data_25549 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25549 _Entry.Title ; 1H, 13C, 15N backbone chemical shift assignments of mouse BMAL2 transactivation domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-03-23 _Entry.Accession_date 2015-03-23 _Entry.Last_release_date 2015-04-27 _Entry.Original_release_date 2015-04-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _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.ORCID _Entry_author.Entry_ID 1 Hsiau-Wei Lee . . . . 25549 2 Chelsea Gustafson . . . . 25549 3 Nicole Parsley . . . . 25549 4 Carrie Partch . . . . 25549 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25549 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 84 25549 '15N chemical shifts' 41 25549 '1H chemical shifts' 41 25549 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 . . 2016-08-25 2015-03-23 update BMRB 'update entry citation' 25549 1 . . 2015-04-27 2015-03-23 original author 'original release' 25549 stop_ save_ ############### # Citations # ############### save_NSMB _Citation.Sf_category citations _Citation.Sf_framecode NSMB _Citation.Entry_ID 25549 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25961797 _Citation.Full_citation . _Citation.Title ; Cryptochrome 1 regulates the circadian clock through dynamic interactions with the BMAL1 C terminus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 6 _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 476 _Citation.Page_last 484 _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 Haiyan Xu . . . . 25549 1 2 Chelsea Guftafson . L. . . 25549 1 3 Patrick Sammons . J. . . 25549 1 4 Sanjoy Khan . K. . . 25549 1 5 Nicole Parsley . C. . . 25549 1 6 Chidambaram Ramanathan . . . . 25549 1 7 Hsiau-Wei Lee . . . . 25549 1 8 Andrew Liu . C. . . 25549 1 9 Carrie Partch . L. . . 25549 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CBP 25549 1 'Circadian clock' 25549 1 'negative feedback' 25549 1 p300 25549 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25549 _Assembly.ID 1 _Assembly.Name mBMAL2-TAD _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 mBMAL2-TAD 1 $mBMAL2-TAD A . yes native no no . . . 25549 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mBMAL2-TAD _Entity.Sf_category entity _Entity.Sf_framecode mBMAL2-TAD _Entity.Entry_ID 25549 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mBMAL2-TAD _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 ; AMDPEFLGFDVLCDSDSIDM AAFMNYLEAEGGLGDPGDFS DIQWAL ; _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 46 _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 1 534 ALA . 25549 1 2 535 MET . 25549 1 3 536 ASP . 25549 1 4 537 PRO . 25549 1 5 538 GLU . 