data_51069 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51069 _Entry.Title ; FUS RGG3 (453-507) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-25 _Entry.Accession_date 2021-08-25 _Entry.Last_release_date 2021-08-25 _Entry.Original_release_date 2021-08-25 _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 1 _Entry.Generated_software_label $software_1 _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 Anastasia Murthy . C. . 0000-0002-2490-697X 51069 2 Nicolas Fawzi . L. . 0000-0001-5483-0577 51069 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51069 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 137 51069 '15N chemical shifts' 52 51069 '1H chemical shifts' 52 51069 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 . . 2022-01-29 2021-08-25 update BMRB 'update entry citation' 51069 1 . . 2021-09-19 2021-08-25 original author 'original release' 51069 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51067 'Backbone Chemical Shift Assignments for the RGG1 domain of Fused in Sarcoma (FUS 164-267)' 51069 BMRB 51068 'Backbone chemical shift assignments for FUS RGG2 (372-422)' 51069 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51069 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34759379 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular interactions contributing to FUS SYGQ LC-RGG phase separation and co-partitioning with RNA polymerase II heptads ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 28 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 923 _Citation.Page_last 935 _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 Anastasia Murthy A. C. . . 51069 1 2 'Wai Shing' Tang W. S. . . 51069 1 3 Nina Jovic N. . . . 51069 1 4 Abigail Janke A. M. . . 51069 1 5 'Da Hee' Seo D. H. . . 51069 1 6 'Theodora Myrto' Perdikari T. M. . . 51069 1 7 Jeetain Mittal J. . . . 51069 1 8 Nicolas Fawzi N. L. . . 51069 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51069 _Assembly.ID 1 _Assembly.Name 'FUS RGG3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FUS RGG3' 1 $entity_1 . . yes native no no . . . 51069 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51069 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DGPGGGPGGSHMGGNYGDDR RGGRGGYDRGGYRGRGGDRG GFRGGRGGGDRGGFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 453 ASP . 51069 1 2 454 GLY . 51069 1 3 455 PRO . 51069 1 4 456 GLY . 51069 1 5 457 GLY . 51069 1 6 458 GLY . 51069 1 7 459 PRO . 51069 1 8 460 GLY . 51069 1 9 461 GLY . 51069 1 10 462 SER . 51069 1 11 463 HIS . 51069 1 12 464 MET . 51069 1 13 465 GLY . 51069 1 14 466 GLY . 51069 1 15 467 ASN . 51069 1 16 468 TYR . 51069 1 17 469 GLY . 51069 1 18 470 ASP . 51069 1 19 471 ASP . 51069 1 20 472 ARG . 51069 1 21 473 ARG . 51069 1 22 474 GLY . 51069 1 23 475 GLY . 51069 1 24 476 ARG . 51069 1 25 477 GLY . 51069 1 26 478 GLY . 51069 1 27 479 TYR . 51069 1 28 480 ASP . 51069 1 29 481 ARG . 51069 1 30 482 GLY . 51069 1 31 483 GLY . 51069 1 32 484 TYR . 51069 1 33 485 ARG . 51069 1 34 486 GLY . 51069 1 35 487 ARG . 51069 1 36 488 GLY . 51069 1 37 489 GLY . 51069 1 38 490 ASP . 51069 1 39 491 ARG . 