data_27993 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27993 _Entry.Title ; MYB29 residues 118-178 chemical shifts ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-02 _Entry.Accession_date 2019-08-02 _Entry.Last_release_date 2019-08-02 _Entry.Original_release_date 2019-08-02 _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 'Chemical shifts of MYB29 residues 118-178' _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 Peter Millard . S. . . 27993 2 Riccardo Marabini . . . . 27993 3 Birthe Kragelund . B. . . 27993 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'DynaMo Center, Dept. of Plant and Environmental Sciences, University of Copenhagen, Denmark' . 27993 2 . 'Copenhagen Plant Science Centre, Dept. of Plant and Environmental Sciences, University of Copenhagen, Denmark' . 27993 3 . 'Structural Biology and NMR Laboratory, Dept. of Biology, University of Copenhagen, Denmark' . 27993 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27993 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 151 27993 '15N chemical shifts' 45 27993 '1H chemical shifts' 45 27993 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 . . 2020-02-05 2019-08-02 update BMRB 'update entry citation' 27993 1 . . 2019-10-29 2019-08-02 original author 'original release' 27993 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27992 'MYB28 residues 116-197' 27993 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27993 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31642121 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; IDDomainSpotter: Compositional bias reveals domains in long disordered protein regions - insights from transcription factors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 1 _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 169 _Citation.Page_last 183 _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 Peter Millard . S. . . 27993 1 2 Katrine Bugge . . . . 27993 1 3 Riccardo Marabini . . . . 27993 1 4 Wouter Boomsma . K. . . 27993 1 5 Meike Burow . . . . 27993 1 6 Birthe Kragelund . B. . . 27993 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA-binding domain' 27993 1 IDDomainSpotter 27993 1 IDPs 27993 1 NMR 27993 1 'compositional bias' 27993 1 domain 27993 1 'low-complexity regions' 27993 1 p53 27993 1 'plant MYB protein' 27993 1 'transactivation domain' 27993 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27993 _Assembly.ID 1 _Assembly.Name 'MYB29 residues 118-178' _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 'MYB29 residues 118-178' 1 $MYB29_residues_118-178 A . yes 'intrinsically disordered' no no . . . 27993 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MYB29_residues_118-178 _Entity.Sf_category entity _Entity.Sf_framecode MYB29_residues_118-178 _Entity.Entry_ID 27993 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MYB29_residues_118-178 _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 ; GSGIDPVTHKPLAYDSNPDE QSQSGSISPKSLPPSSSKNV PEITSSDETPKYDASLSSKK R ; _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 61 _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 1 118 GLY . 27993 1 2 119 SER . 27993 1 3 120 GLY . 27993 1 4 121 ILE . 27993 1 5 122 ASP . 27993 1 6 123 PRO . 27993 1 7 124 VAL . 27993 1 8 125 THR . 27993 1 9 126 HIS . 27993 1 10 127 LYS . 27993 1 11 128 PRO . 27993 1 12 129 LEU . 27993 1 13 130 ALA . 