data_28091 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28091 _Entry.Title ; Retinoblastoma-like protein 1 / p107 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-03 _Entry.Accession_date 2020-03-03 _Entry.Last_release_date 2020-03-04 _Entry.Original_release_date 2020-03-04 _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 'Intrinsically disordered spacer of Retinoblastoma-like protein 1 (P107).' _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 Xinru Wang . . . . 28091 2 Rebecca Page . . . . 28091 3 Wolfgang Peti . . . . 28091 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Peti group, the University of Arizona' . 28091 2 . 'Page group, the University of Arizona' . 28091 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28091 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 147 28091 '15N chemical shifts' 65 28091 '1H chemical shifts' 65 28091 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 2 . . 2021-10-21 2020-03-03 update author 'update entry citation' 28091 1 . . 2021-09-20 2020-03-03 original author 'original release' 28091 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28091 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34661528 _Citation.DOI 10.7554/eLife.63181 _Citation.Full_citation . _Citation.Title ; B55/PP2A substrate recruitment as defined by the retinoblastoma-related protein p107 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _Citation.Journal_name_full . _Citation.Journal_volume 10 _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 e63181 _Citation.Page_last e63181 _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 Holly Fowle H. . . . 28091 1 2 Ziran Zhao Z. . . . 28091 1 3 Qifang Xu Q. . . . 28091 1 4 Jason Wasserman J. S. . . 28091 1 5 Xinru Wang X. . . . 28091 1 6 Mary Adeyemi M. . . . 28091 1 7 Felicity Feiser F. . . . 28091 1 8 Alison Kurimchak A. N. . . 28091 1 9 Diba Atar D. . . . 28091 1 10 Brennan McEwan B. C. . . 28091 1 11 Arminja Kettenbach A. N. . . 28091 1 12 Rebecca Page R. . . . 28091 1 13 Wolfgang Peti W. . . . 28091 1 14 Roland Dunbrack R. L. Jr . 28091 1 15 Xavier Grana X. . . . 28091 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Dephosphorylation 28091 1 P107 28091 1 PP2A-B55 28091 1 SLiM 28091 1 Substrate 28091 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28091 _Assembly.ID 1 _Assembly.Name p107 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 p107 1 $p107 A . yes native no no . . . 28091 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p107 _Entity.Sf_category entity _Entity.Sf_framecode p107 _Entity.Entry_ID 28091 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p107 _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 ; GHMPMSPLMHPRVKEVRTDS GSLRRDMQPLSPISVHERYS SPTAGSAKRRLFGEDPPKEM LMDKIITEGTKLKIAPSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residue 1-2 represent a cloning artifact. Residue 3-78 represent human p107 residue 612-687. ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'The intrinsically disordered spacer region of p107' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UniprotKB P28749 . 'Retinoblastoma-like protein 1/RBL1' . . . . . . . . . . . . . . 28091 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cell division regulator' 28091 1 stop_ 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 . GLY . 28091 1 2 . HIS . 28091 1 3 . MET . 28091 1 4 . PRO . 28091 1 5 . MET . 28091 1 6 . SER . 28091 1 7 . PRO . 28091 1 8 . LEU . 28091 1 9 . MET . 28091 1 10 . HIS . 28091 1 11 . PRO . 28091 1 12 . ARG . 28091 1 13 . VAL . 28091 1 14 . LYS . 28091 1 15 . GLU . 28091 1 16 . VAL . 28091 1 17 . ARG . 28091 1 18 . THR . 28091 1 19 . ASP . 28091 1 20 . SER . 28091 1 21 . GLY . 