51069 1 40 492 GLY . 51069 1 41 493 GLY . 51069 1 42 494 PHE . 51069 1 43 495 ARG . 51069 1 44 496 GLY . 51069 1 45 497 GLY . 51069 1 46 498 ARG . 51069 1 47 499 GLY . 51069 1 48 500 GLY . 51069 1 49 501 GLY . 51069 1 50 502 ASP . 51069 1 51 503 ARG . 51069 1 52 504 GLY . 51069 1 53 505 GLY . 51069 1 54 506 PHE . 51069 1 55 507 GLY . 51069 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 . ASP 1 1 51069 1 . GLY 2 2 51069 1 . PRO 3 3 51069 1 . GLY 4 4 51069 1 . GLY 5 5 51069 1 . GLY 6 6 51069 1 . PRO 7 7 51069 1 . GLY 8 8 51069 1 . GLY 9 9 51069 1 . SER 10 10 51069 1 . HIS 11 11 51069 1 . MET 12 12 51069 1 . GLY 13 13 51069 1 . GLY 14 14 51069 1 . ASN 15 15 51069 1 . TYR 16 16 51069 1 . GLY 17 17 51069 1 . ASP 18 18 51069 1 . ASP 19 19 51069 1 . ARG 20 20 51069 1 . ARG 21 21 51069 1 . GLY 22 22 51069 1 . GLY 23 23 51069 1 . ARG 24 24 51069 1 . GLY 25 25 51069 1 . GLY 26 26 51069 1 . TYR 27 27 51069 1 . ASP 28 28 51069 1 . ARG 29 29 51069 1 . GLY 30 30 51069 1 . GLY 31 31 51069 1 . TYR 32 32 51069 1 . ARG 33 33 51069 1 . GLY 34 34 51069 1 . ARG 35 35 51069 1 . GLY 36 36 51069 1 . GLY 37 37 51069 1 . ASP 38 38 51069 1 . ARG 39 39 51069 1 . GLY 40 40 51069 1 . GLY 41 41 51069 1 . PHE 42 42 51069 1 . ARG 43 43 51069 1 . GLY 44 44 51069 1 . GLY 45 45 51069 1 . ARG 46 46 51069 1 . GLY 47 47 51069 1 . GLY 48 48 51069 1 . GLY 49 49 51069 1 . ASP 50 50 51069 1 . ARG 51 51 51069 1 . GLY 52 52 51069 1 . GLY 53 53 51069 1 . PHE 54 54 51069 1 . GLY 55 55 51069 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51069 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51069 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51069 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pTHMT . . . 51069 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51069 _Sample.ID 1 _Sample.Name 'FUS RGG3' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FUS RGG3' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.6 . . mM . . . . 51069 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 51069 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51069 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 51069 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'FUS RGG3' _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' 150 . mM 51069 1 pH 5.5 . pH 51069 1 pressure 1 . atm 51069 1 temperature 298 . K 51069 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51069 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51069 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51069 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '850 MHz Bruker Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51069 _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 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51069 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51069 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51069 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51069 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 51069 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'FUS RGG3' _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 TSP 'methyl carbons' . . . . ppm 117.081 external direct 1 . . . . . 