data_52421 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52421 _Entry.Title ; Neh5ex backbone chemical shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-04-22 _Entry.Accession_date 2024-04-22 _Entry.Last_release_date 2024-04-24 _Entry.Original_release_date 2024-04-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 'Chemical shift assignments of Neh5ex (residues 155-220 of human Nrf2)' _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 Nadun Karunatilleke . . . . 52421 2 Anne Brickenden . . . . 52421 3 Wing-Yiu Choy . . . . 52421 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52421 heteronucl_NOEs 1 52421 heteronucl_T1_relaxation 1 52421 heteronucl_T1rho_relaxation 1 52421 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 119 52421 '15N chemical shifts' 48 52421 '1H chemical shifts' 48 52421 'T1 relaxation values' 40 52421 'T1rho relaxation values' 40 52421 'heteronuclear NOE values' 40 52421 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-08-20 . original BMRB . 52421 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52420 'Neh4ex, residues 99-160 of human Nrf2' 52421 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52421 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39150085 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular basis of the interactions between the disordered Neh4 and Neh5 domains of Nrf2 and CBP/p300 in oxidative stress response ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 33 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1469-896X _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 e5137 _Citation.Page_last e5137 _Citation.Year 2024 _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 Nadun Karunatilleke . . . . 52421 1 2 Anne Brickenden . . . . 52421 1 3 Wing-Yiu Choy . . . . 52421 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52421 _Assembly.ID 1 _Assembly.Name Neh5ex _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 Neh5ex 1 $entity_1 . . yes native no no . . . 52421 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52421 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; VFIATNQAQSPETSVAQVAP VDLDGMQQDIEQVWEELLSI PELQCLNIENDKLVETTMVP SPEAKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 155-220 of human Nrf2' _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1 155 VAL . 52421 1 2 156 PHE . 52421 1 3 157 ILE . 52421 1 4 158 ALA . 52421 1 5 159 THR . 52421 1 6 160 ASN . 52421 1 7 161 GLN . 52421 1 8 162 ALA . 52421 1 9 163 GLN . 52421 1 10 164 SER . 52421 1 11 165 PRO . 52421 1 12 166 GLU . 52421 1 13 167 THR . 52421 1 14 168 SER . 52421 1 15 169 VAL . 52421 1 16 170 ALA . 52421 1 17 171 GLN . 52421 1 18 172 VAL . 52421 1 19 173 ALA . 52421 1 20 174 PRO . 52421 1 21 175 VAL . 52421 1 22 176 ASP . 52421 1 23 177 LEU . 52421 1 24 178 ASP . 52421 1 25 179 GLY . 52421 1 26 180 MET . 52421 1 27 181 GLN . 52421 1 28 182 GLN . 52421 1 29 183 ASP . 52421 1 30 184 ILE . 52421 1 31 185 GLU . 52421 1 32 186 GLN . 52421 1 33 187 VAL . 52421 1 34 188 TRP . 52421 1 35 189 GLU . 52421 1 36 190 GLU . 52421 1 37 191 LEU . 52421 1 38 192 LEU . 52421 1 39 193 SER . 52421 1 40 194 ILE . 52421 1 41 195 PRO . 52421 1 42 196 GLU . 52421 1 43 197 LEU . 52421 1 44 198 GLN . 52421 1 45 199 CYS . 52421 1 46 200 LEU . 52421 1 47 201 ASN . 52421 1 48 202 ILE . 52421 1 49 203 GLU . 52421 1 50 204 ASN . 52421 1 51 205 ASP . 52421 1 52 206 LYS . 52421 1 53 207 LEU . 52421 1 54 208 VAL . 52421 1 55 209 GLU . 52421 1 56 210 THR . 52421 1 57 211 THR . 52421 1 58 212 MET . 52421 1 59 213 VAL . 52421 1 60 214 PRO . 52421 1 61 215 SER . 52421 1 62 216 PRO . 52421 1 63 217 GLU . 52421 1 64 218 ALA . 52421 1 65 219 LYS . 52421 1 66 220 LEU . 