27993 1 14 131 TYR . 27993 1 15 132 ASP . 27993 1 16 133 SER . 27993 1 17 134 ASN . 27993 1 18 135 PRO . 27993 1 19 136 ASP . 27993 1 20 137 GLU . 27993 1 21 138 GLN . 27993 1 22 139 SER . 27993 1 23 140 GLN . 27993 1 24 141 SER . 27993 1 25 142 GLY . 27993 1 26 143 SER . 27993 1 27 144 ILE . 27993 1 28 145 SER . 27993 1 29 146 PRO . 27993 1 30 147 LYS . 27993 1 31 148 SER . 27993 1 32 149 LEU . 27993 1 33 150 PRO . 27993 1 34 151 PRO . 27993 1 35 152 SER . 27993 1 36 153 SER . 27993 1 37 154 SER . 27993 1 38 155 LYS . 27993 1 39 156 ASN . 27993 1 40 157 VAL . 27993 1 41 158 PRO . 27993 1 42 159 GLU . 27993 1 43 160 ILE . 27993 1 44 161 THR . 27993 1 45 162 SER . 27993 1 46 163 SER . 27993 1 47 164 ASP . 27993 1 48 165 GLU . 27993 1 49 166 THR . 27993 1 50 167 PRO . 27993 1 51 168 LYS . 27993 1 52 169 TYR . 27993 1 53 170 ASP . 27993 1 54 171 ALA . 27993 1 55 172 SER . 27993 1 56 173 LEU . 27993 1 57 174 SER . 27993 1 58 175 SER . 27993 1 59 176 LYS . 27993 1 60 177 LYS . 27993 1 61 178 ARG . 27993 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 27993 1 . SER 2 2 27993 1 . GLY 3 3 27993 1 . ILE 4 4 27993 1 . ASP 5 5 27993 1 . PRO 6 6 27993 1 . VAL 7 7 27993 1 . THR 8 8 27993 1 . HIS 9 9 27993 1 . LYS 10 10 27993 1 . PRO 11 11 27993 1 . LEU 12 12 27993 1 . ALA 13 13 27993 1 . TYR 14 14 27993 1 . ASP 15 15 27993 1 . SER 16 16 27993 1 . ASN 17 17 27993 1 . PRO 18 18 27993 1 . ASP 19 19 27993 1 . GLU 20 20 27993 1 . GLN 21 21 27993 1 . SER 22 22 27993 1 . GLN 23 23 27993 1 . SER 24 24 27993 1 . GLY 25 25 27993 1 . SER 26 26 27993 1 . ILE 27 27 27993 1 . SER 28 28 27993 1 . PRO 29 29 27993 1 . LYS 30 30 27993 1 . SER 31 31 27993 1 . LEU 32 32 27993 1 . PRO 33 33 27993 1 . PRO 34 34 27993 1 . SER 35 35 27993 1 . SER 36 36 27993 1 . SER 37 37 27993 1 . LYS 38 38 27993 1 . ASN 39 39 27993 1 . VAL 40 40 27993 1 . PRO 41 41 27993 1 . GLU 42 42 27993 1 . ILE 43 43 27993 1 . THR 44 44 27993 1 . SER 45 45 27993 1 . SER 46 46 27993 1 . ASP 47 47 27993 1 . GLU 48 48 27993 1 . THR 49 49 27993 1 . PRO 50 50 27993 1 . LYS 51 51 27993 1 . TYR 52 52 27993 1 . ASP 53 53 27993 1 . ALA 54 54 27993 1 . SER 55 55 27993 1 . LEU 56 56 27993 1 . SER 57 57 27993 1 . SER 58 58 27993 1 . LYS 59 59 27993 1 . LYS 60 60 27993 1 . ARG 61 61 27993 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 27993 _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 $MYB29_residues_118-178 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . AT5G07690 . 27993 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 27993 _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 $MYB29_residues_118-178 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T-1 . . . 27993 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27993 _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 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 27993 1 2 TCEP 'natural abundance' . . . . . . 100 . . uM . . . . 27993 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . '% v/v' . . . . 27993 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27993 1 5 'MYB29 residues 118-178' '[U-13C; U-15N]' . . 1 $MYB29_residues_118-178 . . 225 . . uM . . . . 