data_52266 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52266 _Entry.Title ; Backbone chemical shift assignment of HoxA9 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-09 _Entry.Accession_date 2024-01-09 _Entry.Last_release_date 2024-01-09 _Entry.Original_release_date 2024-01-09 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nikita Saibo . V. . 0009-0001-1321-5911 52266 2 Soumya De . . . 0000-0002-4347-3137 52266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 142 52266 '15N chemical shifts' 75 52266 '1H chemical shifts' 76 52266 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 . . 2024-02-08 . original BMRB . 52266 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52266 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The intrinsically disordered transactivation region of HOXA9 regulates its function by auto-inhibition of its DNA-binding activity ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev IJBM _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Nikita Saibo . V. . . 52266 1 2 Snigdha Maiti . . . . 52266 1 3 Soumendu Boral . . . . 52266 1 4 Puja Banerjee . . . . 52266 1 5 Tushar Kushwaha . . . . 52266 1 6 Krishna Inampudi . . . . 52266 1 7 Ritobrata Goswami . . . . 52266 1 8 Soumya De . . . . 52266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52266 _Assembly.ID 1 _Assembly.Name 'HoxA9 Monomer' _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 'HoxA9 Monomer' 1 $entity_1 . . yes native no no . . . 52266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52266 _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 ; RRRRRRRRNNPAANWLHARS TRKKRCPYTKHQTLELEKEF LFNMYLTRDRRYEVARLLNL TERQVKIWFQNRRMKMKKIN KDRAKDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 194-266' _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 ARG . 52266 1 2 2 ARG . 52266 1 3 3 ARG . 52266 1 4 4 ARG . 52266 1 5 5 ARG . 52266 1 6 6 ARG . 52266 1 7 7 ARG . 52266 1 8 8 ARG . 52266 1 9 194 ASN . 52266 1 10 195 ASN . 52266 1 11 196 PRO . 52266 1 12 197 ALA . 52266 1 13 198 ALA . 52266 1 14 199 ASN . 52266 1 15 200 TRP . 52266 1 16 201 LEU . 52266 1 17 202 HIS . 52266 1 18 203 ALA . 52266 1 19 204 ARG . 52266 1 20 205 SER . 52266 1 21 206 THR . 52266 1 22 207 ARG . 52266 1 23 208 LYS . 52266 1 24 209 LYS . 52266 1 25 210 ARG . 52266 1 26 211 CYS . 52266 1 27 212 PRO . 52266 1 28 213 TYR . 52266 1 29 214 THR . 52266 1 30 215 LYS . 52266 1 31 216 HIS . 52266 1 32 217 GLN . 52266 1 33 218 THR . 52266 1 34 219 LEU . 52266 1 35 220 GLU . 52266 1 36 221 LEU . 52266 1 37 222 GLU . 52266 1 38 223 LYS . 52266 1 39 224 GLU . 52266 1 40 225 PHE . 52266 1 41 226 LEU . 52266 1 42 227 PHE . 52266 1 43 228 ASN . 52266 1 44 229 MET . 52266 1 45 230 TYR . 52266 1 46 231 LEU . 52266 1 47 232 THR . 52266 1 48 233 ARG . 52266 1 49 234 ASP . 52266 1 50 235 ARG . 52266 1 51 236 ARG . 52266 1 52 237 TYR . 52266 1 53 238 GLU . 52266 1 54 239 VAL . 52266 1 55 240 ALA . 52266 1 56 241 ARG . 52266 1 57 242 LEU . 52266 1 58 243 LEU . 52266 1 59 244 ASN . 52266 1 60 245 LEU . 52266 1 61 246 THR . 52266 1 62 247 GLU . 52266 1 63 248 ARG . 52266 1 64 249 GLN . 52266 1 65 250 VAL . 52266 1 66 251 LYS . 52266 1 67 252 ILE . 52266 1 68 253 TRP . 52266 1 69 254 PHE . 52266 1 70 255 GLN . 52266 1 71 256 ASN . 52266 1 72 257 ARG . 52266 1 73 258 ARG . 52266 1 74 259 MET . 52266 1 75 260 LYS . 52266 1 76 261 MET . 52266 1 77 262 LYS . 52266 1 78 263 LYS . 52266 1 79 264 ILE . 52266 1 80 265 ASN . 52266 1 81 266 LYS . 52266 1 82 267 ASP . 52266 1 83 268 ARG . 52266 1 84 269 ALA . 52266 1 85 270 LYS . 52266 1 86 271 ASP . 52266 1 87 272 GLU . 