS N N 15 119.90 0.20 . 1 . . . . 3 LYS N . 25222 1 5 . 1 1 5 5 VAL H H 1 7.77 0.02 . 1 . . . . 4 VAL HN . 25222 1 6 . 1 1 5 5 VAL N N 15 117.40 0.20 . 1 . . . . 4 VAL N . 25222 1 7 . 1 1 6 6 GLN H H 1 8.16 0.02 . 1 . . . . 5 GLN HN . 25222 1 8 . 1 1 6 6 GLN N N 15 121.10 0.20 . 1 . . . . 5 GLN N . 25222 1 9 . 1 1 7 7 TYR H H 1 7.89 0.02 . 1 . . . . 6 TYR HN . 25222 1 10 . 1 1 7 7 TYR N N 15 118.60 0.20 . 1 . . . . 6 TYR N . 25222 1 11 . 1 1 8 8 LEU H H 1 8.13 0.02 . 1 . . . . 7 LEU HN . 25222 1 12 . 1 1 8 8 LEU N N 15 120.30 0.20 . 1 . . . . 7 LEU N . 25222 1 13 . 1 1 9 9 THR H H 1 7.85 0.02 . 1 . . . . 8 THR HN . 25222 1 14 . 1 1 9 9 THR N N 15 112.50 0.20 . 1 . . . . 8 THR N . 25222 1 15 . 1 1 10 10 ARG H H 1 8.45 0.02 . 1 . . . . 9 ARG HN . 25222 1 16 . 1 1 10 10 ARG N N 15 120.70 0.20 . 1 . . . . 9 ARG N . 25222 1 17 . 1 1 11 11 SER H H 1 8.05 0.02 . 1 . . . . 10 SER HN . 25222 1 18 . 1 1 11 11 SER N N 15 114.40 0.20 . 1 . . . . 10 SER N . 25222 1 19 . 1 1 12 12 ALA H H 1 8.07 0.02 . 1 . . . . 11 ALA HN . 25222 1 20 . 1 1 12 12 ALA N N 15 124.40 0.20 . 1 . . . . 11 ALA N . 25222 1 21 . 1 1 13 13 ILE H H 1 7.88 0.02 . 1 . . . . 12 ILE HN . 25222 1 22 . 1 1 13 13 ILE N N 15 116.80 0.20 . 1 . . . . 12 ILE N . 25222 1 23 . 1 1 14 14 ARG H H 1 7.93 0.02 . 1 . . . . 13 ARG HN . 25222 1 24 . 1 1 14 14 ARG N N 15 119.80 0.20 . 1 . . . . 13 ARG N . 25222 1 25 . 1 1 15 15 ALA H H 1 8.08 0.02 . 1 . . . . 15 ALA HN . 25222 1 26 . 1 1 15 15 ALA N N 15 121.60 0.20 . 1 . . . . 15 ALA N . 25222 1 27 . 1 1 16 16 SER H H 1 7.86 0.02 . 1 . . . . 16 SER HN . 25222 1 28 . 1 1 16 16 SER N N 15 112.10 0.20 . 1 . . . . 16 SER N . 25222 1 29 . 1 1 17 17 THR H H 1 7.80 0.02 . 1 . . . . 17 THR HN . 25222 1 30 . 1 1 17 17 THR N N 15 111.30 0.20 . 1 . . . . 17 THR N . 25222 1 31 . 1 1 18 18 ILE H H 1 7.70 0.02 . 1 . . . . 18 ILE HN . 25222 1 32 . 1 1 18 18 ILE N N 15 121.30 0.20 . 1 . . . . 18 ILE N . 25222 1 33 . 1 1 19 19 GLU H H 1 8.12 0.02 . 1 . . . . 19 GLU HN . 25222 1 34 . 1 1 19 19 GLU N N 15 123.00 0.20 . 1 . . . . 19 GLU N . 25222 1 35 . 1 1 20 20 MET H H 1 8.32 0.02 . 1 . . . . 20 MET HN . 25222 1 36 . 