data_50427 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50427 _Entry.Title ; FOXP2_247-341 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-06 _Entry.Accession_date 2020-08-06 _Entry.Last_release_date 2020-08-06 _Entry.Original_release_date 2020-08-06 _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 Gesa Richter . . . . 50427 2 Tobias Madl . . . . 50427 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50427 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 180 50427 '15N chemical shifts' 69 50427 '1H chemical shifts' 69 50427 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 . . 2021-06-30 . original BMRB . 50427 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50427 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33284517 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; b-catenin regulates FOXP2 transcriptional activity via multiple binding sites ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'FEBS Journal' _Citation.Journal_volume 288 _Citation.Journal_issue 10 _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 3261 _Citation.Page_last 3284 _Citation.Year 2021 _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 Gesa Richter G. . . . 50427 1 2 Tianshu Gui T. . . . 50427 1 3 Benjamin Bourgeois B. . . . 50427 1 4 Chintan Koyani C. N. . . 50427 1 5 Peter Ulz P. . . . 50427 1 6 Ellen Heitzer E. . . . 50427 1 7 Dirk 'von Lewinski' D. . . . 50427 1 8 Boudewijn Burgering . . . . 50427 1 9 Ernst Malle E. . . . 50427 1 10 Tobias Madl T. . . . 50427 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50427 _Assembly.ID 1 _Assembly.Name FOXP2_247-341 _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 FOXP2_247-341 1 $entity_1 . . yes native no no . . . 50427 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50427 _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 ; GQAALPVQSLPQAGLSPAEI QQLWKEVTGVHSMEDNGIKH GGLDLTTNNSSSTTSSNTSK ASPPITHHSIVNGQSSVLSA RRDSSSHEETGASHT ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 247 GLY . 50427 1 2 248 GLN . 50427 1 3 249 ALA . 50427 1 4 250 ALA . 50427 1 5 251 LEU . 50427 1 6 252 PRO . 50427 1 7 253 VAL . 50427 1 8 254 GLN . 50427 1 9 255 SER . 50427 1 10 256 LEU . 50427 1 11 257 PRO . 50427 1 12 258 GLN . 50427 1 13 259 ALA . 50427 1 14 260 GLY . 50427 1 15 261 LEU . 50427 1 16 262 SER . 50427 1 17 263 PRO . 50427 1 18 264 ALA . 50427 1 19 265 GLU . 50427 1 20 266 ILE . 50427 1 21 267 GLN . 50427 1 22 268 GLN . 50427 1 23 269 LEU . 50427 1 24 270 TRP . 50427 1 25 271 LYS . 50427 1 26 272 GLU . 50427 1 27 273 VAL . 50427 1 28 274 THR . 50427 1 29 275 GLY . 50427 1 30 276 VAL . 50427 1 31 277 HIS . 50427 1 32 278 SER . 50427 1 33 279 MET . 50427 1 34 280 GLU . 50427 1 35 281 ASP . 50427 1 36 282 ASN . 50427 1 37 283 GLY . 50427 1 38 284 ILE . 50427 1 39 285 LYS . 50427 1 40 286 HIS . 50427 1 41 287 GLY . 50427 1 42 288 GLY . 50427 1 43 289 LEU . 50427 1 44 290 ASP . 50427 1 45 291 LEU . 50427 1 46 292 THR . 50427 1 47 293 THR . 50427 1 48 294 ASN . 50427 1 49 295 ASN . 50427 1 50 296 SER . 50427 1 51 297 SER . 50427 1 52 298 SER . 50427 1 53 299 THR . 50427 1 54 300 THR . 50427 1 55 301 SER . 50427 1 56 302 SER . 50427 1 57 303 ASN . 50427 1 58 304 THR . 50427 1 59 305 SER . 50427 1 60 306 LYS . 50427 1 61 307 ALA . 50427 1 62 308 SER . 50427 1 63 309 PRO . 50427 1 64 310 PRO . 50427 1 65 311 ILE . 50427 1 66 312 THR . 50427 1 67 313 HIS . 50427 1 68 314 HIS . 50427 1 69 315 SER . 50427 1 70 316 ILE . 50427 1 71 317 VAL . 50427 1 72 318 ASN . 50427 1 73 319 GLY . 50427 1 74 320 GLN . 50427 1 75 321 SER . 50427 1 76 322 SER . 50427 1 77 323 VAL . 50427 1 78 324 LEU . 50427 1 79 325 SER . 50427 1 80 326 ALA . 50427 1 81 327 ARG . 50427 1 82 328 ARG . 50427 1 83 329 ASP . 50427 1 84 330 SER . 50427 1 85 331 SER . 50427 1 86 332 SER . 50427 1 87 333 HIS . 50427 1 88 334 GLU . 50427 1 89 335 GLU . 50427 1 90 336 THR . 50427 1 91 337 GLY . 50427 1 92 338 ALA . 50427 1 93 339 SER . 50427 1 94 340 HIS . 50427 1 95 341 THR . 