51069 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51069 1 N 15 'ammonium chloride' nitrogen . . . . ppm 42.75 external direct 1 . . . . . 51069 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 51069 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FUS RGG3' _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 '3D CBCA(CO)NH' . . . 51069 1 2 '3D HNCO' . . . 51069 1 3 '3D HN(CA)CO' . . . 51069 1 4 '3D HNCACB' . . . 51069 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51069 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASP H H 1 8.281 0.00 . . . . . . . 453 ASP HN . 51069 1 2 . 1 . 1 1 1 ASP C C 13 173.524 0.00 . . . . . . . 453 ASP C . 51069 1 3 . 1 . 1 1 1 ASP CA C 13 51.689 0.05 . . . . . . . 453 ASP CA . 51069 1 4 . 1 . 1 1 1 ASP CB C 13 38.699 0.05 . . . . . . . 453 ASP CB . 51069 1 5 . 1 . 1 1 1 ASP N N 15 121.454 0.01 . . . . . . . 453 ASP N . 51069 1 6 . 1 . 1 2 2 GLY H H 1 8.161 0.00 . . . . . . . 454 GLY HN . 51069 1 7 . 1 . 1 2 2 GLY C C 13 175.796 0.00 . . . . . . . 454 GLY C . 51069 1 8 . 1 . 1 2 2 GLY CA C 13 41.941 0.00 . . . . . . . 454 GLY CA . 51069 1 9 . 1 . 1 2 2 GLY N N 15 108.718 0.01 . . . . . . . 454 GLY N . 51069 1 10 . 1 . 1 3 3 PRO C C 13 175.219 0.00 . . . . . . . 455 PRO C . 51069 1 11 . 1 . 1 3 3 PRO CA C 13 60.796 0.05 . . . . . . . 455 PRO CA . 51069 1 12 . 1 . 1 3 3 PRO CB C 13 29.291 0.01 . . . . . . . 455 PRO CB . 51069 1 13 . 1 . 1 4 4 GLY H H 1 8.536 0.00 . . . . . . . 456 GLY HN . 51069 1 14 . 1 . 1 4 4 GLY C C 13 171.939 0.01 . . . . . . . 456 GLY C . 51069 1 15 . 1 . 1 4 4 GLY CA C 13 42.557 0.06 . . . . . . . 456 GLY CA . 51069 1 16 . 1 . 1 4 4 GLY N N 15 109.459 0.01 . . . . . . . 456 GLY N . 51069 1 17 . 1 . 1 5 5 GLY H H 1 8.219 0.00 . . . . . . . 457 GLY HN . 51069 1 18 . 1 . 1 5 5 GLY C C 13 171.670 0.04 . . . . . . . 457 GLY C . 51069 1 19 . 1 . 1 5 5 GLY CA C 13 42.434 0.07 . . . . . . . 457 GLY CA . 51069 1 20 . 1 . 1 5 5 GLY N N 15 108.378 0.02 . . . . . . . 457 GLY N . 51069 1 21 . 1 . 1 6 6 GLY H H 1 8.126 0.00 . . . . . . . 458 GLY HN . 51069 1 22 . 1 . 1 6 6 GLY C C 13 175.909 0.00 . . . . . . . 458 GLY C . 51069 1 23 . 1 . 1 6 6 GLY CA C 13 41.863 0.00 . . . . . . . 458 GLY CA . 51069 1 24 . 1 . 1 6 6 GLY N N 15 108.527 0.01 . . . . . . . 458 GLY N . 51069 1 25 . 1 . 1 7 7 PRO C C 13 175.279 0.00 . . . . . . . 459 PRO C . 51069 1 26 . 1 . 1 7 7 PRO CA C 13 60.915 0.06 . . . . . . . 459 PRO CA . 51069 1 27 . 1 . 1 7 7 PRO CB C 13 29.248 0.01 . . . . . . . 459 PRO CB . 51069 1 28 . 1 . 1 8 8 GLY H H 1 8.578 0.00 . . . . . . . 460 GLY HN . 51069 1 29 . 1 . 1 8 8 GLY C C 13 172.067 0.01 . . . . . . . 460 GLY C . 51069 1 30 . 1 . 1 8 8 GLY CA C 13 42.718 0.06 . . . . . . . 460 GLY CA . 51069 1 31 . 1 . 1 8 8 GLY N N 15 109.502 0.01 . . . . . . . 460 GLY N . 51069 1 32 . 1 . 1 9 9 GLY H H 1 8.175 0.00 . . . . . . . 461 GLY HN . 51069 1 33 . 1 . 1 9 9 GLY C C 13 171.616 0.02 . . . . . . . 461 GLY C . 51069 1 34 . 1 . 1 9 9 GLY CA C 13 42.541 0.04 . . . . . . . 461 GLY CA . 51069 1 35 . 1 . 1 9 9 GLY N N 15 108.448 0.02 . . . . . . . 