1 1 20 20 MET N N 15 122.10 0.20 . 1 . . . . 20 MET N . 25222 1 37 . 1 1 22 22 GLN H H 1 8.72 0.02 . 1 . . . . 22 GLN HN . 25222 1 38 . 1 1 22 22 GLN N N 15 121.80 0.20 . 1 . . . . 22 GLN N . 25222 1 39 . 1 1 23 23 GLN H H 1 8.71 0.02 . 1 . . . . 23 GLN HN . 25222 1 40 . 1 1 23 23 GLN N N 15 118.30 0.20 . 1 . . . . 23 GLN N . 25222 1 41 . 1 1 24 24 ALA H H 1 7.70 0.02 . 1 . . . . 24 ALA HN . 25222 1 42 . 1 1 24 24 ALA N N 15 121.80 0.20 . 1 . . . . 24 ALA N . 25222 1 43 . 1 1 25 25 ARG H H 1 8.07 0.02 . 1 . . . . 25 ARG HN . 25222 1 44 . 1 1 25 25 ARG N N 15 117.70 0.20 . 1 . . . . 25 ARG N . 25222 1 45 . 1 1 26 26 GLN H H 1 8.16 0.02 . 1 . . . . 26 GLN HN . 25222 1 46 . 1 1 26 26 GLN N N 15 118.10 0.20 . 1 . . . . 26 GLN N . 25222 1 47 . 1 1 27 27 ASN H H 1 8.04 0.02 . 1 . . . . 27 ASN HN . 25222 1 48 . 1 1 27 27 ASN N N 15 117.70 0.20 . 1 . . . . 27 ASN N . 25222 1 49 . 1 1 28 28 LEU H H 1 8.07 0.02 . 1 . . . . 28 LEU HN . 25222 1 50 . 1 1 28 28 LEU N N 15 121.10 0.20 . 1 . . . . 28 LEU N . 25222 1 51 . 1 1 29 29 GLN H H 1 8.30 0.02 . 1 . . . . 29 GLN HN . 25222 1 52 . 1 1 29 29 GLN N N 15 118.00 0.20 . 1 . . . . 29 GLN N . 25222 1 53 . 1 1 30 30 ASN H H 1 8.06 0.02 . 1 . . . . 30 ASN HN . 25222 1 54 . 1 1 30 30 ASN N N 15 116.70 0.20 . 1 . . . . 30 ASN N . 25222 1 55 . 1 1 31 31 LEU H H 1 8.00 0.02 . 1 . . . . 31 LEU HN . 25222 1 56 . 1 1 31 31 LEU N N 15 121.20 0.20 . 1 . . . . 31 LEU N . 25222 1 57 . 1 1 32 32 PHE H H 1 8.23 0.02 . 1 . . . . 32 PHE HN . 25222 1 58 . 1 1 32 32 PHE N N 15 117.30 0.20 . 1 . . . . 32 PHE N . 25222 1 59 . 1 1 33 33 ILE H H 1 8.17 0.02 . 1 . . . . 33 ILE HN . 25222 1 60 . 1 1 33 33 ILE N N 15 118.30 0.20 . 1 . . . . 33 ILE N . 25222 1 61 . 1 1 34 34 ASN H H 1 7.89 0.02 . 1 . . . . 34 ASN HN . 25222 1 62 . 1 1 34 34 ASN N N 15 117.20 0.20 . 1 . . . . 34 ASN N . 25222 1 63 . 1 1 35 35 PHE H H 1 8.42 0.02 . 1 . . . . 35 PHE HN . 25222 1 64 . 1 1 35 35 PHE N N 15 118.20 0.20 . 1 . . . . 35 PHE N . 25222 1 65 . 1 1 36 36 ALA H H 1 8.41 0.02 . 1 . . . . 36 ALA HN . 25222 1 66 . 1 1 36 36 ALA N N 15 120.70 0.20 . 1 . . . . 36 ALA N . 25222 1 67 . 1 1 37 37 LEU H H 1 8.08 0.02 . 1 . . . . 