data_50426 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50426 _Entry.Title ; FOXP2_FH_504-594 ; _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 . . . . 50426 2 Tobias Madl . . . . 50426 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50426 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 80 50426 '1H chemical shifts' 79 50426 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 . 50426 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50426 _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. . . . 50426 1 2 Tianshu Gui T. . . . 50426 1 3 Benjamin Bourgeois B. . . . 50426 1 4 Chintan Koyani C. N. . . 50426 1 5 Peter Ulz P. . . . 50426 1 6 Ellen Heitzer E. . . . 50426 1 7 Dirk 'von Lewinski' D. . . . 50426 1 8 Boudewijn Burgering . . . . 50426 1 9 Ernst Malle E. . . . 50426 1 10 Tobias Madl T. . . . 50426 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50426 _Assembly.ID 1 _Assembly.Name FOXP2_FH_504-594 _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_FH_504-594 1 $entity_1 . . yes native no no . . . 50426 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50426 _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 ; RPPFTYATLIRQAIMESSDR QLTLNEIYSWFTRTFAYFRR NAATWKNAVRHNLSLHKCFV RVENVKGAVWTVDEVEYQKR RSQKITGSPTL ; _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 91 _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 1 504 ARG . 50426 1 2 505 PRO . 50426 1 3 506 PRO . 50426 1 4 507 PHE . 50426 1 5 508 THR . 50426 1 6 509 TYR . 50426 1 7 510 ALA . 50426 1 8 511 THR . 50426 1 9 512 LEU . 50426 1 10 513 ILE . 50426 1 11 514 ARG . 50426 1 12 515 GLN . 50426 1 13 516 ALA . 50426 1 14 517 ILE . 50426 1 15 518 MET . 50426 1 16 519 GLU . 50426 1 17 520 SER . 50426 1 18 521 SER . 50426 1 19 522 ASP . 50426 1 20 523 ARG . 50426 1 21 524 GLN . 50426 1 22 525 LEU . 50426 1 23 526 THR . 50426 1 24 527 LEU . 50426 1 25 528 ASN . 50426 1 26 529 GLU . 50426 1 27 530 ILE . 50426 1 28 531 TYR . 50426 1 29 532 SER . 50426 1 30 533 TRP . 50426 1 31 534 PHE . 50426 1 32 535 THR . 50426 1 33 536 ARG . 50426 1 34 537 THR . 50426 1 35 538 PHE . 50426 1 36 539 ALA . 50426 1 37 540 TYR . 50426 1 38 541 PHE . 50426 1 39 542 ARG . 50426 1 40 543 ARG . 50426 1 41 544 ASN . 50426 1 42 545 ALA . 50426 1 43 546 ALA . 50426 1 44 547 THR . 50426 1 45 548 TRP . 50426 1 46 549 LYS . 50426 1 47 550 ASN . 50426 1 48 551 ALA . 50426 1 49 552 VAL . 50426 1 50 553 ARG . 50426 1 51 554 HIS . 50426 1 52 555 ASN . 50426 1 53 556 LEU . 50426 1 54 557 SER . 50426 1 55 558 LEU . 50426 1 56 559 HIS . 50426 1 57 560 LYS . 50426 1 58 561 CYS . 50426 1 59 562 PHE . 50426 1 60 563 VAL . 50426 1 61 564 ARG . 50426 1 62 565 VAL . 50426 1 63 566 GLU . 50426 1 64 567 ASN . 