28091 1 22 . SER . 28091 1 23 . LEU . 28091 1 24 . ARG . 28091 1 25 . ARG . 28091 1 26 . ASP . 28091 1 27 . MET . 28091 1 28 . GLN . 28091 1 29 . PRO . 28091 1 30 . LEU . 28091 1 31 . SER . 28091 1 32 . PRO . 28091 1 33 . ILE . 28091 1 34 . SER . 28091 1 35 . VAL . 28091 1 36 . HIS . 28091 1 37 . GLU . 28091 1 38 . ARG . 28091 1 39 . TYR . 28091 1 40 . SER . 28091 1 41 . SER . 28091 1 42 . PRO . 28091 1 43 . THR . 28091 1 44 . ALA . 28091 1 45 . GLY . 28091 1 46 . SER . 28091 1 47 . ALA . 28091 1 48 . LYS . 28091 1 49 . ARG . 28091 1 50 . ARG . 28091 1 51 . LEU . 28091 1 52 . PHE . 28091 1 53 . GLY . 28091 1 54 . GLU . 28091 1 55 . ASP . 28091 1 56 . PRO . 28091 1 57 . PRO . 28091 1 58 . LYS . 28091 1 59 . GLU . 28091 1 60 . MET . 28091 1 61 . LEU . 28091 1 62 . MET . 28091 1 63 . ASP . 28091 1 64 . LYS . 28091 1 65 . ILE . 28091 1 66 . ILE . 28091 1 67 . THR . 28091 1 68 . GLU . 28091 1 69 . GLY . 28091 1 70 . THR . 28091 1 71 . LYS . 28091 1 72 . LEU . 28091 1 73 . LYS . 28091 1 74 . ILE . 28091 1 75 . ALA . 28091 1 76 . PRO . 28091 1 77 . SER . 28091 1 78 . SER . 28091 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 28091 1 . HIS 2 2 28091 1 . MET 3 3 28091 1 . PRO 4 4 28091 1 . MET 5 5 28091 1 . SER 6 6 28091 1 . PRO 7 7 28091 1 . LEU 8 8 28091 1 . MET 9 9 28091 1 . HIS 10 10 28091 1 . PRO 11 11 28091 1 . ARG 12 12 28091 1 . VAL 13 13 28091 1 . LYS 14 14 28091 1 . GLU 15 15 28091 1 . VAL 16 16 28091 1 . ARG 17 17 28091 1 . THR 18 18 28091 1 . ASP 19 19 28091 1 . SER 20 20 28091 1 . GLY 21 21 28091 1 . SER 22 22 28091 1 . LEU 23 23 28091 1 . ARG 24 24 28091 1 . ARG 25 25 28091 1 . ASP 26 26 28091 1 . MET 27 27 28091 1 . GLN 28 28 28091 1 . PRO 29 29 28091 1 . LEU 30 30 28091 1 . SER 31 31 28091 1 . PRO 32 32 28091 1 . ILE 33 33 28091 1 . SER 34 34 28091 1 . VAL 35 35 28091 1 . HIS 36 36 28091 1 . GLU 37 37 28091 1 . ARG 38 38 28091 1 . TYR 39 39 28091 1 . SER 40 40 28091 1 . SER 41 41 28091 1 . PRO 42 42 28091 1 . THR 43 43 28091 1 . ALA 44 44 28091 1 . GLY 45 45 28091 1 . SER 46 46 28091 1 . ALA 47 47 28091 1 . LYS 48 48 28091 1 . ARG 49 49 28091 1 . ARG 50 50 28091 1 . LEU 51 51 28091 1 . PHE 52 52 28091 1 . GLY 53 53 28091 1 . GLU 54 54 28091 1 . ASP 55 55 28091 1 . PRO 56 56 28091 1 . PRO 57 57 28091 1 . LYS 58 58 28091 1 . GLU 59 59 28091 1 . MET 60 60 28091 1 . LEU 61 61 28091 1 . MET 62 62 28091 1 . ASP 63 63 28091 1 . LYS 64 64 28091 1 . ILE 65 65 28091 1 . ILE 66 66 28091 1 . THR 67 67 28091 1 . GLU 68 68 28091 1 . GLY 69 69 28091 1 . THR 70 70 28091 1 . LYS 71 71 28091 1 . LEU 72 72 28091 1 . LYS 73 73 28091 1 . ILE 74 74 28091 1 . ALA 75 75 28091 1 . PRO 76 76 28091 1 . SER 77 77 28091 1 . SER 78 78 28091 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 28091 _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 $p107 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28091 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 28091 _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 $p107 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pTHMT . . . 28091 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28091 _Sample.ID 1 _Sample.Name . _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 p107 '[U-99% 13C; U-99% 15N]' . . 1 $p107 . . 0.7 . . mM . . . . 28091 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28091 1 3 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 28091 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28091 1 5 D2O [U-2H] . . . . . . 10 . . % . . . . 28091 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 28091 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 28091 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 70 . mM 28091 1 pH 6.8 . pH 28091 1 pressure 1 . atm 28091 1 temperature 283 . K 28091 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28091 _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' . . 