37 LEU HN . 25222 1 68 . 1 1 37 37 LEU N N 15 115.50 0.20 . 1 . . . . 37 LEU N . 25222 1 69 . 1 1 38 38 ILE H H 1 7.73 0.02 . 1 . . . . 38 ILE HN . 25222 1 70 . 1 1 38 38 ILE N N 15 117.80 0.20 . 1 . . . . 38 ILE N . 25222 1 71 . 1 1 39 39 LEU H H 1 8.06 0.02 . 1 . . . . 39 LEU HN . 25222 1 72 . 1 1 39 39 LEU N N 15 119.10 0.20 . 1 . . . . 39 LEU N . 25222 1 73 . 1 1 40 40 ILE H H 1 8.27 0.02 . 1 . . . . 40 ILE HN . 25222 1 74 . 1 1 40 40 ILE N N 15 117.30 0.20 . 1 . . . . 40 ILE N . 25222 1 75 . 1 1 41 41 PHE H H 1 8.22 0.02 . 1 . . . . 41 PHE HN . 25222 1 76 . 1 1 41 41 PHE N N 15 119.40 0.20 . 1 . . . . 41 PHE N . 25222 1 77 . 1 1 42 42 LEU H H 1 8.43 0.02 . 1 . . . . 42 LEU HN . 25222 1 78 . 1 1 42 42 LEU N N 15 117.40 0.20 . 1 . . . . 42 LEU N . 25222 1 79 . 1 1 43 43 LEU H H 1 8.26 0.02 . 1 . . . . 43 LEU HN . 25222 1 80 . 1 1 43 43 LEU N N 15 118.00 0.20 . 1 . . . . 43 LEU N . 25222 1 81 . 1 1 44 44 LEU H H 1 8.27 0.02 . 1 . . . . 44 LEU HN . 25222 1 82 . 1 1 44 44 LEU N N 15 118.60 0.20 . 1 . . . . 44 LEU N . 25222 1 83 . 1 1 45 45 ILE H H 1 8.00 0.02 . 1 . . . . 45 ILE HN . 25222 1 84 . 1 1 45 45 ILE N N 15 117.10 0.20 . 1 . . . . 45 ILE N . 25222 1 85 . 1 1 46 46 ALA H H 1 8.29 0.02 . 1 . . . . 46 ALA HN . 25222 1 86 . 1 1 46 46 ALA N N 15 121.10 0.20 . 1 . . . . 46 ALA N . 25222 1 87 . 1 1 47 47 ILE H H 1 8.22 0.02 . 1 . . . . 47 ILE HN . 25222 1 88 . 1 1 47 47 ILE N N 15 116.30 0.20 . 1 . . . . 47 ILE N . 25222 1 89 . 1 1 48 48 ILE H H 1 8.07 0.02 . 1 . . . . 48 ILE HN . 25222 1 90 . 1 1 48 48 ILE N N 15 118.60 0.20 . 1 . . . . 48 ILE N . 25222 1 91 . 1 1 49 49 VAL H H 1 8.46 0.02 . 1 . . . . 49 VAL HN . 25222 1 92 . 1 1 49 49 VAL N N 15 116.00 0.20 . 1 . . . . 49 VAL N . 25222 1 93 . 1 1 50 50 MET H H 1 8.00 0.02 . 1 . . . . 50 MET HN . 25222 1 94 . 1 1 50 50 MET N N 15 115.70 0.20 . 1 . . . . 50 MET N . 25222 1 95 . 1 1 51 51 LEU H H 1 7.94 0.02 . 1 . . . . 51 LEU HN . 25222 1 96 . 1 1 51 51 LEU N N 15 118.40 0.20 . 1 . . . . 51 LEU N . 25222 1 97 . 1 1 52 52 LEU H H 1 7.29 0.02 . 1 . . . . 52 LEU HN . 25222 1 98 . 1 1 52 52 LEU N N 15 123.80 0.20 . 1 . . . . 52 LEU N . 25222 1 stop_ save_