52266 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 . ARG 1 1 52266 1 . ARG 2 2 52266 1 . ARG 3 3 52266 1 . ARG 4 4 52266 1 . ARG 5 5 52266 1 . ARG 6 6 52266 1 . ARG 7 7 52266 1 . ARG 8 8 52266 1 . ASN 9 9 52266 1 . ASN 10 10 52266 1 . PRO 11 11 52266 1 . ALA 12 12 52266 1 . ALA 13 13 52266 1 . ASN 14 14 52266 1 . TRP 15 15 52266 1 . LEU 16 16 52266 1 . HIS 17 17 52266 1 . ALA 18 18 52266 1 . ARG 19 19 52266 1 . SER 20 20 52266 1 . THR 21 21 52266 1 . ARG 22 22 52266 1 . LYS 23 23 52266 1 . LYS 24 24 52266 1 . ARG 25 25 52266 1 . CYS 26 26 52266 1 . PRO 27 27 52266 1 . TYR 28 28 52266 1 . THR 29 29 52266 1 . LYS 30 30 52266 1 . HIS 31 31 52266 1 . GLN 32 32 52266 1 . THR 33 33 52266 1 . LEU 34 34 52266 1 . GLU 35 35 52266 1 . LEU 36 36 52266 1 . GLU 37 37 52266 1 . LYS 38 38 52266 1 . GLU 39 39 52266 1 . PHE 40 40 52266 1 . LEU 41 41 52266 1 . PHE 42 42 52266 1 . ASN 43 43 52266 1 . MET 44 44 52266 1 . TYR 45 45 52266 1 . LEU 46 46 52266 1 . THR 47 47 52266 1 . ARG 48 48 52266 1 . ASP 49 49 52266 1 . ARG 50 50 52266 1 . ARG 51 51 52266 1 . TYR 52 52 52266 1 . GLU 53 53 52266 1 . VAL 54 54 52266 1 . ALA 55 55 52266 1 . ARG 56 56 52266 1 . LEU 57 57 52266 1 . LEU 58 58 52266 1 . ASN 59 59 52266 1 . LEU 60 60 52266 1 . THR 61 61 52266 1 . GLU 62 62 52266 1 . ARG 63 63 52266 1 . GLN 64 64 52266 1 . VAL 65 65 52266 1 . LYS 66 66 52266 1 . ILE 67 67 52266 1 . TRP 68 68 52266 1 . PHE 69 69 52266 1 . GLN 70 70 52266 1 . ASN 71 71 52266 1 . ARG 72 72 52266 1 . ARG 73 73 52266 1 . MET 74 74 52266 1 . LYS 75 75 52266 1 . MET 76 76 52266 1 . LYS 77 77 52266 1 . LYS 78 78 52266 1 . ILE 79 79 52266 1 . ASN 80 80 52266 1 . LYS 81 81 52266 1 . ASP 82 82 52266 1 . ARG 83 83 52266 1 . ALA 84 84 52266 1 . LYS 85 85 52266 1 . ASP 86 86 52266 1 . GLU 87 87 52266 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 52266 _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 . . . . . . . . . . . . . 52266 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 52266 _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 . . pET28a . . . 52266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52266 _Sample.ID 1 _Sample.Name HoxA9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'HoxA9 Monomer' '[U-100% 13C]' . . 1 $entity_1 . . 0.3 . . mM . . . . 52266 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52266 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52266 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 52266 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 52266 1 pH 5.5 . pH 52266 1 pressure 1 . atm 52266 1 temperature 298 . K 52266 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52266 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52266 1 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 52266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 52266 _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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52266 1 2 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52266 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52266 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52266 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 52266 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'HoxA9 Human' _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 carbon' . . . . ppm 0.00 internal direct 1 . . . . . 52266 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 52266 1 N 15 DSS nitrogen . . . . ppm 0.00 internal direct 1 . . . . . 52266 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 52266 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'HoxA9 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 '2D 1H-15N HSQC' . . . 52266 1 2 '3D CBCACONH' . . . 52266 1 3 '3D HNCACB' . . . 52266 1 4 '3D HNCO' . . . 