52421 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 . VAL 1 1 52421 1 . PHE 2 2 52421 1 . ILE 3 3 52421 1 . ALA 4 4 52421 1 . THR 5 5 52421 1 . ASN 6 6 52421 1 . GLN 7 7 52421 1 . ALA 8 8 52421 1 . GLN 9 9 52421 1 . SER 10 10 52421 1 . PRO 11 11 52421 1 . GLU 12 12 52421 1 . THR 13 13 52421 1 . SER 14 14 52421 1 . VAL 15 15 52421 1 . ALA 16 16 52421 1 . GLN 17 17 52421 1 . VAL 18 18 52421 1 . ALA 19 19 52421 1 . PRO 20 20 52421 1 . VAL 21 21 52421 1 . ASP 22 22 52421 1 . LEU 23 23 52421 1 . ASP 24 24 52421 1 . GLY 25 25 52421 1 . MET 26 26 52421 1 . GLN 27 27 52421 1 . GLN 28 28 52421 1 . ASP 29 29 52421 1 . ILE 30 30 52421 1 . GLU 31 31 52421 1 . GLN 32 32 52421 1 . VAL 33 33 52421 1 . TRP 34 34 52421 1 . GLU 35 35 52421 1 . GLU 36 36 52421 1 . LEU 37 37 52421 1 . LEU 38 38 52421 1 . SER 39 39 52421 1 . ILE 40 40 52421 1 . PRO 41 41 52421 1 . GLU 42 42 52421 1 . LEU 43 43 52421 1 . GLN 44 44 52421 1 . CYS 45 45 52421 1 . LEU 46 46 52421 1 . ASN 47 47 52421 1 . ILE 48 48 52421 1 . GLU 49 49 52421 1 . ASN 50 50 52421 1 . ASP 51 51 52421 1 . LYS 52 52 52421 1 . LEU 53 53 52421 1 . VAL 54 54 52421 1 . GLU 55 55 52421 1 . THR 56 56 52421 1 . THR 57 57 52421 1 . MET 58 58 52421 1 . VAL 59 59 52421 1 . PRO 60 60 52421 1 . SER 61 61 52421 1 . PRO 62 62 52421 1 . GLU 63 63 52421 1 . ALA 64 64 52421 1 . LYS 65 65 52421 1 . LEU 66 66 52421 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52421 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52421 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52421 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pDEST17 . . . 52421 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52421 _Sample.ID 1 _Sample.Name 13C-15N-Nexh5ex _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Neh5ex '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 52421 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52421 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52421 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52421 _Sample.ID 2 _Sample.Name 15N-Nexh5ex _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Neh5ex [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 52421 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52421 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52421 2 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 52421 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 52421 1 pH 6.5 . pH 52421 1 pressure 1 . atm 52421 1 temperature 298 . K 52421 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52421 _Software.ID 1 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52421 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52421 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52421 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52421 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian Inova 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52421 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52421 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52421 1 3 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52421 1 4 'T1/R1 relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52421 1 5 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52421 1 6 '1H-15N heteronoe' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52421 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52421 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 internal indirect 0.251449530 . . . . . 52421 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52421 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 52421 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52421 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Neh5ex chemical shifts' _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 $chem_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 '3D HNCACB' . . . 52421 1 2 '3D CBCA(CO)NH' . . . 52421 1 3 '3D C(CO)NH' . . . 52421 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52421 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 1 1 VAL CA C 13 62.19 0.1 . . . . . . . 155 VAL CA . 52421 1 2 . 1 . 1 1 1 VAL CB C 13 32.90 0.1 . . . . . . . 155 VAL CB . 52421 1 3 . 1 . 1 2 2 PHE H H 1 8.50 0.01 . . . . . . . 156 PHE H . 52421 1 4 . 1 . 1 2 2 PHE CA C 13 58.04 0.1 . . . . . . . 156 PHE CA . 52421 1 5 . 1 . 1 2 2 PHE CB C 13 39.90 0.1 . . . . . . . 156 PHE CB . 52421 1 6 . 1 . 1 2 2 PHE N N 15 124.93 0.1 . . . . . . . 156 PHE N . 52421 1 7 . 1 . 1 3 3 ILE H H 1 8.02 0.01 . . . . . . . 157 ILE H . 52421 1 8 . 1 . 1 3 3 ILE CA C 13 60.31 0.1 . . . . . . . 157 ILE CA . 52421 1 9 . 1 . 1 3 3 ILE CB C 13 39.32 0.1 . . . . . . . 157 ILE CB . 52421 1 10 . 1 . 