50426 1 65 568 VAL . 50426 1 66 569 LYS . 50426 1 67 570 GLY . 50426 1 68 571 ALA . 50426 1 69 572 VAL . 50426 1 70 573 TRP . 50426 1 71 574 THR . 50426 1 72 575 VAL . 50426 1 73 576 ASP . 50426 1 74 577 GLU . 50426 1 75 578 VAL . 50426 1 76 579 GLU . 50426 1 77 580 TYR . 50426 1 78 581 GLN . 50426 1 79 582 LYS . 50426 1 80 583 ARG . 50426 1 81 584 ARG . 50426 1 82 585 SER . 50426 1 83 586 GLN . 50426 1 84 587 LYS . 50426 1 85 588 ILE . 50426 1 86 589 THR . 50426 1 87 590 GLY . 50426 1 88 591 SER . 50426 1 89 592 PRO . 50426 1 90 593 THR . 50426 1 91 594 LEU . 50426 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 50426 1 . PRO 2 2 50426 1 . PRO 3 3 50426 1 . PHE 4 4 50426 1 . THR 5 5 50426 1 . TYR 6 6 50426 1 . ALA 7 7 50426 1 . THR 8 8 50426 1 . LEU 9 9 50426 1 . ILE 10 10 50426 1 . ARG 11 11 50426 1 . GLN 12 12 50426 1 . ALA 13 13 50426 1 . ILE 14 14 50426 1 . MET 15 15 50426 1 . GLU 16 16 50426 1 . SER 17 17 50426 1 . SER 18 18 50426 1 . ASP 19 19 50426 1 . ARG 20 20 50426 1 . GLN 21 21 50426 1 . LEU 22 22 50426 1 . THR 23 23 50426 1 . LEU 24 24 50426 1 . ASN 25 25 50426 1 . GLU 26 26 50426 1 . ILE 27 27 50426 1 . TYR 28 28 50426 1 . SER 29 29 50426 1 . TRP 30 30 50426 1 . PHE 31 31 50426 1 . THR 32 32 50426 1 . ARG 33 33 50426 1 . THR 34 34 50426 1 . PHE 35 35 50426 1 . ALA 36 36 50426 1 . TYR 37 37 50426 1 . PHE 38 38 50426 1 . ARG 39 39 50426 1 . ARG 40 40 50426 1 . ASN 41 41 50426 1 . ALA 42 42 50426 1 . ALA 43 43 50426 1 . THR 44 44 50426 1 . TRP 45 45 50426 1 . LYS 46 46 50426 1 . ASN 47 47 50426 1 . ALA 48 48 50426 1 . VAL 49 49 50426 1 . ARG 50 50 50426 1 . HIS 51 51 50426 1 . ASN 52 52 50426 1 . LEU 53 53 50426 1 . SER 54 54 50426 1 . LEU 55 55 50426 1 . HIS 56 56 50426 1 . LYS 57 57 50426 1 . CYS 58 58 50426 1 . PHE 59 59 50426 1 . VAL 60 60 50426 1 . ARG 61 61 50426 1 . VAL 62 62 50426 1 . GLU 63 63 50426 1 . ASN 64 64 50426 1 . VAL 65 65 50426 1 . LYS 66 66 50426 1 . GLY 67 67 50426 1 . ALA 68 68 50426 1 . VAL 69 69 50426 1 . TRP 70 70 50426 1 . THR 71 71 50426 1 . VAL 72 72 50426 1 . ASP 73 73 50426 1 . GLU 74 74 50426 1 . VAL 75 75 50426 1 . GLU 76 76 50426 1 . TYR 77 77 50426 1 . GLN 78 78 50426 1 . LYS 79 79 50426 1 . ARG 80 80 50426 1 . ARG 81 81 50426 1 . SER 82 82 50426 1 . GLN 83 83 50426 1 . LYS 84 84 50426 1 . ILE 85 85 50426 1 . THR 86 86 50426 1 . GLY 87 87 50426 1 . SER 88 88 50426 1 . PRO 89 89 50426 1 . THR 90 90 50426 1 . LEU 91 91 50426 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 50426 _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 . . . . . . . . . . . . . 50426 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 50426 _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 . . . 