50427 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50427 1 . GLN 2 2 50427 1 . ALA 3 3 50427 1 . ALA 4 4 50427 1 . LEU 5 5 50427 1 . PRO 6 6 50427 1 . VAL 7 7 50427 1 . GLN 8 8 50427 1 . SER 9 9 50427 1 . LEU 10 10 50427 1 . PRO 11 11 50427 1 . GLN 12 12 50427 1 . ALA 13 13 50427 1 . GLY 14 14 50427 1 . LEU 15 15 50427 1 . SER 16 16 50427 1 . PRO 17 17 50427 1 . ALA 18 18 50427 1 . GLU 19 19 50427 1 . ILE 20 20 50427 1 . GLN 21 21 50427 1 . GLN 22 22 50427 1 . LEU 23 23 50427 1 . TRP 24 24 50427 1 . LYS 25 25 50427 1 . GLU 26 26 50427 1 . VAL 27 27 50427 1 . THR 28 28 50427 1 . GLY 29 29 50427 1 . VAL 30 30 50427 1 . HIS 31 31 50427 1 . SER 32 32 50427 1 . MET 33 33 50427 1 . GLU 34 34 50427 1 . ASP 35 35 50427 1 . ASN 36 36 50427 1 . GLY 37 37 50427 1 . ILE 38 38 50427 1 . LYS 39 39 50427 1 . HIS 40 40 50427 1 . GLY 41 41 50427 1 . GLY 42 42 50427 1 . LEU 43 43 50427 1 . ASP 44 44 50427 1 . LEU 45 45 50427 1 . THR 46 46 50427 1 . THR 47 47 50427 1 . ASN 48 48 50427 1 . ASN 49 49 50427 1 . SER 50 50 50427 1 . SER 51 51 50427 1 . SER 52 52 50427 1 . THR 53 53 50427 1 . THR 54 54 50427 1 . SER 55 55 50427 1 . SER 56 56 50427 1 . ASN 57 57 50427 1 . THR 58 58 50427 1 . SER 59 59 50427 1 . LYS 60 60 50427 1 . ALA 61 61 50427 1 . SER 62 62 50427 1 . PRO 63 63 50427 1 . PRO 64 64 50427 1 . ILE 65 65 50427 1 . THR 66 66 50427 1 . HIS 67 67 50427 1 . HIS 68 68 50427 1 . SER 69 69 50427 1 . ILE 70 70 50427 1 . VAL 71 71 50427 1 . ASN 72 72 50427 1 . GLY 73 73 50427 1 . GLN 74 74 50427 1 . SER 75 75 50427 1 . SER 76 76 50427 1 . VAL 77 77 50427 1 . LEU 78 78 50427 1 . SER 79 79 50427 1 . ALA 80 80 50427 1 . ARG 81 81 50427 1 . ARG 82 82 50427 1 . ASP 83 83 50427 1 . SER 84 84 50427 1 . SER 85 85 50427 1 . SER 86 86 50427 1 . HIS 87 87 50427 1 . GLU 88 88 50427 1 . GLU 89 89 50427 1 . THR 90 90 50427 1 . GLY 91 91 50427 1 . ALA 92 92 50427 1 . SER 93 93 50427 1 . HIS 94 94 50427 1 . THR 95 95 50427 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 50427 _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 . . . . . . . . . . . . . 50427 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 50427 _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 . . petZ2_1a . . . 50427 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50427 _Sample.ID 1 _Sample.Name FOXP2_247-341 _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 FOXP2_247-341 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 50427 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50427 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50427 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 50427 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 50427 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50427 1 pH 6.5 . pH 50427 1 pressure 1 . atm 50427 1 temperature 298 . K 50427 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50427 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50427 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50427 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50427 2 processing . 50427 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50427 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50427 _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 . . . . . . . . . . . . . . . . . 50427 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50427 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50427 1 4 '3D HN(CA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50427 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 50427 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _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 glucose 'methyl carbon' . . . . ppm 42.7 internal direct 1 . . . . . 50427 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50427 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 117 internal direct 1 . . . . . 50427 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 50427 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shiftlist _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' . . . 