25549 1 6 539 PHE . 25549 1 7 540 LEU . 25549 1 8 541 GLY . 25549 1 9 542 PHE . 25549 1 10 543 ASP . 25549 1 11 544 VAL . 25549 1 12 545 LEU . 25549 1 13 546 CYS . 25549 1 14 547 ASP . 25549 1 15 548 SER . 25549 1 16 549 ASP . 25549 1 17 550 SER . 25549 1 18 551 ILE . 25549 1 19 552 ASP . 25549 1 20 553 MET . 25549 1 21 554 ALA . 25549 1 22 555 ALA . 25549 1 23 556 PHE . 25549 1 24 557 MET . 25549 1 25 558 ASN . 25549 1 26 559 TYR . 25549 1 27 560 LEU . 25549 1 28 561 GLU . 25549 1 29 562 ALA . 25549 1 30 563 GLU . 25549 1 31 564 GLY . 25549 1 32 565 GLY . 25549 1 33 566 LEU . 25549 1 34 567 GLY . 25549 1 35 568 ASP . 25549 1 36 569 PRO . 25549 1 37 570 GLY . 25549 1 38 571 ASP . 25549 1 39 572 PHE . 25549 1 40 573 SER . 25549 1 41 574 ASP . 25549 1 42 575 ILE . 25549 1 43 576 GLN . 25549 1 44 577 TRP . 25549 1 45 578 ALA . 25549 1 46 579 LEU . 25549 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 25549 1 . MET 2 2 25549 1 . ASP 3 3 25549 1 . PRO 4 4 25549 1 . GLU 5 5 25549 1 . PHE 6 6 25549 1 . LEU 7 7 25549 1 . GLY 8 8 25549 1 . PHE 9 9 25549 1 . ASP 10 10 25549 1 . VAL 11 11 25549 1 . LEU 12 12 25549 1 . CYS 13 13 25549 1 . ASP 14 14 25549 1 . SER 15 15 25549 1 . ASP 16 16 25549 1 . SER 17 17 25549 1 . ILE 18 18 25549 1 . ASP 19 19 25549 1 . MET 20 20 25549 1 . ALA 21 21 25549 1 . ALA 22 22 25549 1 . PHE 23 23 25549 1 . MET 24 24 25549 1 . ASN 25 25 25549 1 . TYR 26 26 25549 1 . LEU 27 27 25549 1 . GLU 28 28 25549 1 . ALA 29 29 25549 1 . GLU 30 30 25549 1 . GLY 31 31 25549 1 . GLY 32 32 25549 1 . LEU 33 33 25549 1 . GLY 34 34 25549 1 . ASP 35 35 25549 1 . PRO 36 36 25549 1 . GLY 37 37 25549 1 . ASP 38 38 25549 1 . PHE 39 39 25549 1 . SER 40 40 25549 1 . ASP 41 41 25549 1 . ILE 42 42 25549 1 . GLN 43 43 25549 1 . TRP 44 44 25549 1 . ALA 45 45 25549 1 . LEU 46 46 25549 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 25549 _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 $mBMAL2-TAD . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25549 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 25549 _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 $mBMAL2-TAD . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET22b . . . 25549 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25549 _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 mBMAL2-TAD '[U-100% 13C; U-100% 15N]' . . 1 $mBMAL2-TAD . protein 0.3 . . mM . . . . 25549 1 2 MES 'natural abundance' . . . . . buffer 10 . . mM . . . . 25549 1 3 NaCl 'natural abundance' . . . . . salt 50 . . mM . . . . 