50426 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50426 _Sample.ID 1 _Sample.Name FOXP2_504-594 _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_FH_504-594 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 50426 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50426 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50426 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 2 . . mM . . . . 50426 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 50426 _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 50426 1 pH 6.5 . pH 50426 1 pressure 1 . atm 50426 1 temperature 298 . K 50426 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50426 _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 'data analysis' . 50426 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50426 _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 . 50426 2 processing . 50426 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 50426 _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 50426 _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 . . . . . . . . . . . . . . . . . 50426 1 2 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50426 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50426 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50426 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50426 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 50426 _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 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50426 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 50426 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 50426 _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' . . . 50426 1 2 '3D CBCACONH' . . . 50426 1 3 '3D HNCACB' . . . 50426 1 4 '3D HNCO' . . . 50426 1 5 '3D HN(CA)CO' . . . 50426 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 . . 50426 1 2 $software_2 . . 50426 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 N N 15 125.547 0.000 . . . . . . . 504 R N . 50426 1 2 . 1 . 1 4 4 PHE H H 1 7.478 0.000 . . . . . . . 507 F HN . 50426 1 3 . 1 . 1 4 4 PHE N N 15 117.569 0.000 . . . . . . . 507 F N . 50426 1 4 . 1 . 1 5 5 THR H H 1 8.710 0.000 . . . . . . . 508 T HN . 50426 1 5 . 1 . 1 5 5 THR N N 15 112.328 0.000 . . . . . . . 508 T N . 50426 1 6 . 1 . 1 6 6 TYR H H 1 8.808 0.000 . . . . . . . 509 Y HN . 50426 1 7 . 1 . 1 6 6 TYR N N 15 119.049 0.000 . . . . . . . 509 Y N . 50426 1 8 . 1 . 1 7 7 ALA H H 1 8.954 0.000 . . . . . . . 510 A HN . 50426 1 9 . 1 . 1 7 7 ALA N N 15 119.608 0.000 . . . . . . . 510 A N . 50426 1 10 . 1 . 1 8 8 THR H H 1 7.639 0.000 . . . . . . . 511 T HN . 50426 1 11 . 1 . 1 8 8 THR N N 15 114.611 0.000 . . . . . . . 511 T N . 50426 1 12 . 1 . 