50427 1 2 '3D CBCA(CO)NH' . . . 50427 1 3 '3D HNCACB' . . . 50427 1 4 '3D HN(CA)NNH' . . . 50427 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 . . 50427 1 2 $software_2 . . 50427 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 11 11 PRO C C 13 176.904 0.000 . . . . . . . 257 P C . 50427 1 2 . 1 . 1 11 11 PRO CA C 13 63.318 0.000 . . . . . . . 257 P CA . 50427 1 3 . 1 . 1 11 11 PRO CB C 13 31.938 0.000 . . . . . . . 257 P CB . 50427 1 4 . 1 . 1 12 12 GLN H H 1 8.338 0.004 . . . . . . . 258 Q HN . 50427 1 5 . 1 . 1 12 12 GLN C C 13 175.705 0.004 . . . . . . . 258 Q C . 50427 1 6 . 1 . 1 12 12 GLN CA C 13 55.892 0.091 . . . . . . . 258 Q CA . 50427 1 7 . 1 . 1 12 12 GLN CB C 13 29.466 0.053 . . . . . . . 258 Q CB . 50427 1 8 . 1 . 1 12 12 GLN N N 15 120.166 0.008 . . . . . . . 258 Q N . 50427 1 9 . 1 . 1 13 13 ALA H H 1 8.205 0.005 . . . . . . . 259 A HN . 50427 1 10 . 1 . 1 13 13 ALA C C 13 178.052 0.008 . . . . . . . 259 A C . 50427 1 11 . 1 . 1 13 13 ALA CA C 13 52.833 0.047 . . . . . . . 259 A CA . 50427 1 12 . 1 . 1 13 13 ALA CB C 13 19.219 0.009 . . . . . . . 259 A CB . 50427 1 13 . 1 . 1 13 13 ALA N N 15 124.879 0.021 . . . . . . . 259 A N . 50427 1 14 . 1 . 1 14 14 GLY H H 1 8.285 0.006 . . . . . . . 260 G HN . 50427 1 15 . 1 . 1 14 14 GLY C C 13 173.880 0.012 . . . . . . . 260 G C . 50427 1 16 . 1 . 1 14 14 GLY CA C 13 45.270 0.061 . . . . . . . 260 G CA . 50427 1 17 . 1 . 1 14 14 GLY N N 15 107.992 0.034 . . . . . . . 260 G N . 50427 1 18 . 1 . 1 15 15 LEU H H 1 7.822 0.004 . . . . . . . 261 L HN . 50427 1 19 . 1 . 1 15 15 LEU C C 13 177.085 0.011 . . . . . . . 261 L C . 50427 1 20 . 1 . 1 15 15 LEU CA C 13 54.733 0.000 . . . . . . . 261 L CA . 50427 1 21 . 1 . 1 15 15 LEU CB C 13 43.051 0.036 . . . . . . . 261 L CB . 50427 1 22 . 1 . 1 15 15 LEU N N 15 120.980 0.025 . . . . . . . 261 L N . 50427 1 23 . 1 . 1 16 16 SER H H 1 8.710 0.011 . . . . . . . 262 S HN . 50427 1 24 . 1 . 1 16 16 SER C C 13 172.984 0.000 . . . . . . . 262 S C . 50427 1 25 . 1 . 1 16 16 SER CA C 13 56.561 0.000 . . . . . . . 262 S CA . 50427 1 26 . 1 . 1 16 16 SER CB C 13 63.334 0.000 . . . . . . . 262 S CB . 50427 1 27 . 1 . 1 16 16 SER N N 15 119.139 0.024 . . . . . . . 262 S N . 50427 1 28 . 1 . 1 17 17 PRO C C 13 178.039 0.000 . . . . . . . 263 P C . 50427 1 29 . 1 . 1 17 17 PRO CA C 13 62.663 0.000 . . . . . . . 263 P CA . 50427 1 30 . 1 . 1 17 17 PRO CB C 13 31.808 0.000 . . . . . . . 263 P CB . 50427 1 31 . 1 . 1 18 18 ALA H H 1 8.137 0.006 . . . . . . . 264 A HN . 50427 1 32 . 1 . 1 18 18 ALA C C 13 179.367 0.006 . . . . . . . 264 A C . 50427 1 33 . 1 . 1 18 18 ALA CA C 13 54.047 0.017 . . . . . . . 264 A CA . 50427 1 34 . 1 . 1 18 18 ALA CB C 13 18.686 0.017 . . . . . . . 264 A CB . 50427 1 35 . 1 . 1 18 18 ALA N N 15 120.639 0.024 . . . . . . . 264 A N . 50427 1 36 . 1 . 1 19 19 GLU H H 1 7.906 0.004 . . . . . . . 265 E HN . 50427 1 37 . 1 . 1 19 19 GLU C C 13 178.123 0.000 . . . . . . . 265 E C . 50427 1 38 . 1 . 1 19 19 GLU CA C 13 57.972 0.021 . . . . . . . 265 E CA . 50427 1 39 . 1 . 1 19 19 GLU CB C 13 30.391 0.013 . . . . . . . 265 E CB . 50427 1 40 . 1 . 1 19 19 GLU N N 15 119.174 0.017 . . . . . . . 265 E N . 50427 1 41 . 1 . 1 20 20 ILE H H 1 8.080 0.005 . . . . . . . 266 I HN . 50427 1 42 . 1 . 1 20 20 ILE C C 13 177.192 0.006 . . . . . . . 266 I C . 50427 1 43 . 1 . 1 20 20 ILE CA C 13 63.241 0.000 . . . . . . . 266 I CA . 50427 1 44 . 1 . 1 20 20 ILE CB C 13 38.191 0.003 . . . . . . . 266 I CB . 50427 1 45 . 1 . 1 20 20 ILE N N 15 121.297 0.033 . . . . . . . 266 I N . 50427 1 46 . 1 . 1 21 21 GLN H H 1 8.031 0.004 . . . . . . . 267 Q HN . 50427 1 47 . 1 . 1 21 21 GLN C C 13 177.035 0.003 . . . . . . . 267 Q C . 50427 1 48 . 1 . 1 21 21 GLN CA C 13 56.963 0.000 . . . . . . . 267 Q CA . 50427 1 49 . 1 . 1 21 21 GLN CB C 13 28.747 0.000 . . . . . . . 267 Q CB . 50427 1 50 . 1 . 1 21 21 GLN N N 15 120.593 0.037 . . . . . . . 267 Q N . 50427 1 51 . 1 . 1 22 22 GLN H H 1 7.887 0.006 . . . . . . . 