data_27763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27763 _Entry.Title ; FoxM1 Transactivation Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-22 _Entry.Accession_date 2019-01-22 _Entry.Last_release_date 2019-01-22 _Entry.Original_release_date 2019-01-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Aimee Marceau . H. . . 27763 2 Caileen Brison . . . . 27763 3 Santrupti Nerli . . . . 27763 4 Heather Arsenault . E. . . 27763 5 Andrew McShane . C. . . 27763 6 Eefei Chen . . . . 27763 7 Hsiau-Wei Lee . . . . 27763 8 Jennifer Benanti . A. . . 27763 9 Nikolaos Sgourakis . G. . . 27763 10 Seth Rubin . M. . . 27763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 185 27763 '15N chemical shifts' 49 27763 '1H chemical shifts' 50 27763 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 . . 2019-06-13 . original BMRB . 27763 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27764 'Phosphorylated FoxM1 TAD' 27763 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31134895 _Citation.Full_citation . _Citation.Title ; An order-to-disorder structural switch activates the FoxM1 transcription factor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _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 e46131 _Citation.Page_last e46131 _Citation.Year 2019 _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 Aimee Marceau . H. . . 27763 1 2 Caileen Brison . . . . 27763 1 3 Santrupti Nerli . . . . 27763 1 4 Heather Arsenault . E. . . 27763 1 5 Andrew McShane . C. . . 27763 1 6 Eefei Chen . . . . 27763 1 7 Hsiau-Wei Lee . . . . 27763 1 8 Jennifer Benanti . A. . . 27763 1 9 Nikolaos Sgourakis . G. . . 27763 1 10 Seth Rubin . M. . . 27763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 27763 _Assembly.ID 1 _Assembly.Name 'FoxM1 TAD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FoxM1 TAD' 1 $FoxM1_TAD A . yes native no no . . . 27763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FoxM1_TAD _Entity.Sf_category entity _Entity.Sf_framecode FoxM1_TAD _Entity.Entry_ID 27763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FoxM1_TAD _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 ; GEFGAANRSLTEGFVLDTMN DSLSKILVDISFSGLEDEDL GMGNISWSQFIPELK ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 569 GLY . 27763 1 2 570 GLU . 27763 1 3 571 PHE . 27763 1 4 572 GLY . 27763 1 5 573 ALA . 27763 1 6 574 ALA . 27763 1 7 575 ASN . 27763 1 8 576 ARG . 27763 1 9 577 SER . 27763 1 10 578 LEU . 27763 1 11 579 THR . 27763 1 12 580 GLU . 27763 1 13 581 GLY . 27763 1 14 582 PHE . 27763 1 15 583 VAL . 27763 1 16 584 LEU . 27763 1 17 585 ASP . 27763 1 18 586 THR . 27763 1 19 587 MET . 27763 1 20 588 ASN . 27763 1 21 589 ASP . 27763 1 22 590 SER . 27763 1 23 591 LEU . 27763 1 24 592 SER . 27763 1 25 593 LYS . 27763 1 26 594 ILE . 27763 1 27 595 LEU . 27763 1 28 596 VAL . 27763 1 29 597 ASP . 27763 1 30 598 ILE . 27763 1 31 599 SER . 27763 1 32 600 PHE . 27763 1 33 601 SER . 27763 1 34 602 GLY . 27763 1 35 603 LEU . 27763 1 36 604 GLU . 27763 1 37 605 ASP . 27763 1 38 606 GLU . 27763 1 39 607 ASP . 27763 1 40 608 LEU . 27763 1 41 609 GLY . 27763 1 42 610 MET . 27763 1 43 611 GLY . 27763 1 44 612 ASN . 27763 1 45 613 ILE . 27763 1 46 614 SER . 27763 1 47 615 TRP . 27763 1 48 616 SER . 27763 1 49 617 GLN . 27763 1 50 618 PHE . 27763 1 51 619 ILE . 27763 1 52 620 PRO . 27763 1 53 621 GLU . 27763 1 54 622 LEU . 27763 1 55 623 LYS . 