data_52555 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52555 _Entry.Title ; Backbone assignments for TALE Homeodomain Transcription Factor Meis1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-16 _Entry.Accession_date 2024-07-16 _Entry.Last_release_date 2024-07-17 _Entry.Original_release_date 2024-07-17 _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 . _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 Seo-Ree Choi . . . . 52555 2 Juyong Lee . . . . 52555 3 Joon-hwa Lee . . . . 52555 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52555 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 136 52555 '15N chemical shifts' 77 52555 '1H chemical shifts' 87 52555 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 . . 2024-07-29 . original BMRB . 52555 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52555 _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 ; Molecular Basis of Facilitated Target Search and Sequence Discrimination of TALE Homeodomain Transcription Factor Meis1 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _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 Seo-Ree Choi . . . . 52555 1 2 Juyong Lee . . . . 52555 1 3 Yeo-Jin Seo . . . . 52555 1 4 Ho-Seong Jin . . . . 52555 1 5 Hye-Bin Ahn . . . . 52555 1 6 Youyeon Go . . . . 52555 1 7 Nak-Kyoon Kim . . . . 52555 1 8 Kyoung-Seok Ryu . . . . 52555 1 9 Joon-Hwa Lee . . . . 52555 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52555 _Assembly.ID 1 _Assembly.Name 'meis1 homeodomain' _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 Meis1-HD 1 $entity_1 . . yes native no no . . . 52555 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52555 _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 ; RHKKRGIFPKVATNIMRAWL FQHLTHPYPSEEQKKQLAQD TGLTILQVNNWFINARRRIV QPMIDQSNR ; _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 69 _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 1 272 ARG . 52555 1 2 273 HIS . 52555 1 3 274 LYS . 52555 1 4 275 LYS . 52555 1 5 276 ARG . 52555 1 6 277 GLY . 52555 1 7 278 ILE . 52555 1 8 279 PHE . 52555 1 9 280 PRO . 52555 1 10 281 LYS . 52555 1 11 282 VAL . 52555 1 12 283 ALA . 52555 1 13 284 THR . 52555 1 14 285 ASN . 52555 1 15 286 ILE . 52555 1 16 287 MET . 52555 1 17 288 ARG . 52555 1 18 289 ALA . 52555 1 19 290 TRP . 52555 1 20 291 LEU . 52555 1 21 292 PHE . 52555 1 22 293 GLN . 52555 1 23 294 HIS . 52555 1 24 295 LEU . 52555 1 25 296 THR . 52555 1 26 297 HIS . 52555 1 27 298 PRO . 52555 1 28 299 TYR . 52555 1 29 300 PRO . 52555 1 30 301 SER . 52555 1 31 302 GLU . 52555 1 32 303 GLU . 52555 1 33 304 GLN . 52555 1 34 305 LYS . 52555 1 35 306 LYS . 52555 1 36 307 GLN . 52555 1 37 308 LEU . 52555 1 38 309 ALA . 52555 1 39 310 GLN . 52555 1 40 311 ASP . 52555 1 41 312 THR . 52555 1 42 313 GLY . 52555 1 43 314 LEU . 52555 1 44 315 THR . 52555 1 45 316 ILE . 52555 1 46 317 LEU . 52555 1 47 318 GLN . 52555 1 48 319 VAL . 52555 1 49 320 ASN . 52555 1 50 321 ASN . 52555 1 51 322 TRP . 52555 1 52 323 PHE . 52555 1 53 324 ILE . 52555 1 54 325 ASN . 52555 1 55 326 ALA . 52555 1 56 327 ARG . 52555 1 57 328 ARG . 52555 1 58 329 ARG . 52555 1 59 330 ILE . 52555 1 60 331 VAL . 52555 1 61 332 GLN . 52555 1 62 333 PRO . 52555 1 63 334 MET . 52555 1 64 335 ILE . 52555 1 65 336 ASP . 52555 1 66 337 GLN . 52555 1 67 338 SER . 52555 1 68 339 ASN . 52555 1 69 340 ARG . 