1 9 9 LEU H H 1 7.834 0.000 . . . . . . . 512 L HN . 50426 1 13 . 1 . 1 9 9 LEU N N 15 122.395 0.000 . . . . . . . 512 L N . 50426 1 14 . 1 . 1 10 10 ILE H H 1 8.773 0.000 . . . . . . . 513 I HN . 50426 1 15 . 1 . 1 10 10 ILE N N 15 118.545 0.000 . . . . . . . 513 I N . 50426 1 16 . 1 . 1 11 11 ARG H H 1 7.696 0.000 . . . . . . . 514 R HN . 50426 1 17 . 1 . 1 11 11 ARG N N 15 116.256 0.000 . . . . . . . 514 R N . 50426 1 18 . 1 . 1 12 12 GLN H H 1 7.646 0.000 . . . . . . . 515 Q HN . 50426 1 19 . 1 . 1 12 12 GLN N N 15 120.002 0.000 . . . . . . . 515 Q N . 50426 1 20 . 1 . 1 13 13 ALA H H 1 7.186 0.000 . . . . . . . 516 A HN . 50426 1 21 . 1 . 1 13 13 ALA N N 15 120.150 0.000 . . . . . . . 516 A N . 50426 1 22 . 1 . 1 14 14 ILE H H 1 7.452 0.000 . . . . . . . 517 I HN . 50426 1 23 . 1 . 1 14 14 ILE N N 15 115.552 0.000 . . . . . . . 517 I N . 50426 1 24 . 1 . 1 15 15 MET H H 1 8.713 0.000 . . . . . . . 518 M HN . 50426 1 25 . 1 . 1 15 15 MET N N 15 119.223 0.000 . . . . . . . 518 M N . 50426 1 26 . 1 . 1 16 16 GLU H H 1 7.561 0.000 . . . . . . . 519 E HN . 50426 1 27 . 1 . 1 16 16 GLU N N 15 117.040 0.000 . . . . . . . 519 E N . 50426 1 28 . 1 . 1 17 17 SER H H 1 7.439 0.000 . . . . . . . 520 S HN . 50426 1 29 . 1 . 1 17 17 SER N N 15 116.794 0.000 . . . . . . . 520 S N . 50426 1 30 . 1 . 1 18 18 SER H H 1 8.977 0.000 . . . . . . . 521 S HN . 50426 1 31 . 1 . 1 18 18 SER N N 15 119.961 0.000 . . . . . . . 521 S N . 50426 1 32 . 1 . 1 19 19 ASP H H 1 8.416 0.000 . . . . . . . 522 D HN . 50426 1 33 . 1 . 1 19 19 ASP N N 15 117.472 0.000 . . . . . . . 522 D N . 50426 1 34 . 1 . 1 20 20 ARG H H 1 7.872 0.000 . . . . . . . 523 R HN . 50426 1 35 . 1 . 1 20 20 ARG N N 15 116.910 0.000 . . . . . . . 523 R N . 50426 1 36 . 1 . 1 21 21 GLN H H 1 7.322 0.000 . . . . . . . 524 Q HN . 50426 1 37 . 1 . 1 21 21 GLN N N 15 113.001 0.000 . . . . . . . 524 Q N . 50426 1 38 . 1 . 1 22 22 LEU H H 1 8.495 0.000 . . . . . . . 525 L HN . 50426 1 39 . 1 . 1 22 22 LEU N N 15 120.912 0.000 . . . . . . . 525 L N . 50426 1 40 . 1 . 1 24 24 LEU H H 1 9.166 0.000 . . . . . . . 527 L HN . 50426 1 41 . 1 . 1 24 24 LEU N N 15 121.774 0.000 . . . . . . . 527 L N . 50426 1 42 . 1 . 1 25 25 ASN H H 1 8.266 0.000 . . . . . . . 528 N HN . 50426 1 43 . 1 . 1 25 25 ASN N N 15 113.603 0.000 . . . . . . . 528 N N . 50426 1 44 . 1 . 1 27 27 ILE H H 1 8.326 0.000 . . . . . . . 530 I HN . 50426 1 45 . 1 . 1 27 27 ILE N N 15 124.577 0.000 . . . . . . . 530 I N . 50426 1 46 . 1 . 1 28 28 TYR H H 1 8.488 0.000 . . . . . . . 531 Y HN . 50426 1 47 . 1 . 1 28 28 TYR N N 15 117.853 0.000 . . . . . . . 531 Y N . 50426 1 48 . 1 . 1 29 29 SER H H 1 8.357 0.000 . . . . . . . 532 S HN . 50426 1 49 . 1 . 