27763 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 27763 1 . GLU 2 2 27763 1 . PHE 3 3 27763 1 . GLY 4 4 27763 1 . ALA 5 5 27763 1 . ALA 6 6 27763 1 . ASN 7 7 27763 1 . ARG 8 8 27763 1 . SER 9 9 27763 1 . LEU 10 10 27763 1 . THR 11 11 27763 1 . GLU 12 12 27763 1 . GLY 13 13 27763 1 . PHE 14 14 27763 1 . VAL 15 15 27763 1 . LEU 16 16 27763 1 . ASP 17 17 27763 1 . THR 18 18 27763 1 . MET 19 19 27763 1 . ASN 20 20 27763 1 . ASP 21 21 27763 1 . SER 22 22 27763 1 . LEU 23 23 27763 1 . SER 24 24 27763 1 . LYS 25 25 27763 1 . ILE 26 26 27763 1 . LEU 27 27 27763 1 . VAL 28 28 27763 1 . ASP 29 29 27763 1 . ILE 30 30 27763 1 . SER 31 31 27763 1 . PHE 32 32 27763 1 . SER 33 33 27763 1 . GLY 34 34 27763 1 . LEU 35 35 27763 1 . GLU 36 36 27763 1 . ASP 37 37 27763 1 . GLU 38 38 27763 1 . ASP 39 39 27763 1 . LEU 40 40 27763 1 . GLY 41 41 27763 1 . MET 42 42 27763 1 . GLY 43 43 27763 1 . ASN 44 44 27763 1 . ILE 45 45 27763 1 . SER 46 46 27763 1 . TRP 47 47 27763 1 . SER 48 48 27763 1 . GLN 49 49 27763 1 . PHE 50 50 27763 1 . ILE 51 51 27763 1 . PRO 52 52 27763 1 . GLU 53 53 27763 1 . LEU 54 54 27763 1 . LYS 55 55 27763 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27763 _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 $FoxM1_TAD . 7955 organism . 'Danio rerio' zebrafish . . Eukaryota Metazoa Danio rerio . . . . . . . . . . . . . 27763 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27763 _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 $FoxM1_TAD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEV . . . 27763 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27763 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FoxM1 TAD' '[U-100% 13C; U-100% 15N]' . . 1 $FoxM1_TAD . . 450 . . mM . . . . 27763 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 27763 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27763 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27763 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 27763 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20 mM Sodium Phosphate 100 mM Sodium Chloride ; 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' 100 . mM 27763 1 pH 6.3 . pH 27763 1 pressure 1 . atm 27763 1 temperature 298 . K 27763 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27763 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27763 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27763 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27763 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27763 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27763 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27763 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27763 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27763 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27763 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27763 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27763 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27763 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27763 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27763 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27763 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27763 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 27763 _Chem_shift_reference.ID 1 _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 . . . . . 27763 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27763 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27763 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 27763 _Assigned_chem_shift_list.ID 1 _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' . . . 