27993 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 27993 _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 pH 7.0 . pH 27993 1 pressure 1 . atm 27993 1 temperature 273 . K 27993 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27993 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27993 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27993 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27993 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27993 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27993 2 stop_ save_ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 27993 _Software.ID 3 _Software.Type . _Software.Name CcpNmr _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27993 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27993 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27993 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27993 _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 III' . 800 . . . 27993 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 27993 _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 . . . . . . . . . . . . . . . . 27993 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27993 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27993 1 4 '3D HNCB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27993 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27993 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27993 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27993 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 27993 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27993 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27993 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27993 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 27993 _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' . . . 27993 1 2 '3D HNCA' . . . 27993 1 3 '3D HN(CA)CO' . . . 27993 1 4 '3D HNCB' . . . 27993 1 5 '3D HNCO' . . . 27993 1 6 '3D HN(CO)CA' . . . 27993 1 7 '3D HN(CO)CACB' . . . 27993 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 3 3 GLY H H 1 8.760 0.000 . 1 . . . . . 120 Gly H . 27993 1 2 . 1 . 1 3 3 GLY C C 13 172.649 0.000 . 1 . . . . . 120 Gly C . 27993 1 3 . 1 . 1 3 3 GLY CA C 13 45.223 0.000 . 1 . . . . . 120 Gly CA . 27993 1 4 . 1 . 1 3 3 GLY N N 15 111.287 0.007 . 1 . . . . . 120 Gly N . 27993 1 5 . 1 . 1 4 4 ILE H H 1 8.200 0.001 . 1 . . . . . 121 Ile H . 27993 1 6 . 1 . 1 4 4 ILE C C 13 174.991 0.000 . 1 . . . . . 121 Ile C . 27993 1 7 . 1 . 1 4 4 ILE CA C 13 59.848 0.000 . 1 . . . . . 121 Ile CA . 27993 1 8 . 1 . 1 4 4 ILE CB C 13 39.392 0.000 . 1 . . . . . 121 Ile CB . 27993 1 9 . 1 . 1 4 4 ILE N N 15 120.041 0.008 . 1 . . . . . 121 Ile N . 27993 1 10 . 1 . 1 5 5 ASP H H 1 8.704 0.001 . 1 . . . . . 122 Asp H . 27993 1 11 . 1 . 1 5 5 ASP C C 13 174.022 0.000 . 1 . . . . . 122 Asp C . 27993 1 12 . 1 . 1 5 5 ASP CA C 13 52.422 0.000 . 1 . . . . . 122 Asp CA . 27993 1 13 . 1 . 1 5 5 ASP CB C 13 41.716 0.000 . 1 . . . . . 122 Asp CB . 27993 1 14 . 1 . 1 5 5 ASP N N 15 128.572 0.019 . 1 . . . . . 122 Asp N . 27993 1 15 . 1 . 1 11 11 PRO C C 13 175.988 0.000 . 1 . . . . . 128 Pro C . 27993 1 16 . 1 . 1 11 11 PRO CA C 13 63.015 0.000 . 1 . . . . . 128 Pro CA . 27993 1 17 . 1 . 1 11 11 PRO CB C 13 32.096 0.000 . 1 . . . . . 128 Pro CB . 27993 1 18 . 1 . 1 12 12 LEU H H 1 8.387 0.001 . 1 . . . . . 129 Leu H . 27993 1 19 . 1 . 1 12 12 LEU C C 13 175.997 0.000 . 1 . . . . . 129 Leu C . 27993 1 20 . 1 . 1 12 12 LEU CA C 13 55.117 0.000 . 1 . . . . . 129 Leu CA . 27993 1 21 . 1 . 1 12 12 LEU CB C 13 42.394 0.000 . 