28091 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28091 1 processing . 28091 1 stop_ save_ save_cara _Software.Sf_category software _Software.Sf_framecode cara _Software.Entry_ID 28091 _Software.ID 2 _Software.Type . _Software.Name cara _Software.Version 1.9.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 28091 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28091 2 'peak picking' . 28091 2 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 28091 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Neo _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 28091 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Neo . 600 . . . 28091 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 28091 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 28091 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28091 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28091 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28091 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28091 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28091 1 7 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28091 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28091 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 na indirect 0.251449530 . . . . . 28091 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 28091 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 28091 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28091 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . . 28091 1 2 '3D HNCA' . . . 28091 1 3 '3D HN(CO)CA' . . . 28091 1 4 '3D HNCACB' . . . 28091 1 5 '3D CBCA(CO)NH' . . . 28091 1 6 '3D HNCO' . . . 28091 1 7 '3D HCACO' . . . 28091 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 $TOPSPIN . . 28091 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 4 4 PRO C C 13 173.852 0.3 . 1 . . . . . 4 PRO C . 28091 1 2 . 1 . 1 4 4 PRO CA C 13 63.02 0.3 . 1 . . . . . 4 PRO CA . 28091 1 3 . 1 . 1 5 5 MET H H 1 8.365 0.020 . 1 . . . . . 5 MET H . 28091 1 4 . 1 . 1 5 5 MET C C 13 173.25 0.3 . 1 . . . . . 5 MET C . 28091 1 5 . 1 . 1 5 5 MET CA C 13 55.447 0.3 . 1 . . . . . 5 MET CA . 28091 1 6 . 1 . 1 5 5 MET N N 15 120.763 0.3 . 1 . . . . . 5 MET N . 28091 1 7 . 1 . 1 6 6 SER H H 1 8.197 0.020 . 1 . . . . . 6 SER H . 28091 1 8 . 1 . 1 6 6 SER C C 13 170.161 0.3 . 1 . . . . . 6 SER C . 28091 1 9 . 1 . 1 6 6 SER CA C 13 56.294 0.3 . 1 . . . . . 6 SER CA . 28091 1 10 . 1 . 1 6 6 SER N N 15 118.653 0.3 . 1 . . . . . 6 SER N . 28091 1 11 . 1 . 1 7 7 PRO C C 13 173.91 0.3 . 1 . . . . . 7 PRO C . 28091 1 12 . 1 . 1 7 7 PRO CA C 13 63.413 0.3 . 1 . . . . . 7 PRO CA . 28091 1 13 . 1 . 1 8 8 LEU H H 1 8.002 0.020 . 1 . . . . . 8 LEU H . 28091 1 14 . 1 . 1 8 8 LEU C C 13 174.378 0.3 . 1 . . . . . 8 LEU C . 28091 1 15 . 1 . 1 8 8 LEU CA C 13 55.433 0.3 . 1 . . . . . 8 LEU CA . 28091 1 16 . 1 . 1 8 8 LEU N N 15 120.971 0.3 . 1 . . . . . 8 LEU N . 28091 1 17 . 1 . 1 9 9 MET H H 1 7.99 0.020 . 1 . . . . . 9 MET H . 28091 1 18 . 1 . 1 9 9 MET C C 13 172.603 0.3 . 1 . . . . . 9 MET C . 28091 1 19 . 1 . 1 9 9 MET CA C 13 55.191 0.3 . 1 . . . . . 9 MET CA . 28091 1 20 . 1 . 1 9 9 MET N N 15 120.429 0.3 . 1 . . . . . 9 MET N . 28091 1 21 . 1 . 1 10 10 HIS H H 1 8.05 0.020 . 1 . . . . . 10 HIS H . 28091 1 22 . 1 . 1 10 10 HIS C C 13 170.232 0.3 . 1 . . . . . 10 HIS C . 28091 1 23 . 1 . 1 10 10 HIS CA C 13 54.212 0.3 . 1 . . . . . 10 HIS CA . 28091 1 24 . 1 . 1 10 10 HIS N N 15 121.137 0.3 . 1 . . . . . 10 HIS N . 28091 1 25 . 1 . 1 11 11 PRO C C 13 173.904 0.3 . 1 . . . . . 11 PRO C . 