461 GLY N . 51069 1 36 . 1 . 1 10 10 SER H H 1 8.173 0.00 . . . . . . . 462 SER HN . 51069 1 37 . 1 . 1 10 10 SER C C 13 171.793 0.00 . . . . . . . 462 SER C . 51069 1 38 . 1 . 1 10 10 SER CA C 13 55.752 0.00 . . . . . . . 462 SER CA . 51069 1 39 . 1 . 1 10 10 SER CB C 13 61.149 0.00 . . . . . . . 462 SER CB . 51069 1 40 . 1 . 1 10 10 SER N N 15 115.183 0.01 . . . . . . . 462 SER N . 51069 1 41 . 1 . 1 11 11 HIS C C 13 172.042 0.01 . . . . . . . 463 HIS C . 51069 1 42 . 1 . 1 11 11 HIS CA C 13 52.929 0.00 . . . . . . . 463 HIS CA . 51069 1 43 . 1 . 1 11 11 HIS CB C 13 26.577 0.00 . . . . . . . 463 HIS CB . 51069 1 44 . 1 . 1 12 12 MET H H 1 8.335 0.00 . . . . . . . 464 MET HN . 51069 1 45 . 1 . 1 12 12 MET C C 13 173.873 0.00 . . . . . . . 464 MET C . 51069 1 46 . 1 . 1 12 12 MET CA C 13 52.855 0.06 . . . . . . . 464 MET CA . 51069 1 47 . 1 . 1 12 12 MET CB C 13 30.065 0.01 . . . . . . . 464 MET CB . 51069 1 48 . 1 . 1 12 12 MET N N 15 121.295 0.01 . . . . . . . 464 MET N . 51069 1 49 . 1 . 1 13 13 GLY H H 1 8.431 0.00 . . . . . . . 465 GLY HN . 51069 1 50 . 1 . 1 13 13 GLY C C 13 171.707 0.02 . . . . . . . 465 GLY C . 51069 1 51 . 1 . 1 13 13 GLY CA C 13 42.530 0.01 . . . . . . . 465 GLY CA . 51069 1 52 . 1 . 1 13 13 GLY N N 15 109.992 0.02 . . . . . . . 465 GLY N . 51069 1 53 . 1 . 1 14 14 GLY H H 1 8.218 0.00 . . . . . . . 466 GLY HN . 51069 1 54 . 1 . 1 14 14 GLY C C 13 170.974 0.00 . . . . . . . 466 GLY C . 51069 1 55 . 1 . 1 14 14 GLY CA C 13 42.501 0.06 . . . . . . . 466 GLY CA . 51069 1 56 . 1 . 1 14 14 GLY N N 15 108.216 0.00 . . . . . . . 466 GLY N . 51069 1 57 . 1 . 1 15 15 ASN H H 1 8.304 0.00 . . . . . . . 467 ASN HN . 51069 1 58 . 1 . 1 15 15 ASN C C 13 172.235 0.01 . . . . . . . 467 ASN C . 51069 1 59 . 1 . 1 15 15 ASN CA C 13 50.202 0.03 . . . . . . . 467 ASN CA . 51069 1 60 . 1 . 1 15 15 ASN CB C 13 36.039 0.07 . . . . . . . 467 ASN CB . 51069 1 61 . 1 . 1 15 15 ASN N N 15 118.561 0.01 . . . . . . . 467 ASN N . 51069 1 62 . 1 . 1 16 16 TYR H H 1 8.223 0.00 . . . . . . . 468 TYR HN . 51069 1 63 . 1 . 1 16 16 TYR C C 13 173.627 0.01 . . . . . . . 468 TYR C . 51069 1 64 . 1 . 1 16 16 TYR CA C 13 55.535 0.05 . . . . . . . 468 TYR CA . 51069 1 65 . 1 . 1 16 16 TYR CB C 13 35.855 0.01 . . . . . . . 468 TYR CB . 51069 1 66 . 1 . 1 16 16 TYR N N 15 120.692 0.01 . . . . . . . 468 TYR N . 51069 1 67 . 1 . 1 17 17 GLY H H 1 8.299 0.00 . . . . . . . 469 GLY HN . 51069 1 68 . 1 . 1 17 17 GLY C C 13 171.210 0.00 . . . . . . . 469 GLY C . 51069 1 69 . 1 . 1 17 17 GLY CA C 13 42.570 0.07 . . . . . . . 469 GLY CA . 51069 1 70 . 1 . 1 17 17 GLY N N 15 110.026 0.01 . . . . . . . 469 GLY N . 51069 1 71 . 1 . 1 18 18 ASP H H 1 8.143 0.00 . . . . . . . 470 ASP HN . 51069 1 72 . 1 . 1 18 18 ASP C C 13 173.430 0.02 . . . . . . . 470 ASP C . 51069 1 73 . 1 . 1 18 18 ASP CA C 13 51.738 0.06 . . . . . . . 470 ASP CA . 51069 1 74 . 1 . 1 18 18 ASP CB C 13 38.481 0.02 . . . . . . . 470 ASP CB . 51069 1 75 . 1 . 1 18 18 ASP N N 15 120.440 0.01 . . . . . . . 470 ASP N . 51069 1 76 . 1 . 1 19 19 ASP H H 1 8.374 0.00 . . . . . . . 471 ASP HN . 51069 1 77 . 1 . 