52555 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 52555 1 . HIS 2 2 52555 1 . LYS 3 3 52555 1 . LYS 4 4 52555 1 . ARG 5 5 52555 1 . GLY 6 6 52555 1 . ILE 7 7 52555 1 . PHE 8 8 52555 1 . PRO 9 9 52555 1 . LYS 10 10 52555 1 . VAL 11 11 52555 1 . ALA 12 12 52555 1 . THR 13 13 52555 1 . ASN 14 14 52555 1 . ILE 15 15 52555 1 . MET 16 16 52555 1 . ARG 17 17 52555 1 . ALA 18 18 52555 1 . TRP 19 19 52555 1 . LEU 20 20 52555 1 . PHE 21 21 52555 1 . GLN 22 22 52555 1 . HIS 23 23 52555 1 . LEU 24 24 52555 1 . THR 25 25 52555 1 . HIS 26 26 52555 1 . PRO 27 27 52555 1 . TYR 28 28 52555 1 . PRO 29 29 52555 1 . SER 30 30 52555 1 . GLU 31 31 52555 1 . GLU 32 32 52555 1 . GLN 33 33 52555 1 . LYS 34 34 52555 1 . LYS 35 35 52555 1 . GLN 36 36 52555 1 . LEU 37 37 52555 1 . ALA 38 38 52555 1 . GLN 39 39 52555 1 . ASP 40 40 52555 1 . THR 41 41 52555 1 . GLY 42 42 52555 1 . LEU 43 43 52555 1 . THR 44 44 52555 1 . ILE 45 45 52555 1 . LEU 46 46 52555 1 . GLN 47 47 52555 1 . VAL 48 48 52555 1 . ASN 49 49 52555 1 . ASN 50 50 52555 1 . TRP 51 51 52555 1 . PHE 52 52 52555 1 . ILE 53 53 52555 1 . ASN 54 54 52555 1 . ALA 55 55 52555 1 . ARG 56 56 52555 1 . ARG 57 57 52555 1 . ARG 58 58 52555 1 . ILE 59 59 52555 1 . VAL 60 60 52555 1 . GLN 61 61 52555 1 . PRO 62 62 52555 1 . MET 63 63 52555 1 . ILE 64 64 52555 1 . ASP 65 65 52555 1 . GLN 66 66 52555 1 . SER 67 67 52555 1 . ASN 68 68 52555 1 . ARG 69 69 52555 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 52555 _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 . . . . . . . . . . . . . 52555 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 52555 _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 . . pGEX-2T . . . 52555 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52555 _Sample.ID 1 _Sample.Name Meis1-HD _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 Meis1-HD '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 52555 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 52555 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 52555 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 52555 _Sample_condition_list.ID 1 _Sample_condition_list.Name Meis1-HD _Sample_condition_list.Details '10 mM sodium phosphate (pH 6.0) and 100 mM NaCl' 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' 110 . mM 52555 1 pH 6.0 . pH 52555 1 pressure 1 . atm 52555 1 temperature 298 . K 52555 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52555 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52555 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52555 _Software.ID 2 _Software.Type . _Software.Name POKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52555 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52555 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52555 3 'peak picking' . 52555 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52555 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52555 4 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 52555 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance-Neo 900 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 52555 _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 . . . . . . . . . . . . . . . . . 52555 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52555 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52555 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 52555 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Meis1-HD _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 . . . . . 52555 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52555 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52555 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 52555 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name meis1_assign.list _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' . . . 52555 1 2 '3D CBCA(CO)NH' . . . 52555 1 3 '3D HNCACB' . . . 52555 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 . . 52555 1 3 $software_3 . . 52555 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 H H 1 8.524 0.000 . 1 . . . . . 