1 3 3 ILE N N 15 125.70 0.1 . . . . . . . 157 ILE N . 52421 1 11 . 1 . 1 4 4 ALA H H 1 8.33 0.01 . . . . . . . 158 ALA H . 52421 1 12 . 1 . 1 4 4 ALA CA C 13 52.53 0.1 . . . . . . . 158 ALA CA . 52421 1 13 . 1 . 1 4 4 ALA CB C 13 19.43 0.1 . . . . . . . 158 ALA CB . 52421 1 14 . 1 . 1 4 4 ALA N N 15 128.83 0.1 . . . . . . . 158 ALA N . 52421 1 15 . 1 . 1 5 5 THR H H 1 8.12 0.01 . . . . . . . 159 THR H . 52421 1 16 . 1 . 1 5 5 THR CA C 13 61.86 0.1 . . . . . . . 159 THR CA . 52421 1 17 . 1 . 1 5 5 THR CB C 13 69.77 0.1 . . . . . . . 159 THR CB . 52421 1 18 . 1 . 1 5 5 THR N N 15 113.19 0.1 . . . . . . . 159 THR N . 52421 1 19 . 1 . 1 6 6 ASN H H 1 8.43 0.01 . . . . . . . 160 ASN H . 52421 1 20 . 1 . 1 6 6 ASN CA C 13 53.45 0.1 . . . . . . . 160 ASN CA . 52421 1 21 . 1 . 1 6 6 ASN CB C 13 38.77 0.1 . . . . . . . 160 ASN CB . 52421 1 22 . 1 . 1 6 6 ASN N N 15 120.47 0.1 . . . . . . . 160 ASN N . 52421 1 23 . 1 . 1 7 7 GLN CA C 13 55.97 0.1 . . . . . . . 161 GLN CA . 52421 1 24 . 1 . 1 7 7 GLN CB C 13 29.47 0.1 . . . . . . . 161 GLN CB . 52421 1 25 . 1 . 1 8 8 ALA H H 1 8.32 0.01 . . . . . . . 162 ALA H . 52421 1 26 . 1 . 1 8 8 ALA CA C 13 52.66 0.1 . . . . . . . 162 ALA CA . 52421 1 27 . 1 . 1 8 8 ALA CB C 13 19.30 0.1 . . . . . . . 162 ALA CB . 52421 1 28 . 1 . 1 8 8 ALA N N 15 125.01 0.1 . . . . . . . 162 ALA N . 52421 1 29 . 1 . 1 9 9 GLN H H 1 8.31 0.01 . . . . . . . 163 GLN H . 52421 1 30 . 1 . 1 9 9 GLN CA C 13 55.64 0.1 . . . . . . . 163 GLN CA . 52421 1 31 . 1 . 1 9 9 GLN CB C 13 29.79 0.1 . . . . . . . 163 GLN CB . 52421 1 32 . 1 . 1 9 9 GLN N N 15 119.45 0.1 . . . . . . . 163 GLN N . 52421 1 33 . 1 . 1 10 10 SER H H 1 8.40 0.01 . . . . . . . 164 SER H . 52421 1 34 . 1 . 1 10 10 SER CA C 13 58.37 0.1 . . . . . . . 164 SER CA . 52421 1 35 . 1 . 1 10 10 SER CB C 13 63.42 0.1 . . . . . . . 164 SER CB . 52421 1 36 . 1 . 1 10 10 SER N N 15 118.59 0.1 . . . . . . . 164 SER N . 52421 1 37 . 1 . 1 12 12 GLU CA C 13 57.11 0.1 . . . . . . . 166 GLU CA . 52421 1 38 . 1 . 1 12 12 GLU CB C 13 30.08 0.1 . . . . . . . 166 GLU CB . 52421 1 39 . 1 . 1 13 13 THR H H 1 8.09 0.01 . . . . . . . 167 THR H . 52421 1 40 . 1 . 1 13 13 THR CA C 13 61.93 0.1 . . . . . . . 167 THR CA . 52421 1 41 . 1 . 1 13 13 THR CB C 13 69.83 0.1 . . . . . . . 167 THR CB . 52421 1 42 . 1 . 1 13 13 THR N N 15 114.51 0.1 . . . . . . . 167 THR N . 52421 1 43 . 1 . 1 14 14 SER H H 1 8.29 0.01 . . . . . . . 168 SER H . 52421 1 44 . 1 . 1 14 14 SER CA C 13 58.37 0.1 . . . . . . . 168 SER CA . 52421 1 45 . 1 . 1 14 14 SER CB C 13 63.87 0.1 . . . . . . . 168 SER CB . 52421 1 46 . 1 . 1 14 14 SER N N 15 118.43 0.1 . . . . . . . 168 SER N . 52421 1 47 . 1 . 1 15 15 VAL H H 1 8.12 0.01 . . . . . . . 169 VAL H . 52421 1 48 . 1 . 1 15 15 VAL CA C 13 62.19 0.1 . . . . . . . 169 VAL CA . 52421 1 49 . 1 . 1 15 15 VAL CB C 13 32.90 0.1 . . . . . . . 169 VAL CB . 52421 1 50 . 1 . 1 15 15 VAL N N 15 121.64 0.1 . . . . . . . 169 VAL N . 52421 1 51 . 1 . 1 16 16 ALA H H 1 8.32 0.01 . . . . . . . 170 ALA H . 52421 1 52 . 1 . 1 16 16 ALA CA C 13 52.53 0.1 . . . . . . . 170 ALA CA . 52421 1 53 . 1 . 1 16 16 ALA CB C 13 19.36 0.1 . . . . . . . 170 ALA CB . 52421 1 54 . 1 . 1 16 16 ALA N N 15 127.64 0.1 . . . . . . . 170 ALA N . 52421 1 55 . 1 . 1 17 17 GLN H H 1 8.35 0.01 . . . . . . . 171 GLN H . 52421 1 56 . 1 . 1 17 17 GLN CA C 13 56.49 0.1 . . . . . . . 171 GLN CA . 52421 1 57 . 1 . 1 17 17 GLN CB C 13 29.73 0.1 . . . . . . . 171 GLN CB . 52421 1 58 . 1 . 1 17 17 GLN N N 15 120.30 0.1 . . . . . . . 171 GLN N . 52421 1 59 . 1 . 1 18 18 VAL H H 1 8.19 0.01 . . . . . . . 172 VAL H . 52421 1 60 . 1 . 1 18 18 VAL CA C 13 62.06 0.1 . . . . . . . 172 VAL CA . 52421 1 61 . 1 . 1 18 18 VAL CB C 13 33.10 0.1 . . . . . . . 172 VAL CB . 52421 1 62 . 1 . 1 18 18 VAL N N 15 122.09 0.1 . . . . . . . 172 VAL N . 52421 1 63 . 1 . 1 19 19 ALA H H 1 8.42 0.01 . . . . . . . 173 ALA H . 52421 1 64 . 1 . 1 19 19 ALA CA C 13 52.34 0.1 . . . . . . . 173 ALA CA . 52421 1 65 . 1 . 1 19 19 ALA CB C 13 18.46 0.1 . . . . . . . 173 ALA CB . 52421 1 66 . 1 . 1 19 19 ALA N N 15 129.52 0.1 . . . . . . . 173 ALA N . 52421 1 67 . 1 . 1 20 20 PRO CA C 13 62.90 0.1 . . . . . . . 174 PRO CA . 52421 1 68 . 1 . 