27763 1 2 '3D HNCACB' . . . 27763 1 3 '3D HNCO' . . . 27763 1 4 '3D CBCA(CO)NH' . . . 27763 1 5 '3D C(CO)NH' . . . 27763 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 2 2 GLU C C 13 176.237 0.000 . . . . . . . 570 E C . 27763 1 2 . 1 1 2 2 GLU CA C 13 56.513 0.013 . . . . . . . 570 E CA . 27763 1 3 . 1 1 2 2 GLU CB C 13 30.528 0.000 . . . . . . . 570 E CB . 27763 1 4 . 1 1 2 2 GLU CG C 13 35.806 0.000 . . . . . . . 570 E CG . 27763 1 5 . 1 1 3 3 PHE H H 1 8.513 0.004 . . . . . . . 571 F H . 27763 1 6 . 1 1 3 3 PHE C C 13 176.376 0.000 . . . . . . . 571 F C . 27763 1 7 . 1 1 3 3 PHE CA C 13 58.033 0.019 . . . . . . . 571 F CA . 27763 1 8 . 1 1 3 3 PHE CB C 13 39.424 0.070 . . . . . . . 571 F CB . 27763 1 9 . 1 1 3 3 PHE N N 15 121.417 0.020 . . . . . . . 571 F N . 27763 1 10 . 1 1 4 4 GLY H H 1 8.323 0.002 . . . . . . . 572 G H . 27763 1 11 . 1 1 4 4 GLY C C 13 173.775 0.000 . . . . . . . 572 G C . 27763 1 12 . 1 1 4 4 GLY CA C 13 45.298 0.022 . . . . . . . 572 G CA . 27763 1 13 . 1 1 4 4 GLY N N 15 111.136 0.023 . . . . . . . 572 G N . 27763 1 14 . 1 1 5 5 ALA H H 1 8.056 0.001 . . . . . . . 573 A H . 27763 1 15 . 1 1 5 5 ALA C C 13 177.476 0.000 . . . . . . . 573 A C . 27763 1 16 . 1 1 5 5 ALA CA C 13 52.504 0.020 . . . . . . . 573 A CA . 27763 1 17 . 1 1 5 5 ALA CB C 13 19.392 0.077 . . . . . . . 573 A CB . 27763 1 18 . 1 1 5 5 ALA N N 15 123.853 0.008 . . . . . . . 573 A N . 27763 1 19 . 1 1 6 6 ALA H H 1 8.268 0.001 . . . . . . . 574 A H . 27763 1 20 . 1 1 6 6 ALA C C 13 177.434 0.000 . . . . . . . 574 A C . 27763 1 21 . 1 1 6 6 ALA CA C 13 52.573 0.023 . . . . . . . 574 A CA . 27763 1 22 . 1 1 6 6 ALA CB C 13 19.235 0.082 . . . . . . . 574 A CB . 27763 1 23 . 1 1 6 6 ALA N N 15 122.706 0.015 . . . . . . . 574 A N . 27763 1 24 . 1 1 7 7 ASN H H 1 8.302 0.001 . . . . . . . 575 N H . 27763 1 25 . 1 1 7 7 ASN C C 13 174.071 0.000 . . . . . . . 575 N C . 27763 1 26 . 1 1 7 7 ASN CA C 13 53.345 0.031 . . . . . . . 575 N CA . 27763 1 27 . 1 1 7 7 ASN CB C 13 38.875 0.060 . . . . . . . 575 N CB . 27763 1 28 . 1 1 7 7 ASN N N 15 117.815 0.011 . . . . . . . 575 N N . 27763 1 29 . 1 1 8 8 ARG H H 1 7.814 0.000 . . . . . . . 576 R H . 27763 1 30 . 1 1 8 8 ARG CA C 13 57.474 0.000 . . . . . . . 576 R CA . 27763 1 31 . 1 1 8 8 ARG CB C 13 31.586 0.000 . . . . . . . 576 R CB . 27763 1 32 . 1 1 8 8 ARG N N 15 125.827 0.012 . . . . . . . 576 R N . 27763 1 33 . 1 1 10 10 LEU C C 13 177.452 0.000 . . . . . . . 578 L C . 27763 1 34 . 1 1 10 10 LEU CA C 13 55.730 0.031 . . . . . . . 578 L CA . 27763 1 35 . 1 1 10 10 LEU CB C 13 42.413 0.045 . . . . . . . 578 L CB . 27763 1 36 . 1 1 10 10 LEU CG C 13 27.027 0.000 . . . . . . . 578 L CG . 27763 1 37 . 1 1 10 10 LEU CD1 C 13 24.805 0.000 . . . . . . . 578 L CD1 . 27763 1 38 . 1 1 10 10 LEU CD2 C 13 23.561 0.000 . . . . . . . 578 L CD2 . 27763 1 39 . 1 1 11 11 THR H H 1 8.153 0.001 . . . . . . . 579 T H . 27763 1 40 . 1 1 11 11 THR C C 13 174.416 0.000 . . . . . . . 579 T C . 27763 1 41 . 1 1 11 11 THR CA C 13 61.929 0.044 . . . . . . . 579 T CA . 27763 1 42 . 1 1 11 11 THR CB C 13 69.708 0.054 . . . . . . . 579 T CB . 27763 1 43 . 1 1 11 11 THR CG2 C 13 21.502 0.000 . . . . . . . 579 T CG2 . 27763 1 44 . 1 1 11 11 THR N N 15 114.482 0.006 . . . . . . . 579 T N . 27763 1 45 . 1 1 12 12 GLU H H 1 8.284 0.003 . . . . . . . 580 E H . 27763 1 46 . 1 1 12 12 GLU C C 13 176.596 0.000 . . . . . . . 