52266 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 1 $software_1 . . 52266 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 ARG HE H 1 9.241 0.00 . . . . . . . 1 ARG HE . 52266 1 2 . 1 . 1 1 1 ARG NE N 15 112.364 0.00 . . . . . . . 1 ARG NE . 52266 1 3 . 1 . 1 2 2 ARG HE H 1 7.992 0.00 . . . . . . . 2 ARG HE . 52266 1 4 . 1 . 1 2 2 ARG NE N 15 109.454 0.00 . . . . . . . 2 ARG NE . 52266 1 5 . 1 . 1 3 3 ARG HE H 1 7.315 0.00 . . . . . . . 3 ARG HE . 52266 1 6 . 1 . 1 3 3 ARG NE N 15 108.743 0.00 . . . . . . . 3 ARG NE . 52266 1 7 . 1 . 1 4 4 ARG HE H 1 7.088 0.00 . . . . . . . 4 ARG HE . 52266 1 8 . 1 . 1 4 4 ARG NE N 15 109.115 0.00 . . . . . . . 4 ARG NE . 52266 1 9 . 1 . 1 5 5 ARG HE H 1 6.704 0.00 . . . . . . . 5 ARG HE . 52266 1 10 . 1 . 1 5 5 ARG NE N 15 119.498 0.00 . . . . . . . 5 ARG NE . 52266 1 11 . 1 . 1 6 6 ARG HE H 1 7.875 0.00 . . . . . . . 6 ARG HE . 52266 1 12 . 1 . 1 6 6 ARG NE N 15 131.062 0.00 . . . . . . . 6 ARG NE . 52266 1 13 . 1 . 1 7 7 ARG HE H 1 7.511 0.00 . . . . . . . 7 ARG HE . 52266 1 14 . 1 . 1 7 7 ARG NE N 15 131.773 0.00 . . . . . . . 7 ARG NE . 52266 1 15 . 1 . 1 8 8 ARG HE H 1 7.311 0.00 . . . . . . . 8 ARG HE . 52266 1 16 . 1 . 1 8 8 ARG NE N 15 131.622 0.00 . . . . . . . 8 ARG NE . 52266 1 17 . 1 . 1 9 9 ASN H H 1 8.442 0.00 . . . . . . . 194 ASN H . 52266 1 18 . 1 . 1 9 9 ASN CA C 13 52.511 0.02 . . . . . . . 194 ASN CA . 52266 1 19 . 1 . 1 9 9 ASN CB C 13 38.171 0.00 . . . . . . . 194 ASN CB . 52266 1 20 . 1 . 1 9 9 ASN N N 15 120.071 0.03 . . . . . . . 194 ASN N . 52266 1 21 . 1 . 1 10 10 ASN H H 1 8.270 0.00 . . . . . . . 195 ASN H . 52266 1 22 . 1 . 1 10 10 ASN CA C 13 50.531 0.00 . . . . . . . 195 ASN CA . 52266 1 23 . 1 . 1 10 10 ASN CB C 13 38.102 0.00 . . . . . . . 195 ASN CB . 52266 1 24 . 1 . 1 10 10 ASN N N 15 119.859 0.03 . . . . . . . 195 ASN N . 52266 1 25 . 1 . 1 11 11 PRO CA C 13 63.121 0.00 . . . . . . . 196 PRO CA . 52266 1 26 . 1 . 1 11 11 PRO CB C 13 31.197 0.00 . . . . . . . 196 PRO CB . 52266 1 27 . 1 . 1 12 12 ALA H H 1 8.014 0.00 . . . . . . . 197 ALA H . 52266 1 28 . 1 . 1 12 12 ALA CA C 13 51.806 0.03 . . . . . . . 197 ALA CA . 52266 1 29 . 1 . 1 12 12 ALA CB C 13 18.190 0.02 . . . . . . . 197 ALA CB . 52266 1 30 . 1 . 1 12 12 ALA N N 15 122.487 0.02 . . . . . . . 197 ALA N . 52266 1 31 . 1 . 1 13 13 ALA H H 1 7.880 0.00 . . . . . . . 198 ALA H . 52266 1 32 . 1 . 1 13 13 ALA CA C 13 51.973 0.05 . . . . . . . 198 ALA CA . 52266 1 33 . 1 . 1 13 13 ALA CB C 13 18.158 0.02 . . . . . . . 198 ALA CB . 52266 1 34 . 1 . 1 13 13 ALA N N 15 122.122 0.03 . . . . . . . 198 ALA N . 52266 1 35 . 1 . 1 14 14 ASN H H 1 8.064 0.00 . . . . . . . 199 ASN H . 52266 1 36 . 1 . 1 14 14 ASN CA C 13 52.666 0.05 . . . . . . . 199 ASN CA . 52266 1 37 . 1 . 1 14 14 ASN CB C 13 37.854 0.01 . . . . . . . 199 ASN CB . 52266 1 38 . 1 . 1 14 14 ASN N N 15 117.090 0.02 . . . . . . . 199 ASN N . 52266 1 39 . 1 . 1 15 15 TRP H H 1 7.752 0.00 . . . . . . . 200 TRP H . 52266 1 40 . 1 . 1 15 15 TRP CA C 13 56.584 0.05 . . . . . . . 200 TRP CA . 52266 1 41 . 1 . 1 15 15 TRP CB C 13 28.437 0.04 . . . . . . . 200 TRP CB . 52266 1 42 . 1 . 1 15 15 TRP N N 15 120.432 0.02 . . . . . . . 200 TRP N . 52266 1 43 . 1 . 1 16 16 LEU H H 1 7.734 0.00 . . . . . . . 201 LEU H . 52266 1 44 . 1 . 1 16 16 LEU CA C 13 54.745 0.01 . . . . . . . 201 LEU CA . 52266 1 45 . 1 . 1 16 16 LEU CB C 13 41.399 0.02 . . . . . . . 201 LEU CB . 52266 1 46 . 1 . 1 16 16 LEU N N 15 122.578 0.03 . . . . . . . 201 LEU N . 52266 1 47 . 1 . 1 17 17 HIS H H 1 7.958 0.00 . . . . . . . 202 HIS H . 52266 1 48 . 1 . 1 17 17 HIS CA C 13 54.457 0.05 . . . . . . . 202 HIS CA . 52266 1 49 . 1 . 1 17 17 HIS CB C 13 28.756 0.03 . . . . . . . 