272 R H . 52555 1 2 . 1 . 1 1 1 ARG CA C 13 56.335 0.023 . 1 . . . . . 272 R CA . 52555 1 3 . 1 . 1 1 1 ARG CB C 13 30.621 0.028 . 1 . . . . . 272 R CB . 52555 1 4 . 1 . 1 1 1 ARG N N 15 123.046 0.007 . 1 . . . . . 272 R N . 52555 1 5 . 1 . 1 2 2 HIS H H 1 8.448 0.001 . 1 . . . . . 273 H H . 52555 1 6 . 1 . 1 2 2 HIS CA C 13 55.551 0.043 . 1 . . . . . 273 H CA . 52555 1 7 . 1 . 1 2 2 HIS CB C 13 29.816 0.004 . 1 . . . . . 273 H CB . 52555 1 8 . 1 . 1 2 2 HIS N N 15 120.181 0.011 . 1 . . . . . 273 H N . 52555 1 9 . 1 . 1 3 3 LYS H H 1 8.382 0.001 . 1 . . . . . 274 K H . 52555 1 10 . 1 . 1 3 3 LYS CA C 13 56.358 0.027 . 1 . . . . . 274 K CA . 52555 1 11 . 1 . 1 3 3 LYS CB C 13 33.205 0.021 . 1 . . . . . 274 K CB . 52555 1 12 . 1 . 1 3 3 LYS N N 15 123.461 0.015 . 1 . . . . . 274 K N . 52555 1 13 . 1 . 1 4 4 LYS H H 1 8.450 0.002 . 1 . . . . . 275 K H . 52555 1 14 . 1 . 1 4 4 LYS CA C 13 56.413 0.018 . 1 . . . . . 275 K CA . 52555 1 15 . 1 . 1 4 4 LYS CB C 13 33.071 0.030 . 1 . . . . . 275 K CB . 52555 1 16 . 1 . 1 4 4 LYS N N 15 123.580 0.024 . 1 . . . . . 275 K N . 52555 1 17 . 1 . 1 5 5 ARG H H 1 8.435 0.003 . 1 . . . . . 276 R H . 52555 1 18 . 1 . 1 5 5 ARG CA C 13 56.193 0.049 . 1 . . . . . 276 R CA . 52555 1 19 . 1 . 1 5 5 ARG CB C 13 31.121 0.003 . 1 . . . . . 276 R CB . 52555 1 20 . 1 . 1 5 5 ARG N N 15 123.278 0.074 . 1 . . . . . 276 R N . 52555 1 21 . 1 . 1 6 6 GLY H H 1 8.458 0.000 . 1 . . . . . 277 G H . 52555 1 22 . 1 . 1 6 6 GLY CA C 13 45.281 0.004 . 1 . . . . . 277 G CA . 52555 1 23 . 1 . 1 6 6 GLY N N 15 110.575 0.004 . 1 . . . . . 277 G N . 52555 1 24 . 1 . 1 7 7 ILE H H 1 7.825 0.001 . 1 . . . . . 278 I H . 52555 1 25 . 1 . 1 7 7 ILE CA C 13 60.702 0.006 . 1 . . . . . 278 I CA . 52555 1 26 . 1 . 1 7 7 ILE CB C 13 38.875 0.014 . 1 . . . . . 278 I CB . 52555 1 27 . 1 . 1 7 7 ILE N N 15 119.711 0.004 . 1 . . . . . 278 I N . 52555 1 28 . 1 . 1 8 8 PHE H H 1 8.477 0.000 . 1 . . . . . 279 F H . 52555 1 29 . 1 . 1 8 8 PHE CA C 13 55.114 0.000 . 1 . . . . . 279 F CA . 52555 1 30 . 1 . 1 8 8 PHE CB C 13 39.158 0.000 . 1 . . . . . 279 F CB . 52555 1 31 . 1 . 1 8 8 PHE N N 15 125.085 0.007 . 1 . . . . . 279 F N . 52555 1 32 . 1 . 1 9 9 PRO CA C 13 63.317 0.013 . 1 . . . . . 280 P CA . 52555 1 33 . 1 . 1 9 9 PRO CB C 13 32.517 0.007 . 1 . . . . . 280 P CB . 52555 1 34 . 1 . 1 10 10 LYS H H 1 8.643 0.001 . 1 . . . . . 281 K H . 52555 1 35 . 1 . 1 10 10 LYS CA C 13 59.039 0.011 . 1 . . . . . 281 K CA . 52555 1 36 . 1 . 1 10 10 LYS CB C 13 32.435 0.033 . 1 . . . . . 281 K CB . 52555 1 37 . 1 . 1 10 10 LYS N N 15 123.981 0.013 . 1 . . . . . 281 K N . 52555 1 38 . 1 . 1 11 11 VAL H H 1 8.236 0.001 . 1 . . . . . 282 V H . 52555 1 39 . 1 . 1 11 11 VAL CA C 13 65.126 0.009 . 1 . . . . . 282 V CA . 52555 1 40 . 1 . 1 11 11 VAL CB C 13 31.675 0.032 . 1 . . . . . 282 V CB . 52555 1 41 . 1 . 1 11 11 VAL N N 15 117.999 0.008 . 1 . . . . . 282 V N . 52555 1 42 . 1 . 1 12 12 ALA H H 1 7.442 0.003 . 1 . . . . . 283 A H . 52555 1 43 . 1 . 1 12 12 ALA CA C 13 54.941 0.016 . 1 . . . . . 283 A CA . 52555 1 44 . 1 . 1 12 12 ALA CB C 13 18.821 0.008 . 1 . . . . . 283 A CB . 52555 1 45 . 1 . 1 12 12 ALA N N 15 121.963 0.004 . 1 . . . . . 283 A N . 52555 1 46 . 1 . 1 13 13 THR H H 1 8.070 0.001 . 1 . . . . . 284 T H . 52555 1 47 . 1 . 1 13 13 THR CA C 13 66.307 0.007 . 1 . . . . . 284 T CA . 52555 1 48 . 1 . 1 13 13 THR CB C 13 68.277 0.026 . 1 . . . . . 284 T CB . 52555 1 49 . 1 . 1 13 13 THR N N 15 111.762 0.031 . 1 . . . . . 284 T N . 52555 1 50 . 1 . 1 14 14 ASN H H 1 8.213 0.001 . 1 . . . . . 285 N H . 52555 1 51 . 1 . 1 14 14 ASN CA C 13 56.086 0.021 . 1 . . . . . 285 N CA . 52555 1 52 . 1 . 1 14 14 ASN CB C 13 37.516 0.035 . 1 . . . . . 285 N CB . 52555 1 53 . 1 . 