1 19 19 ASP C C 13 174.017 0.01 . . . . . . . 471 ASP C . 51069 1 78 . 1 . 1 19 19 ASP CA C 13 51.759 0.05 . . . . . . . 471 ASP CA . 51069 1 79 . 1 . 1 19 19 ASP CB C 13 38.224 0.18 . . . . . . . 471 ASP CB . 51069 1 80 . 1 . 1 19 19 ASP N N 15 120.847 0.02 . . . . . . . 471 ASP N . 51069 1 81 . 1 . 1 20 20 ARG H H 1 8.266 0.00 . . . . . . . 472 ARG HN . 51069 1 82 . 1 . 1 20 20 ARG C C 13 174.146 0.02 . . . . . . . 472 ARG C . 51069 1 83 . 1 . 1 20 20 ARG CA C 13 53.766 0.05 . . . . . . . 472 ARG CA . 51069 1 84 . 1 . 1 20 20 ARG CB C 13 27.322 0.04 . . . . . . . 472 ARG CB . 51069 1 85 . 1 . 1 20 20 ARG N N 15 120.581 0.01 . . . . . . . 472 ARG N . 51069 1 86 . 1 . 1 21 21 ARG H H 1 8.220 0.00 . . . . . . . 473 ARG HN . 51069 1 87 . 1 . 1 21 21 ARG C C 13 174.388 0.01 . . . . . . . 473 ARG C . 51069 1 88 . 1 . 1 21 21 ARG CA C 13 53.710 0.09 . . . . . . . 473 ARG CA . 51069 1 89 . 1 . 1 21 21 ARG CB C 13 27.673 0.01 . . . . . . . 473 ARG CB . 51069 1 90 . 1 . 1 21 21 ARG N N 15 120.372 0.01 . . . . . . . 473 ARG N . 51069 1 91 . 1 . 1 22 22 GLY H H 1 8.363 0.00 . . . . . . . 474 GLY HN . 51069 1 92 . 1 . 1 22 22 GLY C C 13 172.040 0.01 . . . . . . . 474 GLY C . 51069 1 93 . 1 . 1 22 22 GLY CA C 13 42.681 0.04 . . . . . . . 474 GLY CA . 51069 1 94 . 1 . 1 22 22 GLY N N 15 109.127 0.01 . . . . . . . 474 GLY N . 51069 1 95 . 1 . 1 23 23 GLY H H 1 8.252 0.00 . . . . . . . 475 GLY HN . 51069 1 96 . 1 . 1 23 23 GLY C C 13 171.716 0.01 . . . . . . . 475 GLY C . 51069 1 97 . 1 . 1 23 23 GLY CA C 13 42.564 0.07 . . . . . . . 475 GLY CA . 51069 1 98 . 1 . 1 23 23 GLY N N 15 108.458 0.01 . . . . . . . 475 GLY N . 51069 1 99 . 1 . 1 24 24 ARG H H 1 8.278 0.00 . . . . . . . 476 ARG HN . 51069 1 100 . 1 . 1 24 24 ARG C C 13 174.229 0.00 . . . . . . . 476 ARG C . 51069 1 101 . 1 . 1 24 24 ARG CA C 13 53.586 0.04 . . . . . . . 476 ARG CA . 51069 1 102 . 1 . 1 24 24 ARG CB C 13 27.911 0.01 . . . . . . . 476 ARG CB . 51069 1 103 . 1 . 1 24 24 ARG N N 15 120.254 0.01 . . . . . . . 476 ARG N . 51069 1 104 . 1 . 1 25 25 GLY H H 1 8.462 0.00 . . . . . . . 477 GLY HN . 51069 1 105 . 1 . 1 25 25 GLY C C 13 171.776 0.01 . . . . . . . 477 GLY C . 51069 1 106 . 1 . 1 25 25 GLY CA C 13 42.579 0.04 . . . . . . . 477 GLY CA . 51069 1 107 . 1 . 1 25 25 GLY N N 15 109.562 0.01 . . . . . . . 477 GLY N . 51069 1 108 . 1 . 1 26 26 GLY H H 1 8.194 0.00 . . . . . . . 478 GLY HN . 51069 1 109 . 1 . 1 26 26 GLY C C 13 171.277 0.01 . . . . . . . 478 GLY C . 51069 1 110 . 1 . 1 26 26 GLY CA C 13 42.497 0.07 . . . . . . . 478 GLY CA . 51069 1 111 . 1 . 1 26 26 GLY N N 15 108.342 0.01 . . . . . . . 478 GLY N . 51069 1 112 . 1 . 1 27 27 TYR H H 1 8.050 0.00 . . . . . . . 479 TYR HN . 51069 1 113 . 1 . 1 27 27 TYR C C 13 172.814 0.00 . . . . . . . 479 TYR C . 51069 1 114 . 1 . 1 27 27 TYR CA C 13 55.215 0.02 . . . . . . . 479 TYR CA . 51069 1 115 . 1 . 1 27 27 TYR CB C 13 36.062 0.01 . . . . . . . 479 TYR CB . 51069 1 116 . 1 . 1 27 27 TYR N N 15 119.733 0.01 . . . . . . . 479 TYR N . 51069 1 117 . 1 . 1 28 28 ASP H H 1 8.316 0.00 . . . . . . . 480 ASP HN . 51069 1 118 . 1 . 1 28 28 ASP C C 13 173.532 0.01 . . . . . . . 