28091 1 26 . 1 . 1 11 11 PRO CA C 13 63.201 0.3 . 1 . . . . . 11 PRO CA . 28091 1 27 . 1 . 1 12 12 ARG H H 1 8.477 0.020 . 1 . . . . . 12 ARG H . 28091 1 28 . 1 . 1 12 12 ARG C C 13 173.628 0.3 . 1 . . . . . 12 ARG C . 28091 1 29 . 1 . 1 12 12 ARG CA C 13 56.297 0.3 . 1 . . . . . 12 ARG CA . 28091 1 30 . 1 . 1 12 12 ARG N N 15 121.919 0.3 . 1 . . . . . 12 ARG N . 28091 1 31 . 1 . 1 13 13 VAL H H 1 8.063 0.020 . 1 . . . . . 13 VAL H . 28091 1 32 . 1 . 1 13 13 VAL C C 13 173.192 0.3 . 1 . . . . . 13 VAL C . 28091 1 33 . 1 . 1 13 13 VAL CA C 13 62.508 0.3 . 1 . . . . . 13 VAL CA . 28091 1 34 . 1 . 1 13 13 VAL N N 15 122.051 0.3 . 1 . . . . . 13 VAL N . 28091 1 35 . 1 . 1 14 14 LYS H H 1 8.244 0.020 . 1 . . . . . 14 LYS H . 28091 1 36 . 1 . 1 14 14 LYS C C 13 173.352 0.3 . 1 . . . . . 14 LYS C . 28091 1 37 . 1 . 1 14 14 LYS CA C 13 56.514 0.3 . 1 . . . . . 14 LYS CA . 28091 1 38 . 1 . 1 14 14 LYS N N 15 125.52 0.3 . 1 . . . . . 14 LYS N . 28091 1 39 . 1 . 1 15 15 GLU H H 1 8.283 0.020 . 1 . . . . . 15 GLU H . 28091 1 40 . 1 . 1 15 15 GLU C C 13 173.276 0.3 . 1 . . . . . 15 GLU C . 28091 1 41 . 1 . 1 15 15 GLU CA C 13 56.493 0.3 . 1 . . . . . 15 GLU CA . 28091 1 42 . 1 . 1 15 15 GLU N N 15 123.324 0.3 . 1 . . . . . 15 GLU N . 28091 1 43 . 1 . 1 16 16 VAL H H 1 8.197 0.020 . 1 . . . . . 16 VAL H . 28091 1 44 . 1 . 1 16 16 VAL C C 13 173.224 0.3 . 1 . . . . . 16 VAL C . 28091 1 45 . 1 . 1 16 16 VAL CA C 13 62.524 0.3 . 1 . . . . . 16 VAL CA . 28091 1 46 . 1 . 1 16 16 VAL N N 15 122.88 0.3 . 1 . . . . . 16 VAL N . 28091 1 47 . 1 . 1 17 17 ARG H H 1 8.396 0.020 . 1 . . . . . 17 ARG H . 28091 1 48 . 1 . 1 17 17 ARG C C 13 173.673 0.3 . 1 . . . . . 17 ARG C . 28091 1 49 . 1 . 1 17 17 ARG CA C 13 55.83 0.3 . 1 . . . . . 17 ARG CA . 28091 1 50 . 1 . 1 17 17 ARG N N 15 125.725 0.3 . 1 . . . . . 17 ARG N . 28091 1 51 . 1 . 1 18 18 THR H H 1 8.251 0.020 . 1 . . . . . 18 THR H . 28091 1 52 . 1 . 1 18 18 THR C C 13 171.443 0.3 . 1 . . . . . 18 THR C . 28091 1 53 . 1 . 1 18 18 THR CA C 13 61.837 0.3 . 1 . . . . . 18 THR CA . 28091 1 54 . 1 . 1 18 18 THR N N 15 115.663 0.3 . 1 . . . . . 18 THR N . 28091 1 55 . 1 . 1 19 19 ASP H H 1 8.295 0.020 . 1 . . . . . 19 ASP H . 28091 1 56 . 1 . 1 19 19 ASP C C 13 173.647 0.3 . 1 . . . . . 19 ASP C . 28091 1 57 . 1 . 1 19 19 ASP CA C 13 54.148 0.3 . 1 . . . . . 19 ASP CA . 28091 1 58 . 1 . 1 19 19 ASP N N 15 122.487 0.3 . 1 . . . . . 19 ASP N . 28091 1 59 . 1 . 1 20 20 SER H H 1 8.226 0.020 . 1 . . . . . 20 SER H . 28091 1 60 . 1 . 1 20 20 SER C C 13 172.558 0.3 . 1 . . . . . 20 SER C . 28091 1 61 . 1 . 1 20 20 SER CA C 13 59.228 0.3 . 1 . . . . . 20 SER CA . 28091 1 62 . 1 . 1 20 20 SER N N 15 116.562 0.3 . 1 . . . . . 20 SER N . 28091 1 63 . 1 . 1 21 21 GLY H H 1 8.365 0.020 . 1 . . . . . 21 GLY H . 28091 1 64 . 1 . 1 21 21 GLY C C 13 171.674 0.3 . 1 . . . . . 21 GLY C . 28091 1 65 . 1 . 1 21 21 GLY CA C 13 45.69 0.3 . 1 . . . . . 21 GLY CA . 28091 1 66 . 1 . 1 21 21 GLY N N 15 110.84 0.3 . 1 . . . . . 21 GLY N . 28091 1 67 . 1 . 1 22 22 SER H H 1 7.929 0.020 . 1 . . . . . 22 SER H . 28091 1 68 . 1 . 1 22 22 SER C C 13 171.725 0.3 . 1 . . . . . 22 SER C . 28091 1 69 . 1 . 1 22 22 SER CA C 13 58.869 0.3 . 1 . . . . . 22 SER CA . 28091 1 70 . 1 . 1 22 22 SER N N 15 115.526 0.3 . 1 . . . . . 22 SER N . 28091 1 71 . 1 . 1 23 23 LEU H H 1 8.02 0.020 . 1 . . . . . 23 LEU H . 28091 1 72 . 1 . 1 23 23 LEU C C 13 174.493 0.3 . 1 . . . . . 23 LEU C . 28091 1 73 . 1 . 1 23 23 LEU CA C 13 55.434 0.3 . 1 . . . . . 23 LEU CA . 28091 1 74 . 1 . 1 23 23 LEU N N 15 123.54 0.3 . 1 . . . . . 23 LEU N . 28091 1 75 . 1 . 1 24 24 ARG H H 1 8.096 0.020 . 1 . . . . . 24 ARG H . 28091 1 76 . 1 . 1 24 24 ARG CA C 13 56.404 0.3 . 1 . . . . . 