1 14 14 ASN N N 15 120.495 0.006 . 1 . . . . . 285 N N . 52555 1 54 . 1 . 1 15 15 ILE H H 1 7.687 0.002 . 1 . . . . . 286 I H . 52555 1 55 . 1 . 1 15 15 ILE CA C 13 65.211 0.013 . 1 . . . . . 286 I CA . 52555 1 56 . 1 . 1 15 15 ILE CB C 13 38.369 0.019 . 1 . . . . . 286 I CB . 52555 1 57 . 1 . 1 15 15 ILE N N 15 122.222 0.006 . 1 . . . . . 286 I N . 52555 1 58 . 1 . 1 16 16 MET H H 1 7.473 0.001 . 1 . . . . . 287 M H . 52555 1 59 . 1 . 1 16 16 MET CA C 13 60.233 0.025 . 1 . . . . . 287 M CA . 52555 1 60 . 1 . 1 16 16 MET CB C 13 29.827 0.016 . 1 . . . . . 287 M CB . 52555 1 61 . 1 . 1 16 16 MET N N 15 120.047 0.009 . 1 . . . . . 287 M N . 52555 1 62 . 1 . 1 17 17 ARG H H 1 8.548 0.001 . 1 . . . . . 288 R H . 52555 1 63 . 1 . 1 17 17 ARG CA C 13 60.223 0.016 . 1 . . . . . 288 R CA . 52555 1 64 . 1 . 1 17 17 ARG CB C 13 30.448 0.015 . 1 . . . . . 288 R CB . 52555 1 65 . 1 . 1 17 17 ARG N N 15 119.658 0.001 . 1 . . . . . 288 R N . 52555 1 66 . 1 . 1 18 18 ALA H H 1 7.936 0.003 . 1 . . . . . 289 A H . 52555 1 67 . 1 . 1 18 18 ALA CA C 13 55.245 0.018 . 1 . . . . . 289 A CA . 52555 1 68 . 1 . 1 18 18 ALA CB C 13 17.681 0.029 . 1 . . . . . 289 A CB . 52555 1 69 . 1 . 1 18 18 ALA N N 15 120.675 0.006 . 1 . . . . . 289 A N . 52555 1 70 . 1 . 1 19 19 TRP H H 1 7.792 0.003 . 1 . . . . . 290 W H . 52555 1 71 . 1 . 1 19 19 TRP HE1 H 1 9.729 0.000 . 1 . . . . . 290 W HE1 . 52555 1 72 . 1 . 1 19 19 TRP CA C 13 63.055 0.003 . 1 . . . . . 290 W CA . 52555 1 73 . 1 . 1 19 19 TRP CB C 13 29.978 0.014 . 1 . . . . . 290 W CB . 52555 1 74 . 1 . 1 19 19 TRP N N 15 118.430 0.077 . 1 . . . . . 290 W N . 52555 1 75 . 1 . 1 19 19 TRP NE1 N 15 129.152 0.000 . 1 . . . . . 290 W NE1 . 52555 1 76 . 1 . 1 20 20 LEU H H 1 9.140 0.001 . 1 . . . . . 291 L H . 52555 1 77 . 1 . 1 20 20 LEU CA C 13 60.057 0.022 . 1 . . . . . 291 L CA . 52555 1 78 . 1 . 1 20 20 LEU CB C 13 42.334 0.029 . 1 . . . . . 291 L CB . 52555 1 79 . 1 . 1 20 20 LEU N N 15 123.364 0.008 . 1 . . . . . 291 L N . 52555 1 80 . 1 . 1 21 21 PHE H H 1 8.668 0.000 . 1 . . . . . 292 F H . 52555 1 81 . 1 . 1 21 21 PHE CA C 13 60.925 0.015 . 1 . . . . . 292 F CA . 52555 1 82 . 1 . 1 21 21 PHE CB C 13 38.084 0.007 . 1 . . . . . 292 F CB . 52555 1 83 . 1 . 1 21 21 PHE N N 15 115.174 0.012 . 1 . . . . . 292 F N . 52555 1 84 . 1 . 1 22 22 GLN H H 1 7.568 0.002 . 1 . . . . . 293 Q H . 52555 1 85 . 1 . 1 22 22 GLN HE21 H 1 6.838 0.000 . 1 . . . . . 293 Q HE21 . 52555 1 86 . 1 . 1 22 22 GLN HE22 H 1 7.381 0.000 . 1 . . . . . 293 Q HE22 . 52555 1 87 . 1 . 1 22 22 GLN CA C 13 56.275 0.018 . 1 . . . . . 293 Q CA . 52555 1 88 . 1 . 1 22 22 GLN CB C 13 29.190 0.004 . 1 . . . . . 293 Q CB . 52555 1 89 . 1 . 1 22 22 GLN N N 15 116.952 0.008 . 1 . . . . . 293 Q N . 52555 1 90 . 1 . 1 22 22 GLN NE2 N 15 111.769 0.018 . 1 . . . . . 293 Q NE2 . 52555 1 91 . 1 . 1 23 23 HIS H H 1 7.684 0.001 . 1 . . . . . 294 H H . 52555 1 92 . 1 . 1 23 23 HIS CA C 13 55.203 0.023 . 1 . . . . . 294 H CA . 52555 1 93 . 1 . 1 23 23 HIS CB C 13 28.175 0.008 . 1 . . . . . 294 H CB . 52555 1 94 . 1 . 1 23 23 HIS N N 15 118.519 0.003 . 1 . . . . . 294 H N . 52555 1 95 . 1 . 1 24 24 LEU H H 1 7.397 0.001 . 1 . . . . . 295 L H . 52555 1 96 . 1 . 1 24 24 LEU CA C 13 58.584 0.015 . 1 . . . . . 295 L CA . 52555 1 97 . 1 . 1 24 24 LEU CB C 13 42.547 0.006 . 1 . . . . . 295 L CB . 52555 1 98 . 1 . 1 24 24 LEU N N 15 120.652 0.004 . 1 . . . . . 295 L N . 52555 1 99 . 1 . 1 25 25 THR H H 1 7.804 0.001 . 1 . . . . . 296 T H . 52555 1 100 . 1 . 1 25 25 THR CA C 13 63.272 0.016 . 1 . . . . . 296 T CA . 52555 1 101 . 1 . 1 25 25 THR CB C 13 68.992 0.026 . 1 . . . . . 296 T CB . 52555 1 102 . 1 . 1 25 25 THR N N 15 105.305 0.004 . 1 . . . . . 296 T N . 52555 1 103 . 1 . 1 26 26 HIS H H 1 7.625 0.001 . 