1 20 20 PRO CB C 13 32.13 0.1 . . . . . . . 174 PRO CB . 52421 1 69 . 1 . 1 21 21 VAL H H 1 8.15 0.01 . . . . . . . 175 VAL H . 52421 1 70 . 1 . 1 21 21 VAL CA C 13 62.25 0.1 . . . . . . . 175 VAL CA . 52421 1 71 . 1 . 1 21 21 VAL CB C 13 33.03 0.1 . . . . . . . 175 VAL CB . 52421 1 72 . 1 . 1 21 21 VAL N N 15 119.46 0.1 . . . . . . . 175 VAL N . 52421 1 73 . 1 . 1 22 22 ASP H H 1 8.37 0.01 . . . . . . . 176 ASP H . 52421 1 74 . 1 . 1 22 22 ASP CA C 13 54.02 0.1 . . . . . . . 176 ASP CA . 52421 1 75 . 1 . 1 22 22 ASP CB C 13 41.26 0.1 . . . . . . . 176 ASP CB . 52421 1 76 . 1 . 1 22 22 ASP N N 15 123.77 0.1 . . . . . . . 176 ASP N . 52421 1 77 . 1 . 1 23 23 LEU H H 1 8.27 0.01 . . . . . . . 177 LEU H . 52421 1 78 . 1 . 1 23 23 LEU CA C 13 55.64 0.1 . . . . . . . 177 LEU CA . 52421 1 79 . 1 . 1 23 23 LEU CB C 13 42.30 0.1 . . . . . . . 177 LEU CB . 52421 1 80 . 1 . 1 23 23 LEU N N 15 123.27 0.1 . . . . . . . 177 LEU N . 52421 1 81 . 1 . 1 24 24 ASP H H 1 8.32 0.01 . . . . . . . 178 ASP H . 52421 1 82 . 1 . 1 24 24 ASP CA C 13 55.00 0.1 . . . . . . . 178 ASP CA . 52421 1 83 . 1 . 1 24 24 ASP CB C 13 41.35 0.1 . . . . . . . 178 ASP CB . 52421 1 84 . 1 . 1 24 24 ASP N N 15 120.39 0.1 . . . . . . . 178 ASP N . 52421 1 85 . 1 . 1 25 25 GLY H H 1 8.27 0.01 . . . . . . . 179 GLY H . 52421 1 86 . 1 . 1 25 25 GLY CA C 13 45.93 0.1 . . . . . . . 179 GLY CA . 52421 1 87 . 1 . 1 25 25 GLY N N 15 109.00 0.1 . . . . . . . 179 GLY N . 52421 1 88 . 1 . 1 26 26 MET H H 1 8.13 0.01 . . . . . . . 180 MET H . 52421 1 89 . 1 . 1 26 26 MET CA C 13 55.64 0.1 . . . . . . . 180 MET CA . 52421 1 90 . 1 . 1 26 26 MET CB C 13 33.03 0.1 . . . . . . . 180 MET CB . 52421 1 91 . 1 . 1 26 26 MET N N 15 119.60 0.1 . . . . . . . 180 MET N . 52421 1 92 . 1 . 1 27 27 GLN H H 1 8.44 0.01 . . . . . . . 181 GLN H . 52421 1 93 . 1 . 1 27 27 GLN CA C 13 55.96 0.1 . . . . . . . 181 GLN CA . 52421 1 94 . 1 . 1 27 27 GLN CB C 13 29.66 0.1 . . . . . . . 181 GLN CB . 52421 1 95 . 1 . 1 27 27 GLN N N 15 121.76 0.1 . . . . . . . 181 GLN N . 52421 1 96 . 1 . 1 28 28 GLN H H 1 8.43 0.01 . . . . . . . 182 GLN H . 52421 1 97 . 1 . 1 28 28 GLN CA C 13 55.77 0.1 . . . . . . . 182 GLN CA . 52421 1 98 . 1 . 1 28 28 GLN CB C 13 29.84 0.1 . . . . . . . 182 GLN CB . 52421 1 99 . 1 . 1 28 28 GLN N N 15 121.76 0.1 . . . . . . . 182 GLN N . 52421 1 100 . 1 . 1 29 29 ASP H H 1 8.48 0.01 . . . . . . . 183 ASP H . 52421 1 101 . 1 . 1 29 29 ASP CA C 13 54.42 0.1 . . . . . . . 183 ASP CA . 52421 1 102 . 1 . 1 29 29 ASP CB C 13 41.17 0.1 . . . . . . . 183 ASP CB . 52421 1 103 . 1 . 1 29 29 ASP N N 15 122.09 0.1 . . . . . . . 183 ASP N . 52421 1 104 . 1 . 1 30 30 ILE H H 1 8.09 0.01 . . . . . . . 184 ILE H . 52421 1 105 . 1 . 1 30 30 ILE CA C 13 61.28 0.1 . . . . . . . 184 ILE CA . 52421 1 106 . 1 . 1 30 30 ILE CB C 13 39.12 0.1 . . . . . . . 184 ILE CB . 52421 1 107 . 1 . 1 30 30 ILE N N 15 120.67 0.1 . . . . . . . 184 ILE N . 52421 1 108 . 1 . 1 32 32 GLN CA C 13 55.64 0.1 . . . . . . . 186 GLN CA . 52421 1 109 . 1 . 1 32 32 GLN CB C 13 29.53 0.1 . . . . . . . 186 GLN CB . 52421 1 110 . 1 . 1 33 33 VAL H H 1 8.12 0.01 . . . . . . . 187 VAL H . 52421 1 111 . 1 . 1 33 33 VAL CA C 13 62.19 0.1 . . . . . . . 187 VAL CA . 52421 1 112 . 1 . 1 33 33 VAL CB C 13 32.90 0.1 . . . . . . . 187 VAL CB . 52421 1 113 . 1 . 1 33 33 VAL N N 15 121.98 0.1 . . . . . . . 187 VAL N . 52421 1 114 . 1 . 1 34 34 TRP H H 1 8.32 0.01 . . . . . . . 188 TRP H . 52421 1 115 . 1 . 1 34 34 TRP CA C 13 57.33 0.1 . . . . . . . 188 TRP CA . 52421 1 116 . 1 . 1 34 34 TRP CB C 13 29.92 0.1 . . . . . . . 188 TRP CB . 52421 1 117 . 1 . 1 34 34 TRP N N 15 125.73 0.1 . . . . . . . 188 TRP N . 52421 1 118 . 1 . 1 35 35 GLU H H 1 8.19 0.01 . . . . . . . 189 GLU H . 52421 1 119 . 1 . 1 35 35 GLU CA C 13 56.87 0.1 . . . . . . . 189 GLU CA . 52421 1 120 . 1 . 1 35 35 GLU CB C 13 30.77 0.1 . . . . . . . 189 GLU CB . 52421 1 121 . 1 . 1 35 35 GLU N N 15 123.00 0.1 . . . . . . . 189 GLU N . 52421 1 122 . 1 . 1 37 37 LEU CA C 13 55.25 0.1 . . . . . . . 191 LEU CA . 52421 1 123 . 1 . 1 37 37 LEU CB C 13 42.43 0.1 . . . . . . . 191 LEU CB . 52421 1 124 . 1 . 1 38 38 LEU H H 1 8.15 0.01 . . . . . . . 192 LEU H . 52421 1 125 . 1 . 