1 . . . . . 129 Leu CB . 27993 1 22 . 1 . 1 12 12 LEU N N 15 123.714 0.009 . 1 . . . . . 129 Leu N . 27993 1 23 . 1 . 1 13 13 ALA H H 1 8.411 0.001 . 1 . . . . . 130 Ala H . 27993 1 24 . 1 . 1 13 13 ALA C C 13 176.191 0.000 . 1 . . . . . 130 Ala C . 27993 1 25 . 1 . 1 13 13 ALA CA C 13 52.084 0.000 . 1 . . . . . 130 Ala CA . 27993 1 26 . 1 . 1 13 13 ALA CB C 13 19.510 0.000 . 1 . . . . . 130 Ala CB . 27993 1 27 . 1 . 1 13 13 ALA N N 15 124.780 0.008 . 1 . . . . . 130 Ala N . 27993 1 28 . 1 . 1 14 14 TYR H H 1 8.247 0.001 . 1 . . . . . 131 Tyr H . 27993 1 29 . 1 . 1 14 14 TYR C C 13 174.385 0.000 . 1 . . . . . 131 Tyr C . 27993 1 30 . 1 . 1 14 14 TYR CA C 13 57.757 0.000 . 1 . . . . . 131 Tyr CA . 27993 1 31 . 1 . 1 14 14 TYR CB C 13 38.900 0.000 . 1 . . . . . 131 Tyr CB . 27993 1 32 . 1 . 1 14 14 TYR N N 15 119.794 0.007 . 1 . . . . . 131 Tyr N . 27993 1 33 . 1 . 1 15 15 ASP H H 1 8.394 0.001 . 1 . . . . . 132 Asp H . 27993 1 34 . 1 . 1 15 15 ASP C C 13 174.827 0.000 . 1 . . . . . 132 Asp C . 27993 1 35 . 1 . 1 15 15 ASP CA C 13 53.917 0.000 . 1 . . . . . 132 Asp CA . 27993 1 36 . 1 . 1 15 15 ASP CB C 13 41.152 0.000 . 1 . . . . . 132 Asp CB . 27993 1 37 . 1 . 1 15 15 ASP N N 15 122.395 0.026 . 1 . . . . . 132 Asp N . 27993 1 38 . 1 . 1 16 16 SER H H 1 8.200 0.001 . 1 . . . . . 133 Ser H . 27993 1 39 . 1 . 1 16 16 SER C C 13 172.937 0.000 . 1 . . . . . 133 Ser C . 27993 1 40 . 1 . 1 16 16 SER CA C 13 58.339 0.000 . 1 . . . . . 133 Ser CA . 27993 1 41 . 1 . 1 16 16 SER CB C 13 63.811 0.000 . 1 . . . . . 133 Ser CB . 27993 1 42 . 1 . 1 16 16 SER N N 15 116.330 0.009 . 1 . . . . . 133 Ser N . 27993 1 43 . 1 . 1 17 17 ASN H H 1 8.670 0.001 . 1 . . . . . 134 Asn H . 27993 1 44 . 1 . 1 17 17 ASN C C 13 172.665 0.000 . 1 . . . . . 134 Asn C . 27993 1 45 . 1 . 1 17 17 ASN CA C 13 51.400 0.000 . 1 . . . . . 134 Asn CA . 27993 1 46 . 1 . 1 17 17 ASN CB C 13 38.836 0.000 . 1 . . . . . 134 Asn CB . 27993 1 47 . 1 . 1 17 17 ASN N N 15 121.838 0.009 . 1 . . . . . 134 Asn N . 27993 1 48 . 1 . 1 18 18 PRO C C 13 176.038 0.000 . 1 . . . . . 135 Pro C . 27993 1 49 . 1 . 1 18 18 PRO CA C 13 63.791 0.000 . 1 . . . . . 135 Pro CA . 27993 1 50 . 1 . 1 18 18 PRO CB C 13 32.107 0.000 . 1 . . . . . 135 Pro CB . 27993 1 51 . 1 . 1 19 19 ASP H H 1 8.396 0.001 . 1 . . . . . 136 Asp H . 27993 1 52 . 1 . 1 19 19 ASP C C 13 175.660 0.000 . 1 . . . . . 136 Asp C . 27993 1 53 . 1 . 1 19 19 ASP CA C 13 54.621 0.000 . 1 . . . . . 136 Asp CA . 27993 1 54 . 1 . 1 19 19 ASP CB C 13 40.895 0.000 . 1 . . . . . 136 Asp CB . 27993 1 55 . 1 . 1 19 19 ASP N N 15 119.623 0.009 . 1 . . . . . 136 Asp N . 27993 1 56 . 1 . 1 20 20 GLU H H 1 8.238 0.001 . 1 . . . . . 137 Glu H . 27993 1 57 . 1 . 1 20 20 GLU C C 13 175.958 0.000 . 1 . . . . . 137 Glu C . 27993 1 58 . 1 . 1 20 20 GLU CA C 13 57.011 0.000 . 1 . . . . . 137 Glu CA . 27993 1 59 . 1 . 1 20 20 GLU CB C 13 30.171 0.000 . 1 . . . . . 137 Glu CB . 27993 1 60 . 1 . 1 20 20 GLU N N 15 121.429 0.007 . 1 . . . . . 137 Glu N . 27993 1 61 . 1 . 1 21 21 GLN H H 1 8.469 0.001 . 1 . . . . . 138 Gln H . 27993 1 62 . 1 . 1 21 21 GLN C C 13 175.570 0.000 . 1 . . . . . 138 Gln C . 27993 1 63 . 1 . 1 21 21 GLN CA C 13 56.139 0.000 . 1 . . . . . 138 Gln CA . 27993 1 64 . 1 . 1 21 21 GLN CB C 13 29.137 0.000 . 1 . . . . . 138 Gln CB . 27993 1 65 . 1 . 1 21 21 GLN N N 15 120.824 0.008 . 1 . . . . . 138 Gln N . 27993 1 66 . 