data_28025 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28025 _Entry.Title ; human_CIRBP_138-172 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-10-04 _Entry.Accession_date 2019-10-04 _Entry.Last_release_date 2019-10-04 _Entry.Original_release_date 2019-10-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Benjamin Bourgeois . . . . 28025 2 Tobias Madl . . . . 28025 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'medical university of Graz' . 28025 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28025 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 35 28025 '1H chemical shifts' 35 28025 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 . . 2020-04-21 2019-10-04 update BMRB 'update entry citation' 28025 1 . . 2020-04-03 2019-10-04 original author 'original release' 28025 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28026 'human TNPO1 328-381' 28025 BMRB 28027 'human CIRBP 38-137' 28025 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28025 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32234784 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Nonclassical nuclear localization signals mediate nuclear import of CIRBP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 8503 _Citation.Page_last 8514 _Citation.Year 2020 _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 Benjamin Bourgeois B. . . . 28025 1 2 Saskia Hutten S. . . . 28025 1 3 Benjamin Gottschalk B. . . . 28025 1 4 Mario Hofweber M. . . . 28025 1 5 Gesa Richter G. . . . 28025 1 6 Julia Sternat J. . . . 28025 1 7 Claudia Abou-Ajram C. . . . 28025 1 8 Christoph Gobl C. . . . 28025 1 9 Gerd Leitinger G. . . . 28025 1 10 Wolfgang Graier W. F. . . 28025 1 11 Dorothee Dormann D. . . . 28025 1 12 Tobias Madl T. . . . 28025 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28025 _Assembly.ID 1 _Assembly.Name human_CIRBP_138-172 _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 . _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 CIRBP_138-172 1 $CIRBP A . yes native no no . . . 28025 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CIRBP _Entity.Sf_category entity _Entity.Sf_framecode CIRBP _Entity.Entry_ID 28025 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CIRBP _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 ; GAMSRDYYSSRSQSGGYSDR SSGGSYRDSYDSYATHNE ; _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 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'region 138 to 172 of human CIRP' _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 1 135 GLY . 28025 1 2 136 ALA . 28025 1 3 137 MET . 28025 1 4 138 SER . 28025 1 5 139 ARG . 28025 1 6 140 ASP . 28025 1 7 141 TYR . 28025 1 8 142 TYR . 28025 1 9 143 SER . 28025 1 10 144 SER . 28025 1 11 145 ARG . 28025 1 12 146 SER . 28025 1 13 147 GLN . 28025 1 14 148 SER . 28025 1 15 149 GLY . 28025 1 16 150 GLY . 28025 1 17 151 TYR . 28025 1 18 152 SER . 28025 1 19 153 ASP . 28025 1 20 154 ARG . 28025 1 21 155 SER . 28025 1 22 156 SER . 28025 1 23 157 GLY . 28025 1 24 158 GLY . 28025 1 25 159 SER . 28025 1 26 160 TYR . 28025 1 27 161 ARG . 28025 1 28 162 ASP . 28025 1 29 163 SER . 28025 1 30 164 TYR . 28025 1 31 165 ASP . 28025 1 32 166 SER . 28025 1 33 167 TYR . 28025 1 34 168 ALA . 28025 1 35 169 THR . 28025 1 36 170 HIS . 28025 1 37 171 ASN . 28025 1 38 172 GLU . 28025 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 28025 1 . ALA 2 2 28025 1 . MET 3 3 28025 1 . SER 4 4 28025 1 . ARG 5 5 28025 1 . ASP 6 6 28025 1 . TYR 7 7 28025 1 . TYR 8 8 28025 1 . SER 9 9 28025 1 . SER 10 10 28025 1 . ARG 11 11 28025 1 . SER 12 12 28025 1 . GLN 13 13 28025 1 . SER 14 14 28025 1 . GLY 15 15 28025 1 . GLY 16 16 28025 1 . TYR 17 17 28025 1 . SER 18 18 28025 1 . ASP 19 19 28025 1 . ARG 20 20 28025 1 . SER 21 21 28025 1 . SER 22 22 28025 1 . GLY 23 23 28025 1 . GLY 24 24 28025 1 . SER 25 25 28025 1 . TYR 26 26 28025 1 . ARG 27 27 28025 1 . ASP 28 28 28025 1 . SER 29 29 28025 1 . TYR 30 30 28025 1 . ASP 31 31 28025 1 . SER 32 32 28025 1 . TYR 33 33 28025 1 . ALA 34 34 28025 1 . THR 35 35 28025 1 . HIS 36 36 28025 1 . ASN 37 37 28025 1 . GLU 38 38 28025 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 28025 _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 $CIRBP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CIRBP 'fragment 138-172' 28025 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 28025 _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 $CIRBP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM-11 . . . 