1 38 38 LEU CA C 13 55.06 0.1 . . . . . . . 192 LEU CA . 52421 1 126 . 1 . 1 38 38 LEU CB C 13 42.62 0.1 . . . . . . . 192 LEU CB . 52421 1 127 . 1 . 1 38 38 LEU N N 15 122.94 0.1 . . . . . . . 192 LEU N . 52421 1 128 . 1 . 1 39 39 SER H H 1 8.19 0.01 . . . . . . . 193 SER H . 52421 1 129 . 1 . 1 39 39 SER CA C 13 57.91 0.1 . . . . . . . 193 SER CA . 52421 1 130 . 1 . 1 39 39 SER CB C 13 63.81 0.1 . . . . . . . 193 SER CB . 52421 1 131 . 1 . 1 39 39 SER N N 15 116.84 0.1 . . . . . . . 193 SER N . 52421 1 132 . 1 . 1 40 40 ILE H H 1 8.20 0.01 . . . . . . . 194 ILE H . 52421 1 133 . 1 . 1 40 40 ILE CA C 13 61.15 0.1 . . . . . . . 194 ILE CA . 52421 1 134 . 1 . 1 40 40 ILE CB C 13 38.54 0.1 . . . . . . . 194 ILE CB . 52421 1 135 . 1 . 1 40 40 ILE N N 15 124.33 0.1 . . . . . . . 194 ILE N . 52421 1 136 . 1 . 1 43 43 LEU CA C 13 55.32 0.1 . . . . . . . 197 LEU CA . 52421 1 137 . 1 . 1 43 43 LEU CB C 13 42.30 0.1 . . . . . . . 197 LEU CB . 52421 1 138 . 1 . 1 44 44 GLN H H 1 8.35 0.01 . . . . . . . 198 GLN H . 52421 1 139 . 1 . 1 44 44 GLN CA C 13 56.03 0.1 . . . . . . . 198 GLN CA . 52421 1 140 . 1 . 1 44 44 GLN CB C 13 29.60 0.1 . . . . . . . 198 GLN CB . 52421 1 141 . 1 . 1 44 44 GLN N N 15 121.04 0.1 . . . . . . . 198 GLN N . 52421 1 142 . 1 . 1 45 45 CYS H H 1 8.36 0.01 . . . . . . . 199 CYS H . 52421 1 143 . 1 . 1 45 45 CYS CA C 13 58.56 0.1 . . . . . . . 199 CYS CA . 52421 1 144 . 1 . 1 45 45 CYS CB C 13 33.74 0.1 . . . . . . . 199 CYS CB . 52421 1 145 . 1 . 1 45 45 CYS N N 15 120.39 0.1 . . . . . . . 199 CYS N . 52421 1 146 . 1 . 1 46 46 LEU H H 1 8.31 0.01 . . . . . . . 200 LEU H . 52421 1 147 . 1 . 1 46 46 LEU CA C 13 55.32 0.1 . . . . . . . 200 LEU CA . 52421 1 148 . 1 . 1 46 46 LEU CB C 13 42.69 0.1 . . . . . . . 200 LEU CB . 52421 1 149 . 1 . 1 46 46 LEU N N 15 124.44 0.1 . . . . . . . 200 LEU N . 52421 1 150 . 1 . 1 47 47 ASN H H 1 8.44 0.01 . . . . . . . 201 ASN H . 52421 1 151 . 1 . 1 47 47 ASN CA C 13 53.38 0.1 . . . . . . . 201 ASN CA . 52421 1 152 . 1 . 1 47 47 ASN CB C 13 38.74 0.1 . . . . . . . 201 ASN CB . 52421 1 153 . 1 . 1 47 47 ASN N N 15 119.94 0.1 . . . . . . . 201 ASN N . 52421 1 154 . 1 . 1 48 48 ILE H H 1 8.11 0.01 . . . . . . . 202 ILE H . 52421 1 155 . 1 . 1 48 48 ILE CA C 13 61.35 0.1 . . . . . . . 202 ILE CA . 52421 1 156 . 1 . 1 48 48 ILE CB C 13 38.86 0.1 . . . . . . . 202 ILE CB . 52421 1 157 . 1 . 1 48 48 ILE N N 15 121.24 0.1 . . . . . . . 202 ILE N . 52421 1 158 . 1 . 1 49 49 GLU CA C 13 56.75 0.1 . . . . . . . 203 GLU CA . 52421 1 159 . 1 . 1 49 49 GLU CB C 13 30.25 0.1 . . . . . . . 203 GLU CB . 52421 1 160 . 1 . 1 50 50 ASN H H 1 8.41 0.01 . . . . . . . 204 ASN H . 52421 1 161 . 1 . 1 50 50 ASN CA C 13 53.70 0.1 . . . . . . . 204 ASN CA . 52421 1 162 . 1 . 1 50 50 ASN CB C 13 39.05 0.1 . . . . . . . 204 ASN CB . 52421 1 163 . 1 . 1 50 50 ASN N N 15 119.83 0.1 . . . . . . . 204 ASN N . 52421 1 164 . 1 . 1 51 51 ASP H H 1 8.39 0.01 . . . . . . . 205 ASP H . 52421 1 165 . 1 . 1 51 51 ASP CA C 13 53.31 0.1 . . . . . . . 205 ASP CA . 52421 1 166 . 1 . 1 51 51 ASP CB C 13 38.79 0.1 . . . . . . . 205 ASP CB . 52421 1 167 . 1 . 1 51 51 ASP N N 15 120.55 0.1 . . . . . . . 205 ASP N . 52421 1 168 . 1 . 1 52 52 LYS H H 1 8.07 0.01 . . . . . . . 206 LYS H . 52421 1 169 . 1 . 1 52 52 LYS CA C 13 56.22 0.1 . . . . . . . 206 LYS CA . 52421 1 170 . 1 . 1 52 52 LYS CB C 13 32.92 0.1 . . . . . . . 206 LYS CB . 52421 1 171 . 1 . 1 52 52 LYS N N 15 120.58 0.1 . . . . . . . 206 LYS N . 52421 1 172 . 1 . 1 53 53 LEU H H 1 8.15 0.01 . . . . . . . 207 LEU H . 52421 1 173 . 1 . 1 53 53 LEU CA C 13 55.40 0.1 . . . . . . . 207 LEU CA . 52421 1 174 . 1 . 1 53 53 LEU CB C 13 42.39 0.1 . . . . . . . 207 LEU CB . 52421 1 175 . 1 . 1 53 53 LEU N N 15 122.98 0.1 . . . . . . . 207 LEU N . 52421 1 176 . 1 . 1 54 54 VAL H H 1 8.07 0.01 . . . . . . . 208 VAL H . 52421 1 177 . 1 . 1 54 54 VAL CA C 13 62.41 0.1 . . . . . . . 208 VAL CA . 52421 1 178 . 1 . 1 54 54 VAL CB C 13 32.92 0.1 . . . . . . . 208 VAL CB . 52421 1 179 . 1 . 1 54 54 VAL N N 15 121.34 0.1 . . . . . . . 208 VAL N . 52421 1 180 . 1 . 1 55 55 GLU CA C 13 56.60 0.1 . . . . . . . 209 GLU CA . 52421 1 181 . 1 . 1 55 55 GLU CB C 13 30.59 0.1 . . . . . . . 209 GLU CB . 