24 ARG CA . 28091 1 77 . 1 . 1 24 24 ARG N N 15 121.884 0.3 . 1 . . . . . 24 ARG N . 28091 1 78 . 1 . 1 25 25 ARG C C 13 173.205 0.3 . 1 . . . . . 25 ARG C . 28091 1 79 . 1 . 1 25 25 ARG CA C 13 56.534 0.3 . 1 . . . . . 25 ARG CA . 28091 1 80 . 1 . 1 26 26 ASP H H 1 8.241 0.020 . 1 . . . . . 26 ASP H . 28091 1 81 . 1 . 1 26 26 ASP C C 13 173.199 0.3 . 1 . . . . . 26 ASP C . 28091 1 82 . 1 . 1 26 26 ASP CA C 13 54.479 0.3 . 1 . . . . . 26 ASP CA . 28091 1 83 . 1 . 1 26 26 ASP N N 15 120.255 0.3 . 1 . . . . . 26 ASP N . 28091 1 84 . 1 . 1 27 27 MET H H 1 8.009 0.020 . 1 . . . . . 27 MET H . 28091 1 85 . 1 . 1 27 27 MET C C 13 173.192 0.3 . 1 . . . . . 27 MET C . 28091 1 86 . 1 . 1 27 27 MET CA C 13 55.301 0.3 . 1 . . . . . 27 MET CA . 28091 1 87 . 1 . 1 27 27 MET N N 15 119.824 0.3 . 1 . . . . . 27 MET N . 28091 1 88 . 1 . 1 28 28 GLN H H 1 8.151 0.020 . 1 . . . . . 28 GLN H . 28091 1 89 . 1 . 1 28 28 GLN C C 13 170.949 0.3 . 1 . . . . . 28 GLN C . 28091 1 90 . 1 . 1 28 28 GLN CA C 13 53.843 0.3 . 1 . . . . . 28 GLN CA . 28091 1 91 . 1 . 1 28 28 GLN N N 15 122.385 0.3 . 1 . . . . . 28 GLN N . 28091 1 92 . 1 . 1 29 29 PRO C C 13 173.923 0.3 . 1 . . . . . 29 PRO C . 28091 1 93 . 1 . 1 29 29 PRO CA C 13 62.99 0.3 . 1 . . . . . 29 PRO CA . 28091 1 94 . 1 . 1 30 30 LEU H H 1 8.251 0.020 . 1 . . . . . 30 LEU H . 28091 1 95 . 1 . 1 30 30 LEU C C 13 174.5 0.3 . 1 . . . . . 30 LEU C . 28091 1 96 . 1 . 1 30 30 LEU CA C 13 55.379 0.3 . 1 . . . . . 30 LEU CA . 28091 1 97 . 1 . 1 30 30 LEU N N 15 122.329 0.3 . 1 . . . . . 30 LEU N . 28091 1 98 . 1 . 1 31 31 SER H H 1 8.142 0.020 . 1 . . . . . 31 SER H . 28091 1 99 . 1 . 1 31 31 SER C C 13 169.815 0.3 . 1 . . . . . 31 SER C . 28091 1 100 . 1 . 1 31 31 SER CA C 13 56.299 0.3 . 1 . . . . . 31 SER CA . 28091 1 101 . 1 . 1 31 31 SER N N 15 117.831 0.3 . 1 . . . . . 31 SER N . 28091 1 102 . 1 . 1 32 32 PRO C C 13 174.012 0.3 . 1 . . . . . 32 PRO C . 28091 1 103 . 1 . 1 32 32 PRO CA C 13 63.336 0.3 . 1 . . . . . 32 PRO CA . 28091 1 104 . 1 . 1 33 33 ILE H H 1 8 0.020 . 1 . . . . . 33 ILE H . 28091 1 105 . 1 . 1 33 33 ILE C C 13 173.532 0.3 . 1 . . . . . 33 ILE C . 28091 1 106 . 1 . 1 33 33 ILE CA C 13 61.241 0.3 . 1 . . . . . 33 ILE CA . 28091 1 107 . 1 . 1 33 33 ILE N N 15 120.586 0.3 . 1 . . . . . 33 ILE N . 28091 1 108 . 1 . 1 34 34 SER H H 1 8.188 0.020 . 1 . . . . . 34 SER H . 28091 1 109 . 1 . 1 34 34 SER C C 13 171.814 0.3 . 1 . . . . . 34 SER C . 28091 1 110 . 1 . 1 34 34 SER CA C 13 58.146 0.3 . 1 . . . . . 34 SER CA . 28091 1 111 . 1 . 1 34 34 SER N N 15 119.974 0.3 . 1 . . . . . 34 SER N . 28091 1 112 . 1 . 1 35 35 VAL H H 1 8.05 0.020 . 1 . . . . . 35 VAL H . 28091 1 113 . 1 . 1 35 35 VAL C C 13 173.141 0.3 . 1 . . . . . 35 VAL C . 28091 1 114 . 1 . 1 35 35 VAL CA C 13 62.778 0.3 . 1 . . . . . 35 VAL CA . 28091 1 115 . 1 . 1 35 35 VAL N N 15 121.855 0.3 . 1 . . . . . 35 VAL N . 28091 1 116 . 1 . 1 36 36 HIS H H 1 8.103 0.020 . 1 . . . . . 36 HIS H . 28091 1 117 . 1 . 1 36 36 HIS C C 13 172.449 0.3 . 1 . . . . . 36 HIS C . 28091 1 118 . 1 . 1 36 36 HIS CA C 13 56.474 0.3 . 1 . . . . . 36 HIS CA . 28091 1 119 . 1 . 1 36 36 HIS N N 15 121.806 0.3 . 1 . . . . . 36 HIS N . 28091 1 120 . 1 . 1 37 37 GLU H H 1 8.102 0.020 . 1 . . . . . 37 GLU H . 28091 1 121 . 1 . 1 37 37 GLU C C 13 173.634 0.3 . 1 . . . . . 37 GLU C . 28091 1 122 . 1 . 1 37 37 GLU CA C 13 56.512 0.3 . 1 . . . . . 37 GLU CA . 28091 1 123 . 1 . 1 37 37 GLU N N 15 122.054 0.3 . 1 . . . . . 37 GLU N . 28091 1 124 . 1 . 1 38 38 ARG H H 1 8.267 0.020 . 1 . . . . . 38 ARG H . 28091 1 125 . 1 . 1 38 38 ARG C C 13 173.211 0.3 . 1 . . . . . 38 ARG C . 28091 1 126 . 1 . 1 38 38 ARG CA C 13 56.435 0.3 . 1 . . . . . 38 ARG CA . 28091 1 127 . 1 . 1 38 38 ARG N N 15 122.552 0.3 . 