268 Q HN . 50427 1 52 . 1 . 1 22 22 GLN C C 13 176.650 0.004 . . . . . . . 268 Q C . 50427 1 53 . 1 . 1 22 22 GLN CA C 13 56.960 0.000 . . . . . . . 268 Q CA . 50427 1 54 . 1 . 1 22 22 GLN CB C 13 28.683 0.011 . . . . . . . 268 Q CB . 50427 1 55 . 1 . 1 22 22 GLN N N 15 119.323 0.009 . . . . . . . 268 Q N . 50427 1 56 . 1 . 1 23 23 LEU H H 1 7.885 0.005 . . . . . . . 269 L HN . 50427 1 57 . 1 . 1 23 23 LEU C C 13 177.810 0.005 . . . . . . . 269 L C . 50427 1 58 . 1 . 1 23 23 LEU CA C 13 56.342 0.043 . . . . . . . 269 L CA . 50427 1 59 . 1 . 1 23 23 LEU CB C 13 42.058 0.015 . . . . . . . 269 L CB . 50427 1 60 . 1 . 1 23 23 LEU N N 15 121.398 0.026 . . . . . . . 269 L N . 50427 1 61 . 1 . 1 24 24 TRP H H 1 7.928 0.009 . . . . . . . 270 W HN . 50427 1 62 . 1 . 1 24 24 TRP C C 13 176.648 0.003 . . . . . . . 270 W C . 50427 1 63 . 1 . 1 24 24 TRP CA C 13 57.977 0.011 . . . . . . . 270 W CA . 50427 1 64 . 1 . 1 24 24 TRP CB C 13 29.106 0.007 . . . . . . . 270 W CB . 50427 1 65 . 1 . 1 24 24 TRP N N 15 119.896 0.015 . . . . . . . 270 W N . 50427 1 66 . 1 . 1 25 25 LYS H H 1 7.752 0.007 . . . . . . . 271 K HN . 50427 1 67 . 1 . 1 25 25 LYS C C 13 176.528 0.004 . . . . . . . 271 K C . 50427 1 68 . 1 . 1 25 25 LYS CA C 13 57.046 0.020 . . . . . . . 271 K CA . 50427 1 69 . 1 . 1 25 25 LYS CB C 13 32.984 0.025 . . . . . . . 271 K CB . 50427 1 70 . 1 . 1 25 25 LYS N N 15 121.516 0.010 . . . . . . . 271 K N . 50427 1 71 . 1 . 1 26 26 GLU H H 1 8.037 0.005 . . . . . . . 272 E HN . 50427 1 72 . 1 . 1 26 26 GLU C C 13 176.922 0.004 . . . . . . . 272 E C . 50427 1 73 . 1 . 1 26 26 GLU CA C 13 57.020 0.006 . . . . . . . 272 E CA . 50427 1 74 . 1 . 1 26 26 GLU CB C 13 29.984 0.013 . . . . . . . 272 E CB . 50427 1 75 . 1 . 1 26 26 GLU N N 15 120.553 0.026 . . . . . . . 272 E N . 50427 1 76 . 1 . 1 27 27 VAL H H 1 8.083 0.004 . . . . . . . 273 V HN . 50427 1 77 . 1 . 1 27 27 VAL C C 13 176.579 0.011 . . . . . . . 273 V C . 50427 1 78 . 1 . 1 27 27 VAL CA C 13 62.908 0.000 . . . . . . . 273 V CA . 50427 1 79 . 1 . 1 27 27 VAL CB C 13 32.442 0.005 . . . . . . . 273 V CB . 50427 1 80 . 1 . 1 27 27 VAL N N 15 120.287 0.020 . . . . . . . 273 V N . 50427 1 81 . 1 . 1 28 28 THR H H 1 8.027 0.008 . . . . . . . 274 T HN . 50427 1 82 . 1 . 1 28 28 THR C C 13 175.088 0.003 . . . . . . . 274 T C . 50427 1 83 . 1 . 1 28 28 THR CA C 13 62.236 0.053 . . . . . . . 274 T CA . 50427 1 84 . 1 . 1 28 28 THR CB C 13 69.886 0.089 . . . . . . . 274 T CB . 50427 1 85 . 1 . 1 28 28 THR N N 15 115.975 0.070 . . . . . . . 274 T N . 50427 1 86 . 1 . 1 29 29 GLY H H 1 8.171 0.008 . . . . . . . 275 G HN . 50427 1 87 . 1 . 1 29 29 GLY C C 13 173.989 0.003 . . . . . . . 275 G C . 50427 1 88 . 1 . 1 29 29 GLY CA C 13 45.347 0.009 . . . . . . . 275 G CA . 50427 1 89 . 1 . 1 29 29 GLY N N 15 110.800 0.048 . . . . . . . 275 G N . 50427 1 90 . 1 . 1 30 30 VAL H H 1 7.839 0.005 . . . . . . . 276 V HN . 50427 1 91 . 1 . 1 30 30 VAL C C 13 176.005 0.002 . . . . . . . 276 V C . 50427 1 92 . 1 . 1 30 30 VAL CA C 13 62.594 0.007 . . . . . . . 276 V CA . 50427 1 93 . 1 . 1 30 30 VAL CB C 13 32.470 0.020 . . . . . . . 276 V CB . 50427 1 94 . 1 . 1 30 30 VAL N N 15 119.116 0.030 . . . . . . . 276 V N . 50427 1 95 . 1 . 1 31 31 HIS H H 1 8.389 0.010 . . . . . . . 277 H HN . 50427 1 96 . 1 . 1 31 31 HIS CA C 13 55.633 0.000 . . . . . . . 277 H CA . 50427 1 97 . 1 . 1 31 31 HIS CB C 13 30.059 0.000 . . . . . . . 277 H CB . 50427 1 98 . 1 . 1 31 31 HIS N N 15 122.537 0.030 . . . . . . . 277 H N . 50427 1 99 . 1 . 1 32 32 SER H H 1 8.232 0.004 . . . . . . . 278 S HN . 50427 1 100 . 1 . 1 32 32 SER C C 13 174.533 0.000 . . . . . . . 278 S C . 50427 1 101 . 1 . 1 32 32 SER CA C 13 58.336 0.022 . . . . . . . 278 S CA . 50427 1 102 . 1 . 1 32 32 SER CB C 13 63.841 0.003 . . . . . . . 278 S CB . 50427 1 103 . 1 . 1 32 32 SER N N 15 117.207 0.029 . . . . . . . 278 S N . 50427 1 104 . 1 . 1 33 33 MET H H 1 8.445 0.004 . . . . . . . 279 M HN . 50427 1 105 . 1 . 1 33 33 MET C C 13 176.260 0.016 . . . . . . . 