1 . . . . . 297 H H . 52555 1 104 . 1 . 1 26 26 HIS CA C 13 55.205 0.000 . 1 . . . . . 297 H CA . 52555 1 105 . 1 . 1 26 26 HIS CB C 13 29.106 0.000 . 1 . . . . . 297 H CB . 52555 1 106 . 1 . 1 26 26 HIS N N 15 116.878 0.003 . 1 . . . . . 297 H N . 52555 1 107 . 1 . 1 27 27 PRO CA C 13 64.309 0.010 . 1 . . . . . 298 P CA . 52555 1 108 . 1 . 1 27 27 PRO CB C 13 28.570 0.012 . 1 . . . . . 298 P CB . 52555 1 109 . 1 . 1 28 28 TYR H H 1 8.342 0.002 . 1 . . . . . 299 Y H . 52555 1 110 . 1 . 1 28 28 TYR CA C 13 54.795 0.000 . 1 . . . . . 299 Y CA . 52555 1 111 . 1 . 1 28 28 TYR CB C 13 39.686 0.000 . 1 . . . . . 299 Y CB . 52555 1 112 . 1 . 1 28 28 TYR N N 15 120.633 0.009 . 1 . . . . . 299 Y N . 52555 1 113 . 1 . 1 29 29 PRO CA C 13 62.079 0.014 . 1 . . . . . 300 P CA . 52555 1 114 . 1 . 1 29 29 PRO CB C 13 30.568 0.008 . 1 . . . . . 300 P CB . 52555 1 115 . 1 . 1 30 30 SER H H 1 9.349 0.001 . 1 . . . . . 301 S H . 52555 1 116 . 1 . 1 30 30 SER CA C 13 57.022 0.005 . 1 . . . . . 301 S CA . 52555 1 117 . 1 . 1 30 30 SER CB C 13 65.224 0.011 . 1 . . . . . 301 S CB . 52555 1 118 . 1 . 1 30 30 SER N N 15 120.544 0.010 . 1 . . . . . 301 S N . 52555 1 119 . 1 . 1 31 31 GLU H H 1 9.114 0.001 . 1 . . . . . 302 E H . 52555 1 120 . 1 . 1 31 31 GLU CA C 13 60.302 0.023 . 1 . . . . . 302 E CA . 52555 1 121 . 1 . 1 31 31 GLU CB C 13 28.603 0.018 . 1 . . . . . 302 E CB . 52555 1 122 . 1 . 1 31 31 GLU N N 15 120.653 0.005 . 1 . . . . . 302 E N . 52555 1 123 . 1 . 1 32 32 GLU H H 1 8.636 0.000 . 1 . . . . . 303 E H . 52555 1 124 . 1 . 1 32 32 GLU CA C 13 59.876 0.015 . 1 . . . . . 303 E CA . 52555 1 125 . 1 . 1 32 32 GLU CB C 13 29.244 0.014 . 1 . . . . . 303 E CB . 52555 1 126 . 1 . 1 32 32 GLU N N 15 118.877 0.003 . 1 . . . . . 303 E N . 52555 1 127 . 1 . 1 33 33 GLN H H 1 7.824 0.001 . 1 . . . . . 304 Q H . 52555 1 128 . 1 . 1 33 33 GLN HE21 H 1 7.282 0.000 . 1 . . . . . 304 Q HE21 . 52555 1 129 . 1 . 1 33 33 GLN HE22 H 1 7.669 0.000 . 1 . . . . . 304 Q HE22 . 52555 1 130 . 1 . 1 33 33 GLN CA C 13 58.427 0.012 . 1 . . . . . 304 Q CA . 52555 1 131 . 1 . 1 33 33 GLN CB C 13 27.911 0.011 . 1 . . . . . 304 Q CB . 52555 1 132 . 1 . 1 33 33 GLN N N 15 120.205 0.005 . 1 . . . . . 304 Q N . 52555 1 133 . 1 . 1 33 33 GLN NE2 N 15 112.158 0.001 . 1 . . . . . 304 Q NE2 . 52555 1 134 . 1 . 1 34 34 LYS H H 1 8.719 0.001 . 1 . . . . . 305 K H . 52555 1 135 . 1 . 1 34 34 LYS CA C 13 60.810 0.047 . 1 . . . . . 305 K CA . 52555 1 136 . 1 . 1 34 34 LYS CB C 13 32.916 0.013 . 1 . . . . . 305 K CB . 52555 1 137 . 1 . 1 34 34 LYS N N 15 119.559 0.008 . 1 . . . . . 305 K N . 52555 1 138 . 1 . 1 35 35 LYS H H 1 7.672 0.003 . 1 . . . . . 306 K H . 52555 1 139 . 1 . 1 35 35 LYS CA C 13 59.909 0.032 . 1 . . . . . 306 K CA . 52555 1 140 . 1 . 1 35 35 LYS CB C 13 32.226 0.011 . 1 . . . . . 306 K CB . 52555 1 141 . 1 . 1 35 35 LYS N N 15 118.428 0.018 . 1 . . . . . 306 K N . 52555 1 142 . 1 . 1 36 36 GLN H H 1 7.687 0.001 . 1 . . . . . 307 Q H . 52555 1 143 . 1 . 1 36 36 GLN HE21 H 1 6.744 0.000 . 1 . . . . . 307 Q HE21 . 52555 1 144 . 1 . 1 36 36 GLN HE22 H 1 7.964 0.000 . 1 . . . . . 307 Q HE22 . 52555 1 145 . 1 . 1 36 36 GLN CA C 13 58.584 0.018 . 1 . . . . . 307 Q CA . 52555 1 146 . 1 . 1 36 36 GLN CB C 13 28.234 0.006 . 1 . . . . . 307 Q CB . 52555 1 147 . 1 . 1 36 36 GLN N N 15 120.450 0.005 . 1 . . . . . 307 Q N . 52555 1 148 . 1 . 1 36 36 GLN NE2 N 15 114.940 0.000 . 1 . . . . . 307 Q NE2 . 52555 1 149 . 1 . 1 37 37 LEU H H 1 8.385 0.001 . 1 . . . . . 308 L H . 52555 1 150 . 1 . 1 37 37 LEU CA C 13 57.982 0.014 . 1 . . . . . 308 L CA . 52555 1 151 . 1 . 1 37 37 LEU CB C 13 42.779 0.003 . 1 . . . . . 308 L CB . 52555 1 152 . 1 . 1 37 37 LEU N N 15 119.410 0.003 . 1 . . . . . 308 L N . 