25549 1 4 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25549 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25549 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 25549 _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' 50 . mM 25549 1 pH 6.5 . pH 25549 1 pressure 1 . atm 25549 1 temperature 298 . K 25549 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25549 _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 . . 25549 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25549 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25549 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25549 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25549 2 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 25549 _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 25549 _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 'With Cryoprobe' . . 25549 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 25549 _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 . . . . . . . . . . . . . . . . 25549 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25549 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25549 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 25549 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25549 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25549 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25549 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 25549 _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' 1 $sample_1 isotropic 25549 1 2 '3D HNCACB' 1 $sample_1 isotropic 25549 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25549 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 ALA CA C 13 53.182 0.045 . 1 . . . . 534 ALA CA . 25549 1 2 . 1 1 1 1 ALA CB C 13 19.374 0.032 . 1 . . . . 534 ALA CB . 25549 1 3 . 1 1 2 2 MET H H 1 8.443 0.002 . 1 . . . . 535 MET H . 25549 1 4 . 1 1 2 2 MET CA C 13 55.003 0.010 . 1 . . . . 535 MET CA . 25549 1 5 . 1 1 2 2 MET CB C 13 32.549 0.061 . 1 . . . . 535 MET CB . 25549 1 6 . 1 1 2 2 MET N N 15 118.852 0.017 . 1 . . . . 535 MET N . 25549 1 7 . 1 1 3 3 ASP H H 1 8.081 0.003 . 1 . . . . 536 ASP H . 25549 1 8 . 1 1 3 3 ASP CA C 13 52.735 0.035 . 1 . . . . 536 ASP CA . 25549 1 9 . 1 1 3 3 ASP CB C 13 40.951 0.035 . 1 . . . . 536 ASP CB . 25549 1 10 . 1 1 3 3 ASP N N 15 123.809 0.015 . 1 . . . . 536 ASP N . 25549 1 11 . 1 1 4 4 PRO CA C 13 63.759 0.035 . 1 . . . . 537 PRO CA . 25549 1 12 . 1 1 4 4 PRO CB C 13 32.162 0.017 . 1 . . . . 537 PRO CB . 25549 1 13 . 1 1 5 5 GLU H H 1 8.518 0.002 . 1 . . . . 538 GLU H . 25549 1 14 . 1 1 5 5 GLU CA C 13 57.053 0.036 . 1 . . . . 538 GLU CA . 25549 1 15 . 1 1 5 5 GLU CB C 13 29.958 0.023 . 1 . . . . 538 GLU CB . 25549 1 16 . 1 1 5 5 GLU N N 15 120.505 0.007 . 1 . . . . 538 GLU N . 25549 1 17 . 1 1 6 6 PHE H H 1 8.038 0.001 . 1 . . . . 