480 ASP C . 51069 1 119 . 1 . 1 28 28 ASP CA C 13 51.341 0.01 . . . . . . . 480 ASP CA . 51069 1 120 . 1 . 1 28 28 ASP CB C 13 38.514 0.01 . . . . . . . 480 ASP CB . 51069 1 121 . 1 . 1 28 28 ASP N N 15 121.952 0.01 . . . . . . . 480 ASP N . 51069 1 122 . 1 . 1 29 29 ARG H H 1 8.251 0.00 . . . . . . . 481 ARG HN . 51069 1 123 . 1 . 1 29 29 ARG C C 13 174.277 0.01 . . . . . . . 481 ARG C . 51069 1 124 . 1 . 1 29 29 ARG CA C 13 53.756 0.02 . . . . . . . 481 ARG CA . 51069 1 125 . 1 . 1 29 29 ARG CB C 13 27.574 0.01 . . . . . . . 481 ARG CB . 51069 1 126 . 1 . 1 29 29 ARG N N 15 121.785 0.01 . . . . . . . 481 ARG N . 51069 1 127 . 1 . 1 30 30 GLY H H 1 8.446 0.00 . . . . . . . 482 GLY HN . 51069 1 128 . 1 . 1 30 30 GLY C C 13 171.968 0.01 . . . . . . . 482 GLY C . 51069 1 129 . 1 . 1 30 30 GLY CA C 13 42.730 0.06 . . . . . . . 482 GLY CA . 51069 1 130 . 1 . 1 30 30 GLY N N 15 109.023 0.01 . . . . . . . 482 GLY N . 51069 1 131 . 1 . 1 31 31 GLY H H 1 8.151 0.00 . . . . . . . 483 GLY HN . 51069 1 132 . 1 . 1 31 31 GLY C C 13 171.221 0.00 . . . . . . . 483 GLY C . 51069 1 133 . 1 . 1 31 31 GLY CA C 13 42.362 0.03 . . . . . . . 483 GLY CA . 51069 1 134 . 1 . 1 31 31 GLY N N 15 108.396 0.01 . . . . . . . 483 GLY N . 51069 1 135 . 1 . 1 32 32 TYR H H 1 8.178 0.00 . . . . . . . 484 TYR HN . 51069 1 136 . 1 . 1 32 32 TYR C C 13 173.369 0.02 . . . . . . . 484 TYR C . 51069 1 137 . 1 . 1 32 32 TYR CA C 13 55.431 0.10 . . . . . . . 484 TYR CA . 51069 1 138 . 1 . 1 32 32 TYR CB C 13 36.192 0.40 . . . . . . . 484 TYR CB . 51069 1 139 . 1 . 1 32 32 TYR N N 15 120.359 0.01 . . . . . . . 484 TYR N . 51069 1 140 . 1 . 1 33 33 ARG H H 1 8.303 0.00 . . . . . . . 485 ARG HN . 51069 1 141 . 1 . 1 33 33 ARG C C 13 173.661 0.00 . . . . . . . 485 ARG C . 51069 1 142 . 1 . 1 33 33 ARG CA C 13 53.306 0.06 . . . . . . . 485 ARG CA . 51069 1 143 . 1 . 1 33 33 ARG CB C 13 27.839 0.01 . . . . . . . 485 ARG CB . 51069 1 144 . 1 . 1 33 33 ARG N N 15 123.689 0.01 . . . . . . . 485 ARG N . 51069 1 145 . 1 . 1 34 34 GLY H H 1 7.691 0.00 . . . . . . . 486 GLY HN . 51069 1 146 . 1 . 1 34 34 GLY C C 13 171.257 0.01 . . . . . . . 486 GLY C . 51069 1 147 . 1 . 1 34 34 GLY CA C 13 42.517 0.01 . . . . . . . 486 GLY CA . 51069 1 148 . 1 . 1 34 34 GLY N N 15 108.668 0.01 . . . . . . . 486 GLY N . 51069 1 149 . 1 . 1 35 35 ARG H H 1 8.252 0.00 . . . . . . . 487 ARG HN . 51069 1 150 . 1 . 1 35 35 ARG C C 13 174.272 0.01 . . . . . . . 487 ARG C . 51069 1 151 . 1 . 1 35 35 ARG CA C 13 53.551 0.04 . . . . . . . 487 ARG CA . 51069 1 152 . 1 . 1 35 35 ARG CB C 13 28.041 0.03 . . . . . . . 487 ARG CB . 51069 1 153 . 1 . 1 35 35 ARG N N 15 120.186 0.02 . . . . . . . 487 ARG N . 51069 1 154 . 1 . 1 36 36 GLY H H 1 8.510 0.00 . . . . . . . 488 GLY HN . 51069 1 155 . 1 . 1 36 36 GLY C C 13 171.937 0.01 . . . . . . . 488 GLY C . 51069 1 156 . 1 . 1 36 36 GLY CA C 13 42.586 0.04 . . . . . . . 488 GLY CA . 51069 1 157 . 1 . 1 36 36 GLY N N 15 109.975 0.01 . . . . . . . 488 GLY N . 51069 1 158 . 1 . 1 37 37 GLY H H 1 8.276 0.00 . . . . . . . 489 GLY HN . 51069 1 159 . 1 . 1 37 37 GLY C C 13 171.277 0.04 . . . . . . . 489 GLY C . 