202 HIS CB . 52266 1 50 . 1 . 1 17 17 HIS N N 15 118.429 0.02 . . . . . . . 202 HIS N . 52266 1 51 . 1 . 1 18 18 ALA H H 1 8.110 0.00 . . . . . . . 203 ALA H . 52266 1 52 . 1 . 1 18 18 ALA CA C 13 52.004 0.02 . . . . . . . 203 ALA CA . 52266 1 53 . 1 . 1 18 18 ALA CB C 13 18.613 0.01 . . . . . . . 203 ALA CB . 52266 1 54 . 1 . 1 18 18 ALA N N 15 125.454 0.02 . . . . . . . 203 ALA N . 52266 1 55 . 1 . 1 19 19 ARG H H 1 7.856 0.00 . . . . . . . 204 ARG H . 52266 1 56 . 1 . 1 19 19 ARG CA C 13 56.750 0.00 . . . . . . . 204 ARG CA . 52266 1 57 . 1 . 1 19 19 ARG CB C 13 30.710 0.00 . . . . . . . 204 ARG CB . 52266 1 58 . 1 . 1 19 19 ARG N N 15 125.486 0.02 . . . . . . . 204 ARG N . 52266 1 59 . 1 . 1 21 21 THR C C 13 171.501 0.09 . . . . . . . 206 THR C . 52266 1 60 . 1 . 1 21 21 THR CA C 13 61.387 0.01 . . . . . . . 206 THR CA . 52266 1 61 . 1 . 1 21 21 THR CB C 13 69.109 0.00 . . . . . . . 206 THR CB . 52266 1 62 . 1 . 1 22 22 ARG H H 1 8.385 0.00 . . . . . . . 207 ARG H . 52266 1 63 . 1 . 1 22 22 ARG C C 13 169.598 0.00 . . . . . . . 207 ARG C . 52266 1 64 . 1 . 1 22 22 ARG CA C 13 55.541 0.03 . . . . . . . 207 ARG CA . 52266 1 65 . 1 . 1 22 22 ARG CB C 13 30.061 0.01 . . . . . . . 207 ARG CB . 52266 1 66 . 1 . 1 22 22 ARG N N 15 124.250 0.03 . . . . . . . 207 ARG N . 52266 1 67 . 1 . 1 23 23 LYS H H 1 8.311 0.00 . . . . . . . 208 LYS H . 52266 1 68 . 1 . 1 23 23 LYS CA C 13 55.609 0.06 . . . . . . . 208 LYS CA . 52266 1 69 . 1 . 1 23 23 LYS CB C 13 32.337 0.09 . . . . . . . 208 LYS CB . 52266 1 70 . 1 . 1 23 23 LYS N N 15 123.561 0.02 . . . . . . . 208 LYS N . 52266 1 71 . 1 . 1 24 24 LYS H H 1 7.853 0.00 . . . . . . . 209 LYS H . 52266 1 72 . 1 . 1 24 24 LYS CA C 13 55.844 0.00 . . . . . . . 209 LYS CA . 52266 1 73 . 1 . 1 24 24 LYS CB C 13 32.170 0.00 . . . . . . . 209 LYS CB . 52266 1 74 . 1 . 1 24 24 LYS N N 15 120.732 0.02 . . . . . . . 209 LYS N . 52266 1 75 . 1 . 1 27 27 PRO CA C 13 63.004 0.00 . . . . . . . 212 PRO CA . 52266 1 76 . 1 . 1 27 27 PRO CB C 13 31.099 0.00 . . . . . . . 212 PRO CB . 52266 1 77 . 1 . 1 28 28 TYR H H 1 7.497 0.00 . . . . . . . 213 TYR H . 52266 1 78 . 1 . 1 28 28 TYR CA C 13 55.966 0.05 . . . . . . . 213 TYR CA . 52266 1 79 . 1 . 1 28 28 TYR CB C 13 39.301 0.02 . . . . . . . 213 TYR CB . 52266 1 80 . 1 . 1 28 28 TYR N N 15 117.132 0.01 . . . . . . . 213 TYR N . 52266 1 81 . 1 . 1 29 29 THR H H 1 9.144 0.01 . . . . . . . 214 THR H . 52266 1 82 . 1 . 1 29 29 THR CA C 13 60.136 0.03 . . . . . . . 214 THR CA . 52266 1 83 . 1 . 1 29 29 THR CB C 13 70.453 0.02 . . . . . . . 214 THR CB . 52266 1 84 . 1 . 1 29 29 THR N N 15 114.833 0.06 . . . . . . . 214 THR N . 52266 1 85 . 1 . 1 30 30 LYS H H 1 8.928 0.00 . . . . . . . 215 LYS H . 52266 1 86 . 1 . 1 30 30 LYS CA C 13 59.355 0.06 . . . . . . . 215 LYS CA . 52266 1 87 . 1 . 1 30 30 LYS CB C 13 31.110 0.00 . . . . . . . 215 LYS CB . 52266 1 88 . 1 . 1 30 30 LYS N N 15 123.076 0.02 . . . . . . . 215 LYS N . 52266 1 89 . 1 . 1 31 31 HIS H H 1 8.462 0.00 . . . . . . . 216 HIS H . 52266 1 90 . 1 . 1 31 31 HIS CA C 13 58.944 0.05 . . . . . . . 216 HIS CA . 52266 1 91 . 1 . 1 31 31 HIS CB C 13 29.298 0.02 . . . . . . . 216 HIS CB . 52266 1 92 . 1 . 1 31 31 HIS N N 15 116.906 0.02 . . . . . . . 216 HIS N . 52266 1 93 . 1 . 1 32 32 GLN H H 1 7.734 0.00 . . . . . . . 217 GLN H . 52266 1 94 . 1 . 1 32 32 GLN CA C 13 58.737 0.04 . . . . . . . 217 GLN CA . 52266 1 95 . 1 . 1 32 32 GLN CB C 13 26.904 0.03 . . . . . . . 217 GLN CB . 52266 1 96 . 1 . 1 32 32 GLN N N 15 115.802 0.02 . . . . . . . 217 GLN N . 52266 1 97 . 1 . 1 33 33 THR H H 1 8.415 0.00 . . . . . . . 218 THR H . 52266 1 98 . 1 . 1 33 33 THR CA C 13 66.629 0.05 . . . . . . . 218 THR CA . 52266 1 99 . 1 . 