580 E C . 27763 1 47 . 1 1 12 12 GLU CA C 13 56.819 0.009 . . . . . . . 580 E CA . 27763 1 48 . 1 1 12 12 GLU CB C 13 30.419 0.004 . . . . . . . 580 E CB . 27763 1 49 . 1 1 12 12 GLU CG C 13 36.049 0.000 . . . . . . . 580 E CG . 27763 1 50 . 1 1 12 12 GLU N N 15 123.241 0.015 . . . . . . . 580 E N . 27763 1 51 . 1 1 13 13 GLY H H 1 8.363 0.000 . . . . . . . 581 G H . 27763 1 52 . 1 1 13 13 GLY C C 13 173.577 0.000 . . . . . . . 581 G C . 27763 1 53 . 1 1 13 13 GLY CA C 13 45.235 0.019 . . . . . . . 581 G CA . 27763 1 54 . 1 1 13 13 GLY N N 15 109.864 0.006 . . . . . . . 581 G N . 27763 1 55 . 1 1 14 14 PHE H H 1 7.981 0.001 . . . . . . . 582 F H . 27763 1 56 . 1 1 14 14 PHE C C 13 175.400 0.000 . . . . . . . 582 F C . 27763 1 57 . 1 1 14 14 PHE CA C 13 57.714 0.015 . . . . . . . 582 F CA . 27763 1 58 . 1 1 14 14 PHE CB C 13 39.778 0.071 . . . . . . . 582 F CB . 27763 1 59 . 1 1 14 14 PHE N N 15 120.006 0.007 . . . . . . . 582 F N . 27763 1 60 . 1 1 15 15 VAL H H 1 8.053 0.001 . . . . . . . 583 V H . 27763 1 61 . 1 1 15 15 VAL C C 13 175.483 0.000 . . . . . . . 583 V C . 27763 1 62 . 1 1 15 15 VAL CA C 13 62.164 0.038 . . . . . . . 583 V CA . 27763 1 63 . 1 1 15 15 VAL CB C 13 33.063 0.086 . . . . . . . 583 V CB . 27763 1 64 . 1 1 15 15 VAL N N 15 122.911 0.093 . . . . . . . 583 V N . 27763 1 65 . 1 1 16 16 LEU H H 1 8.220 0.001 . . . . . . . 584 L H . 27763 1 66 . 1 1 16 16 LEU C C 13 176.886 0.000 . . . . . . . 584 L C . 27763 1 67 . 1 1 16 16 LEU CA C 13 55.210 0.047 . . . . . . . 584 L CA . 27763 1 68 . 1 1 16 16 LEU CB C 13 42.630 0.039 . . . . . . . 584 L CB . 27763 1 69 . 1 1 16 16 LEU CG C 13 27.104 0.000 . . . . . . . 584 L CG . 27763 1 70 . 1 1 16 16 LEU CD1 C 13 24.690 0.000 . . . . . . . 584 L CD1 . 27763 1 71 . 1 1 16 16 LEU CD2 C 13 24.140 0.000 . . . . . . . 584 L CD2 . 27763 1 72 . 1 1 16 16 LEU N N 15 126.280 0.029 . . . . . . . 584 L N . 27763 1 73 . 1 1 17 17 ASP H H 1 8.355 0.001 . . . . . . . 585 D H . 27763 1 74 . 1 1 17 17 ASP C C 13 176.526 0.000 . . . . . . . 585 D C . 27763 1 75 . 1 1 17 17 ASP CA C 13 54.416 0.047 . . . . . . . 585 D CA . 27763 1 76 . 1 1 17 17 ASP CB C 13 41.196 0.045 . . . . . . . 585 D CB . 27763 1 77 . 1 1 17 17 ASP N N 15 121.918 0.021 . . . . . . . 585 D N . 27763 1 78 . 1 1 18 18 THR H H 1 8.024 0.001 . . . . . . . 586 T H . 27763 1 79 . 1 1 18 18 THR C C 13 174.937 0.000 . . . . . . . 586 T C . 27763 1 80 . 1 1 18 18 THR CA C 13 62.157 0.025 . . . . . . . 586 T CA . 27763 1 81 . 1 1 18 18 THR CB C 13 69.593 0.057 . . . . . . . 586 T CB . 27763 1 82 . 1 1 18 18 THR CG2 C 13 21.542 0.000 . . . . . . . 586 T CG2 . 27763 1 83 . 1 1 18 18 THR N N 15 113.707 0.012 . . . . . . . 586 T N . 27763 1 84 . 1 1 19 19 MET H H 1 8.315 0.004 . . . . . . . 587 M H . 27763 1 85 . 1 1 19 19 MET C C 13 176.126 0.000 . . . . . . . 587 M C . 27763 1 86 . 1 1 19 19 MET CA C 13 55.900 0.023 . . . . . . . 587 M CA . 27763 1 87 . 1 1 19 19 MET CB C 13 32.573 0.105 . . . . . . . 587 M CB . 27763 1 88 . 1 1 19 19 MET CG C 13 32.040 0.000 . . . . . . . 587 M CG . 27763 1 89 . 1 1 19 19 MET N N 15 121.735 0.035 . . . . . . . 587 M N . 27763 1 90 . 1 1 20 20 ASN H H 1 8.291 0.002 . . . . . . . 588 N H . 27763 1 91 . 1 1 20 20 ASN C C 13 175.077 0.000 . . . . . . . 588 N C . 27763 1 92 . 1 1 20 20 ASN CA C 13 53.532 0.044 . . . . . . . 588 N CA . 27763 1 93 . 1 1 20 20 ASN CB C 13 39.071 0.048 . . . . . . . 588 N CB . 27763 1 94 . 1 1 20 20 ASN N N 15 119.420 0.034 . . . . . . . 