52421 1 182 . 1 . 1 56 56 THR H H 1 8.28 0.01 . . . . . . . 210 THR H . 52421 1 183 . 1 . 1 56 56 THR CA C 13 61.99 0.1 . . . . . . . 210 THR CA . 52421 1 184 . 1 . 1 56 56 THR CB C 13 69.77 0.1 . . . . . . . 210 THR CB . 52421 1 185 . 1 . 1 56 56 THR N N 15 115.72 0.1 . . . . . . . 210 THR N . 52421 1 186 . 1 . 1 57 57 THR CA C 13 62.22 0.1 . . . . . . . 211 THR CA . 52421 1 187 . 1 . 1 57 57 THR CB C 13 69.80 0.1 . . . . . . . 211 THR CB . 52421 1 188 . 1 . 1 58 58 MET H H 1 8.39 0.01 . . . . . . . 212 MET H . 52421 1 189 . 1 . 1 58 58 MET CA C 13 55.53 0.1 . . . . . . . 212 MET CA . 52421 1 190 . 1 . 1 58 58 MET CB C 13 33.05 0.1 . . . . . . . 212 MET CB . 52421 1 191 . 1 . 1 58 58 MET N N 15 123.61 0.1 . . . . . . . 212 MET N . 52421 1 192 . 1 . 1 59 59 VAL H H 1 8.22 0.01 . . . . . . . 213 VAL H . 52421 1 193 . 1 . 1 59 59 VAL CA C 13 61.92 0.1 . . . . . . . 213 VAL CA . 52421 1 194 . 1 . 1 59 59 VAL CB C 13 32.86 0.1 . . . . . . . 213 VAL CB . 52421 1 195 . 1 . 1 59 59 VAL N N 15 123.73 0.1 . . . . . . . 213 VAL N . 52421 1 196 . 1 . 1 60 60 PRO CA C 13 63.04 0.1 . . . . . . . 214 PRO CA . 52421 1 197 . 1 . 1 60 60 PRO CB C 13 32.35 0.1 . . . . . . . 214 PRO CB . 52421 1 198 . 1 . 1 61 61 SER H H 1 8.46 0.01 . . . . . . . 215 SER H . 52421 1 199 . 1 . 1 61 61 SER CA C 13 56.42 0.1 . . . . . . . 215 SER CA . 52421 1 200 . 1 . 1 61 61 SER CB C 13 63.56 0.1 . . . . . . . 215 SER CB . 52421 1 201 . 1 . 1 61 61 SER N N 15 117.67 0.1 . . . . . . . 215 SER N . 52421 1 202 . 1 . 1 63 63 GLU CA C 13 56.47 0.1 . . . . . . . 217 GLU CA . 52421 1 203 . 1 . 1 63 63 GLU CB C 13 30.14 0.1 . . . . . . . 217 GLU CB . 52421 1 204 . 1 . 1 64 64 ALA H H 1 8.22 0.01 . . . . . . . 218 ALA H . 52421 1 205 . 1 . 1 64 64 ALA CA C 13 52.40 0.1 . . . . . . . 218 ALA CA . 52421 1 206 . 1 . 1 64 64 ALA CB C 13 19.30 0.1 . . . . . . . 218 ALA CB . 52421 1 207 . 1 . 1 64 64 ALA N N 15 125.46 0.1 . . . . . . . 218 ALA N . 52421 1 208 . 1 . 1 65 65 LYS H H 1 8.24 0.01 . . . . . . . 219 LYS H . 52421 1 209 . 1 . 1 65 65 LYS CA C 13 55.97 0.1 . . . . . . . 219 LYS CA . 52421 1 210 . 1 . 1 65 65 LYS CB C 13 33.09 0.1 . . . . . . . 219 LYS CB . 52421 1 211 . 1 . 1 65 65 LYS N N 15 121.80 0.1 . . . . . . . 219 LYS N . 52421 1 212 . 1 . 1 66 66 LEU H H 1 7.93 0.01 . . . . . . . 220 LEU H . 52421 1 213 . 1 . 1 66 66 LEU CA C 13 56.55 0.1 . . . . . . . 220 LEU CA . 52421 1 214 . 1 . 1 66 66 LEU CB C 13 43.46 0.1 . . . . . . . 220 LEU CB . 52421 1 215 . 1 . 1 66 66 LEU N N 15 129.99 0.1 . . . . . . . 220 LEU N . 52421 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 52421 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'Nexh5ex heteronuclear NOEs' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 20000 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '1H-15N heteronoe' . . . 52421 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 52421 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 PHE N N 15 . 1 1 2 2 PHE H H 1 -0.52 0.001 . . . 156 PHE N . 156 PHE H 52421 1 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 -1.05 0.002 . . . 157 ILE N . 157 ILE H 52421 1 3 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 -0.86 0.002 . . . 158 ALA N . 158 ALA H 52421 1 4 . 1 1 5 5 THR N N 15 . 1 1 5 5 THR H H 1 -0.56 0.002 . . . 159 THR N . 159 THR H 52421 1 5 . 1 1 6 6 ASN N N 15 . 1 1 6 6 ASN H H 1 -0.48 0.001 . . . 160 ASN N . 160 ASN H 52421 1 6 . 1 1 8 8 ALA N N 15 . 1 1 8 8 ALA H H 1 -0.56 0.002 . . . 162 ALA N . 162 ALA H 52421 1 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 -0.54 0.002 . . . 163 GLN N . 163 GLN H 52421 1 8 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 -0.49 0.002 . . . 164 SER N . 164 SER H 52421 1 9 . 1 1 13 13 THR N N 15 . 1 1 13 13 THR H H 1 -0.40 0.002 . . . 167 THR N . 167 THR H 52421 1 10 . 1 1 14 14 SER N N 15 . 1 1 14 14 SER H H 1 -0.45 0.002 . . . 168 SER N . 168 SER H 52421 1 11 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 -0.35 0.002 . . . 169 VAL N . 169 VAL H 52421 1 12 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 -0.47 0.002 . . . 170 ALA N . 170 ALA H 52421 1 13 . 1 1 18 18 VAL N N 15 . 1 1 18 18 VAL H H 1 -0.31 0.001 . . . 172 VAL N . 172 VAL H 52421 1 14 . 