1 . 1 22 22 SER H H 1 8.438 0.000 . 1 . . . . . 139 Ser H . 27993 1 67 . 1 . 1 22 22 SER C C 13 174.057 0.000 . 1 . . . . . 139 Ser C . 27993 1 68 . 1 . 1 22 22 SER CA C 13 58.802 0.000 . 1 . . . . . 139 Ser CA . 27993 1 69 . 1 . 1 22 22 SER CB C 13 63.609 0.000 . 1 . . . . . 139 Ser CB . 27993 1 70 . 1 . 1 22 22 SER N N 15 116.956 0.009 . 1 . . . . . 139 Ser N . 27993 1 71 . 1 . 1 23 23 GLN H H 1 8.571 0.001 . 1 . . . . . 140 Gln H . 27993 1 72 . 1 . 1 23 23 GLN C C 13 175.427 0.000 . 1 . . . . . 140 Gln C . 27993 1 73 . 1 . 1 23 23 GLN CA C 13 55.938 0.000 . 1 . . . . . 140 Gln CA . 27993 1 74 . 1 . 1 23 23 GLN CB C 13 29.185 0.000 . 1 . . . . . 140 Gln CB . 27993 1 75 . 1 . 1 23 23 GLN N N 15 122.357 0.008 . 1 . . . . . 140 Gln N . 27993 1 76 . 1 . 1 24 24 SER H H 1 8.487 0.001 . 1 . . . . . 141 Ser H . 27993 1 77 . 1 . 1 24 24 SER C C 13 174.291 0.000 . 1 . . . . . 141 Ser C . 27993 1 78 . 1 . 1 24 24 SER CA C 13 58.841 0.000 . 1 . . . . . 141 Ser CA . 27993 1 79 . 1 . 1 24 24 SER CB C 13 63.679 0.000 . 1 . . . . . 141 Ser CB . 27993 1 80 . 1 . 1 24 24 SER N N 15 117.002 0.012 . 1 . . . . . 141 Ser N . 27993 1 81 . 1 . 1 25 25 GLY H H 1 8.564 0.000 . 1 . . . . . 142 Gly H . 27993 1 82 . 1 . 1 25 25 GLY C C 13 173.183 0.000 . 1 . . . . . 142 Gly C . 27993 1 83 . 1 . 1 25 25 GLY CA C 13 45.292 0.000 . 1 . . . . . 142 Gly CA . 27993 1 84 . 1 . 1 25 25 GLY N N 15 111.338 0.006 . 1 . . . . . 142 Gly N . 27993 1 85 . 1 . 1 26 26 SER H H 1 8.279 0.000 . 1 . . . . . 143 Ser H . 27993 1 86 . 1 . 1 26 26 SER C C 13 173.476 0.000 . 1 . . . . . 143 Ser C . 27993 1 87 . 1 . 1 26 26 SER CA C 13 58.269 0.000 . 1 . . . . . 143 Ser CA . 27993 1 88 . 1 . 1 26 26 SER CB C 13 63.837 0.000 . 1 . . . . . 143 Ser CB . 27993 1 89 . 1 . 1 26 26 SER N N 15 115.863 0.013 . 1 . . . . . 143 Ser N . 27993 1 90 . 1 . 1 27 27 ILE H H 1 8.371 0.001 . 1 . . . . . 144 Ile H . 27993 1 91 . 1 . 1 27 27 ILE C C 13 175.359 0.000 . 1 . . . . . 144 Ile C . 27993 1 92 . 1 . 1 27 27 ILE CA C 13 60.873 0.000 . 1 . . . . . 144 Ile CA . 27993 1 93 . 1 . 1 27 27 ILE CB C 13 38.770 0.000 . 1 . . . . . 144 Ile CB . 27993 1 94 . 1 . 1 27 27 ILE N N 15 122.907 0.013 . 1 . . . . . 144 Ile N . 27993 1 95 . 1 . 1 28 28 SER H H 1 8.606 0.001 . 1 . . . . . 145 Ser H . 27993 1 96 . 1 . 1 28 28 SER C C 13 171.496 0.000 . 1 . . . . . 145 Ser C . 27993 1 97 . 1 . 1 28 28 SER CA C 13 56.496 0.000 . 1 . . . . . 145 Ser CA . 27993 1 98 . 1 . 1 28 28 SER CB C 13 63.096 0.000 . 1 . . . . . 145 Ser CB . 27993 1 99 . 1 . 1 28 28 SER N N 15 122.581 0.012 . 1 . . . . . 145 Ser N . 27993 1 100 . 1 . 1 31 31 SER C C 13 178.710 0.000 . 1 . . . . . 148 Ser C . 27993 1 101 . 1 . 1 31 31 SER CA C 13 57.436 0.000 . 1 . . . . . 148 Ser CA . 27993 1 102 . 1 . 1 31 31 SER CB C 13 63.670 0.000 . 1 . . . . . 148 Ser CB . 27993 1 103 . 1 . 1 32 32 LEU H H 1 8.764 0.002 . 1 . . . . . 149 Leu H . 27993 1 104 . 1 . 1 32 32 LEU C C 13 173.880 0.000 . 1 . . . . . 149 Leu C . 27993 1 105 . 1 . 1 32 32 LEU CA C 13 53.242 0.000 . 1 . . . . . 149 Leu CA . 27993 1 106 . 1 . 1 32 32 LEU CB C 13 41.506 0.000 . 1 . . . . . 149 Leu CB . 27993 1 107 . 1 . 1 32 32 LEU N N 15 124.230 0.017 . 1 . . . . . 149 Leu N . 27993 1 108 . 1 . 1 34 34 PRO C C 13 176.173 0.000 . 1 . . . . . 151 Pro C . 27993 1 109 . 1 . 1 34 34 PRO CA C 13 62.983 0.000 . 1 . . . . . 151 Pro CA . 27993 1 110 . 1 . 1 34 34 PRO CB C 13 32.060 0.000 . 