1 . . . . . 38 ARG N . 28091 1 128 . 1 . 1 39 39 TYR H H 1 8.071 0.020 . 1 . . . . . 39 TYR H . 28091 1 129 . 1 . 1 39 39 TYR C C 13 172.801 0.3 . 1 . . . . . 39 TYR C . 28091 1 130 . 1 . 1 39 39 TYR CA C 13 57.857 0.3 . 1 . . . . . 39 TYR CA . 28091 1 131 . 1 . 1 39 39 TYR N N 15 120.763 0.3 . 1 . . . . . 39 TYR N . 28091 1 132 . 1 . 1 40 40 SER H H 1 7.93 0.020 . 1 . . . . . 40 SER H . 28091 1 133 . 1 . 1 40 40 SER C C 13 170.776 0.3 . 1 . . . . . 40 SER C . 28091 1 134 . 1 . 1 40 40 SER CA C 13 57.893 0.3 . 1 . . . . . 40 SER CA . 28091 1 135 . 1 . 1 40 40 SER N N 15 117.658 0.3 . 1 . . . . . 40 SER N . 28091 1 136 . 1 . 1 41 41 SER H H 1 8.131 0.020 . 1 . . . . . 41 SER H . 28091 1 137 . 1 . 1 41 41 SER C C 13 170.27 0.3 . 1 . . . . . 41 SER C . 28091 1 138 . 1 . 1 41 41 SER CA C 13 56.474 0.3 . 1 . . . . . 41 SER CA . 28091 1 139 . 1 . 1 41 41 SER N N 15 118.695 0.3 . 1 . . . . . 41 SER N . 28091 1 140 . 1 . 1 42 42 PRO C C 13 174.416 0.3 . 1 . . . . . 42 PRO C . 28091 1 141 . 1 . 1 42 42 PRO CA C 13 63.72 0.3 . 1 . . . . . 42 PRO CA . 28091 1 142 . 1 . 1 43 43 THR H H 1 8.005 0.020 . 1 . . . . . 43 THR H . 28091 1 143 . 1 . 1 43 43 THR C C 13 171.853 0.3 . 1 . . . . . 43 THR C . 28091 1 144 . 1 . 1 43 43 THR CA C 13 61.875 0.3 . 1 . . . . . 43 THR CA . 28091 1 145 . 1 . 1 43 43 THR N N 15 113.334 0.3 . 1 . . . . . 43 THR N . 28091 1 146 . 1 . 1 44 44 ALA H H 1 8.121 0.020 . 1 . . . . . 44 ALA H . 28091 1 147 . 1 . 1 44 44 ALA C C 13 175.531 0.3 . 1 . . . . . 44 ALA C . 28091 1 148 . 1 . 1 44 44 ALA CA C 13 53.206 0.3 . 1 . . . . . 44 ALA CA . 28091 1 149 . 1 . 1 44 44 ALA N N 15 126.326 0.3 . 1 . . . . . 44 ALA N . 28091 1 150 . 1 . 1 45 45 GLY H H 1 8.275 0.020 . 1 . . . . . 45 GLY H . 28091 1 151 . 1 . 1 45 45 GLY C C 13 171.597 0.3 . 1 . . . . . 45 GLY C . 28091 1 152 . 1 . 1 45 45 GLY CA C 13 45.498 0.3 . 1 . . . . . 45 GLY CA . 28091 1 153 . 1 . 1 45 45 GLY N N 15 108.267 0.3 . 1 . . . . . 45 GLY N . 28091 1 154 . 1 . 1 46 46 SER H H 1 7.985 0.020 . 1 . . . . . 46 SER H . 28091 1 155 . 1 . 1 46 46 SER C C 13 171.725 0.3 . 1 . . . . . 46 SER C . 28091 1 156 . 1 . 1 46 46 SER CA C 13 58.751 0.3 . 1 . . . . . 46 SER CA . 28091 1 157 . 1 . 1 46 46 SER N N 15 115.442 0.3 . 1 . . . . . 46 SER N . 28091 1 158 . 1 . 1 47 47 ALA H H 1 8.173 0.020 . 1 . . . . . 47 ALA H . 28091 1 159 . 1 . 1 47 47 ALA C C 13 175.044 0.3 . 1 . . . . . 47 ALA C . 28091 1 160 . 1 . 1 47 47 ALA CA C 13 52.927 0.3 . 1 . . . . . 47 ALA CA . 28091 1 161 . 1 . 1 47 47 ALA N N 15 125.666 0.3 . 1 . . . . . 47 ALA N . 28091 1 162 . 1 . 1 48 48 LYS H H 1 8.029 0.020 . 1 . . . . . 48 LYS H . 28091 1 163 . 1 . 1 48 48 LYS C C 13 173.769 0.3 . 1 . . . . . 48 LYS C . 28091 1 164 . 1 . 1 48 48 LYS CA C 13 56.79 0.3 . 1 . . . . . 48 LYS CA . 28091 1 165 . 1 . 1 48 48 LYS N N 15 120.179 0.3 . 1 . . . . . 48 LYS N . 28091 1 166 . 1 . 1 49 49 ARG H H 1 8.081 0.020 . 1 . . . . . 49 ARG H . 28091 1 167 . 1 . 1 49 49 ARG C C 13 173.34 0.3 . 1 . . . . . 49 ARG C . 28091 1 168 . 1 . 1 49 49 ARG CA C 13 56.416 0.3 . 1 . . . . . 49 ARG CA . 28091 1 169 . 1 . 1 49 49 ARG N N 15 122.229 0.3 . 1 . . . . . 49 ARG N . 28091 1 170 . 1 . 1 50 50 ARG H H 1 8.214 0.020 . 1 . . . . . 50 ARG H . 28091 1 171 . 1 . 1 50 50 ARG C C 13 173.25 0.3 . 1 . . . . . 50 ARG C . 28091 1 172 . 1 . 1 50 50 ARG CA C 13 56.281 0.3 . 1 . . . . . 50 ARG CA . 28091 1 173 . 1 . 1 50 50 ARG N N 15 122.829 0.3 . 1 . . . . . 50 ARG N . 28091 1 174 . 1 . 1 51 51 LEU H H 1 8.155 0.020 . 1 . . . . . 51 LEU H . 28091 1 175 . 1 . 1 51 51 LEU C C 13 174.147 0.3 . 1 . . . . . 51 LEU C . 28091 1 176 . 1 . 1 51 51 LEU CA C 13 55.186 0.3 . 1 . . . . . 51 LEU CA . 28091 1 177 . 1 . 1 51 51 LEU N N 15 123.578 0.3 . 