28025 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28025 _Sample.ID 1 _Sample.Name . _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 CIRBP '[U-99% 13C; U-99% 15N]' . . 1 $CIRBP . . 500 . . uM . . . . 28025 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 28025 1 3 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 28025 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 28025 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 28025 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 28025 1 pH 6.7 . pH 28025 1 pressure 1 . atm 28025 1 temperature 298 . K 28025 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 28025 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28025 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28025 1 . 'peak picking' 28025 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 28025 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 28025 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 28025 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 28025 _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 . . . . . . . . . . . $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28025 1 2 '3D HNCACB' no . . . . . . . . . . . $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28025 1 3 '3D HNCANNH' no . . . . . . . . . . . $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28025 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 28025 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 4.673 na indirect 1 . . . . . 28025 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 117 na indirect 1 . . . . . 28025 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 28025 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 28025 1 2 '3D HNCACB' . . . 28025 1 3 '3D HNCANNH' . . . 28025 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 SER H H 1 8.11645 0.0014 . 1 . . . . . 138 SER H . 28025 1 2 . 1 . 1 4 4 SER N N 15 115.67378 0.02084 . 1 . . . . . 138 SER N . 28025 1 3 . 1 . 1 5 5 ARG H H 1 8.34229 3.54E-04 . 1 . . . . . 139 ARG H . 28025 1 4 . 1 . 1 5 5 ARG N N 15 122.4270 0.02569 . 1 . . . . . 139 ARG N . 28025 1 5 . 1 . 1 6 6 ASP H H 1 8.14288 2.54E-05 . 1 . . . . . 140 ASP H . 28025 1 6 . 1 . 1 6 6 ASP N N 15 120.5893 0.09324 . 1 . . . . . 140 ASP N . 28025 1 7 . 1 . 1 7 7 TYR H H 1 7.93879 6.09E-04 . 1 . . . . . 141 TYR H . 28025 1 8 . 1 . 1 7 7 TYR N N 15 120.70369 0.12127 . 1 . . . . . 141 TYR N . 28025 1 9 . 1 . 1 8 8 TYR H H 1 7.96283 0.0169 . 1 . . . . . 142 TYR H . 28025 1 10 . 1 . 1 8 8 TYR N N 15 120.403 0.00914 . 1 . . . . . 142 TYR N . 28025 1 11 . 1 . 1 9 9 SER H H 1 116.95709 0.32777 . 1 . . . . . 143 SER H . 28025 1 12 . 1 . 1 9 9 SER N N 15 8.00193 0.0165 . 1 . . . . . 143 SER N . 28025 1 13 . 1 . 1 10 10 SER H H 1 8.14418 8.80E-04 . 1 . . . . . 144 SER H . 28025 1 14 . 1 . 1 10 10 SER N N 15 117.1842 0.32341 . 1 . . . . . 144 SER N . 28025 1 15 . 1 . 1 11 11 ARG H H 1 8.10878 0.02509 . 1 . . . . . 145 ARG H . 28025 1 16 . 1 . 1 11 11 ARG N N 15 122.26617 0.00133 . 1 . . . . . 145 ARG N . 28025 1 17 . 1 . 1 12 12 SER H H 1 8.12392 0.02277 . 1 . . . . . 146 SER H . 28025 1 18 . 1 . 1 12 12 SER N N 15 116.20576 0.01433 . 1 . . . . . 146 SER N . 28025 1 19 . 1 . 1 13 13 GLN H H 1 8.2978 6.30E-04 . 1 . . . . . 147 GLN H . 28025 1 20 . 1 . 1 13 13 GLN N N 15 122.00058 0.00375 . 1 . . . . . 147 GLN N . 28025 1 21 . 