279 M C . 50427 1 106 . 1 . 1 33 33 MET CA C 13 55.665 0.029 . . . . . . . 279 M CA . 50427 1 107 . 1 . 1 33 33 MET CB C 13 32.640 0.037 . . . . . . . 279 M CB . 50427 1 108 . 1 . 1 33 33 MET N N 15 122.190 0.069 . . . . . . . 279 M N . 50427 1 109 . 1 . 1 34 34 GLU H H 1 8.293 0.005 . . . . . . . 280 E HN . 50427 1 110 . 1 . 1 34 34 GLU C C 13 176.152 0.001 . . . . . . . 280 E C . 50427 1 111 . 1 . 1 34 34 GLU CA C 13 56.734 0.037 . . . . . . . 280 E CA . 50427 1 112 . 1 . 1 34 34 GLU CB C 13 30.165 0.035 . . . . . . . 280 E CB . 50427 1 113 . 1 . 1 34 34 GLU N N 15 121.279 0.023 . . . . . . . 280 E N . 50427 1 114 . 1 . 1 35 35 ASP H H 1 8.248 0.005 . . . . . . . 281 D HN . 50427 1 115 . 1 . 1 35 35 ASP C C 13 176.144 0.009 . . . . . . . 281 D C . 50427 1 116 . 1 . 1 35 35 ASP CA C 13 54.276 0.044 . . . . . . . 281 D CA . 50427 1 117 . 1 . 1 35 35 ASP CB C 13 41.112 0.030 . . . . . . . 281 D CB . 50427 1 118 . 1 . 1 35 35 ASP N N 15 121.397 0.024 . . . . . . . 281 D N . 50427 1 119 . 1 . 1 36 36 ASN H H 1 8.331 0.005 . . . . . . . 282 N HN . 50427 1 120 . 1 . 1 36 36 ASN C C 13 175.864 0.025 . . . . . . . 282 N C . 50427 1 121 . 1 . 1 36 36 ASN CA C 13 53.554 0.075 . . . . . . . 282 N CA . 50427 1 122 . 1 . 1 36 36 ASN CB C 13 38.753 0.093 . . . . . . . 282 N CB . 50427 1 123 . 1 . 1 36 36 ASN N N 15 119.722 0.035 . . . . . . . 282 N N . 50427 1 124 . 1 . 1 37 37 GLY H H 1 8.383 0.004 . . . . . . . 283 G HN . 50427 1 125 . 1 . 1 37 37 GLY C C 13 174.162 0.005 . . . . . . . 283 G C . 50427 1 126 . 1 . 1 37 37 GLY CA C 13 45.571 0.004 . . . . . . . 283 G CA . 50427 1 127 . 1 . 1 37 37 GLY N N 15 108.563 0.045 . . . . . . . 283 G N . 50427 1 128 . 1 . 1 38 38 ILE H H 1 7.773 0.006 . . . . . . . 284 I HN . 50427 1 129 . 1 . 1 38 38 ILE C C 13 176.239 0.005 . . . . . . . 284 I C . 50427 1 130 . 1 . 1 38 38 ILE CA C 13 61.226 0.018 . . . . . . . 284 I CA . 50427 1 131 . 1 . 1 38 38 ILE CB C 13 38.315 0.058 . . . . . . . 284 I CB . 50427 1 132 . 1 . 1 38 38 ILE N N 15 120.209 0.034 . . . . . . . 284 I N . 50427 1 133 . 1 . 1 39 39 LYS H H 1 8.261 0.004 . . . . . . . 285 K HN . 50427 1 134 . 1 . 1 39 39 LYS CA C 13 55.936 0.060 . . . . . . . 285 K CA . 50427 1 135 . 1 . 1 39 39 LYS CB C 13 32.831 0.000 . . . . . . . 285 K CB . 50427 1 136 . 1 . 1 39 39 LYS N N 15 125.144 0.041 . . . . . . . 285 K N . 50427 1 137 . 1 . 1 40 40 HIS H H 1 8.464 0.005 . . . . . . . 286 H HN . 50427 1 138 . 1 . 1 40 40 HIS CA C 13 63.151 0.000 . . . . . . . 286 H CA . 50427 1 139 . 1 . 1 40 40 HIS N N 15 119.881 0.018 . . . . . . . 286 H N . 50427 1 140 . 1 . 1 41 41 GLY H H 1 8.377 0.005 . . . . . . . 287 G HN . 50427 1 141 . 1 . 1 41 41 GLY C C 13 174.030 0.000 . . . . . . . 287 G C . 50427 1 142 . 1 . 1 41 41 GLY CA C 13 45.345 0.076 . . . . . . . 287 G CA . 50427 1 143 . 1 . 1 41 41 GLY N N 15 110.294 0.046 . . . . . . . 287 G N . 50427 1 144 . 1 . 1 42 42 GLY H H 1 8.281 0.004 . . . . . . . 288 G HN . 50427 1 145 . 1 . 1 42 42 GLY C C 13 174.020 0.006 . . . . . . . 288 G C . 50427 1 146 . 1 . 1 42 42 GLY CA C 13 45.209 0.031 . . . . . . . 288 G CA . 50427 1 147 . 1 . 1 42 42 GLY N N 15 108.769 0.051 . . . . . . . 288 G N . 50427 1 148 . 1 . 1 43 43 LEU H H 1 8.049 0.005 . . . . . . . 289 L HN . 50427 1 149 . 1 . 1 43 43 LEU C C 13 176.855 0.016 . . . . . . . 289 L C . 50427 1 150 . 1 . 1 43 43 LEU CA C 13 55.150 0.032 . . . . . . . 289 L CA . 50427 1 151 . 1 . 1 43 43 LEU CB C 13 42.552 0.039 . . . . . . . 289 L CB . 50427 1 152 . 1 . 1 43 43 LEU N N 15 121.412 0.033 . . . . . . . 289 L N . 50427 1 153 . 1 . 1 44 44 ASP H H 1 8.323 0.004 . . . . . . . 290 D HN . 50427 1 154 . 1 . 1 44 44 ASP C C 13 176.158 0.002 . . . . . . . 290 D C . 50427 1 155 . 1 . 1 44 44 ASP CA C 13 54.015 0.031 . . . . . . . 290 D CA . 50427 1 156 . 1 . 1 44 44 ASP CB C 13 40.846 0.052 . . . . . . . 290 D CB . 50427 1 157 . 1 . 1 44 44 ASP N N 15 121.173 0.027 . . . . . . . 290 D N . 50427 1 158 . 1 . 1 45 45 LEU H H 1 8.219 0.004 . . . . . . . 291 L HN . 