1 1 19 19 ALA N N 15 . 1 1 19 19 ALA H H 1 -0.36 0.001 . . . 173 ALA N . 173 ALA H 52421 1 15 . 1 1 22 22 ASP N N 15 . 1 1 22 22 ASP H H 1 -0.37 0.001 . . . 176 ASP N . 176 ASP H 52421 1 16 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 -0.31 0.001 . . . 177 LEU N . 177 LEU H 52421 1 17 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 -0.26 0.001 . . . 179 GLY N . 179 GLY H 52421 1 18 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN H H 1 -0.28 0.001 . . . 182 GLN N . 182 GLN H 52421 1 19 . 1 1 29 29 ASP N N 15 . 1 1 29 29 ASP H H 1 -0.19 0.001 . . . 183 ASP N . 183 ASP H 52421 1 20 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 -0.26 0.001 . . . 187 VAL N . 187 VAL H 52421 1 21 . 1 1 34 34 TRP N N 15 . 1 1 34 34 TRP H H 1 -0.26 0.002 . . . 188 TRP N . 188 TRP H 52421 1 22 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 -0.12 0.001 . . . 189 GLU N . 189 GLU H 52421 1 23 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 -0.19 0.001 . . . 192 LEU N . 192 LEU H 52421 1 24 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 -0.18 0.001 . . . 193 SER N . 193 SER H 52421 1 25 . 1 1 40 40 ILE N N 15 . 1 1 40 40 ILE H H 1 -0.13 0.001 . . . 194 ILE N . 194 ILE H 52421 1 26 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN H H 1 -0.36 0.002 . . . 198 GLN N . 198 GLN H 52421 1 27 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 -0.42 0.002 . . . 200 LEU N . 200 LEU H 52421 1 28 . 1 1 47 47 ASN N N 15 . 1 1 47 47 ASN H H 1 -0.25 0.001 . . . 201 ASN N . 201 ASN H 52421 1 29 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 -0.23 0.001 . . . 202 ILE N . 202 ILE H 52421 1 30 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 -0.43 0.02 . . . 204 ASN N . 204 ASN H 52421 1 31 . 1 1 51 51 ASP N N 15 . 1 1 51 51 ASP H H 1 -0.31 0.001 . . . 205 ASP N . 205 ASP H 52421 1 32 . 1 1 52 52 LYS N N 15 . 1 1 52 52 LYS H H 1 -0.26 0.001 . . . 206 LYS N . 206 LYS H 52421 1 33 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 -0.08 0.001 . . . 207 LEU N . 207 LEU H 52421 1 34 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 -0.44 0.001 . . . 208 VAL N . 208 VAL H 52421 1 35 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 -0.28 0.002 . . . 210 THR N . 210 THR H 52421 1 36 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 -0.22 0.001 . . . 213 VAL N . 213 VAL H 52421 1 37 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 -0.43 0.002 . . . 215 SER N . 215 SER H 52421 1 38 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 -0.70 0.002 . . . 218 ALA N . 218 ALA H 52421 1 39 . 1 1 65 65 LYS N N 15 . 1 1 65 65 LYS H H 1 -0.89 0.001 . . . 219 LYS N . 219 LYS H 52421 1 40 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 -1.90 0.003 . . . 220 LEU N . 220 LEU H 52421 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 52421 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'Neh5ex heteronuclear R1' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 'T1/R1 relaxation' . . . 52421 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 52421 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 PHE N N 15 1.65 0.08 . . 156 PHE N 52421 1 2 . 1 1 3 3 ILE N N 15 1.48 0.06 . . 157 ILE N 52421 1 3 . 1 1 4 4 ALA N N 15 1.78 0.10 . . 158 ALA N 52421 1 4 . 1 1 5 5 THR N N 15 1.93 0.15 . . 159 THR N 52421 1 5 . 1 1 6 6 ASN N N 15 1.70 0.09 . . 160 ASN N 52421 1 6 . 1 1 8 8 ALA N N 15 1.90 0.13 . . 162 ALA N 52421 1 7 . 1 1 9 9 GLN N N 15 1.87 0.12 . . 163 GLN N 52421 1 8 . 1 1 10 10 SER N N 15 1.90 0.14 . . 164 SER N 52421 1 9 . 1 1 13 13 THR N N 15 1.93 0.11 . . 167 THR N 52421 1 10 . 1 1 14 14 SER N N 15 2.01 0.15 . . 168 SER N 52421 1 11 . 1 1 15 15 VAL N N 15 1.57 0.05 . . 169 VAL N 52421 1 12 . 1 1 16 16 ALA N N 15 1.63 0.06 . . 170 ALA N 52421 1 13 . 1 1 18 18 VAL N N 15 1.44 0.04 . . 172 VAL N 52421 1 14 . 1 1 19 19 ALA N N 15 1.41 0.03 . . 173 ALA N 52421 1 15 . 1 1 22 22 ASP N N 15 1.63 0.04 . . 176 ASP N 52421 1 16 . 1 1 23 23 LEU N N 15 1.48 0.02 . . 177 LEU N 52421 1 17 . 1 1 25 25 GLY N N 15 1.61 0.04 . . 179 GLY N 52421 1 18 . 1 1 28 28 GLN N N 15 1.62 0.05 . . 182 GLN N 52421 1 19 . 1 1 29 29 ASP N N 15 1.65 0.05 . . 183 ASP N 52421 1 20 . 1 1 33 33 VAL N N 15 1.40 0.02 . . 