1 29 29 SER N N 15 113.070 0.000 . . . . . . . 532 S N . 50426 1 50 . 1 . 1 30 30 TRP H H 1 8.223 0.000 . . . . . . . 533 W HN . 50426 1 51 . 1 . 1 30 30 TRP N N 15 123.109 0.000 . . . . . . . 533 W N . 50426 1 52 . 1 . 1 31 31 PHE H H 1 8.692 0.000 . . . . . . . 534 F HN . 50426 1 53 . 1 . 1 31 31 PHE N N 15 121.963 0.000 . . . . . . . 534 F N . 50426 1 54 . 1 . 1 32 32 THR H H 1 7.954 0.000 . . . . . . . 535 T HN . 50426 1 55 . 1 . 1 32 32 THR N N 15 107.871 0.000 . . . . . . . 535 T N . 50426 1 56 . 1 . 1 33 33 ARG H H 1 8.118 0.000 . . . . . . . 536 R HN . 50426 1 57 . 1 . 1 33 33 ARG N N 15 119.928 0.000 . . . . . . . 536 R N . 50426 1 58 . 1 . 1 34 34 THR H H 1 7.365 0.000 . . . . . . . 537 T HN . 50426 1 59 . 1 . 1 34 34 THR N N 15 115.408 0.000 . . . . . . . 537 T N . 50426 1 60 . 1 . 1 35 35 PHE H H 1 7.610 0.000 . . . . . . . 538 F HN . 50426 1 61 . 1 . 1 35 35 PHE N N 15 117.152 0.000 . . . . . . . 538 F N . 50426 1 62 . 1 . 1 36 36 ALA H H 1 8.624 0.000 . . . . . . . 539 A HN . 50426 1 63 . 1 . 1 36 36 ALA N N 15 126.699 0.000 . . . . . . . 539 A N . 50426 1 64 . 1 . 1 37 37 TYR H H 1 8.649 0.000 . . . . . . . 540 Y HN . 50426 1 65 . 1 . 1 37 37 TYR N N 15 117.192 0.000 . . . . . . . 540 Y N . 50426 1 66 . 1 . 1 38 38 PHE H H 1 7.029 0.000 . . . . . . . 541 F HN . 50426 1 67 . 1 . 1 38 38 PHE N N 15 113.583 0.000 . . . . . . . 541 F N . 50426 1 68 . 1 . 1 39 39 ARG H H 1 7.681 0.000 . . . . . . . 542 R HN . 50426 1 69 . 1 . 1 39 39 ARG N N 15 119.564 0.000 . . . . . . . 542 R N . 50426 1 70 . 1 . 1 41 41 ASN H H 1 8.530 0.000 . . . . . . . 544 N HN . 50426 1 71 . 1 . 1 41 41 ASN N N 15 116.744 0.000 . . . . . . . 544 N N . 50426 1 72 . 1 . 1 42 42 ALA H H 1 7.992 0.000 . . . . . . . 545 A HN . 50426 1 73 . 1 . 1 42 42 ALA N N 15 122.055 0.000 . . . . . . . 545 A N . 50426 1 74 . 1 . 1 43 43 ALA H H 1 8.349 0.000 . . . . . . . 546 A HN . 50426 1 75 . 1 . 1 43 43 ALA N N 15 119.152 0.000 . . . . . . . 546 A N . 50426 1 76 . 1 . 1 44 44 THR H H 1 7.814 0.000 . . . . . . . 547 T HN . 50426 1 77 . 1 . 1 44 44 THR N N 15 111.964 0.000 . . . . . . . 547 T N . 50426 1 78 . 1 . 1 45 45 TRP H H 1 7.668 0.000 . . . . . . . 548 W HN . 50426 1 79 . 1 . 1 45 45 TRP N N 15 120.943 0.000 . . . . . . . 548 W N . 50426 1 80 . 1 . 1 46 46 LYS H H 1 7.058 0.000 . . . . . . . 549 K HN . 50426 1 81 . 1 . 1 46 46 LYS N N 15 123.468 0.000 . . . . . . . 549 K N . 50426 1 82 . 1 . 1 47 47 ASN H H 1 7.351 0.000 . . . . . . . 550 N HN . 50426 1 83 . 1 . 1 47 47 ASN N N 15 117.479 0.000 . . . . . . . 550 N N . 50426 1 84 . 1 . 1 48 48 ALA H H 1 7.368 0.000 . . . . . . . 551 A HN . 50426 1 85 . 1 . 1 48 48 ALA N N 15 123.204 0.000 . . . . . . . 551 A N . 50426 1 86 . 1 . 1 49 49 VAL H H 1 8.247 0.000 . . . . . . . 