588 N N . 27763 1 95 . 1 1 21 21 ASP H H 1 8.319 0.002 . . . . . . . 589 D H . 27763 1 96 . 1 1 21 21 ASP C C 13 176.523 0.000 . . . . . . . 589 D C . 27763 1 97 . 1 1 21 21 ASP CA C 13 54.692 0.081 . . . . . . . 589 D CA . 27763 1 98 . 1 1 21 21 ASP CB C 13 41.109 0.048 . . . . . . . 589 D CB . 27763 1 99 . 1 1 21 21 ASP N N 15 121.171 0.024 . . . . . . . 589 D N . 27763 1 100 . 1 1 22 22 SER H H 1 8.242 0.004 . . . . . . . 590 S H . 27763 1 101 . 1 1 22 22 SER C C 13 174.691 0.000 . . . . . . . 590 S C . 27763 1 102 . 1 1 22 22 SER CA C 13 59.102 0.054 . . . . . . . 590 S CA . 27763 1 103 . 1 1 22 22 SER CB C 13 63.698 0.055 . . . . . . . 590 S CB . 27763 1 104 . 1 1 22 22 SER N N 15 115.729 0.025 . . . . . . . 590 S N . 27763 1 105 . 1 1 23 23 LEU H H 1 8.119 0.000 . . . . . . . 591 L H . 27763 1 106 . 1 1 23 23 LEU C C 13 177.435 0.000 . . . . . . . 591 L C . 27763 1 107 . 1 1 23 23 LEU CA C 13 55.389 0.120 . . . . . . . 591 L CA . 27763 1 108 . 1 1 23 23 LEU CB C 13 42.243 0.049 . . . . . . . 591 L CB . 27763 1 109 . 1 1 23 23 LEU CG C 13 26.906 0.000 . . . . . . . 591 L CG . 27763 1 110 . 1 1 23 23 LEU CD1 C 13 25.011 0.000 . . . . . . . 591 L CD1 . 27763 1 111 . 1 1 23 23 LEU CD2 C 13 23.322 0.000 . . . . . . . 591 L CD2 . 27763 1 112 . 1 1 23 23 LEU N N 15 123.027 0.027 . . . . . . . 591 L N . 27763 1 113 . 1 1 24 24 SER H H 1 8.135 0.001 . . . . . . . 592 S H . 27763 1 114 . 1 1 24 24 SER C C 13 173.445 0.000 . . . . . . . 592 S C . 27763 1 115 . 1 1 24 24 SER CA C 13 58.444 0.055 . . . . . . . 592 S CA . 27763 1 116 . 1 1 24 24 SER CB C 13 63.831 0.040 . . . . . . . 592 S CB . 27763 1 117 . 1 1 24 24 SER N N 15 116.549 0.235 . . . . . . . 592 S N . 27763 1 118 . 1 1 25 25 LYS H H 1 7.879 0.001 . . . . . . . 593 K H . 27763 1 119 . 1 1 25 25 LYS CA C 13 56.919 0.576 . . . . . . . 593 K CA . 27763 1 120 . 1 1 25 25 LYS CB C 13 33.376 0.389 . . . . . . . 593 K CB . 27763 1 121 . 1 1 25 25 LYS N N 15 128.289 0.014 . . . . . . . 593 K N . 27763 1 122 . 1 1 26 26 ILE H H 1 7.945 0.001 . . . . . . . 594 I H . 27763 1 123 . 1 1 26 26 ILE CA C 13 61.443 0.049 . . . . . . . 594 I CA . 27763 1 124 . 1 1 26 26 ILE CB C 13 38.647 0.049 . . . . . . . 594 I CB . 27763 1 125 . 1 1 26 26 ILE N N 15 121.151 0.009 . . . . . . . 594 I N . 27763 1 126 . 1 1 27 27 LEU H H 1 8.195 0.002 . . . . . . . 595 L H . 27763 1 127 . 1 1 27 27 LEU C C 13 176.441 0.000 . . . . . . . 595 L C . 27763 1 128 . 1 1 27 27 LEU CA C 13 55.157 0.019 . . . . . . . 595 L CA . 27763 1 129 . 1 1 27 27 LEU CB C 13 42.376 0.107 . . . . . . . 595 L CB . 27763 1 130 . 1 1 27 27 LEU CG C 13 27.047 0.000 . . . . . . . 595 L CG . 27763 1 131 . 1 1 27 27 LEU CD1 C 13 24.700 0.000 . . . . . . . 595 L CD1 . 27763 1 132 . 1 1 27 27 LEU CD2 C 13 24.280 0.000 . . . . . . . 595 L CD2 . 27763 1 133 . 1 1 27 27 LEU N N 15 125.820 0.036 . . . . . . . 595 L N . 27763 1 134 . 1 1 28 28 VAL H H 1 8.211 0.001 . . . . . . . 596 V H . 27763 1 135 . 1 1 28 28 VAL C C 13 175.254 0.000 . . . . . . . 596 V C . 27763 1 136 . 1 1 28 28 VAL CA C 13 62.049 0.030 . . . . . . . 596 V CA . 27763 1 137 . 1 1 28 28 VAL CB C 13 33.103 0.100 . . . . . . . 596 V CB . 27763 1 138 . 1 1 28 28 VAL CG1 C 13 20.814 0.000 . . . . . . . 596 V CG1 . 27763 1 139 . 1 1 28 28 VAL CG2 C 13 20.455 0.000 . . . . . . . 596 V CG2 . 27763 1 140 . 1 1 28 28 VAL N N 15 122.105 0.019 . . . . . . . 596 V N . 27763 1 141 . 1 1 29 29 ASP H H 1 8.336 0.000 . . . . . . . 597 D H . 27763 1 142 . 1 1 29 29 ASP C C 13 176.150 0.000 . . . . . . . 