1 33 33 THR CB C 13 67.901 0.02 . . . . . . . 218 THR CB . 52266 1 100 . 1 . 1 33 33 THR N N 15 113.252 0.02 . . . . . . . 218 THR N . 52266 1 101 . 1 . 1 34 34 LEU H H 1 8.057 0.00 . . . . . . . 219 LEU H . 52266 1 102 . 1 . 1 34 34 LEU CA C 13 57.576 0.04 . . . . . . . 219 LEU CA . 52266 1 103 . 1 . 1 34 34 LEU CB C 13 41.115 0.01 . . . . . . . 219 LEU CB . 52266 1 104 . 1 . 1 34 34 LEU N N 15 121.189 0.03 . . . . . . . 219 LEU N . 52266 1 105 . 1 . 1 35 35 GLU H H 1 7.618 0.00 . . . . . . . 220 GLU H . 52266 1 106 . 1 . 1 35 35 GLU CA C 13 57.661 0.03 . . . . . . . 220 GLU CA . 52266 1 107 . 1 . 1 35 35 GLU CB C 13 29.464 0.01 . . . . . . . 220 GLU CB . 52266 1 108 . 1 . 1 35 35 GLU N N 15 118.025 0.02 . . . . . . . 220 GLU N . 52266 1 109 . 1 . 1 36 36 LEU H H 1 8.228 0.00 . . . . . . . 221 LEU H . 52266 1 110 . 1 . 1 36 36 LEU CA C 13 57.672 0.03 . . . . . . . 221 LEU CA . 52266 1 111 . 1 . 1 36 36 LEU CB C 13 36.698 0.01 . . . . . . . 221 LEU CB . 52266 1 112 . 1 . 1 36 36 LEU N N 15 124.109 0.02 . . . . . . . 221 LEU N . 52266 1 113 . 1 . 1 37 37 GLU H H 1 7.854 0.00 . . . . . . . 222 GLU H . 52266 1 114 . 1 . 1 37 37 GLU CA C 13 58.484 0.01 . . . . . . . 222 GLU CA . 52266 1 115 . 1 . 1 37 37 GLU CB C 13 28.192 0.02 . . . . . . . 222 GLU CB . 52266 1 116 . 1 . 1 37 37 GLU N N 15 118.947 0.02 . . . . . . . 222 GLU N . 52266 1 117 . 1 . 1 38 38 LYS H H 1 7.475 0.01 . . . . . . . 223 LYS H . 52266 1 118 . 1 . 1 38 38 LYS CA C 13 59.215 0.05 . . . . . . . 223 LYS CA . 52266 1 119 . 1 . 1 38 38 LYS CB C 13 31.777 0.01 . . . . . . . 223 LYS CB . 52266 1 120 . 1 . 1 38 38 LYS N N 15 118.698 0.01 . . . . . . . 223 LYS N . 52266 1 121 . 1 . 1 39 39 GLU H H 1 7.776 0.00 . . . . . . . 224 GLU H . 52266 1 122 . 1 . 1 39 39 GLU CA C 13 58.425 0.05 . . . . . . . 224 GLU CA . 52266 1 123 . 1 . 1 39 39 GLU CB C 13 28.047 0.02 . . . . . . . 224 GLU CB . 52266 1 124 . 1 . 1 39 39 GLU N N 15 120.122 0.04 . . . . . . . 224 GLU N . 52266 1 125 . 1 . 1 40 40 PHE H H 1 8.799 0.00 . . . . . . . 225 PHE H . 52266 1 126 . 1 . 1 40 40 PHE CA C 13 60.175 0.02 . . . . . . . 225 PHE CA . 52266 1 127 . 1 . 1 40 40 PHE CB C 13 38.646 0.01 . . . . . . . 225 PHE CB . 52266 1 128 . 1 . 1 40 40 PHE N N 15 121.880 0.02 . . . . . . . 225 PHE N . 52266 1 129 . 1 . 1 41 41 LEU H H 1 7.802 0.00 . . . . . . . 226 LEU H . 52266 1 130 . 1 . 1 41 41 LEU CA C 13 56.027 0.03 . . . . . . . 226 LEU CA . 52266 1 131 . 1 . 1 41 41 LEU CB C 13 40.983 0.01 . . . . . . . 226 LEU CB . 52266 1 132 . 1 . 1 41 41 LEU N N 15 115.508 0.02 . . . . . . . 226 LEU N . 52266 1 133 . 1 . 1 42 42 PHE H H 1 7.494 0.00 . . . . . . . 227 PHE H . 52266 1 134 . 1 . 1 42 42 PHE CA C 13 59.340 0.17 . . . . . . . 227 PHE CA . 52266 1 135 . 1 . 1 42 42 PHE CB C 13 38.784 0.01 . . . . . . . 227 PHE CB . 52266 1 136 . 1 . 1 42 42 PHE N N 15 119.190 0.04 . . . . . . . 227 PHE N . 52266 1 137 . 1 . 1 43 43 ASN H H 1 8.335 0.01 . . . . . . . 228 ASN H . 52266 1 138 . 1 . 1 43 43 ASN HD21 H 1 7.312 0.00 . . . . . . . 228 ASN HD2 . 52266 1 139 . 1 . 1 43 43 ASN HD22 H 1 7.312 0.00 . . . . . . . 228 ASN HD2 . 52266 1 140 . 1 . 1 43 43 ASN CA C 13 52.503 0.02 . . . . . . . 228 ASN CA . 52266 1 141 . 1 . 1 43 43 ASN CB C 13 39.628 0.07 . . . . . . . 228 ASN CB . 52266 1 142 . 1 . 1 43 43 ASN N N 15 116.490 0.06 . . . . . . . 228 ASN N . 52266 1 143 . 1 . 1 43 43 ASN ND2 N 15 116.059 0.00 . . . . . . . 228 ASN ND2 . 52266 1 144 . 1 . 1 44 44 MET H H 1 8.092 0.00 . . . . . . . 229 MET H . 52266 1 145 . 1 . 1 44 44 MET CA C 13 56.770 0.04 . . . . . . . 229 MET CA . 52266 1 146 . 1 . 1 44 44 MET CB C 13 32.743 0.00 . . . . . . . 229 MET CB . 52266 1 147 . 1 . 1 44 44 MET N N 15 120.988 0.02 . . . . . . . 229 MET N . 