1 . . . . . 151 Pro CB . 27993 1 111 . 1 . 1 35 35 SER H H 1 8.640 0.001 . 1 . . . . . 152 Ser H . 27993 1 112 . 1 . 1 35 35 SER C C 13 173.924 0.000 . 1 . . . . . 152 Ser C . 27993 1 113 . 1 . 1 35 35 SER CA C 13 58.432 0.000 . 1 . . . . . 152 Ser CA . 27993 1 114 . 1 . 1 35 35 SER CB C 13 63.707 0.000 . 1 . . . . . 152 Ser CB . 27993 1 115 . 1 . 1 35 35 SER N N 15 116.503 0.008 . 1 . . . . . 152 Ser N . 27993 1 116 . 1 . 1 36 36 SER H H 1 8.570 0.001 . 1 . . . . . 153 Ser H . 27993 1 117 . 1 . 1 36 36 SER C C 13 173.754 0.000 . 1 . . . . . 153 Ser C . 27993 1 118 . 1 . 1 36 36 SER CA C 13 58.384 0.000 . 1 . . . . . 153 Ser CA . 27993 1 119 . 1 . 1 36 36 SER CB C 13 63.817 0.000 . 1 . . . . . 153 Ser CB . 27993 1 120 . 1 . 1 36 36 SER N N 15 118.268 0.009 . 1 . . . . . 153 Ser N . 27993 1 121 . 1 . 1 37 37 SER H H 1 8.525 0.001 . 1 . . . . . 154 Ser H . 27993 1 122 . 1 . 1 37 37 SER C C 13 173.529 0.000 . 1 . . . . . 154 Ser C . 27993 1 123 . 1 . 1 37 37 SER CA C 13 58.503 0.000 . 1 . . . . . 154 Ser CA . 27993 1 124 . 1 . 1 37 37 SER CB C 13 63.746 0.000 . 1 . . . . . 154 Ser CB . 27993 1 125 . 1 . 1 37 37 SER N N 15 118.419 0.010 . 1 . . . . . 154 Ser N . 27993 1 126 . 1 . 1 38 38 LYS H H 1 8.441 0.001 . 1 . . . . . 155 Lys H . 27993 1 127 . 1 . 1 38 38 LYS C C 13 175.266 0.000 . 1 . . . . . 155 Lys C . 27993 1 128 . 1 . 1 38 38 LYS CA C 13 56.225 0.000 . 1 . . . . . 155 Lys CA . 27993 1 129 . 1 . 1 38 38 LYS CB C 13 32.938 0.000 . 1 . . . . . 155 Lys CB . 27993 1 130 . 1 . 1 38 38 LYS N N 15 123.127 0.015 . 1 . . . . . 155 Lys N . 27993 1 131 . 1 . 1 39 39 ASN H H 1 8.523 0.000 . 1 . . . . . 156 Asn H . 27993 1 132 . 1 . 1 39 39 ASN C C 13 173.776 0.000 . 1 . . . . . 156 Asn C . 27993 1 133 . 1 . 1 39 39 ASN CA C 13 53.290 0.000 . 1 . . . . . 156 Asn CA . 27993 1 134 . 1 . 1 39 39 ASN CB C 13 38.841 0.000 . 1 . . . . . 156 Asn CB . 27993 1 135 . 1 . 1 39 39 ASN N N 15 120.099 0.008 . 1 . . . . . 156 Asn N . 27993 1 136 . 1 . 1 40 40 VAL H H 1 8.270 0.001 . 1 . . . . . 157 Val H . 27993 1 137 . 1 . 1 40 40 VAL C C 13 173.332 0.000 . 1 . . . . . 157 Val C . 27993 1 138 . 1 . 1 40 40 VAL CA C 13 59.908 0.000 . 1 . . . . . 157 Val CA . 27993 1 139 . 1 . 1 40 40 VAL CB C 13 32.557 0.000 . 1 . . . . . 157 Val CB . 27993 1 140 . 1 . 1 40 40 VAL N N 15 122.430 0.010 . 1 . . . . . 157 Val N . 27993 1 141 . 1 . 1 41 41 PRO C C 13 175.775 0.000 . 1 . . . . . 158 Pro C . 27993 1 142 . 1 . 1 41 41 PRO CA C 13 63.143 0.000 . 1 . . . . . 158 Pro CA . 27993 1 143 . 1 . 1 41 41 PRO CB C 13 32.210 0.000 . 1 . . . . . 158 Pro CB . 27993 1 144 . 1 . 1 42 42 GLU H H 1 8.645 0.001 . 1 . . . . . 159 Glu H . 27993 1 145 . 1 . 1 42 42 GLU C C 13 175.561 0.000 . 1 . . . . . 159 Glu C . 27993 1 146 . 1 . 1 42 42 GLU CA C 13 56.434 0.000 . 1 . . . . . 159 Glu CA . 27993 1 147 . 1 . 1 42 42 GLU CB C 13 30.384 0.000 . 1 . . . . . 159 Glu CB . 27993 1 148 . 1 . 1 42 42 GLU N N 15 121.962 0.010 . 1 . . . . . 159 Glu N . 27993 1 149 . 1 . 1 43 43 ILE H H 1 8.504 0.001 . 1 . . . . . 160 Ile H . 27993 1 150 . 1 . 1 43 43 ILE C C 13 175.550 0.000 . 1 . . . . . 160 Ile C . 27993 1 151 . 1 . 1 43 43 ILE CA C 13 61.012 0.000 . 1 . . . . . 160 Ile CA . 27993 1 152 . 1 . 1 43 43 ILE CB C 13 38.673 0.000 . 1 . . . . . 160 Ile CB . 27993 1 153 . 1 . 1 43 43 ILE N N 15 123.493 0.008 . 1 . . . . . 160 Ile N . 27993 1 154 . 1 . 