539 PHE H . 25549 1 18 . 1 1 6 6 PHE CA C 13 57.677 0.021 . 1 . . . . 539 PHE CA . 25549 1 19 . 1 1 6 6 PHE CB C 13 39.505 0.020 . 1 . . . . 539 PHE CB . 25549 1 20 . 1 1 6 6 PHE N N 15 121.297 0.017 . 1 . . . . 539 PHE N . 25549 1 21 . 1 1 7 7 LEU H H 1 8.050 0.001 . 1 . . . . 540 LEU H . 25549 1 22 . 1 1 7 7 LEU CA C 13 55.228 0.035 . 1 . . . . 540 LEU CA . 25549 1 23 . 1 1 7 7 LEU CB C 13 42.472 0.023 . 1 . . . . 540 LEU CB . 25549 1 24 . 1 1 7 7 LEU N N 15 125.225 0.034 . 1 . . . . 540 LEU N . 25549 1 25 . 1 1 8 8 GLY H H 1 7.526 0.005 . 1 . . . . 541 GLY H . 25549 1 26 . 1 1 8 8 GLY CA C 13 45.207 0.019 . 1 . . . . 541 GLY CA . 25549 1 27 . 1 1 8 8 GLY N N 15 108.867 0.029 . 1 . . . . 541 GLY N . 25549 1 28 . 1 1 9 9 PHE H H 1 7.941 0.002 . 1 . . . . 542 PHE H . 25549 1 29 . 1 1 9 9 PHE CA C 13 57.613 0.054 . 1 . . . . 542 PHE CA . 25549 1 30 . 1 1 9 9 PHE CB C 13 39.764 0.033 . 1 . . . . 542 PHE CB . 25549 1 31 . 1 1 9 9 PHE N N 15 120.202 0.029 . 1 . . . . 542 PHE N . 25549 1 32 . 1 1 10 10 ASP H H 1 8.419 0.003 . 1 . . . . 543 ASP H . 25549 1 33 . 1 1 10 10 ASP CA C 13 54.386 0.042 . 1 . . . . 543 ASP CA . 25549 1 34 . 1 1 10 10 ASP CB C 13 41.196 0.039 . 1 . . . . 543 ASP CB . 25549 1 35 . 1 1 10 10 ASP N N 15 122.421 0.046 . 1 . . . . 543 ASP N . 25549 1 36 . 1 1 11 11 VAL H H 1 7.928 0.004 . 1 . . . . 544 VAL H . 25549 1 37 . 1 1 11 11 VAL CA C 13 62.423 0.017 . 1 . . . . 544 VAL CA . 25549 1 38 . 1 1 11 11 VAL CB C 13 32.750 0.022 . 1 . . . . 544 VAL CB . 25549 1 39 . 1 1 11 11 VAL N N 15 120.850 0.034 . 1 . . . . 544 VAL N . 25549 1 40 . 1 1 12 12 LEU H H 1 8.276 0.007 . 1 . . . . 545 LEU H . 25549 1 41 . 1 1 12 12 LEU CA C 13 55.069 0.035 . 1 . . . . 545 LEU CA . 25549 1 42 . 1 1 12 12 LEU CB C 13 42.312 0.035 . 1 . . . . 545 LEU CB . 25549 1 43 . 1 1 12 12 LEU N N 15 126.129 0.046 . 1 . . . . 545 LEU N . 25549 1 44 . 1 1 14 14 ASP CA C 13 54.357 0.024 . 1 . . . . 547 ASP CA . 25549 1 45 . 1 1 14 14 ASP CB C 13 41.203 0.042 . 1 . . . . 547 ASP CB . 25549 1 46 . 1 1 15 15 SER H H 1 8.246 0.004 . 1 . . . . 548 SER H . 25549 1 47 . 1 1 15 15 SER CA C 13 59.004 0.057 . 1 . . . . 548 SER CA . 25549 1 48 . 1 1 15 15 SER CB C 13 63.797 0.038 . 1 . . . . 548 SER CB . 25549 1 49 . 1 1 15 15 SER N N 15 117.293 0.071 . 1 . . . . 548 SER N . 25549 1 50 . 1 1 16 16 ASP H H 1 8.359 0.005 . 1 . . . . 549 ASP H . 25549 1 51 . 1 1 16 16 ASP CA C 13 54.778 0.035 . 1 . . . . 549 ASP CA . 25549 1 52 . 1 1 16 16 ASP CB C 13 41.184 0.029 . 1 . . . . 549 ASP CB . 25549 1 53 . 1 1 16 16 ASP N N 15 123.002 0.024 . 1 . . . . 549 ASP N . 25549 1 54 . 1 1 17 17 SER H H 1 8.094 0.003 . 1 . . . . 550 SER H . 25549 1 55 . 1 1 17 17 SER CA C 13 58.619 0.036 . 