52555 1 153 . 1 . 1 38 38 ALA H H 1 8.592 0.001 . 1 . . . . . 309 A H . 52555 1 154 . 1 . 1 38 38 ALA CA C 13 55.921 0.028 . 1 . . . . . 309 A CA . 52555 1 155 . 1 . 1 38 38 ALA CB C 13 17.744 0.044 . 1 . . . . . 309 A CB . 52555 1 156 . 1 . 1 38 38 ALA N N 15 124.868 0.005 . 1 . . . . . 309 A N . 52555 1 157 . 1 . 1 39 39 GLN H H 1 7.796 0.002 . 1 . . . . . 310 Q H . 52555 1 158 . 1 . 1 39 39 GLN HE21 H 1 6.848 0.000 . 1 . . . . . 310 Q HE21 . 52555 1 159 . 1 . 1 39 39 GLN HE22 H 1 7.507 0.000 . 1 . . . . . 310 Q HE22 . 52555 1 160 . 1 . 1 39 39 GLN CA C 13 58.926 0.010 . 1 . . . . . 310 Q CA . 52555 1 161 . 1 . 1 39 39 GLN CB C 13 28.357 0.018 . 1 . . . . . 310 Q CB . 52555 1 162 . 1 . 1 39 39 GLN N N 15 118.216 0.062 . 1 . . . . . 310 Q N . 52555 1 163 . 1 . 1 39 39 GLN NE2 N 15 111.862 0.009 . 1 . . . . . 310 Q NE2 . 52555 1 164 . 1 . 1 40 40 ASP H H 1 8.604 0.001 . 1 . . . . . 311 D H . 52555 1 165 . 1 . 1 40 40 ASP CA C 13 57.030 0.008 . 1 . . . . . 311 D CA . 52555 1 166 . 1 . 1 40 40 ASP CB C 13 41.112 0.007 . 1 . . . . . 311 D CB . 52555 1 167 . 1 . 1 40 40 ASP N N 15 118.099 0.009 . 1 . . . . . 311 D N . 52555 1 168 . 1 . 1 41 41 THR H H 1 7.904 0.001 . 1 . . . . . 312 T H . 52555 1 169 . 1 . 1 41 41 THR CA C 13 62.882 0.015 . 1 . . . . . 312 T CA . 52555 1 170 . 1 . 1 41 41 THR CB C 13 71.786 0.022 . 1 . . . . . 312 T CB . 52555 1 171 . 1 . 1 41 41 THR N N 15 105.755 0.005 . 1 . . . . . 312 T N . 52555 1 172 . 1 . 1 42 42 GLY H H 1 8.036 0.001 . 1 . . . . . 313 G H . 52555 1 173 . 1 . 1 42 42 GLY CA C 13 45.870 0.001 . 1 . . . . . 313 G CA . 52555 1 174 . 1 . 1 42 42 GLY N N 15 110.934 0.004 . 1 . . . . . 313 G N . 52555 1 175 . 1 . 1 43 43 LEU H H 1 7.741 0.001 . 1 . . . . . 314 L H . 52555 1 176 . 1 . 1 43 43 LEU CA C 13 53.641 0.012 . 1 . . . . . 314 L CA . 52555 1 177 . 1 . 1 43 43 LEU CB C 13 43.417 0.007 . 1 . . . . . 314 L CB . 52555 1 178 . 1 . 1 43 43 LEU N N 15 121.920 0.005 . 1 . . . . . 314 L N . 52555 1 179 . 1 . 1 44 44 THR H H 1 8.458 0.001 . 1 . . . . . 315 T H . 52555 1 180 . 1 . 1 44 44 THR CA C 13 60.480 0.012 . 1 . . . . . 315 T CA . 52555 1 181 . 1 . 1 44 44 THR CB C 13 71.275 0.016 . 1 . . . . . 315 T CB . 52555 1 182 . 1 . 1 44 44 THR N N 15 108.005 0.006 . 1 . . . . . 315 T N . 52555 1 183 . 1 . 1 45 45 ILE H H 1 8.705 0.001 . 1 . . . . . 316 I H . 52555 1 184 . 1 . 1 45 45 ILE CA C 13 65.214 0.008 . 1 . . . . . 316 I CA . 52555 1 185 . 1 . 1 45 45 ILE CB C 13 37.555 0.011 . 1 . . . . . 316 I CB . 52555 1 186 . 1 . 1 45 45 ILE N N 15 120.198 0.011 . 1 . . . . . 316 I N . 52555 1 187 . 1 . 1 46 46 LEU H H 1 7.780 0.002 . 1 . . . . . 317 L H . 52555 1 188 . 1 . 1 46 46 LEU CA C 13 58.363 0.018 . 1 . . . . . 317 L CA . 52555 1 189 . 1 . 1 46 46 LEU CB C 13 42.012 0.012 . 1 . . . . . 317 L CB . 52555 1 190 . 1 . 1 46 46 LEU N N 15 120.525 0.007 . 1 . . . . . 317 L N . 52555 1 191 . 1 . 1 47 47 GLN H H 1 7.759 0.003 . 1 . . . . . 318 Q H . 52555 1 192 . 1 . 1 47 47 GLN HE21 H 1 6.790 0.000 . 1 . . . . . 318 Q HE21 . 52555 1 193 . 1 . 1 47 47 GLN HE22 H 1 7.576 0.000 . 1 . . . . . 318 Q HE22 . 52555 1 194 . 1 . 1 47 47 GLN CA C 13 59.333 0.001 . 1 . . . . . 318 Q CA . 52555 1 195 . 1 . 1 47 47 GLN CB C 13 29.654 0.008 . 1 . . . . . 318 Q CB . 52555 1 196 . 1 . 1 47 47 GLN N N 15 118.528 0.016 . 1 . . . . . 318 Q N . 52555 1 197 . 1 . 1 47 47 GLN NE2 N 15 111.353 0.004 . 1 . . . . . 318 Q NE2 . 52555 1 198 . 1 . 1 48 48 VAL H H 1 8.424 0.001 . 1 . . . . . 319 V H . 52555 1 199 . 1 . 1 48 48 VAL CA C 13 66.913 0.008 . 1 . . . . . 319 V CA . 52555 1 200 . 1 . 1 48 48 VAL CB C 13 32.262 0.006 . 1 . . . . . 319 V CB . 52555 1 201 . 1 . 1 48 48 VAL N N 15 121.213 0.027 . 1 . . . . . 319 V N . 52555 1 202 . 1 . 1 49 49 ASN H H 1 8.864 0.001 . 