1 44 44 THR H H 1 8.506 0.000 . 1 . . . . . 161 Thr H . 27993 1 155 . 1 . 1 44 44 THR C C 13 173.488 0.000 . 1 . . . . . 161 Thr C . 27993 1 156 . 1 . 1 44 44 THR CA C 13 61.570 0.000 . 1 . . . . . 161 Thr CA . 27993 1 157 . 1 . 1 44 44 THR CB C 13 70.053 0.000 . 1 . . . . . 161 Thr CB . 27993 1 158 . 1 . 1 44 44 THR N N 15 119.711 0.012 . 1 . . . . . 161 Thr N . 27993 1 159 . 1 . 1 45 45 SER H H 1 8.591 0.001 . 1 . . . . . 162 Ser H . 27993 1 160 . 1 . 1 45 45 SER C C 13 173.712 0.000 . 1 . . . . . 162 Ser C . 27993 1 161 . 1 . 1 45 45 SER CA C 13 58.208 0.000 . 1 . . . . . 162 Ser CA . 27993 1 162 . 1 . 1 45 45 SER CB C 13 63.912 0.000 . 1 . . . . . 162 Ser CB . 27993 1 163 . 1 . 1 45 45 SER N N 15 118.924 0.008 . 1 . . . . . 162 Ser N . 27993 1 164 . 1 . 1 46 46 SER H H 1 8.632 0.001 . 1 . . . . . 163 Ser H . 27993 1 165 . 1 . 1 46 46 SER C C 13 173.357 0.000 . 1 . . . . . 163 Ser C . 27993 1 166 . 1 . 1 46 46 SER CA C 13 58.371 0.000 . 1 . . . . . 163 Ser CA . 27993 1 167 . 1 . 1 46 46 SER CB C 13 63.815 0.000 . 1 . . . . . 163 Ser CB . 27993 1 168 . 1 . 1 46 46 SER N N 15 118.534 0.010 . 1 . . . . . 163 Ser N . 27993 1 169 . 1 . 1 47 47 ASP H H 1 8.464 0.000 . 1 . . . . . 164 Asp H . 27993 1 170 . 1 . 1 47 47 ASP C C 13 175.252 0.000 . 1 . . . . . 164 Asp C . 27993 1 171 . 1 . 1 47 47 ASP CA C 13 54.507 0.000 . 1 . . . . . 164 Asp CA . 27993 1 172 . 1 . 1 47 47 ASP CB C 13 41.053 0.000 . 1 . . . . . 164 Asp CB . 27993 1 173 . 1 . 1 47 47 ASP N N 15 122.579 0.011 . 1 . . . . . 164 Asp N . 27993 1 174 . 1 . 1 48 48 GLU H H 1 8.436 0.001 . 1 . . . . . 165 Glu H . 27993 1 175 . 1 . 1 48 48 GLU C C 13 175.570 0.000 . 1 . . . . . 165 Glu C . 27993 1 176 . 1 . 1 48 48 GLU CA C 13 56.282 0.000 . 1 . . . . . 165 Glu CA . 27993 1 177 . 1 . 1 48 48 GLU CB C 13 30.320 0.000 . 1 . . . . . 165 Glu CB . 27993 1 178 . 1 . 1 48 48 GLU N N 15 121.433 0.010 . 1 . . . . . 165 Glu N . 27993 1 179 . 1 . 1 49 49 THR H H 1 8.395 0.001 . 1 . . . . . 166 Thr H . 27993 1 180 . 1 . 1 49 49 THR C C 13 171.784 0.000 . 1 . . . . . 166 Thr C . 27993 1 181 . 1 . 1 49 49 THR CA C 13 60.546 0.000 . 1 . . . . . 166 Thr CA . 27993 1 182 . 1 . 1 49 49 THR CB C 13 69.560 0.000 . 1 . . . . . 166 Thr CB . 27993 1 183 . 1 . 1 49 49 THR N N 15 119.342 0.009 . 1 . . . . . 166 Thr N . 27993 1 184 . 1 . 1 50 50 PRO C C 13 175.717 0.000 . 1 . . . . . 167 Pro C . 27993 1 185 . 1 . 1 50 50 PRO CA C 13 63.171 0.000 . 1 . . . . . 167 Pro CA . 27993 1 186 . 1 . 1 50 50 PRO CB C 13 32.183 0.000 . 1 . . . . . 167 Pro CB . 27993 1 187 . 1 . 1 51 51 LYS H H 1 8.562 0.001 . 1 . . . . . 168 Lys H . 27993 1 188 . 1 . 1 51 51 LYS C C 13 175.427 0.000 . 1 . . . . . 168 Lys C . 27993 1 189 . 1 . 1 51 51 LYS CA C 13 55.927 0.000 . 1 . . . . . 168 Lys CA . 27993 1 190 . 1 . 1 51 51 LYS CB C 13 33.096 0.000 . 1 . . . . . 168 Lys CB . 27993 1 191 . 1 . 1 51 51 LYS N N 15 122.359 0.008 . 1 . . . . . 168 Lys N . 27993 1 192 . 1 . 1 52 52 TYR H H 1 8.399 0.001 . 1 . . . . . 169 Tyr H . 27993 1 193 . 1 . 1 52 52 TYR C C 13 174.067 0.000 . 1 . . . . . 169 Tyr C . 27993 1 194 . 1 . 1 52 52 TYR CA C 13 57.837 0.000 . 1 . . . . . 169 Tyr CA . 27993 1 195 . 1 . 1 52 52 TYR CB C 13 38.996 0.000 . 1 . . . . . 169 Tyr CB . 27993 1 196 . 1 . 1 52 52 TYR N N 15 122.265 0.017 . 1 . . . . . 169 Tyr N . 27993 1 197 . 1 . 1 53 53 ASP H H 1 8.320 0.000 . 1 . . . . . 170 Asp H . 27993 1 198 . 1 . 