1 . . . . . 51 LEU N . 28091 1 178 . 1 . 1 52 52 PHE H H 1 8.09 0.020 . 1 . . . . . 52 PHE H . 28091 1 179 . 1 . 1 52 52 PHE C C 13 173.346 0.3 . 1 . . . . . 52 PHE C . 28091 1 180 . 1 . 1 52 52 PHE CA C 13 58.058 0.3 . 1 . . . . . 52 PHE CA . 28091 1 181 . 1 . 1 52 52 PHE N N 15 119.941 0.3 . 1 . . . . . 52 PHE N . 28091 1 182 . 1 . 1 53 53 GLY H H 1 8.13 0.020 . 1 . . . . . 53 GLY H . 28091 1 183 . 1 . 1 53 53 GLY C C 13 170.866 0.3 . 1 . . . . . 53 GLY C . 28091 1 184 . 1 . 1 53 53 GLY CA C 13 45.322 0.3 . 1 . . . . . 53 GLY CA . 28091 1 185 . 1 . 1 53 53 GLY N N 15 110.609 0.3 . 1 . . . . . 53 GLY N . 28091 1 186 . 1 . 1 54 54 GLU H H 1 7.954 0.020 . 1 . . . . . 54 GLU H . 28091 1 187 . 1 . 1 54 54 GLU C C 13 173.167 0.3 . 1 . . . . . 54 GLU C . 28091 1 188 . 1 . 1 54 54 GLU CA C 13 56.145 0.3 . 1 . . . . . 54 GLU CA . 28091 1 189 . 1 . 1 54 54 GLU N N 15 119.78 0.3 . 1 . . . . . 54 GLU N . 28091 1 190 . 1 . 1 55 55 ASP H H 1 8.332 0.020 . 1 . . . . . 55 ASP H . 28091 1 191 . 1 . 1 55 55 ASP C C 13 170.674 0.3 . 1 . . . . . 55 ASP C . 28091 1 192 . 1 . 1 55 55 ASP CA C 13 52.917 0.3 . 1 . . . . . 55 ASP CA . 28091 1 193 . 1 . 1 55 55 ASP N N 15 122.865 0.3 . 1 . . . . . 55 ASP N . 28091 1 194 . 1 . 1 57 57 PRO C C 13 174.096 0.3 . 1 . . . . . 57 PRO C . 28091 1 195 . 1 . 1 57 57 PRO CA C 13 62.972 0.3 . 1 . . . . . 57 PRO CA . 28091 1 196 . 1 . 1 58 58 LYS H H 1 8.273 0.020 . 1 . . . . . 58 LYS H . 28091 1 197 . 1 . 1 58 58 LYS C C 13 173.987 0.3 . 1 . . . . . 58 LYS C . 28091 1 198 . 1 . 1 58 58 LYS CA C 13 56.685 0.3 . 1 . . . . . 58 LYS CA . 28091 1 199 . 1 . 1 58 58 LYS N N 15 121.883 0.3 . 1 . . . . . 58 LYS N . 28091 1 200 . 1 . 1 59 59 GLU H H 1 8.341 0.020 . 1 . . . . . 59 GLU H . 28091 1 201 . 1 . 1 59 59 GLU C C 13 173.455 0.3 . 1 . . . . . 59 GLU C . 28091 1 202 . 1 . 1 59 59 GLU CA C 13 56.812 0.3 . 1 . . . . . 59 GLU CA . 28091 1 203 . 1 . 1 59 59 GLU N N 15 121.624 0.3 . 1 . . . . . 59 GLU N . 28091 1 204 . 1 . 1 60 60 MET H H 1 8.233 0.020 . 1 . . . . . 60 MET H . 28091 1 205 . 1 . 1 60 60 MET C C 13 173.135 0.3 . 1 . . . . . 60 MET C . 28091 1 206 . 1 . 1 60 60 MET CA C 13 55.405 0.3 . 1 . . . . . 60 MET CA . 28091 1 207 . 1 . 1 60 60 MET N N 15 121.791 0.3 . 1 . . . . . 60 MET N . 28091 1 208 . 1 . 1 61 61 LEU H H 1 8.098 0.020 . 1 . . . . . 61 LEU H . 28091 1 209 . 1 . 1 61 61 LEU C C 13 174.461 0.3 . 1 . . . . . 61 LEU C . 28091 1 210 . 1 . 1 61 61 LEU CA C 13 55.339 0.3 . 1 . . . . . 61 LEU CA . 28091 1 211 . 1 . 1 61 61 LEU N N 15 123.515 0.3 . 1 . . . . . 61 LEU N . 28091 1 212 . 1 . 1 62 62 MET H H 1 8.182 0.020 . 1 . . . . . 62 MET H . 28091 1 213 . 1 . 1 62 62 MET C C 13 173.122 0.3 . 1 . . . . . 62 MET C . 28091 1 214 . 1 . 1 62 62 MET CA C 13 55.467 0.3 . 1 . . . . . 62 MET CA . 28091 1 215 . 1 . 1 62 62 MET N N 15 120.914 0.3 . 1 . . . . . 62 MET N . 28091 1 216 . 1 . 1 63 63 ASP H H 1 8.112 0.020 . 1 . . . . . 63 ASP H . 28091 1 217 . 1 . 1 63 63 ASP C C 13 173.205 0.3 . 1 . . . . . 63 ASP C . 28091 1 218 . 1 . 1 63 63 ASP CA C 13 54.705 0.3 . 1 . . . . . 63 ASP CA . 28091 1 219 . 1 . 1 63 63 ASP N N 15 121.047 0.3 . 1 . . . . . 63 ASP N . 28091 1 220 . 1 . 1 64 64 LYS H H 1 7.981 0.020 . 1 . . . . . 64 LYS H . 28091 1 221 . 1 . 1 64 64 LYS C C 13 173.519 0.3 . 1 . . . . . 64 LYS C . 28091 1 222 . 1 . 1 64 64 LYS CA C 13 56.429 0.3 . 1 . . . . . 64 LYS CA . 28091 1 223 . 1 . 1 64 64 LYS N N 15 121.077 0.3 . 1 . . . . . 64 LYS N . 28091 1 224 . 1 . 1 65 65 ILE H H 1 7.989 0.020 . 1 . . . . . 65 ILE H . 28091 1 225 . 1 . 1 65 65 ILE C C 13 173.602 0.3 . 1 . . . . . 65 ILE C . 28091 1 226 . 1 . 1 65 65 ILE CA C 13 61.413 0.3 . 1 . . . . . 65 ILE CA . 28091 1 227 . 1 . 1 65 65 ILE N N 15 122.413 0.3 . 1 . . . . . 65 ILE N . 