1 . . . . . 320 N H . 52555 1 203 . 1 . 1 49 49 ASN HD21 H 1 7.316 0.000 . 1 . . . . . 320 N HD21 . 52555 1 204 . 1 . 1 49 49 ASN HD22 H 1 7.508 0.000 . 1 . . . . . 320 N HD22 . 52555 1 205 . 1 . 1 49 49 ASN CA C 13 57.492 0.003 . 1 . . . . . 320 N CA . 52555 1 206 . 1 . 1 49 49 ASN CB C 13 39.519 0.025 . 1 . . . . . 320 N CB . 52555 1 207 . 1 . 1 49 49 ASN N N 15 117.944 0.014 . 1 . . . . . 320 N N . 52555 1 208 . 1 . 1 49 49 ASN ND2 N 15 114.975 0.000 . 1 . . . . . 320 N ND2 . 52555 1 209 . 1 . 1 50 50 ASN H H 1 8.684 0.002 . 1 . . . . . 321 N H . 52555 1 210 . 1 . 1 50 50 ASN HD21 H 1 6.868 0.000 . 1 . . . . . 321 N HD21 . 52555 1 211 . 1 . 1 50 50 ASN HD22 H 1 7.693 0.000 . 1 . . . . . 321 N HD22 . 52555 1 212 . 1 . 1 50 50 ASN CA C 13 56.032 0.002 . 1 . . . . . 321 N CA . 52555 1 213 . 1 . 1 50 50 ASN CB C 13 37.987 0.002 . 1 . . . . . 321 N CB . 52555 1 214 . 1 . 1 50 50 ASN N N 15 117.262 0.002 . 1 . . . . . 321 N N . 52555 1 215 . 1 . 1 50 50 ASN ND2 N 15 111.484 0.007 . 1 . . . . . 321 N ND2 . 52555 1 216 . 1 . 1 51 51 TRP H H 1 8.611 0.001 . 1 . . . . . 322 W H . 52555 1 217 . 1 . 1 51 51 TRP HE1 H 1 9.993 0.000 . 1 . . . . . 322 W HE1 . 52555 1 218 . 1 . 1 51 51 TRP CA C 13 63.231 0.029 . 1 . . . . . 322 W CA . 52555 1 219 . 1 . 1 51 51 TRP CB C 13 28.844 0.000 . 1 . . . . . 322 W CB . 52555 1 220 . 1 . 1 51 51 TRP N N 15 123.406 0.008 . 1 . . . . . 322 W N . 52555 1 221 . 1 . 1 51 51 TRP NE1 N 15 128.673 0.000 . 1 . . . . . 322 W NE1 . 52555 1 222 . 1 . 1 52 52 PHE H H 1 8.382 0.001 . 1 . . . . . 323 F H . 52555 1 223 . 1 . 1 52 52 PHE CA C 13 64.221 0.013 . 1 . . . . . 323 F CA . 52555 1 224 . 1 . 1 52 52 PHE CB C 13 39.299 0.029 . 1 . . . . . 323 F CB . 52555 1 225 . 1 . 1 52 52 PHE N N 15 117.536 0.005 . 1 . . . . . 323 F N . 52555 1 226 . 1 . 1 53 53 ILE H H 1 8.175 0.001 . 1 . . . . . 324 I H . 52555 1 227 . 1 . 1 53 53 ILE CA C 13 65.950 0.009 . 1 . . . . . 324 I CA . 52555 1 228 . 1 . 1 53 53 ILE CB C 13 38.532 0.031 . 1 . . . . . 324 I CB . 52555 1 229 . 1 . 1 53 53 ILE N N 15 120.411 0.013 . 1 . . . . . 324 I N . 52555 1 230 . 1 . 1 54 54 ASN H H 1 7.439 0.002 . 1 . . . . . 325 N H . 52555 1 231 . 1 . 1 54 54 ASN HD21 H 1 6.910 0.000 . 1 . . . . . 325 N HD21 . 52555 1 232 . 1 . 1 54 54 ASN HD22 H 1 7.468 0.000 . 1 . . . . . 325 N HD22 . 52555 1 233 . 1 . 1 54 54 ASN CA C 13 56.143 0.018 . 1 . . . . . 325 N CA . 52555 1 234 . 1 . 1 54 54 ASN CB C 13 38.622 0.004 . 1 . . . . . 325 N CB . 52555 1 235 . 1 . 1 54 54 ASN N N 15 116.886 0.010 . 1 . . . . . 325 N N . 52555 1 236 . 1 . 1 54 54 ASN ND2 N 15 114.051 0.001 . 1 . . . . . 325 N ND2 . 52555 1 237 . 1 . 1 55 55 ALA H H 1 8.381 0.001 . 1 . . . . . 326 A H . 52555 1 238 . 1 . 1 55 55 ALA CA C 13 54.745 0.021 . 1 . . . . . 326 A CA . 52555 1 239 . 1 . 1 55 55 ALA CB C 13 18.490 0.005 . 1 . . . . . 326 A CB . 52555 1 240 . 1 . 1 55 55 ALA N N 15 123.106 0.019 . 1 . . . . . 326 A N . 52555 1 241 . 1 . 1 56 56 ARG H H 1 8.180 0.001 . 1 . . . . . 327 R H . 52555 1 242 . 1 . 1 56 56 ARG CA C 13 60.087 0.012 . 1 . . . . . 327 R CA . 52555 1 243 . 1 . 1 56 56 ARG CB C 13 31.032 0.007 . 1 . . . . . 327 R CB . 52555 1 244 . 1 . 1 56 56 ARG N N 15 116.023 0.004 . 1 . . . . . 327 R N . 52555 1 245 . 1 . 1 57 57 ARG H H 1 7.219 0.002 . 1 . . . . . 328 R H . 52555 1 246 . 1 . 1 57 57 ARG CA C 13 58.344 0.019 . 1 . . . . . 328 R CA . 52555 1 247 . 1 . 1 57 57 ARG CB C 13 30.414 0.009 . 1 . . . . . 328 R CB . 52555 1 248 . 1 . 1 57 57 ARG N N 15 117.398 0.013 . 1 . . . . . 328 R N . 52555 1 249 . 1 . 1 58 58 ARG H H 1 7.699 0.001 . 1 . . . . . 329 R H . 52555 1 250 . 1 . 1 58 58 ARG CA C 13 56.896 0.023 . 1 . . . . . 329 R CA . 52555 1 251 . 1 . 1 58 58 ARG CB C 13 31.185 0.018 . 1 . . . . . 