52266 1 148 . 1 . 1 45 45 TYR H H 1 7.644 0.00 . . . . . . . 230 TYR H . 52266 1 149 . 1 . 1 45 45 TYR CA C 13 56.015 0.00 . . . . . . . 230 TYR CA . 52266 1 150 . 1 . 1 45 45 TYR CB C 13 39.631 0.01 . . . . . . . 230 TYR CB . 52266 1 151 . 1 . 1 45 45 TYR N N 15 115.035 0.02 . . . . . . . 230 TYR N . 52266 1 152 . 1 . 1 46 46 LEU H H 1 8.202 0.00 . . . . . . . 231 LEU H . 52266 1 153 . 1 . 1 46 46 LEU CA C 13 52.718 0.01 . . . . . . . 231 LEU CA . 52266 1 154 . 1 . 1 46 46 LEU CB C 13 43.060 0.02 . . . . . . . 231 LEU CB . 52266 1 155 . 1 . 1 46 46 LEU N N 15 122.150 0.01 . . . . . . . 231 LEU N . 52266 1 156 . 1 . 1 47 47 THR H H 1 7.689 0.00 . . . . . . . 232 THR H . 52266 1 157 . 1 . 1 47 47 THR CA C 13 59.977 0.01 . . . . . . . 232 THR CA . 52266 1 158 . 1 . 1 47 47 THR CB C 13 70.012 0.01 . . . . . . . 232 THR CB . 52266 1 159 . 1 . 1 47 47 THR N N 15 113.114 0.02 . . . . . . . 232 THR N . 52266 1 160 . 1 . 1 48 48 ARG H H 1 8.868 0.00 . . . . . . . 233 ARG H . 52266 1 161 . 1 . 1 48 48 ARG CA C 13 59.558 0.15 . . . . . . . 233 ARG CA . 52266 1 162 . 1 . 1 48 48 ARG CB C 13 28.792 0.02 . . . . . . . 233 ARG CB . 52266 1 163 . 1 . 1 48 48 ARG N N 15 122.089 0.02 . . . . . . . 233 ARG N . 52266 1 164 . 1 . 1 49 49 ASP H H 1 8.351 0.00 . . . . . . . 234 ASP H . 52266 1 165 . 1 . 1 49 49 ASP CA C 13 56.450 0.00 . . . . . . . 234 ASP CA . 52266 1 166 . 1 . 1 49 49 ASP CB C 13 39.348 0.11 . . . . . . . 234 ASP CB . 52266 1 167 . 1 . 1 49 49 ASP N N 15 116.418 0.03 . . . . . . . 234 ASP N . 52266 1 168 . 1 . 1 50 50 ARG H H 1 7.741 0.00 . . . . . . . 235 ARG H . 52266 1 169 . 1 . 1 50 50 ARG CA C 13 56.643 0.02 . . . . . . . 235 ARG CA . 52266 1 170 . 1 . 1 50 50 ARG CB C 13 28.923 0.03 . . . . . . . 235 ARG CB . 52266 1 171 . 1 . 1 50 50 ARG N N 15 121.066 0.02 . . . . . . . 235 ARG N . 52266 1 172 . 1 . 1 51 51 ARG H H 1 8.591 0.00 . . . . . . . 236 ARG H . 52266 1 173 . 1 . 1 51 51 ARG CA C 13 59.873 0.01 . . . . . . . 236 ARG CA . 52266 1 174 . 1 . 1 51 51 ARG CB C 13 29.321 0.05 . . . . . . . 236 ARG CB . 52266 1 175 . 1 . 1 51 51 ARG N N 15 119.936 0.02 . . . . . . . 236 ARG N . 52266 1 176 . 1 . 1 52 52 TYR H H 1 7.798 0.00 . . . . . . . 237 TYR H . 52266 1 177 . 1 . 1 52 52 TYR CA C 13 61.110 0.01 . . . . . . . 237 TYR CA . 52266 1 178 . 1 . 1 52 52 TYR CB C 13 37.300 0.01 . . . . . . . 237 TYR CB . 52266 1 179 . 1 . 1 52 52 TYR N N 15 117.230 0.03 . . . . . . . 237 TYR N . 52266 1 180 . 1 . 1 53 53 GLU H H 1 7.660 0.00 . . . . . . . 238 GLU H . 52266 1 181 . 1 . 1 53 53 GLU CA C 13 58.448 0.01 . . . . . . . 238 GLU CA . 52266 1 182 . 1 . 1 53 53 GLU CB C 13 29.322 0.01 . . . . . . . 238 GLU CB . 52266 1 183 . 1 . 1 53 53 GLU N N 15 120.028 0.03 . . . . . . . 238 GLU N . 52266 1 184 . 1 . 1 54 54 VAL H H 1 8.693 0.00 . . . . . . . 239 VAL H . 52266 1 185 . 1 . 1 54 54 VAL CA C 13 65.820 0.03 . . . . . . . 239 VAL CA . 52266 1 186 . 1 . 1 54 54 VAL CB C 13 30.966 0.04 . . . . . . . 239 VAL CB . 52266 1 187 . 1 . 1 54 54 VAL N N 15 120.315 0.02 . . . . . . . 239 VAL N . 52266 1 188 . 1 . 1 55 55 ALA H H 1 8.016 0.00 . . . . . . . 240 ALA H . 52266 1 189 . 1 . 1 55 55 ALA CA C 13 55.478 0.01 . . . . . . . 240 ALA CA . 52266 1 190 . 1 . 1 55 55 ALA CB C 13 16.577 0.01 . . . . . . . 240 ALA CB . 52266 1 191 . 1 . 1 55 55 ALA N N 15 120.689 0.02 . . . . . . . 240 ALA N . 52266 1 192 . 1 . 1 56 56 ARG H H 1 7.653 0.00 . . . . . . . 241 ARG H . 52266 1 193 . 1 . 1 56 56 ARG CA C 13 58.264 0.02 . . . . . . . 241 ARG CA . 52266 1 194 . 1 . 1 56 56 ARG CB C 13 29.268 0.02 . . . . . . . 241 ARG CB . 52266 1 195 . 1 . 1 56 56 ARG N N 15 116.474 0.02 . . . . . . . 241 ARG N . 52266 1 196 . 1 . 1 57 57 LEU H H 1 8.190 0.00 . . . . . . . 