1 . . . . 550 SER CA . 25549 1 56 . 1 1 17 17 SER CB C 13 63.807 0.047 . 1 . . . . 550 SER CB . 25549 1 57 . 1 1 17 17 SER N N 15 116.456 0.040 . 1 . . . . 550 SER N . 25549 1 58 . 1 1 18 18 ILE H H 1 8.003 0.004 . 1 . . . . 551 ILE H . 25549 1 59 . 1 1 18 18 ILE CA C 13 61.358 0.043 . 1 . . . . 551 ILE CA . 25549 1 60 . 1 1 18 18 ILE CB C 13 39.045 0.043 . 1 . . . . 551 ILE CB . 25549 1 61 . 1 1 18 18 ILE N N 15 123.337 0.025 . 1 . . . . 551 ILE N . 25549 1 62 . 1 1 19 19 ASP H H 1 8.331 0.034 . 1 . . . . 552 ASP H . 25549 1 63 . 1 1 19 19 ASP CA C 13 54.257 0.002 . 1 . . . . 552 ASP CA . 25549 1 64 . 1 1 19 19 ASP CB C 13 41.039 0.030 . 1 . . . . 552 ASP CB . 25549 1 65 . 1 1 19 19 ASP N N 15 124.978 0.016 . 1 . . . . 552 ASP N . 25549 1 66 . 1 1 20 20 MET H H 1 8.382 0.003 . 1 . . . . 553 MET H . 25549 1 67 . 1 1 20 20 MET CA C 13 56.150 0.005 . 1 . . . . 553 MET CA . 25549 1 68 . 1 1 20 20 MET CB C 13 32.210 0.035 . 1 . . . . 553 MET CB . 25549 1 69 . 1 1 20 20 MET N N 15 123.599 0.018 . 1 . . . . 553 MET N . 25549 1 70 . 1 1 21 21 ALA H H 1 8.207 0.034 . 1 . . . . 554 ALA H . 25549 1 71 . 1 1 21 21 ALA CA C 13 53.780 0.008 . 1 . . . . 554 ALA CA . 25549 1 72 . 1 1 21 21 ALA CB C 13 18.702 0.003 . 1 . . . . 554 ALA CB . 25549 1 73 . 1 1 21 21 ALA N N 15 124.532 0.039 . 1 . . . . 554 ALA N . 25549 1 74 . 1 1 22 22 ALA H H 1 7.882 0.002 . 1 . . . . 555 ALA H . 25549 1 75 . 1 1 22 22 ALA CA C 13 53.324 0.049 . 1 . . . . 555 ALA CA . 25549 1 76 . 1 1 22 22 ALA CB C 13 18.766 0.034 . 1 . . . . 555 ALA CB . 25549 1 77 . 1 1 22 22 ALA N N 15 122.110 0.032 . 1 . . . . 555 ALA N . 25549 1 78 . 1 1 23 23 PHE H H 1 7.936 0.004 . 1 . . . . 556 PHE H . 25549 1 79 . 1 1 23 23 PHE CA C 13 58.497 0.023 . 1 . . . . 556 PHE CA . 25549 1 80 . 1 1 23 23 PHE CB C 13 39.473 0.064 . 1 . . . . 556 PHE CB . 25549 1 81 . 1 1 23 23 PHE N N 15 119.468 0.028 . 1 . . . . 556 PHE N . 25549 1 82 . 1 1 24 24 MET H H 1 8.033 0.007 . 1 . . . . 557 MET H . 25549 1 83 . 1 1 24 24 MET CA C 13 55.950 0.032 . 1 . . . . 557 MET CA . 25549 1 84 . 1 1 24 24 MET CB C 13 32.416 0.077 . 1 . . . . 557 MET CB . 25549 1 85 . 1 1 24 24 MET N N 15 120.952 0.054 . 1 . . . . 557 MET N . 25549 1 86 . 1 1 25 25 ASN H H 1 8.127 0.002 . 1 . . . . 558 ASN H . 25549 1 87 . 1 1 25 25 ASN CA C 13 53.793 0.039 . 1 . . . . 558 ASN CA . 25549 1 88 . 1 1 25 25 ASN CB C 13 38.757 0.018 . 1 . . . . 558 ASN CB . 25549 1 89 . 1 1 25 25 ASN N N 15 120.020 0.023 . 1 . . . . 558 ASN N . 25549 1 90 . 1 1 26 26 TYR H H 1 7.993 0.001 . 1 . . . . 559 TYR H . 25549 1 91 . 1 1 26 26 TYR CA C 13 58.695 0.061 . 1 . . . . 559 TYR CA . 25549 1 92 . 1 1 26 26 TYR CB C 13 38.422 0.058 . 1 . . . . 559 TYR CB . 25549 1 93 . 