597 D C . 27763 1 143 . 1 1 29 29 ASP CA C 13 54.119 0.049 . . . . . . . 597 D CA . 27763 1 144 . 1 1 29 29 ASP CB C 13 41.387 0.037 . . . . . . . 597 D CB . 27763 1 145 . 1 1 29 29 ASP N N 15 124.309 0.008 . . . . . . . 597 D N . 27763 1 146 . 1 1 30 30 ILE H H 1 8.088 0.001 . . . . . . . 598 I H . 27763 1 147 . 1 1 30 30 ILE C C 13 176.128 0.000 . . . . . . . 598 I C . 27763 1 148 . 1 1 30 30 ILE CA C 13 61.394 0.033 . . . . . . . 598 I CA . 27763 1 149 . 1 1 30 30 ILE CB C 13 38.831 0.111 . . . . . . . 598 I CB . 27763 1 150 . 1 1 30 30 ILE CG1 C 13 27.109 0.000 . . . . . . . 598 I CG1 . 27763 1 151 . 1 1 30 30 ILE CG2 C 13 17.561 0.000 . . . . . . . 598 I CG2 . 27763 1 152 . 1 1 30 30 ILE CD1 C 13 13.382 0.000 . . . . . . . 598 I CD1 . 27763 1 153 . 1 1 30 30 ILE N N 15 121.148 0.013 . . . . . . . 598 I N . 27763 1 154 . 1 1 31 31 SER H H 1 8.336 0.001 . . . . . . . 599 S H . 27763 1 155 . 1 1 31 31 SER C C 13 174.199 0.000 . . . . . . . 599 S C . 27763 1 156 . 1 1 31 31 SER CA C 13 58.661 0.058 . . . . . . . 599 S CA . 27763 1 157 . 1 1 31 31 SER CB C 13 63.802 0.033 . . . . . . . 599 S CB . 27763 1 158 . 1 1 31 31 SER N N 15 119.174 0.024 . . . . . . . 599 S N . 27763 1 159 . 1 1 32 32 PHE H H 1 8.180 0.000 . . . . . . . 600 F H . 27763 1 160 . 1 1 32 32 PHE C C 13 175.787 0.000 . . . . . . . 600 F C . 27763 1 161 . 1 1 32 32 PHE CA C 13 57.870 0.073 . . . . . . . 600 F CA . 27763 1 162 . 1 1 32 32 PHE CB C 13 39.560 0.055 . . . . . . . 600 F CB . 27763 1 163 . 1 1 32 32 PHE N N 15 122.339 0.011 . . . . . . . 600 F N . 27763 1 164 . 1 1 33 33 SER H H 1 8.335 0.004 . . . . . . . 601 S H . 27763 1 165 . 1 1 33 33 SER C C 13 174.802 0.000 . . . . . . . 601 S C . 27763 1 166 . 1 1 33 33 SER CA C 13 58.619 0.038 . . . . . . . 601 S CA . 27763 1 167 . 1 1 33 33 SER CB C 13 64.004 0.035 . . . . . . . 601 S CB . 27763 1 168 . 1 1 33 33 SER N N 15 117.995 0.008 . . . . . . . 601 S N . 27763 1 169 . 1 1 34 34 GLY H H 1 7.978 0.003 . . . . . . . 602 G H . 27763 1 170 . 1 1 34 34 GLY C C 13 174.002 0.000 . . . . . . . 602 G C . 27763 1 171 . 1 1 34 34 GLY CA C 13 45.432 0.020 . . . . . . . 602 G CA . 27763 1 172 . 1 1 34 34 GLY N N 15 110.705 0.010 . . . . . . . 602 G N . 27763 1 173 . 1 1 35 35 LEU H H 1 8.022 0.003 . . . . . . . 603 L H . 27763 1 174 . 1 1 35 35 LEU C C 13 177.487 0.000 . . . . . . . 603 L C . 27763 1 175 . 1 1 35 35 LEU CA C 13 55.127 0.054 . . . . . . . 603 L CA . 27763 1 176 . 1 1 35 35 LEU CB C 13 42.497 0.047 . . . . . . . 603 L CB . 27763 1 177 . 1 1 35 35 LEU CG C 13 26.906 0.000 . . . . . . . 603 L CG . 27763 1 178 . 1 1 35 35 LEU CD1 C 13 25.026 0.000 . . . . . . . 603 L CD1 . 27763 1 179 . 1 1 35 35 LEU CD2 C 13 23.357 0.000 . . . . . . . 603 L CD2 . 27763 1 180 . 1 1 35 35 LEU N N 15 121.244 0.019 . . . . . . . 603 L N . 27763 1 181 . 1 1 36 36 GLU H H 1 8.518 0.001 . . . . . . . 604 E H . 27763 1 182 . 1 1 36 36 GLU C C 13 176.234 0.000 . . . . . . . 604 E C . 27763 1 183 . 1 1 36 36 GLU CA C 13 56.791 0.023 . . . . . . . 604 E CA . 27763 1 184 . 1 1 36 36 GLU CB C 13 30.153 0.020 . . . . . . . 604 E CB . 27763 1 185 . 1 1 36 36 GLU CG C 13 36.016 0.000 . . . . . . . 604 E CG . 27763 1 186 . 1 1 36 36 GLU N N 15 121.094 0.021 . . . . . . . 604 E N . 27763 1 187 . 1 1 37 37 ASP H H 1 8.254 0.000 . . . . . . . 605 D H . 27763 1 188 . 1 1 37 37 ASP CA C 13 54.859 0.279 . . . . . . . 605 D CA . 27763 1 189 . 1 1 37 37 ASP CB C 13 41.856 0.673 . . . . . . . 605 D CB . 