242 LEU H . 52266 1 197 . 1 . 1 57 57 LEU CA C 13 56.996 0.01 . . . . . . . 242 LEU CA . 52266 1 198 . 1 . 1 57 57 LEU CB C 13 41.832 0.00 . . . . . . . 242 LEU CB . 52266 1 199 . 1 . 1 57 57 LEU N N 15 120.036 0.02 . . . . . . . 242 LEU N . 52266 1 200 . 1 . 1 58 58 LEU H H 1 7.731 0.00 . . . . . . . 243 LEU H . 52266 1 201 . 1 . 1 58 58 LEU CA C 13 53.288 0.01 . . . . . . . 243 LEU CA . 52266 1 202 . 1 . 1 58 58 LEU CB C 13 41.886 0.01 . . . . . . . 243 LEU CB . 52266 1 203 . 1 . 1 58 58 LEU N N 15 114.112 0.01 . . . . . . . 243 LEU N . 52266 1 204 . 1 . 1 59 59 ASN H H 1 7.901 0.00 . . . . . . . 244 ASN H . 52266 1 205 . 1 . 1 59 59 ASN CA C 13 53.827 0.07 . . . . . . . 244 ASN CA . 52266 1 206 . 1 . 1 59 59 ASN CB C 13 36.147 0.04 . . . . . . . 244 ASN CB . 52266 1 207 . 1 . 1 59 59 ASN N N 15 118.219 0.02 . . . . . . . 244 ASN N . 52266 1 208 . 1 . 1 60 60 LEU H H 1 8.367 0.00 . . . . . . . 245 LEU H . 52266 1 209 . 1 . 1 60 60 LEU CA C 13 52.007 0.03 . . . . . . . 245 LEU CA . 52266 1 210 . 1 . 1 60 60 LEU CB C 13 47.026 0.03 . . . . . . . 245 LEU CB . 52266 1 211 . 1 . 1 60 60 LEU N N 15 118.812 0.02 . . . . . . . 245 LEU N . 52266 1 212 . 1 . 1 61 61 THR H H 1 8.633 0.00 . . . . . . . 246 THR H . 52266 1 213 . 1 . 1 61 61 THR CA C 13 59.745 0.01 . . . . . . . 246 THR CA . 52266 1 214 . 1 . 1 61 61 THR CB C 13 70.240 0.01 . . . . . . . 246 THR CB . 52266 1 215 . 1 . 1 61 61 THR N N 15 109.191 0.02 . . . . . . . 246 THR N . 52266 1 216 . 1 . 1 62 62 GLU H H 1 9.109 0.00 . . . . . . . 247 GLU H . 52266 1 217 . 1 . 1 62 62 GLU CA C 13 60.296 0.06 . . . . . . . 247 GLU CA . 52266 1 218 . 1 . 1 62 62 GLU CB C 13 28.368 0.01 . . . . . . . 247 GLU CB . 52266 1 219 . 1 . 1 62 62 GLU N N 15 121.094 0.01 . . . . . . . 247 GLU N . 52266 1 220 . 1 . 1 63 63 ARG H H 1 8.103 0.00 . . . . . . . 248 ARG H . 52266 1 221 . 1 . 1 63 63 ARG CA C 13 58.688 0.02 . . . . . . . 248 ARG CA . 52266 1 222 . 1 . 1 63 63 ARG CB C 13 29.148 0.06 . . . . . . . 248 ARG CB . 52266 1 223 . 1 . 1 63 63 ARG N N 15 119.178 0.02 . . . . . . . 248 ARG N . 52266 1 224 . 1 . 1 64 64 GLN H H 1 7.933 0.00 . . . . . . . 249 GLN H . 52266 1 225 . 1 . 1 64 64 GLN CA C 13 58.697 0.03 . . . . . . . 249 GLN CA . 52266 1 226 . 1 . 1 64 64 GLN CB C 13 28.921 0.03 . . . . . . . 249 GLN CB . 52266 1 227 . 1 . 1 64 64 GLN N N 15 117.520 0.02 . . . . . . . 249 GLN N . 52266 1 228 . 1 . 1 65 65 VAL H H 1 7.898 0.00 . . . . . . . 250 VAL H . 52266 1 229 . 1 . 1 65 65 VAL CA C 13 67.039 0.01 . . . . . . . 250 VAL CA . 52266 1 230 . 1 . 1 65 65 VAL CB C 13 31.205 0.01 . . . . . . . 250 VAL CB . 52266 1 231 . 1 . 1 65 65 VAL N N 15 121.174 0.01 . . . . . . . 250 VAL N . 52266 1 232 . 1 . 1 66 66 LYS H H 1 8.441 0.00 . . . . . . . 251 LYS H . 52266 1 233 . 1 . 1 66 66 LYS CA C 13 59.467 0.03 . . . . . . . 251 LYS CA . 52266 1 234 . 1 . 1 66 66 LYS CB C 13 32.534 0.01 . . . . . . . 251 LYS CB . 52266 1 235 . 1 . 1 66 66 LYS N N 15 121.222 0.02 . . . . . . . 251 LYS N . 52266 1 236 . 1 . 1 67 67 ILE H H 1 8.638 0.00 . . . . . . . 252 ILE H . 52266 1 237 . 1 . 1 67 67 ILE CA C 13 63.526 0.09 . . . . . . . 252 ILE CA . 52266 1 238 . 1 . 1 67 67 ILE CB C 13 37.369 0.00 . . . . . . . 252 ILE CB . 52266 1 239 . 1 . 1 67 67 ILE N N 15 119.501 0.02 . . . . . . . 252 ILE N . 52266 1 240 . 1 . 1 68 68 TRP H H 1 8.015 0.00 . . . . . . . 253 TRP H . 52266 1 241 . 1 . 1 68 68 TRP CA C 13 62.499 0.00 . . . . . . . 253 TRP CA . 52266 1 242 . 1 . 1 68 68 TRP CB C 13 28.497 0.03 . . . . . . . 253 TRP CB . 52266 1 243 . 1 . 1 68 68 TRP N N 15 122.168 0.04 . . . . . . . 253 TRP N . 52266 1 244 . 1 . 1 69 69 PHE H H 1 8.792 0.00 . . . . . . . 254 PHE H . 52266 1 245 . 1 . 