1 1 26 26 TYR N N 15 121.885 0.043 . 1 . . . . 559 TYR N . 25549 1 94 . 1 1 27 27 LEU H H 1 7.967 0.002 . 1 . . . . 560 LEU H . 25549 1 95 . 1 1 27 27 LEU CA C 13 55.531 0.066 . 1 . . . . 560 LEU CA . 25549 1 96 . 1 1 27 27 LEU CB C 13 42.411 0.043 . 1 . . . . 560 LEU CB . 25549 1 97 . 1 1 27 27 LEU N N 15 123.771 0.064 . 1 . . . . 560 LEU N . 25549 1 98 . 1 1 28 28 GLU H H 1 8.120 0.003 . 1 . . . . 561 GLU H . 25549 1 99 . 1 1 28 28 GLU CA C 13 56.968 0.067 . 1 . . . . 561 GLU CA . 25549 1 100 . 1 1 28 28 GLU CB C 13 30.103 0.036 . 1 . . . . 561 GLU CB . 25549 1 101 . 1 1 28 28 GLU N N 15 121.992 0.066 . 1 . . . . 561 GLU N . 25549 1 102 . 1 1 29 29 ALA H H 1 8.101 0.004 . 1 . . . . 562 ALA H . 25549 1 103 . 1 1 29 29 ALA CA C 13 52.841 0.017 . 1 . . . . 562 ALA CA . 25549 1 104 . 1 1 29 29 ALA CB C 13 19.311 0.043 . 1 . . . . 562 ALA CB . 25549 1 105 . 1 1 29 29 ALA N N 15 125.252 0.033 . 1 . . . . 562 ALA N . 25549 1 106 . 1 1 30 30 GLU H H 1 8.294 0.001 . 1 . . . . 563 GLU H . 25549 1 107 . 1 1 30 30 GLU CA C 13 56.815 0.016 . 1 . . . . 563 GLU CA . 25549 1 108 . 1 1 30 30 GLU CB C 13 30.111 0.021 . 1 . . . . 563 GLU CB . 25549 1 109 . 1 1 30 30 GLU N N 15 120.802 0.062 . 1 . . . . 563 GLU N . 25549 1 110 . 1 1 31 31 GLY H H 1 8.313 0.001 . 1 . . . . 564 GLY H . 25549 1 111 . 1 1 31 31 GLY CA C 13 45.535 0.035 . 1 . . . . 564 GLY CA . 25549 1 112 . 1 1 31 31 GLY N N 15 110.546 0.057 . 1 . . . . 564 GLY N . 25549 1 113 . 1 1 32 32 GLY H H 1 8.219 0.002 . 1 . . . . 565 GLY H . 25549 1 114 . 1 1 32 32 GLY CA C 13 45.371 0.017 . 1 . . . . 565 GLY CA . 25549 1 115 . 1 1 32 32 GLY N N 15 109.532 0.018 . 1 . . . . 565 GLY N . 25549 1 116 . 1 1 33 33 LEU H H 1 8.165 0.001 . 1 . . . . 566 LEU H . 25549 1 117 . 1 1 33 33 LEU CA C 13 55.249 0.019 . 1 . . . . 566 LEU CA . 25549 1 118 . 1 1 33 33 LEU CB C 13 42.556 0.033 . 1 . . . . 566 LEU CB . 25549 1 119 . 1 1 33 33 LEU N N 15 122.282 0.018 . 1 . . . . 566 LEU N . 25549 1 120 . 1 1 34 34 GLY H H 1 8.340 0.001 . 1 . . . . 567 GLY H . 25549 1 121 . 1 1 34 34 GLY CA C 13 44.931 0.006 . 1 . . . . 567 GLY CA . 25549 1 122 . 1 1 34 34 GLY N N 15 110.342 0.025 . 1 . . . . 567 GLY N . 25549 1 123 . 1 1 35 35 ASP H H 1 8.263 0.034 . 1 . . . . 568 ASP H . 25549 1 124 . 1 1 35 35 ASP CA C 13 52.267 0.035 . 1 . . . . 568 ASP CA . 25549 1 125 . 1 1 35 35 ASP N N 15 122.974 0.029 . 1 . . . . 568 ASP N . 25549 1 126 . 1 1 36 36 PRO CA C 13 63.718 0.035 . 1 . . . . 569 PRO CA . 25549 1 127 . 1 1 36 36 PRO CB C 13 32.132 0.035 . 1 . . . . 569 PRO CB . 25549 1 128 . 1 1 37 37 GLY H H 1 8.452 0.002 . 1 . . . . 570 GLY H . 25549 1 129 . 1 1 37 37 GLY CA C 13 45.327 0.026 . 1 . . . . 570 GLY CA . 25549 1 130 . 