50427 1 159 . 1 . 1 45 45 LEU C C 13 177.874 0.000 . . . . . . . 291 L C . 50427 1 160 . 1 . 1 45 45 LEU CA C 13 55.302 0.025 . . . . . . . 291 L CA . 50427 1 161 . 1 . 1 45 45 LEU CB C 13 42.007 0.028 . . . . . . . 291 L CB . 50427 1 162 . 1 . 1 45 45 LEU N N 15 123.169 0.045 . . . . . . . 291 L N . 50427 1 163 . 1 . 1 46 46 THR H H 1 8.209 0.005 . . . . . . . 292 T HN . 50427 1 164 . 1 . 1 46 46 THR C C 13 175.030 0.005 . . . . . . . 292 T C . 50427 1 165 . 1 . 1 46 46 THR CA C 13 62.497 0.004 . . . . . . . 292 T CA . 50427 1 166 . 1 . 1 46 46 THR CB C 13 69.775 0.035 . . . . . . . 292 T CB . 50427 1 167 . 1 . 1 46 46 THR N N 15 113.792 0.035 . . . . . . . 292 T N . 50427 1 168 . 1 . 1 47 47 THR H H 1 7.953 0.005 . . . . . . . 293 T HN . 50427 1 169 . 1 . 1 47 47 THR C C 13 174.252 0.000 . . . . . . . 293 T C . 50427 1 170 . 1 . 1 47 47 THR CA C 13 62.093 0.029 . . . . . . . 293 T CA . 50427 1 171 . 1 . 1 47 47 THR CB C 13 69.740 0.014 . . . . . . . 293 T CB . 50427 1 172 . 1 . 1 47 47 THR N N 15 115.286 0.049 . . . . . . . 293 T N . 50427 1 173 . 1 . 1 50 50 SER H H 1 8.327 0.010 . . . . . . . 296 S HN . 50427 1 174 . 1 . 1 50 50 SER CB C 13 38.810 0.000 . . . . . . . 296 S CB . 50427 1 175 . 1 . 1 50 50 SER N N 15 120.723 0.027 . . . . . . . 296 S N . 50427 1 176 . 1 . 1 51 51 SER H H 1 8.355 0.004 . . . . . . . 297 S HN . 50427 1 177 . 1 . 1 51 51 SER N N 15 119.568 0.034 . . . . . . . 297 S N . 50427 1 178 . 1 . 1 52 52 SER H H 1 8.266 0.005 . . . . . . . 298 S HN . 50427 1 179 . 1 . 1 52 52 SER N N 15 116.294 0.027 . . . . . . . 298 S N . 50427 1 180 . 1 . 1 53 53 THR H H 1 8.157 0.009 . . . . . . . 299 T HN . 50427 1 181 . 1 . 1 53 53 THR N N 15 115.597 0.065 . . . . . . . 299 T N . 50427 1 182 . 1 . 1 64 64 PRO C C 13 176.764 0.000 . . . . . . . 310 P C . 50427 1 183 . 1 . 1 64 64 PRO CA C 13 62.872 0.000 . . . . . . . 310 P CA . 50427 1 184 . 1 . 1 64 64 PRO CB C 13 31.877 0.000 . . . . . . . 310 P CB . 50427 1 185 . 1 . 1 65 65 ILE H H 1 8.190 0.003 . . . . . . . 311 I HN . 50427 1 186 . 1 . 1 65 65 ILE C C 13 176.370 0.000 . . . . . . . 311 I C . 50427 1 187 . 1 . 1 65 65 ILE CA C 13 61.093 0.000 . . . . . . . 311 I CA . 50427 1 188 . 1 . 1 65 65 ILE CB C 13 38.652 0.019 . . . . . . . 311 I CB . 50427 1 189 . 1 . 1 65 65 ILE N N 15 121.150 0.035 . . . . . . . 311 I N . 50427 1 190 . 1 . 1 66 66 THR H H 1 8.088 0.005 . . . . . . . 312 T HN . 50427 1 191 . 1 . 1 66 66 THR C C 13 173.920 0.000 . . . . . . . 312 T C . 50427 1 192 . 1 . 1 66 66 THR CA C 13 61.383 0.000 . . . . . . . 312 T CA . 50427 1 193 . 1 . 1 66 66 THR CB C 13 69.910 0.000 . . . . . . . 312 T CB . 50427 1 194 . 1 . 1 66 66 THR N N 15 118.087 0.043 . . . . . . . 312 T N . 50427 1 195 . 1 . 1 68 68 HIS H H 1 8.389 0.003 . . . . . . . 314 H HN . 50427 1 196 . 1 . 1 68 68 HIS CA C 13 55.855 0.005 . . . . . . . 314 H CA . 50427 1 197 . 1 . 1 68 68 HIS CB C 13 29.521 0.004 . . . . . . . 314 H CB . 50427 1 198 . 1 . 1 68 68 HIS N N 15 123.684 0.004 . . . . . . . 314 H N . 50427 1 199 . 1 . 1 69 69 SER H H 1 8.238 0.005 . . . . . . . 315 S HN . 50427 1 200 . 1 . 1 69 69 SER CA C 13 58.226 0.081 . . . . . . . 315 S CA . 50427 1 201 . 1 . 1 69 69 SER CB C 13 63.785 0.037 . . . . . . . 315 S CB . 50427 1 202 . 1 . 1 69 69 SER N N 15 117.534 0.087 . . . . . . . 315 S N . 50427 1 203 . 1 . 1 70 70 ILE H H 1 8.164 0.008 . . . . . . . 316 I HN . 50427 1 204 . 1 . 1 70 70 ILE C C 13 176.265 0.004 . . . . . . . 316 I C . 50427 1 205 . 1 . 1 70 70 ILE CA C 13 61.274 0.037 . . . . . . . 316 I CA . 50427 1 206 . 1 . 1 70 70 ILE CB C 13 38.566 0.029 . . . . . . . 316 I CB . 50427 1 207 . 1 . 1 70 70 ILE N N 15 122.834 0.049 . . . . . . . 316 I N . 50427 1 208 . 1 . 1 71 71 VAL H H 1 8.127 0.004 . . . . . . . 317 V HN . 50427 1 209 . 1 . 1 71 71 VAL C C 13 175.869 0.000 . . . . . . . 317 V C . 50427 1 210 . 1 . 1 71 71 VAL CA C 13 62.347 0.000 . . . . . . . 317 V CA . 50427 1 211 . 1 . 1 71 71 VAL CB C 13 32.781 0.000 . . . . . . . 317 V CB . 50427 1 212 . 1 . 