1 69 69 PHE CA C 13 62.768 0.03 . . . . . . . 254 PHE CA . 52266 1 246 . 1 . 1 69 69 PHE CB C 13 39.022 0.02 . . . . . . . 254 PHE CB . 52266 1 247 . 1 . 1 69 69 PHE N N 15 119.457 0.03 . . . . . . . 254 PHE N . 52266 1 248 . 1 . 1 70 70 GLN H H 1 8.138 0.00 . . . . . . . 255 GLN H . 52266 1 249 . 1 . 1 70 70 GLN CA C 13 58.739 0.02 . . . . . . . 255 GLN CA . 52266 1 250 . 1 . 1 70 70 GLN CB C 13 27.715 0.01 . . . . . . . 255 GLN CB . 52266 1 251 . 1 . 1 70 70 GLN N N 15 118.611 0.02 . . . . . . . 255 GLN N . 52266 1 252 . 1 . 1 71 71 ASN H H 1 8.229 0.00 . . . . . . . 256 ASN H . 52266 1 253 . 1 . 1 71 71 ASN CA C 13 54.665 0.20 . . . . . . . 256 ASN CA . 52266 1 254 . 1 . 1 71 71 ASN CB C 13 37.086 0.03 . . . . . . . 256 ASN CB . 52266 1 255 . 1 . 1 71 71 ASN N N 15 118.108 0.02 . . . . . . . 256 ASN N . 52266 1 256 . 1 . 1 72 72 ARG H H 1 8.028 0.01 . . . . . . . 257 ARG H . 52266 1 257 . 1 . 1 72 72 ARG CA C 13 55.849 0.06 . . . . . . . 257 ARG CA . 52266 1 258 . 1 . 1 72 72 ARG CB C 13 27.676 0.02 . . . . . . . 257 ARG CB . 52266 1 259 . 1 . 1 72 72 ARG N N 15 122.955 0.07 . . . . . . . 257 ARG N . 52266 1 260 . 1 . 1 73 73 ARG H H 1 7.827 0.00 . . . . . . . 258 ARG H . 52266 1 261 . 1 . 1 73 73 ARG CA C 13 59.313 0.01 . . . . . . . 258 ARG CA . 52266 1 262 . 1 . 1 73 73 ARG CB C 13 30.604 0.03 . . . . . . . 258 ARG CB . 52266 1 263 . 1 . 1 73 73 ARG N N 15 117.770 0.03 . . . . . . . 258 ARG N . 52266 1 264 . 1 . 1 74 74 MET H H 1 7.438 0.00 . . . . . . . 259 MET H . 52266 1 265 . 1 . 1 74 74 MET CA C 13 55.837 0.15 . . . . . . . 259 MET CA . 52266 1 266 . 1 . 1 74 74 MET CB C 13 31.821 0.39 . . . . . . . 259 MET CB . 52266 1 267 . 1 . 1 74 74 MET N N 15 117.695 0.01 . . . . . . . 259 MET N . 52266 1 268 . 1 . 1 75 75 LYS H H 1 8.069 0.00 . . . . . . . 260 LYS H . 52266 1 269 . 1 . 1 75 75 LYS CA C 13 55.783 0.00 . . . . . . . 260 LYS CA . 52266 1 270 . 1 . 1 75 75 LYS CB C 13 32.162 0.00 . . . . . . . 260 LYS CB . 52266 1 271 . 1 . 1 75 75 LYS N N 15 122.110 0.03 . . . . . . . 260 LYS N . 52266 1 272 . 1 . 1 76 76 MET CA C 13 56.899 0.00 . . . . . . . 261 MET CA . 52266 1 273 . 1 . 1 76 76 MET CB C 13 31.353 0.00 . . . . . . . 261 MET CB . 52266 1 274 . 1 . 1 77 77 LYS H H 1 7.324 0.00 . . . . . . . 262 LYS H . 52266 1 275 . 1 . 1 77 77 LYS CA C 13 56.529 0.00 . . . . . . . 262 LYS CA . 52266 1 276 . 1 . 1 77 77 LYS CB C 13 31.696 0.02 . . . . . . . 262 LYS CB . 52266 1 277 . 1 . 1 77 77 LYS N N 15 118.290 0.02 . . . . . . . 262 LYS N . 52266 1 278 . 1 . 1 78 78 LYS H H 1 7.447 0.00 . . . . . . . 263 LYS H . 52266 1 279 . 1 . 1 78 78 LYS CA C 13 55.734 0.06 . . . . . . . 263 LYS CA . 52266 1 280 . 1 . 1 78 78 LYS CB C 13 32.082 0.08 . . . . . . . 263 LYS CB . 52266 1 281 . 1 . 1 78 78 LYS N N 15 118.030 0.02 . . . . . . . 263 LYS N . 52266 1 282 . 1 . 1 79 79 ILE H H 1 8.042 0.00 . . . . . . . 264 ILE H . 52266 1 283 . 1 . 1 79 79 ILE CA C 13 60.327 0.02 . . . . . . . 264 ILE CA . 52266 1 284 . 1 . 1 79 79 ILE CB C 13 38.067 0.01 . . . . . . . 264 ILE CB . 52266 1 285 . 1 . 1 79 79 ILE N N 15 121.602 0.02 . . . . . . . 264 ILE N . 52266 1 286 . 1 . 1 80 80 ASN H H 1 8.376 0.00 . . . . . . . 265 ASN H . 52266 1 287 . 1 . 1 80 80 ASN CA C 13 52.592 0.00 . . . . . . . 265 ASN CA . 52266 1 288 . 1 . 1 80 80 ASN CB C 13 38.400 0.02 . . . . . . . 265 ASN CB . 52266 1 289 . 1 . 1 80 80 ASN N N 15 123.257 0.02 . . . . . . . 265 ASN N . 52266 1 290 . 1 . 1 81 81 LYS H H 1 7.802 0.00 . . . . . . . 266 LYS H . 52266 1 291 . 1 . 1 81 81 LYS CA C 13 57.122 0.00 . . . . . . . 266 LYS CA . 52266 1 292 . 1 . 1 81 81 LYS CB C 13 33.071 0.00 . . . . . . . 266 LYS CB . 52266 1 293 . 1 . 1 81 81 LYS N N 15 126.691 0.02 . . . . . . . 266 LYS N . 52266 1 stop_ save_