51069 1 160 . 1 . 1 37 37 GLY CA C 13 42.511 0.04 . . . . . . . 489 GLY CA . 51069 1 161 . 1 . 1 37 37 GLY N N 15 108.683 0.01 . . . . . . . 489 GLY N . 51069 1 162 . 1 . 1 38 38 ASP H H 1 8.262 0.01 . . . . . . . 490 ASP HN . 51069 1 163 . 1 . 1 38 38 ASP C C 13 173.893 0.02 . . . . . . . 490 ASP C . 51069 1 164 . 1 . 1 38 38 ASP CA C 13 51.650 0.06 . . . . . . . 490 ASP CA . 51069 1 165 . 1 . 1 38 38 ASP CB C 13 38.536 0.01 . . . . . . . 490 ASP CB . 51069 1 166 . 1 . 1 38 38 ASP N N 15 120.216 0.03 . . . . . . . 490 ASP N . 51069 1 167 . 1 . 1 39 39 ARG H H 1 8.408 0.00 . . . . . . . 491 ARG HN . 51069 1 168 . 1 . 1 39 39 ARG C C 13 174.262 0.01 . . . . . . . 491 ARG C . 51069 1 169 . 1 . 1 39 39 ARG CA C 13 53.608 0.04 . . . . . . . 491 ARG CA . 51069 1 170 . 1 . 1 39 39 ARG CB C 13 27.607 0.01 . . . . . . . 491 ARG CB . 51069 1 171 . 1 . 1 39 39 ARG N N 15 121.402 0.01 . . . . . . . 491 ARG N . 51069 1 172 . 1 . 1 40 40 GLY H H 1 8.423 0.00 . . . . . . . 492 GLY HN . 51069 1 173 . 1 . 1 40 40 GLY C C 13 171.905 0.01 . . . . . . . 492 GLY C . 51069 1 174 . 1 . 1 40 40 GLY CA C 13 42.696 0.08 . . . . . . . 492 GLY CA . 51069 1 175 . 1 . 1 40 40 GLY N N 15 109.206 0.01 . . . . . . . 492 GLY N . 51069 1 176 . 1 . 1 41 41 GLY H H 1 8.177 0.00 . . . . . . . 493 GLY HN . 51069 1 177 . 1 . 1 41 41 GLY C C 13 171.216 0.01 . . . . . . . 493 GLY C . 51069 1 178 . 1 . 1 41 41 GLY CA C 13 42.503 0.05 . . . . . . . 493 GLY CA . 51069 1 179 . 1 . 1 41 41 GLY N N 15 108.359 0.02 . . . . . . . 493 GLY N . 51069 1 180 . 1 . 1 42 42 PHE H H 1 8.142 0.00 . . . . . . . 494 PHE HN . 51069 1 181 . 1 . 1 42 42 PHE C C 13 173.367 0.03 . . . . . . . 494 PHE C . 51069 1 182 . 1 . 1 42 42 PHE CA C 13 55.417 0.20 . . . . . . . 494 PHE CA . 51069 1 183 . 1 . 1 42 42 PHE CB C 13 36.533 0.33 . . . . . . . 494 PHE CB . 51069 1 184 . 1 . 1 42 42 PHE N N 15 120.445 0.01 . . . . . . . 494 PHE N . 51069 1 185 . 1 . 1 43 43 ARG H H 1 8.378 0.00 . . . . . . . 495 ARG HN . 51069 1 186 . 1 . 1 43 43 ARG C C 13 173.692 0.00 . . . . . . . 495 ARG C . 51069 1 187 . 1 . 1 43 43 ARG CA C 13 53.365 0.05 . . . . . . . 495 ARG CA . 51069 1 188 . 1 . 1 43 43 ARG CB C 13 27.810 0.01 . . . . . . . 495 ARG CB . 51069 1 189 . 1 . 1 43 43 ARG N N 15 123.656 0.01 . . . . . . . 495 ARG N . 51069 1 190 . 1 . 1 44 44 GLY H H 1 7.819 0.00 . . . . . . . 496 GLY HN . 51069 1 191 . 1 . 1 44 44 GLY C C 13 171.877 0.10 . . . . . . . 496 GLY C . 51069 1 192 . 1 . 1 44 44 GLY CA C 13 42.556 0.06 . . . . . . . 496 GLY CA . 51069 1 193 . 1 . 1 44 44 GLY N N 15 108.965 0.01 . . . . . . . 496 GLY N . 51069 1 194 . 1 . 1 45 45 GLY H H 1 8.218 0.00 . . . . . . . 497 GLY HN . 51069 1 195 . 1 . 1 45 45 GLY C C 13 171.684 0.19 . . . . . . . 497 GLY C . 51069 1 196 . 1 . 1 45 45 GLY CA C 13 42.448 0.04 . . . . . . . 497 GLY CA . 51069 1 197 . 1 . 1 45 45 GLY N N 15 108.380 0.02 . . . . . . . 497 GLY N . 51069 1 198 . 1 . 1 46 46 ARG H H 1 8.322 0.00 . . . . . . . 498 ARG HN . 51069 1 199 . 1 . 1 46 46 ARG C C 13 174.273 0.01 . . . . . . . 498 ARG C . 51069 1 200 . 1 . 1 46 46 ARG CA C 13 53.551 0.04 . . . . . . . 498 ARG CA . 