1 . 1 14 14 SER H H 1 8.23283 4.58E-04 . 1 . . . . . 148 SER H . 28025 1 22 . 1 . 1 14 14 SER N N 15 116.2579 0.00578 . 1 . . . . . 148 SER N . 28025 1 23 . 1 . 1 15 15 GLY H H 1 8.30943 4.61E-04 . 1 . . . . . 149 GLY H . 28025 1 24 . 1 . 1 15 15 GLY N N 15 110.74106 0.00723 . 1 . . . . . 149 GLY N . 28025 1 25 . 1 . 1 16 16 GLY H H 1 8.12519 6.54E-04 . 1 . . . . . 150 GLY H . 28025 1 26 . 1 . 1 16 16 GLY N N 15 108.49657 0.01149 . 1 . . . . . 150 GLY N . 28025 1 27 . 1 . 1 17 17 TYR H H 1 8.05821 0.04838 . 1 . . . . . 151 TYR H . 28025 1 28 . 1 . 1 17 17 TYR N N 15 120.07194 0.00933 . 1 . . . . . 151 TYR N . 28025 1 29 . 1 . 1 18 18 SER H H 1 8.08104 0.04171 . 1 . . . . . 152 SER H . 28025 1 30 . 1 . 1 18 18 SER N N 15 117.30174 0.0083 . 1 . . . . . 152 SER N . 28025 1 31 . 1 . 1 19 19 ASP H H 1 8.18269 0.03745 . 1 . . . . . 153 ASP H . 28025 1 32 . 1 . 1 19 19 ASP N N 15 122.29548 0.01203 . 1 . . . . . 153 ASP N . 28025 1 33 . 1 . 1 20 20 ARG H H 1 8.19104 0.01122 . 1 . . . . . 154 ARG H . 28025 1 34 . 1 . 1 20 20 ARG N N 15 121.15632 0.00513 . 1 . . . . . 154 ARG N . 28025 1 35 . 1 . 1 21 21 SER H H 1 8.2468 0.04199 . 1 . . . . . 155 SER H . 28025 1 36 . 1 . 1 21 21 SER N N 15 116.48391 0.01382 . 1 . . . . . 155 SER N . 28025 1 37 . 1 . 1 22 22 SER H H 1 8.2613 0.03328 . 1 . . . . . 156 SER H . 28025 1 38 . 1 . 1 22 22 SER N N 15 117.35983 0.00473 . 1 . . . . . 156 SER N . 28025 1 39 . 1 . 1 23 23 GLY H H 1 8.28444 0.03275 . 1 . . . . . 157 GLY H . 28025 1 40 . 1 . 1 23 23 GLY N N 15 110.50417 0.00595 . 1 . . . . . 157 GLY N . 28025 1 41 . 1 . 1 24 24 GLY H H 1 8.13935 0.01211 . 1 . . . . . 158 GLY H . 28025 1 42 . 1 . 1 24 24 GLY N N 15 108.61015 0.01291 . 1 . . . . . 158 GLY N . 28025 1 43 . 1 . 1 25 25 SER H H 1 8.12782 0.01236 . 1 . . . . . 159 SER H . 28025 1 44 . 1 . 1 25 25 SER N N 15 115.59862 0.01733 . 1 . . . . . 159 SER N . 28025 1 45 . 1 . 1 26 26 TYR H H 1 8.14809 0.01076 . 1 . . . . . 160 TYR H . 28025 1 46 . 1 . 1 26 26 TYR N N 15 122.4321 0.1276 . 1 . . . . . 160 TYR N . 28025 1 47 . 1 . 1 27 27 ARG H H 1 7.966 4.14E-04 . 1 . . . . . 161 ARG H . 28025 1 48 . 1 . 1 27 27 ARG N N 15 122.52438 0.03233 . 1 . . . . . 161 ARG N . 28025 1 49 . 1 . 1 28 28 ASP H H 1 8.13791 3.70E-04 . 1 . . . . . 162 ASP H . 28025 1 50 . 1 . 1 28 28 ASP N N 15 121.04119 0.00341 . 1 . . . . . 162 ASP N . 28025 1 51 . 1 . 1 29 29 SER H H 1 8.0088 7.71E-04 . 1 . . . . . 163 SER H . 28025 1 52 . 1 . 1 29 29 SER N N 15 115.10864 0.01644 . 1 . . . . . 163 SER N . 28025 1 53 . 1 . 1 30 30 TYR H H 1 8.12212 0.01194 . 1 . . . . . 164 TYR H . 28025 1 54 . 1 . 1 30 30 TYR N N 15 121.99722 0.02129 . 1 . . . . . 164 TYR N . 28025 1 55 . 1 . 1 31 31 ASP H H 1 8.10498 2.20E-04 . 1 . . . . . 165 ASP H . 28025 1 56 . 1 . 1 31 31 ASP N N 15 121.41955 0.00315 . 1 . . . . . 165 ASP N . 28025 1 57 . 1 . 1 32 32 SER H H 1 8.03127 0.00285 . 1 . . . . . 166 SER H . 28025 1 58 . 1 . 1 32 32 SER N N 15 116.24957 0.01524 . 1 . . . . . 166 SER N . 28025 1 59 . 1 . 1 33 33 TYR H H 1 8.03077 0.00285 . 1 . . . . . 167 TYR H . 28025 1 60 . 1 . 1 33 33 TYR N N 15 121.44032 0.00578 . 1 . . . . . 167 TYR N . 28025 1 61 . 1 . 1 34 34 ALA H H 1 7.87468 0.01556 . 1 . . . . . 168 ALA H . 28025 1 62 . 1 . 1 34 34 ALA N N 15 124.34292 0.04546 . 1 . . . . . 168 ALA N . 28025 1 63 . 1 . 1 35 35 THR H H 1 7.88779 0.02448 . 1 . . . . . 169 THR H . 28025 1 64 . 1 . 1 35 35 THR N N 15 112.51834 0.02261 . 1 . . . . . 169 THR N . 28025 1 65 . 1 . 1 36 36 HIS H H 1 8.31063 0.01887 . 1 . . . . . 170 HIS H . 28025 1 66 . 1 . 1 36 36 HIS N N 15 120.65221 0.08828 . 1 . . . . . 170 HIS N . 28025 1 67 . 1 . 1 37 37 ASN H H 1 8.39358 0.01625 . 1 . . . . . 171 ASN H . 28025 1 68 . 1 . 1 37 37 ASN N N 15 120.95473 0.02519 . 1 . . . . . 171 ASN N . 28025 1 69 . 1 . 1 38 38 GLU H H 1 7.97736 0.00757 . 1 . . . . . 172 GLU H . 28025 1 70 . 1 . 1 38 38 GLU N N 15 126.09981 0.00464 . 1 . . . . . 172 GLU N . 28025 1 stop_ save_