1 53 53 ASP C C 13 175.014 0.000 . 1 . . . . . 170 Asp C . 27993 1 199 . 1 . 1 53 53 ASP CA C 13 53.393 0.000 . 1 . . . . . 170 Asp CA . 27993 1 200 . 1 . 1 53 53 ASP CB C 13 41.233 0.000 . 1 . . . . . 170 Asp CB . 27993 1 201 . 1 . 1 53 53 ASP N N 15 124.229 0.009 . 1 . . . . . 170 Asp N . 27993 1 202 . 1 . 1 54 54 ALA H H 1 8.586 0.000 . 1 . . . . . 171 Ala H . 27993 1 203 . 1 . 1 54 54 ALA C C 13 177.462 0.000 . 1 . . . . . 171 Ala C . 27993 1 204 . 1 . 1 54 54 ALA CA C 13 53.323 0.000 . 1 . . . . . 171 Ala CA . 27993 1 205 . 1 . 1 54 54 ALA CB C 13 18.815 0.000 . 1 . . . . . 171 Ala CB . 27993 1 206 . 1 . 1 54 54 ALA N N 15 127.085 0.009 . 1 . . . . . 171 Ala N . 27993 1 207 . 1 . 1 55 55 SER H H 1 8.510 0.001 . 1 . . . . . 172 Ser H . 27993 1 208 . 1 . 1 55 55 SER C C 13 174.302 0.000 . 1 . . . . . 172 Ser C . 27993 1 209 . 1 . 1 55 55 SER CA C 13 59.581 0.000 . 1 . . . . . 172 Ser CA . 27993 1 210 . 1 . 1 55 55 SER CB C 13 63.489 0.000 . 1 . . . . . 172 Ser CB . 27993 1 211 . 1 . 1 55 55 SER N N 15 114.770 0.011 . 1 . . . . . 172 Ser N . 27993 1 212 . 1 . 1 56 56 LEU H H 1 7.947 0.000 . 1 . . . . . 173 Leu H . 27993 1 213 . 1 . 1 56 56 LEU C C 13 176.977 0.000 . 1 . . . . . 173 Leu C . 27993 1 214 . 1 . 1 56 56 LEU CA C 13 55.543 0.000 . 1 . . . . . 173 Leu CA . 27993 1 215 . 1 . 1 56 56 LEU CB C 13 41.963 0.000 . 1 . . . . . 173 Leu CB . 27993 1 216 . 1 . 1 56 56 LEU N N 15 123.097 0.010 . 1 . . . . . 173 Leu N . 27993 1 217 . 1 . 1 57 57 SER H H 1 8.212 0.001 . 1 . . . . . 174 Ser H . 27993 1 218 . 1 . 1 57 57 SER C C 13 173.893 0.000 . 1 . . . . . 174 Ser C . 27993 1 219 . 1 . 1 57 57 SER CA C 13 58.712 0.000 . 1 . . . . . 174 Ser CA . 27993 1 220 . 1 . 1 57 57 SER CB C 13 63.653 0.000 . 1 . . . . . 174 Ser CB . 27993 1 221 . 1 . 1 57 57 SER N N 15 115.693 0.011 . 1 . . . . . 174 Ser N . 27993 1 222 . 1 . 1 58 58 SER H H 1 8.360 0.000 . 1 . . . . . 175 Ser H . 27993 1 223 . 1 . 1 58 58 SER C C 13 173.577 0.000 . 1 . . . . . 175 Ser C . 27993 1 224 . 1 . 1 58 58 SER CA C 13 58.596 0.000 . 1 . . . . . 175 Ser CA . 27993 1 225 . 1 . 1 58 58 SER CB C 13 63.672 0.000 . 1 . . . . . 175 Ser CB . 27993 1 226 . 1 . 1 58 58 SER N N 15 118.024 0.008 . 1 . . . . . 175 Ser N . 27993 1 227 . 1 . 1 59 59 LYS H H 1 8.293 0.001 . 1 . . . . . 176 Lys H . 27993 1 228 . 1 . 1 59 59 LYS C C 13 175.451 0.000 . 1 . . . . . 176 Lys C . 27993 1 229 . 1 . 1 59 59 LYS CA C 13 56.291 0.000 . 1 . . . . . 176 Lys CA . 27993 1 230 . 1 . 1 59 59 LYS CB C 13 32.977 0.000 . 1 . . . . . 176 Lys CB . 27993 1 231 . 1 . 1 59 59 LYS N N 15 123.396 0.010 . 1 . . . . . 176 Lys N . 27993 1 232 . 1 . 1 60 60 LYS H H 1 8.444 0.001 . 1 . . . . . 177 Lys H . 27993 1 233 . 1 . 1 60 60 LYS C C 13 174.771 0.000 . 1 . . . . . 177 Lys C . 27993 1 234 . 1 . 1 60 60 LYS CA C 13 56.419 0.000 . 1 . . . . . 177 Lys CA . 27993 1 235 . 1 . 1 60 60 LYS CB C 13 32.927 0.000 . 1 . . . . . 177 Lys CB . 27993 1 236 . 1 . 1 60 60 LYS N N 15 123.991 0.010 . 1 . . . . . 177 Lys N . 27993 1 237 . 1 . 1 61 61 ARG H H 1 8.188 0.000 . 1 . . . . . 178 Arg H . 27993 1 238 . 1 . 1 61 61 ARG C C 13 172.163 0.000 . 1 . . . . . 178 Arg C . 27993 1 239 . 1 . 1 61 61 ARG CA C 13 57.476 0.000 . 1 . . . . . 178 Arg CA . 27993 1 240 . 1 . 1 61 61 ARG CB C 13 31.405 0.000 . 1 . . . . . 178 Arg CB . 27993 1 241 . 1 . 1 61 61 ARG N N 15 128.527 0.005 . 1 . . . . . 178 Arg N . 27993 1 stop_ save_