51069 1 201 . 1 . 1 46 46 ARG CB C 13 28.001 0.03 . . . . . . . 498 ARG CB . 51069 1 202 . 1 . 1 46 46 ARG N N 15 120.378 0.01 . . . . . . . 498 ARG N . 51069 1 203 . 1 . 1 47 47 GLY H H 1 8.509 0.00 . . . . . . . 499 GLY HN . 51069 1 204 . 1 . 1 47 47 GLY C C 13 171.927 0.00 . . . . . . . 499 GLY C . 51069 1 205 . 1 . 1 47 47 GLY CA C 13 42.516 0.07 . . . . . . . 499 GLY CA . 51069 1 206 . 1 . 1 47 47 GLY N N 15 109.975 0.01 . . . . . . . 499 GLY N . 51069 1 207 . 1 . 1 48 48 GLY H H 1 8.287 0.00 . . . . . . . 500 GLY HN . 51069 1 208 . 1 . 1 48 48 GLY C C 13 172.086 0.00 . . . . . . . 500 GLY C . 51069 1 209 . 1 . 1 48 48 GLY CA C 13 42.577 0.03 . . . . . . . 500 GLY CA . 51069 1 210 . 1 . 1 48 48 GLY N N 15 108.612 0.01 . . . . . . . 500 GLY N . 51069 1 211 . 1 . 1 49 49 GLY H H 1 8.322 0.00 . . . . . . . 501 GLY HN . 51069 1 212 . 1 . 1 49 49 GLY C C 13 171.330 0.00 . . . . . . . 501 GLY C . 51069 1 213 . 1 . 1 49 49 GLY CA C 13 42.537 0.04 . . . . . . . 501 GLY CA . 51069 1 214 . 1 . 1 49 49 GLY N N 15 108.709 0.01 . . . . . . . 501 GLY N . 51069 1 215 . 1 . 1 50 50 ASP H H 1 8.272 0.00 . . . . . . . 502 ASP HN . 51069 1 216 . 1 . 1 50 50 ASP C C 13 173.860 0.01 . . . . . . . 502 ASP C . 51069 1 217 . 1 . 1 50 50 ASP CA C 13 51.729 0.07 . . . . . . . 502 ASP CA . 51069 1 218 . 1 . 1 50 50 ASP CB C 13 38.489 0.02 . . . . . . . 502 ASP CB . 51069 1 219 . 1 . 1 50 50 ASP N N 15 120.250 0.01 . . . . . . . 502 ASP N . 51069 1 220 . 1 . 1 51 51 ARG H H 1 8.381 0.00 . . . . . . . 503 ARG HN . 51069 1 221 . 1 . 1 51 51 ARG C C 13 174.222 0.01 . . . . . . . 503 ARG C . 51069 1 222 . 1 . 1 51 51 ARG CA C 13 53.627 0.04 . . . . . . . 503 ARG CA . 51069 1 223 . 1 . 1 51 51 ARG CB C 13 27.655 0.03 . . . . . . . 503 ARG CB . 51069 1 224 . 1 . 1 51 51 ARG N N 15 120.935 0.01 . . . . . . . 503 ARG N . 51069 1 225 . 1 . 1 52 52 GLY H H 1 8.364 0.00 . . . . . . . 504 GLY HN . 51069 1 226 . 1 . 1 52 52 GLY C C 13 171.780 0.00 . . . . . . . 504 GLY C . 51069 1 227 . 1 . 1 52 52 GLY CA C 13 42.693 0.03 . . . . . . . 504 GLY CA . 51069 1 228 . 1 . 1 52 52 GLY N N 15 109.140 0.02 . . . . . . . 504 GLY N . 51069 1 229 . 1 . 1 53 53 GLY H H 1 8.140 0.00 . . . . . . . 505 GLY HN . 51069 1 230 . 1 . 1 53 53 GLY C C 13 171.129 0.00 . . . . . . . 505 GLY C . 51069 1 231 . 1 . 1 53 53 GLY CA C 13 42.417 0.03 . . . . . . . 505 GLY CA . 51069 1 232 . 1 . 1 53 53 GLY N N 15 108.234 0.01 . . . . . . . 505 GLY N . 51069 1 233 . 1 . 1 54 54 PHE H H 1 8.106 0.00 . . . . . . . 506 PHE HN . 51069 1 234 . 1 . 1 54 54 PHE C C 13 172.549 0.00 . . . . . . . 506 PHE C . 51069 1 235 . 1 . 1 54 54 PHE CA C 13 54.964 0.03 . . . . . . . 506 PHE CA . 51069 1 236 . 1 . 1 54 54 PHE CB C 13 37.069 0.01 . . . . . . . 506 PHE CB . 51069 1 237 . 1 . 1 54 54 PHE N N 15 119.621 0.01 . . . . . . . 506 PHE N . 51069 1 238 . 1 . 1 55 55 GLY H H 1 7.992 0.00 . . . . . . . 507 GLY HN . 51069 1 239 . 1 . 1 55 55 GLY C C 13 176.145 0.00 . . . . . . . 507 GLY C . 51069 1 240 . 1 . 1 55 55 GLY CA C 13 43.453 0.00 . . . . . . . 507 GLY CA . 51069 1 241 . 1 . 1 55 55 GLY N N 15 116.243 0.01 . . . . . . . 507 GLY N . 51069 1 stop_ save_