552 V HN . 50426 1 87 . 1 . 1 49 49 VAL N N 15 122.326 0.000 . . . . . . . 552 V N . 50426 1 88 . 1 . 1 50 50 ARG H H 1 7.688 0.000 . . . . . . . 553 R HN . 50426 1 89 . 1 . 1 50 50 ARG N N 15 117.744 0.000 . . . . . . . 553 R N . 50426 1 90 . 1 . 1 51 51 HIS H H 1 8.406 0.000 . . . . . . . 554 H HN . 50426 1 91 . 1 . 1 51 51 HIS N N 15 118.144 0.000 . . . . . . . 554 H N . 50426 1 92 . 1 . 1 52 52 ASN H H 1 8.103 0.000 . . . . . . . 555 N HN . 50426 1 93 . 1 . 1 52 52 ASN N N 15 117.303 0.000 . . . . . . . 555 N N . 50426 1 94 . 1 . 1 53 53 LEU H H 1 7.697 0.000 . . . . . . . 556 L HN . 50426 1 95 . 1 . 1 53 53 LEU N N 15 119.012 0.000 . . . . . . . 556 L N . 50426 1 96 . 1 . 1 55 55 LEU H H 1 7.723 0.000 . . . . . . . 558 L HN . 50426 1 97 . 1 . 1 55 55 LEU N N 15 120.910 0.000 . . . . . . . 558 L N . 50426 1 98 . 1 . 1 56 56 HIS H H 1 7.372 0.000 . . . . . . . 559 H HN . 50426 1 99 . 1 . 1 56 56 HIS N N 15 116.429 0.000 . . . . . . . 559 H N . 50426 1 100 . 1 . 1 57 57 LYS H H 1 8.649 0.000 . . . . . . . 560 K HN . 50426 1 101 . 1 . 1 57 57 LYS N N 15 124.001 0.000 . . . . . . . 560 K N . 50426 1 102 . 1 . 1 58 58 CYS H H 1 7.934 0.000 . . . . . . . 561 C HN . 50426 1 103 . 1 . 1 58 58 CYS N N 15 112.161 0.000 . . . . . . . 561 C N . 50426 1 104 . 1 . 1 59 59 PHE H H 1 7.896 0.000 . . . . . . . 562 F HN . 50426 1 105 . 1 . 1 59 59 PHE N N 15 123.600 0.000 . . . . . . . 562 F N . 50426 1 106 . 1 . 1 62 62 VAL H H 1 8.964 0.000 . . . . . . . 565 V HN . 50426 1 107 . 1 . 1 62 62 VAL N N 15 128.114 0.000 . . . . . . . 565 V N . 50426 1 108 . 1 . 1 63 63 GLU H H 1 8.294 0.000 . . . . . . . 566 E HN . 50426 1 109 . 1 . 1 63 63 GLU N N 15 124.147 0.000 . . . . . . . 566 E N . 50426 1 110 . 1 . 1 64 64 ASN H H 1 8.314 0.000 . . . . . . . 567 N HN . 50426 1 111 . 1 . 1 64 64 ASN N N 15 122.127 0.000 . . . . . . . 567 N N . 50426 1 112 . 1 . 1 65 65 VAL H H 1 8.033 0.000 . . . . . . . 568 V HN . 50426 1 113 . 1 . 1 65 65 VAL N N 15 119.333 0.000 . . . . . . . 568 V N . 50426 1 114 . 1 . 1 66 66 LYS H H 1 8.307 0.000 . . . . . . . 569 K HN . 50426 1 115 . 1 . 1 66 66 LYS N N 15 119.515 0.000 . . . . . . . 569 K N . 50426 1 116 . 1 . 1 67 67 GLY H H 1 7.768 0.000 . . . . . . . 570 G HN . 50426 1 117 . 1 . 1 67 67 GLY N N 15 109.409 0.000 . . . . . . . 570 G N . 50426 1 118 . 1 . 1 68 68 ALA H H 1 8.088 0.000 . . . . . . . 571 A HN . 50426 1 119 . 1 . 1 68 68 ALA N N 15 124.446 0.000 . . . . . . . 571 A N . 50426 1 120 . 1 . 1 69 69 VAL H H 1 8.494 0.000 . . . . . . . 572 V HN . 50426 1 121 . 1 . 1 69 69 VAL N N 15 116.729 0.000 . . . . . . . 572 V N . 50426 1 122 . 1 . 1 70 70 TRP H H 1 9.007 0.000 . . . . . . . 573 W HN . 50426 1 123 . 1 . 1 70 70 TRP N N 15 121.910 0.000 . . . . . . . 