1 1 37 37 GLY N N 15 109.411 0.038 . 1 . . . . 570 GLY N . 25549 1 131 . 1 1 38 38 ASP H H 1 8.019 0.002 . 1 . . . . 571 ASP H . 25549 1 132 . 1 1 38 38 ASP CA C 13 54.209 0.026 . 1 . . . . 571 ASP CA . 25549 1 133 . 1 1 38 38 ASP CB C 13 41.222 0.042 . 1 . . . . 571 ASP CB . 25549 1 134 . 1 1 38 38 ASP N N 15 121.144 0.012 . 1 . . . . 571 ASP N . 25549 1 135 . 1 1 39 39 PHE H H 1 8.185 0.001 . 1 . . . . 572 PHE H . 25549 1 136 . 1 1 39 39 PHE CA C 13 57.748 0.020 . 1 . . . . 572 PHE CA . 25549 1 137 . 1 1 39 39 PHE CB C 13 39.233 0.011 . 1 . . . . 572 PHE CB . 25549 1 138 . 1 1 39 39 PHE N N 15 121.806 0.018 . 1 . . . . 572 PHE N . 25549 1 139 . 1 1 40 40 SER H H 1 8.170 0.001 . 1 . . . . 573 SER H . 25549 1 140 . 1 1 40 40 SER CA C 13 58.772 0.080 . 1 . . . . 573 SER CA . 25549 1 141 . 1 1 40 40 SER CB C 13 63.849 0.040 . 1 . . . . 573 SER CB . 25549 1 142 . 1 1 40 40 SER N N 15 118.024 0.034 . 1 . . . . 573 SER N . 25549 1 143 . 1 1 41 41 ASP H H 1 8.275 0.002 . 1 . . . . 574 ASP H . 25549 1 144 . 1 1 41 41 ASP CA C 13 54.309 0.014 . 1 . . . . 574 ASP CA . 25549 1 145 . 1 1 41 41 ASP CB C 13 41.192 0.076 . 1 . . . . 574 ASP CB . 25549 1 146 . 1 1 41 41 ASP N N 15 123.252 0.014 . 1 . . . . 574 ASP N . 25549 1 147 . 1 1 42 42 ILE H H 1 7.862 0.002 . 1 . . . . 575 ILE H . 25549 1 148 . 1 1 42 42 ILE CA C 13 61.330 0.025 . 1 . . . . 575 ILE CA . 25549 1 149 . 1 1 42 42 ILE CB C 13 38.711 0.012 . 1 . . . . 575 ILE CB . 25549 1 150 . 1 1 42 42 ILE N N 15 121.477 0.041 . 1 . . . . 575 ILE N . 25549 1 151 . 1 1 43 43 GLN H H 1 8.218 0.001 . 1 . . . . 576 GLN H . 25549 1 152 . 1 1 43 43 GLN CA C 13 55.862 0.027 . 1 . . . . 576 GLN CA . 25549 1 153 . 1 1 43 43 GLN CB C 13 29.216 0.022 . 1 . . . . 576 GLN CB . 25549 1 154 . 1 1 43 43 GLN N N 15 124.695 0.051 . 1 . . . . 576 GLN N . 25549 1 155 . 1 1 44 44 TRP H H 1 7.925 0.001 . 1 . . . . 577 TRP H . 25549 1 156 . 1 1 44 44 TRP CA C 13 56.860 0.063 . 1 . . . . 577 TRP CA . 25549 1 157 . 1 1 44 44 TRP CB C 13 29.772 0.065 . 1 . . . . 577 TRP CB . 25549 1 158 . 1 1 44 44 TRP N N 15 122.961 0.019 . 1 . . . . 577 TRP N . 25549 1 159 . 1 1 45 45 ALA H H 1 7.949 0.034 . 1 . . . . 578 ALA H . 25549 1 160 . 1 1 45 45 ALA CA C 13 52.306 0.027 . 1 . . . . 578 ALA CA . 25549 1 161 . 1 1 45 45 ALA CB C 13 19.395 0.009 . 1 . . . . 578 ALA CB . 25549 1 162 . 1 1 45 45 ALA N N 15 126.679 0.031 . 1 . . . . 578 ALA N . 25549 1 163 . 1 1 46 46 LEU H H 1 7.652 0.002 . 1 . . . . 579 LEU H . 25549 1 164 . 1 1 46 46 LEU CA C 13 56.711 0.035 . 1 . . . . 579 LEU CA . 25549 1 165 . 1 1 46 46 LEU CB C 13 43.475 0.035 . 1 . . . . 579 LEU CB . 25549 1 166 . 1 1 46 46 LEU N N 15 128.423 0.037 . 1 . . . . 579 LEU N . 25549 1 stop_ save_