28091 1 228 . 1 . 1 66 66 ILE H H 1 8.18 0.020 . 1 . . . . . 66 ILE H . 28091 1 229 . 1 . 1 66 66 ILE C C 13 173.692 0.3 . 1 . . . . . 66 ILE C . 28091 1 230 . 1 . 1 66 66 ILE CA C 13 61.202 0.3 . 1 . . . . . 66 ILE CA . 28091 1 231 . 1 . 1 66 66 ILE N N 15 125.944 0.3 . 1 . . . . . 66 ILE N . 28091 1 232 . 1 . 1 67 67 THR H H 1 8.101 0.020 . 1 . . . . . 67 THR H . 28091 1 233 . 1 . 1 67 67 THR C C 13 171.821 0.3 . 1 . . . . . 67 THR C . 28091 1 234 . 1 . 1 67 67 THR CA C 13 62.048 0.3 . 1 . . . . . 67 THR CA . 28091 1 235 . 1 . 1 67 67 THR N N 15 118.754 0.3 . 1 . . . . . 67 THR N . 28091 1 236 . 1 . 1 68 68 GLU H H 1 8.314 0.020 . 1 . . . . . 68 GLU H . 28091 1 237 . 1 . 1 68 68 GLU C C 13 174.115 0.3 . 1 . . . . . 68 GLU C . 28091 1 238 . 1 . 1 68 68 GLU CA C 13 57.108 0.3 . 1 . . . . . 68 GLU CA . 28091 1 239 . 1 . 1 68 68 GLU N N 15 123.656 0.3 . 1 . . . . . 68 GLU N . 28091 1 240 . 1 . 1 69 69 GLY H H 1 8.293 0.020 . 1 . . . . . 69 GLY H . 28091 1 241 . 1 . 1 69 69 GLY C C 13 171.584 0.3 . 1 . . . . . 69 GLY C . 28091 1 242 . 1 . 1 69 69 GLY CA C 13 45.517 0.3 . 1 . . . . . 69 GLY CA . 28091 1 243 . 1 . 1 69 69 GLY N N 15 109.814 0.3 . 1 . . . . . 69 GLY N . 28091 1 244 . 1 . 1 70 70 THR H H 1 7.887 0.020 . 1 . . . . . 70 THR H . 28091 1 245 . 1 . 1 70 70 THR C C 13 171.712 0.3 . 1 . . . . . 70 THR C . 28091 1 246 . 1 . 1 70 70 THR CA C 13 62.626 0.3 . 1 . . . . . 70 THR CA . 28091 1 247 . 1 . 1 70 70 THR N N 15 114.168 0.3 . 1 . . . . . 70 THR N . 28091 1 248 . 1 . 1 71 71 LYS H H 1 8.151 0.020 . 1 . . . . . 71 LYS H . 28091 1 249 . 1 . 1 71 71 LYS C C 13 173.545 0.3 . 1 . . . . . 71 LYS C . 28091 1 250 . 1 . 1 71 71 LYS CA C 13 56.416 0.3 . 1 . . . . . 71 LYS CA . 28091 1 251 . 1 . 1 71 71 LYS N N 15 123.945 0.3 . 1 . . . . . 71 LYS N . 28091 1 252 . 1 . 1 72 72 LEU H H 1 8.027 0.020 . 1 . . . . . 72 LEU H . 28091 1 253 . 1 . 1 72 72 LEU C C 13 174.134 0.3 . 1 . . . . . 72 LEU C . 28091 1 254 . 1 . 1 72 72 LEU CA C 13 55.412 0.3 . 1 . . . . . 72 LEU CA . 28091 1 255 . 1 . 1 72 72 LEU N N 15 123.398 0.3 . 1 . . . . . 72 LEU N . 28091 1 256 . 1 . 1 73 73 LYS H H 1 8.165 0.020 . 1 . . . . . 73 LYS H . 28091 1 257 . 1 . 1 73 73 LYS C C 13 173.244 0.3 . 1 . . . . . 73 LYS C . 28091 1 258 . 1 . 1 73 73 LYS CA C 13 56.185 0.3 . 1 . . . . . 73 LYS CA . 28091 1 259 . 1 . 1 73 73 LYS N N 15 123.14 0.3 . 1 . . . . . 73 LYS N . 28091 1 260 . 1 . 1 74 74 ILE H H 1 7.998 0.020 . 1 . . . . . 74 ILE H . 28091 1 261 . 1 . 1 74 74 ILE C C 13 172.68 0.3 . 1 . . . . . 74 ILE C . 28091 1 262 . 1 . 1 74 74 ILE CA C 13 60.86 0.3 . 1 . . . . . 74 ILE CA . 28091 1 263 . 1 . 1 74 74 ILE N N 15 123.07 0.3 . 1 . . . . . 74 ILE N . 28091 1 264 . 1 . 1 75 75 ALA H H 1 8.305 0.020 . 1 . . . . . 75 ALA H . 28091 1 265 . 1 . 1 75 75 ALA C C 13 172.442 0.3 . 1 . . . . . 75 ALA C . 28091 1 266 . 1 . 1 75 75 ALA CA C 13 50.495 0.3 . 1 . . . . . 75 ALA CA . 28091 1 267 . 1 . 1 75 75 ALA N N 15 110.181 0.3 . 1 . . . . . 75 ALA N . 28091 1 268 . 1 . 1 76 76 PRO C C 13 174.077 0.3 . 1 . . . . . 76 PRO C . 28091 1 269 . 1 . 1 76 76 PRO CA C 13 63.182 0.3 . 1 . . . . . 76 PRO CA . 28091 1 270 . 1 . 1 77 77 SER H H 1 8.332 0.020 . 1 . . . . . 77 SER H . 28091 1 271 . 1 . 1 77 77 SER C C 13 170.84 0.3 . 1 . . . . . 77 SER C . 28091 1 272 . 1 . 1 77 77 SER CA C 13 58.473 0.3 . 1 . . . . . 77 SER CA . 28091 1 273 . 1 . 1 77 77 SER N N 15 116.491 0.3 . 1 . . . . . 77 SER N . 28091 1 274 . 1 . 1 78 78 SER H H 1 7.82 0.020 . 1 . . . . . 78 SER H . 28091 1 275 . 1 . 1 78 78 SER C C 13 175.666 0.3 . 1 . . . . . 78 SER C . 28091 1 276 . 1 . 1 78 78 SER CA C 13 60.065 0.3 . 1 . . . . . 78 SER CA . 28091 1 277 . 1 . 1 78 78 SER N N 15 122.653 0.3 . 1 . . . . . 78 SER N . 28091 1 stop_ save_