329 R CB . 52555 1 252 . 1 . 1 58 58 ARG N N 15 115.978 0.009 . 1 . . . . . 329 R N . 52555 1 253 . 1 . 1 59 59 ILE H H 1 7.820 0.002 . 1 . . . . . 330 I H . 52555 1 254 . 1 . 1 59 59 ILE CA C 13 62.474 0.034 . 1 . . . . . 330 I CA . 52555 1 255 . 1 . 1 59 59 ILE CB C 13 38.974 0.006 . 1 . . . . . 330 I CB . 52555 1 256 . 1 . 1 59 59 ILE N N 15 117.934 0.009 . 1 . . . . . 330 I N . 52555 1 257 . 1 . 1 60 60 VAL H H 1 7.754 0.001 . 1 . . . . . 331 V H . 52555 1 258 . 1 . 1 60 60 VAL CA C 13 63.483 0.029 . 1 . . . . . 331 V CA . 52555 1 259 . 1 . 1 60 60 VAL CB C 13 32.309 0.022 . 1 . . . . . 331 V CB . 52555 1 260 . 1 . 1 60 60 VAL N N 15 120.584 0.011 . 1 . . . . . 331 V N . 52555 1 261 . 1 . 1 61 61 GLN H H 1 8.272 0.000 . 1 . . . . . 332 Q H . 52555 1 262 . 1 . 1 61 61 GLN HE21 H 1 6.860 0.000 . 1 . . . . . 332 Q HE21 . 52555 1 263 . 1 . 1 61 61 GLN HE22 H 1 7.623 0.000 . 1 . . . . . 332 Q HE22 . 52555 1 264 . 1 . 1 61 61 GLN CA C 13 55.684 0.000 . 1 . . . . . 332 Q CA . 52555 1 265 . 1 . 1 61 61 GLN CB C 13 28.147 0.000 . 1 . . . . . 332 Q CB . 52555 1 266 . 1 . 1 61 61 GLN N N 15 123.017 0.008 . 1 . . . . . 332 Q N . 52555 1 267 . 1 . 1 61 61 GLN NE2 N 15 112.733 0.001 . 1 . . . . . 332 Q NE2 . 52555 1 268 . 1 . 1 62 62 PRO CA C 13 64.026 0.021 . 1 . . . . . 333 P CA . 52555 1 269 . 1 . 1 62 62 PRO CB C 13 31.874 0.012 . 1 . . . . . 333 P CB . 52555 1 270 . 1 . 1 63 63 MET H H 1 8.118 0.001 . 1 . . . . . 334 M H . 52555 1 271 . 1 . 1 63 63 MET CA C 13 56.343 0.005 . 1 . . . . . 334 M CA . 52555 1 272 . 1 . 1 63 63 MET CB C 13 32.955 0.015 . 1 . . . . . 334 M CB . 52555 1 273 . 1 . 1 63 63 MET N N 15 118.743 0.006 . 1 . . . . . 334 M N . 52555 1 274 . 1 . 1 64 64 ILE H H 1 8.055 0.001 . 1 . . . . . 335 I H . 52555 1 275 . 1 . 1 64 64 ILE CA C 13 61.815 0.007 . 1 . . . . . 335 I CA . 52555 1 276 . 1 . 1 64 64 ILE CB C 13 38.729 0.012 . 1 . . . . . 335 I CB . 52555 1 277 . 1 . 1 64 64 ILE N N 15 121.461 0.004 . 1 . . . . . 335 I N . 52555 1 278 . 1 . 1 65 65 ASP H H 1 8.423 0.000 . 1 . . . . . 336 D H . 52555 1 279 . 1 . 1 65 65 ASP CA C 13 54.820 0.002 . 1 . . . . . 336 D CA . 52555 1 280 . 1 . 1 65 65 ASP CB C 13 41.103 0.001 . 1 . . . . . 336 D CB . 52555 1 281 . 1 . 1 65 65 ASP N N 15 123.464 0.011 . 1 . . . . . 336 D N . 52555 1 282 . 1 . 1 66 66 GLN H H 1 8.307 0.002 . 1 . . . . . 337 Q H . 52555 1 283 . 1 . 1 66 66 GLN CA C 13 56.251 0.010 . 1 . . . . . 337 Q CA . 52555 1 284 . 1 . 1 66 66 GLN CB C 13 29.118 0.007 . 1 . . . . . 337 Q CB . 52555 1 285 . 1 . 1 66 66 GLN N N 15 120.854 0.007 . 1 . . . . . 337 Q N . 52555 1 286 . 1 . 1 67 67 SER H H 1 8.320 0.001 . 1 . . . . . 338 S H . 52555 1 287 . 1 . 1 67 67 SER CA C 13 59.281 0.018 . 1 . . . . . 338 S CA . 52555 1 288 . 1 . 1 67 67 SER CB C 13 63.790 0.005 . 1 . . . . . 338 S CB . 52555 1 289 . 1 . 1 67 67 SER N N 15 116.097 0.004 . 1 . . . . . 338 S N . 52555 1 290 . 1 . 1 68 68 ASN H H 1 8.293 0.001 . 1 . . . . . 339 N H . 52555 1 291 . 1 . 1 68 68 ASN HD21 H 1 6.897 0.000 . 1 . . . . . 339 N HD21 . 52555 1 292 . 1 . 1 68 68 ASN HD22 H 1 7.672 0.000 . 1 . . . . . 339 N HD22 . 52555 1 293 . 1 . 1 68 68 ASN CA C 13 53.392 0.008 . 1 . . . . . 339 N CA . 52555 1 294 . 1 . 1 68 68 ASN CB C 13 38.923 0.003 . 1 . . . . . 339 N CB . 52555 1 295 . 1 . 1 68 68 ASN N N 15 120.562 0.012 . 1 . . . . . 339 N N . 52555 1 296 . 1 . 1 68 68 ASN ND2 N 15 111.481 0.001 . 1 . . . . . 339 N ND2 . 52555 1 297 . 1 . 1 69 69 ARG H H 1 7.792 0.001 . 1 . . . . . 340 R H . 52555 1 298 . 1 . 1 69 69 ARG CA C 13 57.574 0.000 . 1 . . . . . 340 R CA . 52555 1 299 . 1 . 1 69 69 ARG CB C 13 31.501 0.000 . 1 . . . . . 340 R CB . 52555 1 300 . 1 . 1 69 69 ARG N N 15 125.909 0.006 . 1 . . . . . 340 R N . 52555 1 stop_ save_