1 71 71 VAL N N 15 124.189 0.031 . . . . . . . 317 V N . 50427 1 213 . 1 . 1 72 72 ASN H H 1 8.469 0.003 . . . . . . . 318 N HN . 50427 1 214 . 1 . 1 72 72 ASN C C 13 175.685 0.017 . . . . . . . 318 N C . 50427 1 215 . 1 . 1 72 72 ASN CA C 13 53.432 0.000 . . . . . . . 318 N CA . 50427 1 216 . 1 . 1 72 72 ASN CB C 13 38.751 0.034 . . . . . . . 318 N CB . 50427 1 217 . 1 . 1 72 72 ASN N N 15 122.790 0.037 . . . . . . . 318 N N . 50427 1 218 . 1 . 1 73 73 GLY H H 1 8.322 0.016 . . . . . . . 319 G HN . 50427 1 219 . 1 . 1 73 73 GLY C C 13 174.120 0.023 . . . . . . . 319 G C . 50427 1 220 . 1 . 1 73 73 GLY CA C 13 45.535 0.002 . . . . . . . 319 G CA . 50427 1 221 . 1 . 1 73 73 GLY N N 15 109.175 0.044 . . . . . . . 319 G N . 50427 1 222 . 1 . 1 74 74 GLN H H 1 8.148 0.008 . . . . . . . 320 Q HN . 50427 1 223 . 1 . 1 74 74 GLN C C 13 176.075 0.000 . . . . . . . 320 Q C . 50427 1 224 . 1 . 1 74 74 GLN CA C 13 55.955 0.000 . . . . . . . 320 Q CA . 50427 1 225 . 1 . 1 74 74 GLN CB C 13 29.425 0.000 . . . . . . . 320 Q CB . 50427 1 226 . 1 . 1 74 74 GLN N N 15 119.670 0.034 . . . . . . . 320 Q N . 50427 1 227 . 1 . 1 75 75 SER H H 1 8.324 0.004 . . . . . . . 321 S HN . 50427 1 228 . 1 . 1 75 75 SER CA C 13 58.451 0.031 . . . . . . . 321 S CA . 50427 1 229 . 1 . 1 75 75 SER CB C 13 63.797 0.000 . . . . . . . 321 S CB . 50427 1 230 . 1 . 1 75 75 SER N N 15 116.890 0.055 . . . . . . . 321 S N . 50427 1 231 . 1 . 1 76 76 SER H H 1 8.317 0.005 . . . . . . . 322 S HN . 50427 1 232 . 1 . 1 76 76 SER C C 13 174.620 0.000 . . . . . . . 322 S C . 50427 1 233 . 1 . 1 76 76 SER CA C 13 58.467 0.016 . . . . . . . 322 S CA . 50427 1 234 . 1 . 1 76 76 SER CB C 13 63.812 0.016 . . . . . . . 322 S CB . 50427 1 235 . 1 . 1 76 76 SER N N 15 118.094 0.037 . . . . . . . 322 S N . 50427 1 236 . 1 . 1 77 77 VAL H H 1 8.007 0.010 . . . . . . . 323 V HN . 50427 1 237 . 1 . 1 77 77 VAL C C 13 176.362 0.008 . . . . . . . 323 V C . 50427 1 238 . 1 . 1 77 77 VAL CA C 13 62.587 0.146 . . . . . . . 323 V CA . 50427 1 239 . 1 . 1 77 77 VAL CB C 13 32.467 0.054 . . . . . . . 323 V CB . 50427 1 240 . 1 . 1 77 77 VAL N N 15 121.474 0.013 . . . . . . . 323 V N . 50427 1 241 . 1 . 1 78 78 LEU H H 1 8.139 0.006 . . . . . . . 324 L HN . 50427 1 242 . 1 . 1 78 78 LEU C C 13 177.520 0.021 . . . . . . . 324 L C . 50427 1 243 . 1 . 1 78 78 LEU CA C 13 55.432 0.001 . . . . . . . 324 L CA . 50427 1 244 . 1 . 1 78 78 LEU CB C 13 42.189 0.017 . . . . . . . 324 L CB . 50427 1 245 . 1 . 1 78 78 LEU N N 15 124.826 0.026 . . . . . . . 324 L N . 50427 1 246 . 1 . 1 79 79 SER H H 1 8.092 0.004 . . . . . . . 325 S HN . 50427 1 247 . 1 . 1 79 79 SER C C 13 174.199 0.000 . . . . . . . 325 S C . 50427 1 248 . 1 . 1 79 79 SER CA C 13 58.428 0.016 . . . . . . . 325 S CA . 50427 1 249 . 1 . 1 79 79 SER CB C 13 63.772 0.015 . . . . . . . 325 S CB . 50427 1 250 . 1 . 1 79 79 SER N N 15 116.207 0.013 . . . . . . . 325 S N . 50427 1 251 . 1 . 1 80 80 ALA H H 1 8.110 0.006 . . . . . . . 326 A HN . 50427 1 252 . 1 . 1 80 80 ALA C C 13 177.561 0.005 . . . . . . . 326 A C . 50427 1 253 . 1 . 1 80 80 ALA CA C 13 52.516 0.034 . . . . . . . 326 A CA . 50427 1 254 . 1 . 1 80 80 ALA CB C 13 19.146 0.000 . . . . . . . 326 A CB . 50427 1 255 . 1 . 1 80 80 ALA N N 15 125.657 0.024 . . . . . . . 326 A N . 50427 1 256 . 1 . 1 81 81 ARG H H 1 8.134 0.013 . . . . . . . 327 R HN . 50427 1 257 . 1 . 1 81 81 ARG C C 13 176.325 0.019 . . . . . . . 327 R C . 50427 1 258 . 1 . 1 81 81 ARG CA C 13 56.093 0.000 . . . . . . . 327 R CA . 50427 1 259 . 1 . 1 81 81 ARG CB C 13 30.691 0.000 . . . . . . . 327 R CB . 50427 1 260 . 1 . 1 81 81 ARG N N 15 120.190 0.028 . . . . . . . 327 R N . 50427 1 261 . 1 . 1 82 82 ARG H H 1 8.353 0.005 . . . . . . . 328 R HN . 50427 1 262 . 1 . 1 82 82 ARG C C 13 175.948 0.009 . . . . . . . 328 R C . 50427 1 263 . 1 . 1 82 82 ARG CA C 13 56.098 0.000 . . . . . . . 328 R CA . 50427 1 264 . 1 . 1 82 82 ARG CB C 13 30.707 0.066 . . . . . . . 328 R CB . 50427 1 265 . 1 . 1 82 82 ARG N N 15 122.843 0.027 . . . . . . . 