573 W N . 50426 1 124 . 1 . 1 73 73 ASP H H 1 9.241 0.000 . . . . . . . 576 D HN . 50426 1 125 . 1 . 1 73 73 ASP N N 15 127.928 0.000 . . . . . . . 576 D N . 50426 1 126 . 1 . 1 74 74 GLU H H 1 8.600 0.000 . . . . . . . 577 E HN . 50426 1 127 . 1 . 1 74 74 GLU N N 15 127.181 0.000 . . . . . . . 577 E N . 50426 1 128 . 1 . 1 75 75 VAL H H 1 7.839 0.000 . . . . . . . 578 V HN . 50426 1 129 . 1 . 1 75 75 VAL N N 15 120.095 0.000 . . . . . . . 578 V N . 50426 1 130 . 1 . 1 76 76 GLU H H 1 7.541 0.000 . . . . . . . 579 E HN . 50426 1 131 . 1 . 1 76 76 GLU N N 15 119.915 0.000 . . . . . . . 579 E N . 50426 1 132 . 1 . 1 77 77 TYR H H 1 8.614 0.000 . . . . . . . 580 Y HN . 50426 1 133 . 1 . 1 77 77 TYR N N 15 121.055 0.000 . . . . . . . 580 Y N . 50426 1 134 . 1 . 1 78 78 GLN H H 1 8.129 0.000 . . . . . . . 581 Q HN . 50426 1 135 . 1 . 1 78 78 GLN N N 15 116.577 0.000 . . . . . . . 581 Q N . 50426 1 136 . 1 . 1 79 79 LYS H H 1 7.620 0.000 . . . . . . . 582 K HN . 50426 1 137 . 1 . 1 79 79 LYS N N 15 119.444 0.000 . . . . . . . 582 K N . 50426 1 138 . 1 . 1 80 80 ARG H H 1 7.521 0.000 . . . . . . . 583 R HN . 50426 1 139 . 1 . 1 80 80 ARG N N 15 118.097 0.000 . . . . . . . 583 R N . 50426 1 140 . 1 . 1 81 81 ARG H H 1 7.848 0.000 . . . . . . . 584 R HN . 50426 1 141 . 1 . 1 81 81 ARG N N 15 120.116 0.000 . . . . . . . 584 R N . 50426 1 142 . 1 . 1 82 82 SER H H 1 8.027 0.000 . . . . . . . 585 S HN . 50426 1 143 . 1 . 1 82 82 SER N N 15 115.309 0.000 . . . . . . . 585 S N . 50426 1 144 . 1 . 1 83 83 GLN H H 1 8.054 0.000 . . . . . . . 586 Q HN . 50426 1 145 . 1 . 1 83 83 GLN N N 15 121.769 0.000 . . . . . . . 586 Q N . 50426 1 146 . 1 . 1 84 84 LYS H H 1 8.183 0.000 . . . . . . . 587 K HN . 50426 1 147 . 1 . 1 84 84 LYS N N 15 122.245 0.000 . . . . . . . 587 K N . 50426 1 148 . 1 . 1 85 85 ILE H H 1 8.169 0.000 . . . . . . . 588 I HN . 50426 1 149 . 1 . 1 85 85 ILE N N 15 122.245 0.000 . . . . . . . 588 I N . 50426 1 150 . 1 . 1 86 86 THR H H 1 8.190 0.000 . . . . . . . 589 T HN . 50426 1 151 . 1 . 1 86 86 THR N N 15 118.211 0.000 . . . . . . . 589 T N . 50426 1 152 . 1 . 1 87 87 GLY H H 1 8.354 0.000 . . . . . . . 590 G HN . 50426 1 153 . 1 . 1 87 87 GLY N N 15 111.415 0.000 . . . . . . . 590 G N . 50426 1 154 . 1 . 1 88 88 SER H H 1 8.134 0.000 . . . . . . . 591 S HN . 50426 1 155 . 1 . 1 88 88 SER N N 15 116.780 0.000 . . . . . . . 591 S N . 50426 1 156 . 1 . 1 90 90 THR H H 1 8.176 0.000 . . . . . . . 593 T HN . 50426 1 157 . 1 . 1 90 90 THR N N 15 114.912 0.000 . . . . . . . 593 T N . 50426 1 158 . 1 . 1 91 91 LEU H H 1 7.827 0.000 . . . . . . . 594 L HN . 50426 1 159 . 1 . 1 91 91 LEU N N 15 130.363 0.000 . . . . . . . 594 L N . 50426 1 stop_ save_