27763 1 190 . 1 1 37 37 ASP N N 15 120.692 0.018 . . . . . . . 605 D N . 27763 1 191 . 1 1 38 38 GLU H H 1 8.333 0.151 . . . . . . . 606 E H . 27763 1 192 . 1 1 38 38 GLU C C 13 176.187 0.000 . . . . . . . 606 E C . 27763 1 193 . 1 1 38 38 GLU CA C 13 56.959 0.040 . . . . . . . 606 E CA . 27763 1 194 . 1 1 38 38 GLU CB C 13 30.406 0.016 . . . . . . . 606 E CB . 27763 1 195 . 1 1 38 38 GLU CG C 13 35.950 0.000 . . . . . . . 606 E CG . 27763 1 196 . 1 1 38 38 GLU N N 15 122.107 0.847 . . . . . . . 606 E N . 27763 1 197 . 1 1 39 39 ASP H H 1 8.373 0.000 . . . . . . . 607 D H . 27763 1 198 . 1 1 39 39 ASP C C 13 176.562 0.000 . . . . . . . 607 D C . 27763 1 199 . 1 1 39 39 ASP CA C 13 54.404 0.041 . . . . . . . 607 D CA . 27763 1 200 . 1 1 39 39 ASP CB C 13 41.134 0.083 . . . . . . . 607 D CB . 27763 1 201 . 1 1 39 39 ASP N N 15 121.112 0.007 . . . . . . . 607 D N . 27763 1 202 . 1 1 40 40 LEU H H 1 8.207 0.001 . . . . . . . 608 L H . 27763 1 203 . 1 1 40 40 LEU C C 13 178.245 0.000 . . . . . . . 608 L C . 27763 1 204 . 1 1 40 40 LEU CA C 13 55.572 0.044 . . . . . . . 608 L CA . 27763 1 205 . 1 1 40 40 LEU CB C 13 41.972 0.051 . . . . . . . 608 L CB . 27763 1 206 . 1 1 40 40 LEU CG C 13 26.831 0.000 . . . . . . . 608 L CG . 27763 1 207 . 1 1 40 40 LEU CD1 C 13 25.116 0.000 . . . . . . . 608 L CD1 . 27763 1 208 . 1 1 40 40 LEU CD2 C 13 23.145 0.000 . . . . . . . 608 L CD2 . 27763 1 209 . 1 1 40 40 LEU N N 15 123.024 0.021 . . . . . . . 608 L N . 27763 1 210 . 1 1 41 41 GLY H H 1 8.399 0.001 . . . . . . . 609 G H . 27763 1 211 . 1 1 41 41 GLY C C 13 174.733 0.000 . . . . . . . 609 G C . 27763 1 212 . 1 1 41 41 GLY CA C 13 45.766 0.022 . . . . . . . 609 G CA . 27763 1 213 . 1 1 41 41 GLY N N 15 108.541 0.033 . . . . . . . 609 G N . 27763 1 214 . 1 1 42 42 MET H H 1 8.150 0.000 . . . . . . . 610 M H . 27763 1 215 . 1 1 42 42 MET C C 13 176.914 0.000 . . . . . . . 610 M C . 27763 1 216 . 1 1 42 42 MET CA C 13 55.766 0.012 . . . . . . . 610 M CA . 27763 1 217 . 1 1 42 42 MET CB C 13 32.490 0.265 . . . . . . . 610 M CB . 27763 1 218 . 1 1 42 42 MET N N 15 119.284 0.010 . . . . . . . 610 M N . 27763 1 219 . 1 1 43 43 GLY H H 1 8.411 0.000 . . . . . . . 611 G H . 27763 1 220 . 1 1 43 43 GLY C C 13 173.898 0.000 . . . . . . . 611 G C . 27763 1 221 . 1 1 43 43 GLY CA C 13 45.498 0.020 . . . . . . . 611 G CA . 27763 1 222 . 1 1 43 43 GLY N N 15 109.048 0.027 . . . . . . . 611 G N . 27763 1 223 . 1 1 44 44 ASN H H 1 8.182 0.000 . . . . . . . 612 N H . 27763 1 224 . 1 1 44 44 ASN C C 13 175.241 0.000 . . . . . . . 612 N C . 27763 1 225 . 1 1 44 44 ASN CA C 13 53.252 0.032 . . . . . . . 612 N CA . 27763 1 226 . 1 1 44 44 ASN CB C 13 38.873 0.063 . . . . . . . 612 N CB . 27763 1 227 . 1 1 44 44 ASN N N 15 118.570 0.008 . . . . . . . 612 N N . 27763 1 228 . 1 1 45 45 ILE H H 1 8.024 0.002 . . . . . . . 613 I H . 27763 1 229 . 1 1 45 45 ILE C C 13 176.201 0.000 . . . . . . . 613 I C . 27763 1 230 . 1 1 45 45 ILE CA C 13 61.352 0.047 . . . . . . . 613 I CA . 27763 1 231 . 1 1 45 45 ILE CB C 13 38.837 0.141 . . . . . . . 613 I CB . 27763 1 232 . 1 1 45 45 ILE CG1 C 13 27.206 0.000 . . . . . . . 613 I CG1 . 27763 1 233 . 1 1 45 45 ILE CG2 C 13 17.270 0.000 . . . . . . . 613 I CG2 . 27763 1 234 . 1 1 45 45 ILE CD1 C 13 13.087 0.000 . . . . . . . 613 I CD1 . 27763 1 235 . 1 1 45 45 ILE N N 15 120.862 0.009 . . . . . . . 613 I N . 27763 1 236 . 1 1 46 46 SER H H 1 8.255 0.001 . . . . . . . 614 S H . 27763 1 237 . 1 1 46 46 SER C C 13 174.411 0.000 . . . . . . . 