328 R N . 50427 1 266 . 1 . 1 83 83 ASP H H 1 8.356 0.003 . . . . . . . 329 D HN . 50427 1 267 . 1 . 1 83 83 ASP C C 13 176.370 0.000 . . . . . . . 329 D C . 50427 1 268 . 1 . 1 83 83 ASP CB C 13 41.491 0.000 . . . . . . . 329 D CB . 50427 1 269 . 1 . 1 83 83 ASP N N 15 121.536 0.005 . . . . . . . 329 D N . 50427 1 270 . 1 . 1 84 84 SER H H 1 8.247 0.013 . . . . . . . 330 S HN . 50427 1 271 . 1 . 1 84 84 SER CA C 13 56.541 0.000 . . . . . . . 330 S CA . 50427 1 272 . 1 . 1 84 84 SER CB C 13 63.512 0.000 . . . . . . . 330 S CB . 50427 1 273 . 1 . 1 84 84 SER N N 15 116.356 0.085 . . . . . . . 330 S N . 50427 1 274 . 1 . 1 85 85 SER H H 1 8.218 0.007 . . . . . . . 331 S HN . 50427 1 275 . 1 . 1 85 85 SER N N 15 117.767 0.066 . . . . . . . 331 S N . 50427 1 276 . 1 . 1 86 86 SER H H 1 8.164 0.005 . . . . . . . 332 S HN . 50427 1 277 . 1 . 1 86 86 SER CA C 13 58.261 0.000 . . . . . . . 332 S CA . 50427 1 278 . 1 . 1 86 86 SER CB C 13 63.843 0.000 . . . . . . . 332 S CB . 50427 1 279 . 1 . 1 86 86 SER N N 15 117.270 0.023 . . . . . . . 332 S N . 50427 1 280 . 1 . 1 87 87 HIS H H 1 8.340 0.005 . . . . . . . 333 H HN . 50427 1 281 . 1 . 1 87 87 HIS N N 15 120.929 0.027 . . . . . . . 333 H N . 50427 1 282 . 1 . 1 88 88 GLU H H 1 8.294 0.006 . . . . . . . 334 E HN . 50427 1 283 . 1 . 1 88 88 GLU C C 13 176.357 0.014 . . . . . . . 334 E C . 50427 1 284 . 1 . 1 88 88 GLU CA C 13 56.595 0.000 . . . . . . . 334 E CA . 50427 1 285 . 1 . 1 88 88 GLU CB C 13 30.331 0.000 . . . . . . . 334 E CB . 50427 1 286 . 1 . 1 88 88 GLU N N 15 122.049 0.040 . . . . . . . 334 E N . 50427 1 287 . 1 . 1 89 89 GLU H H 1 8.503 0.005 . . . . . . . 335 E HN . 50427 1 288 . 1 . 1 89 89 GLU C C 13 176.797 0.020 . . . . . . . 335 E C . 50427 1 289 . 1 . 1 89 89 GLU CA C 13 56.530 0.060 . . . . . . . 335 E CA . 50427 1 290 . 1 . 1 89 89 GLU CB C 13 30.187 0.051 . . . . . . . 335 E CB . 50427 1 291 . 1 . 1 89 89 GLU N N 15 122.503 0.024 . . . . . . . 335 E N . 50427 1 292 . 1 . 1 90 90 THR H H 1 8.204 0.006 . . . . . . . 336 T HN . 50427 1 293 . 1 . 1 90 90 THR C C 13 175.304 0.000 . . . . . . . 336 T C . 50427 1 294 . 1 . 1 90 90 THR CA C 13 62.155 0.031 . . . . . . . 336 T CA . 50427 1 295 . 1 . 1 90 90 THR CB C 13 69.823 0.010 . . . . . . . 336 T CB . 50427 1 296 . 1 . 1 90 90 THR N N 15 115.012 0.045 . . . . . . . 336 T N . 50427 1 297 . 1 . 1 91 91 GLY H H 1 8.402 0.004 . . . . . . . 337 G HN . 50427 1 298 . 1 . 1 91 91 GLY C C 13 173.848 0.011 . . . . . . . 337 G C . 50427 1 299 . 1 . 1 91 91 GLY CA C 13 45.299 0.010 . . . . . . . 337 G CA . 50427 1 300 . 1 . 1 91 91 GLY N N 15 111.404 0.035 . . . . . . . 337 G N . 50427 1 301 . 1 . 1 92 92 ALA H H 1 8.039 0.007 . . . . . . . 338 A HN . 50427 1 302 . 1 . 1 92 92 ALA C C 13 177.755 0.011 . . . . . . . 338 A C . 50427 1 303 . 1 . 1 92 92 ALA CA C 13 52.364 0.021 . . . . . . . 338 A CA . 50427 1 304 . 1 . 1 92 92 ALA CB C 13 19.298 0.008 . . . . . . . 338 A CB . 50427 1 305 . 1 . 1 92 92 ALA N N 15 123.515 0.036 . . . . . . . 338 A N . 50427 1 306 . 1 . 1 93 93 SER H H 1 8.228 0.006 . . . . . . . 339 S HN . 50427 1 307 . 1 . 1 93 93 SER C C 13 174.103 0.000 . . . . . . . 339 S C . 50427 1 308 . 1 . 1 93 93 SER CA C 13 58.224 0.000 . . . . . . . 339 S CA . 50427 1 309 . 1 . 1 93 93 SER CB C 13 63.775 0.000 . . . . . . . 339 S CB . 50427 1 310 . 1 . 1 93 93 SER N N 15 114.991 0.027 . . . . . . . 339 S N . 50427 1 311 . 1 . 1 94 94 HIS H H 1 8.294 0.006 . . . . . . . 340 H HN . 50427 1 312 . 1 . 1 94 94 HIS CA C 13 55.528 0.000 . . . . . . . 340 H CA . 50427 1 313 . 1 . 1 94 94 HIS CB C 13 29.744 0.000 . . . . . . . 340 H CB . 50427 1 314 . 1 . 1 94 94 HIS N N 15 120.803 0.038 . . . . . . . 340 H N . 50427 1 315 . 1 . 1 95 95 THR H H 1 7.887 0.006 . . . . . . . 341 T HN . 50427 1 316 . 1 . 1 95 95 THR CA C 13 63.433 0.000 . . . . . . . 341 T CA . 50427 1 317 . 1 . 1 95 95 THR CB C 13 70.530 0.000 . . . . . . . 341 T CB . 50427 1 318 . 1 . 1 95 95 THR N N 15 120.191 0.042 . . . . . . . 341 T N . 50427 1 stop_ save_