187 VAL N 52421 1 21 . 1 1 34 34 TRP N N 15 1.52 0.01 . . 188 TRP N 52421 1 22 . 1 1 35 35 GLU N N 15 1.60 0.02 . . 189 GLU N 52421 1 23 . 1 1 38 38 LEU N N 15 1.50 0.01 . . 192 LEU N 52421 1 24 . 1 1 39 39 SER N N 15 1.76 0.08 . . 193 SER N 52421 1 25 . 1 1 40 40 ILE N N 15 1.44 0.02 . . 194 ILE N 52421 1 26 . 1 1 44 44 GLN N N 15 1.68 0.05 . . 198 GLN N 52421 1 27 . 1 1 46 46 LEU N N 15 1.69 0.07 . . 200 LEU N 52421 1 28 . 1 1 47 47 ASN N N 15 1.89 0.10 . . 201 ASN N 52421 1 29 . 1 1 48 48 ILE N N 15 1.50 0.04 . . 202 ILE N 52421 1 30 . 1 1 50 50 ASN N N 15 2.11 0.25 . . 204 ASN N 52421 1 31 . 1 1 51 51 ASP N N 15 1.80 0.08 . . 205 ASP N 52421 1 32 . 1 1 52 52 LYS N N 15 1.49 0.02 . . 206 LYS N 52421 1 33 . 1 1 53 53 LEU N N 15 1.58 0.02 . . 207 LEU N 52421 1 34 . 1 1 54 54 VAL N N 15 1.42 0.01 . . 208 VAL N 52421 1 35 . 1 1 56 56 THR N N 15 1.90 0.10 . . 210 THR N 52421 1 36 . 1 1 59 59 VAL N N 15 1.45 0.02 . . 213 VAL N 52421 1 37 . 1 1 61 61 SER N N 15 1.66 0.08 . . 215 SER N 52421 1 38 . 1 1 64 64 ALA N N 15 1.49 0.07 . . 218 ALA N 52421 1 39 . 1 1 65 65 LYS N N 15 1.38 0.04 . . 219 LYS N 52421 1 40 . 1 1 66 66 LEU N N 15 0.77 0.01 . . 220 LEU N 52421 1 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Entry_ID 52421 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name 'Neh5ex heteronuclear R1rho' _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 600 _Heteronucl_T1rho_list.Temp_calibration_method na _Heteronucl_T1rho_list.Temp_control_method na _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 5 'T1rho/R1rho relaxation' . . . 52421 1 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 1 $software_1 . . 52421 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 2 2 PHE N N 15 2.82 0.11 . . . . 156 PHE N 52421 1 2 . 1 1 3 3 ILE N N 15 2.29 0.10 . . . . 157 ILE N 52421 1 3 . 1 1 4 4 ALA N N 15 2.91 0.13 . . . . 158 ALA N 52421 1 4 . 1 1 5 5 THR N N 15 3.21 0.18 . . . . 159 THR N 52421 1 5 . 1 1 6 6 ASN N N 15 2.91 0.13 . . . . 160 ASN N 52421 1 6 . 1 1 8 8 ALA N N 15 3.02 0.16 . . . . 162 ALA N 52421 1 7 . 1 1 9 9 GLN N N 15 3.16 0.16 . . . . 163 GLN N 52421 1 8 . 1 1 10 10 SER N N 15 3.39 0.17 . . . . 164 SER N 52421 1 9 . 1 1 13 13 THR N N 15 3.24 0.15 . . . . 167 THR N 52421 1 10 . 1 1 14 14 SER N N 15 3.62 0.18 . . . . 168 SER N 52421 1 11 . 1 1 15 15 VAL N N 15 2.76 0.09 . . . . 169 VAL N 52421 1 12 . 1 1 16 16 ALA N N 15 2.70 0.09 . . . . 170 ALA N 52421 1 13 . 1 1 18 18 VAL N N 15 2.50 0.07 . . . . 172 VAL N 52421 1 14 . 1 1 19 19 ALA N N 15 2.73 0.05 . . . . 173 ALA N 52421 1 15 . 1 1 22 22 ASP N N 15 2.77 0.08 . . . . 176 ASP N 52421 1 16 . 1 1 23 23 LEU N N 15 2.41 0.04 . . . . 177 LEU N 52421 1 17 . 1 1 25 25 GLY N N 15 2.75 0.07 . . . . 179 GLY N 52421 1 18 . 1 1 28 28 GLN N N 15 2.79 0.10 . . . . 182 GLN N 52421 1 19 . 1 1 29 29 ASP N N 15 2.88 0.08 . . . . 183 ASP N 52421 1 20 . 1 1 33 33 VAL N N 15 2.88 0.03 . . . . 187 VAL N 52421 1 21 . 1 1 34 34 TRP N N 15 3.11 0.03 . . . . 188 TRP N 52421 1 22 . 1 1 35 35 GLU N N 15 3.09 0.03 . . . . 189 GLU N 52421 1 23 . 1 1 38 38 LEU N N 15 2.75 0.05 . . . . 192 LEU N 52421 1 24 . 1 1 39 39 SER N N 15 3.31 0.12 . . . . 193 SER N 52421 1 25 . 1 1 40 40 ILE N N 15 2.88 0.05 . . . . 194 ILE N 52421 1 26 . 1 1 44 44 GLN N N 15 3.24 0.10 . . . . 198 GLN N 52421 1 27 . 1 1 46 46 LEU N N 15 3.06 0.10 . . . . 200 LEU N 52421 1 28 . 1 1 47 47 ASN N N 15 3.44 0.14 . . . . 201 ASN N 52421 1 29 . 1 1 48 48 ILE N N 15 2.79 0.07 . . . . 202 ILE N 52421 1 30 . 1 1 50 50 ASN N N 15 3.02 0.41 . . . . 204 ASN N 52421 1 31 . 1 1 51 51 ASP N N 15 3.16 0.11 . . . . 205 ASP N 52421 1 32 . 1 1 52 52 LYS N N 15 2.73 0.05 . . . . 206 LYS N 52421 1 33 . 1 1 53 53 LEU N N 15 3.26 0.04 . . . . 207 LEU N 52421 1 34 . 1 1 54 54 VAL N N 15 2.46 0.06 . . . . 208 VAL N 52421 1 35 . 1 1 56 56 THR N N 15 3.33 0.14 . . . . 210 THR N 52421 1 36 . 1 1 59 59 VAL N N 15 2.42 0.06 . . . . 213 VAL N 52421 1 37 . 1 1 61 61 SER N N 15 2.78 0.13 . . . . 215 SER N 52421 1 38 . 1 1 64 64 ALA N N 15 2.25 0.11 . . . . 218 ALA N 52421 1 39 . 1 1 65 65 LYS N N 15 2.62 0.08 . . . . 219 LYS N 52421 1 40 . 1 1 66 66 LEU N N 15 1.23 0.03 . . . . 220 LEU N 52421 1 stop_ save_