614 S C . 27763 1 238 . 1 1 46 46 SER CA C 13 58.334 0.048 . . . . . . . 614 S CA . 27763 1 239 . 1 1 46 46 SER CB C 13 63.664 0.035 . . . . . . . 614 S CB . 27763 1 240 . 1 1 46 46 SER N N 15 119.201 0.017 . . . . . . . 614 S N . 27763 1 241 . 1 1 47 47 TRP H H 1 8.074 0.001 . . . . . . . 615 W H . 27763 1 242 . 1 1 47 47 TRP HE1 H 1 10.101 0.000 . . . . . . . 615 W HE1 . 27763 1 243 . 1 1 47 47 TRP C C 13 176.330 0.000 . . . . . . . 615 W C . 27763 1 244 . 1 1 47 47 TRP CA C 13 57.601 0.038 . . . . . . . 615 W CA . 27763 1 245 . 1 1 47 47 TRP CB C 13 29.598 0.035 . . . . . . . 615 W CB . 27763 1 246 . 1 1 47 47 TRP N N 15 123.910 1.738 . . . . . . . 615 W N . 27763 1 247 . 1 1 48 48 SER H H 1 7.967 0.003 . . . . . . . 616 S H . 27763 1 248 . 1 1 48 48 SER C C 13 174.106 0.000 . . . . . . . 616 S C . 27763 1 249 . 1 1 48 48 SER CA C 13 58.589 0.026 . . . . . . . 616 S CA . 27763 1 250 . 1 1 48 48 SER CB C 13 63.744 0.032 . . . . . . . 616 S CB . 27763 1 251 . 1 1 48 48 SER N N 15 116.599 0.018 . . . . . . . 616 S N . 27763 1 252 . 1 1 49 49 GLN H H 1 8.036 0.003 . . . . . . . 617 Q H . 27763 1 253 . 1 1 49 49 GLN C C 13 175.226 0.000 . . . . . . . 617 Q C . 27763 1 254 . 1 1 49 49 GLN CA C 13 55.960 0.020 . . . . . . . 617 Q CA . 27763 1 255 . 1 1 49 49 GLN CB C 13 29.420 0.008 . . . . . . . 617 Q CB . 27763 1 256 . 1 1 49 49 GLN CG C 13 33.558 0.000 . . . . . . . 617 Q CG . 27763 1 257 . 1 1 49 49 GLN N N 15 121.294 0.018 . . . . . . . 617 Q N . 27763 1 258 . 1 1 50 50 PHE H H 1 8.070 0.004 . . . . . . . 618 F H . 27763 1 259 . 1 1 50 50 PHE CA C 13 57.665 0.000 . . . . . . . 618 F CA . 27763 1 260 . 1 1 50 50 PHE CB C 13 39.659 0.000 . . . . . . . 618 F CB . 27763 1 261 . 1 1 50 50 PHE N N 15 121.196 0.042 . . . . . . . 618 F N . 27763 1 262 . 1 1 52 52 PRO C C 13 176.543 0.000 . . . . . . . 620 P C . 27763 1 263 . 1 1 52 52 PRO CA C 13 63.158 0.030 . . . . . . . 620 P CA . 27763 1 264 . 1 1 52 52 PRO CB C 13 32.196 0.042 . . . . . . . 620 P CB . 27763 1 265 . 1 1 52 52 PRO CG C 13 27.232 0.000 . . . . . . . 620 P CG . 27763 1 266 . 1 1 52 52 PRO CD C 13 50.843 0.000 . . . . . . . 620 P CD . 27763 1 267 . 1 1 53 53 GLU H H 1 8.373 0.001 . . . . . . . 621 E H . 27763 1 268 . 1 1 53 53 GLU C C 13 176.138 0.000 . . . . . . . 621 E C . 27763 1 269 . 1 1 53 53 GLU CA C 13 56.521 0.014 . . . . . . . 621 E CA . 27763 1 270 . 1 1 53 53 GLU CB C 13 30.469 0.011 . . . . . . . 621 E CB . 27763 1 271 . 1 1 53 53 GLU CG C 13 36.154 0.000 . . . . . . . 621 E CG . 27763 1 272 . 1 1 53 53 GLU N N 15 120.715 0.033 . . . . . . . 621 E N . 27763 1 273 . 1 1 54 54 LEU H H 1 8.230 0.000 . . . . . . . 622 L H . 27763 1 274 . 1 1 54 54 LEU C C 13 176.054 0.000 . . . . . . . 622 L C . 27763 1 275 . 1 1 54 54 LEU CA C 13 55.142 0.021 . . . . . . . 622 L CA . 27763 1 276 . 1 1 54 54 LEU CB C 13 42.188 0.048 . . . . . . . 622 L CB . 27763 1 277 . 1 1 54 54 LEU CG C 13 26.897 0.000 . . . . . . . 622 L CG . 27763 1 278 . 1 1 54 54 LEU CD1 C 13 24.939 0.000 . . . . . . . 622 L CD1 . 27763 1 279 . 1 1 54 54 LEU CD2 C 13 23.593 0.000 . . . . . . . 622 L CD2 . 27763 1 280 . 1 1 54 54 LEU N N 15 124.595 0.008 . . . . . . . 622 L N . 27763 1 281 . 1 1 55 55 LYS H H 1 7.850 0.001 . . . . . . . 623 K H . 27763 1 282 . 1 1 55 55 LYS CA C 13 57.501 0.000 . . . . . . . 623 K CA . 27763 1 283 . 1 1 55 55 LYS CB C 13 33.931 0.000 . . . . . . . 623 K CB . 27763 1 284 . 1 1 55 55 LYS N N 15 127.841 0.011 . . . . . . . 623 K N . 27763 1 stop_ save_