data_51314 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51314 _Entry.Title ; human FUS 454-526 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-08 _Entry.Accession_date 2022-02-08 _Entry.Last_release_date 2022-02-08 _Entry.Original_release_date 2022-02-08 _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 'The RGG3PY region of human Fused-In-Sarcoma protein.' _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 Aneta Lenard . J. . . 51314 2 Benjamin Bourgeois . . . . 51314 3 Qishun Zhou . . . . 51314 4 Tobias Madl . . . . 51314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 115 51314 '15N chemical shifts' 67 51314 '1H chemical shifts' 68 51314 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 . . 2022-03-28 . original BMRB . 51314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51315 'human methylated FUS 454-526' 51314 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51314 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35203243 _Citation.DOI 10.3390/cells11040592 _Citation.Full_citation . _Citation.Title ; EGCG Promotes FUS Condensate Formation in a Methylation-Dependent Manner ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cells _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 592 _Citation.Page_last 592 _Citation.Year 2022 _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 Aneta Lenard . J. . . 51314 1 2 Qishun Zhou . . . . 51314 1 3 Corina Madreiter-Sokolowski . . . . 51314 1 4 Benjamin Bourgeois . . . . 51314 1 5 Hermann Habacher . . . . 51314 1 6 Yukti Khanna . . . . 51314 1 7 Tobias Madl . . . . 51314 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EGCG; FUS; RG/RGG; LLPS; neurodegenerative diseases; arginine methylation' 51314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51314 _Assembly.ID 1 _Assembly.Name 'human FUS 454-526' _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 yes _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 'human FUS 454-526' 1 $entity_1 . . yes native yes no . . . 51314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51314 _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 ; GPGGGPGGSHMGGNYGDDRR GGRGGYDRGGYRGRGGDRGG FRGGRGGGDRGGFGPGKMDS RGEHRQDRRERPY ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'FUS RGG3PY' _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 1 454 GLY . 51314 1 2 455 PRO . 51314 1 3 456 GLY . 51314 1 4 457 GLY . 51314 1 5 458 GLY . 51314 1 6 459 PRO . 51314 1 7 460 GLY . 51314 1 8 461 GLY . 51314 1 9 462 SER . 51314 1 10 463 HIS . 51314 1 11 464 MET . 51314 1 12 465 GLY . 51314 1 13 466 GLY . 51314 1 14 467 ASN . 51314 1 15 468 TYR . 51314 1 16 469 GLY . 51314 1 17 470 ASP . 51314 1 18 471 ASP . 51314 1 19 472 ARG . 51314 1 20 473 ARG . 51314 1 21 474 GLY . 51314 1 22 475 GLY . 51314 1 23 476 ARG . 51314 1 24 477 GLY . 51314 1 25 478 GLY . 51314 1 26 479 TYR . 51314 1 27 480 ASP . 51314 1 28 481 ARG . 51314 1 29 482 GLY . 51314 1 30 483 GLY . 51314 1 31 484 TYR . 51314 1 32 485 ARG . 51314 1 33 486 GLY . 51314 1 34 487 ARG . 51314 1 35 488 GLY . 51314 1 36 489 GLY . 51314 1 37 490 ASP . 51314 1 38 491 ARG . 51314 1 39 492 GLY . 51314 1 40 493 GLY . 51314 1 41 494 PHE . 51314 1 42 495 ARG . 51314 1 43 496 GLY . 51314 1 44 497 GLY . 51314 1 45 498 ARG . 51314 1 46 499 GLY . 51314 1 47 500 GLY . 51314 1 48 501 GLY . 51314 1 49 502 ASP . 51314 1 50 503 ARG . 51314 1 51 504 GLY . 51314 1 52 505 GLY . 51314 1 53 506 PHE . 51314 1 54 507 GLY . 51314 1 55 508 PRO . 51314 1 56 509 GLY . 51314 1 57 510 LYS . 51314 1 58 511 MET . 51314 1 59 512 ASP . 51314 1 60 513 SER . 51314 1 61 514 ARG . 51314 1 62 515 GLY . 51314 1 63 516 GLU . 51314 1 64 517 HIS . 51314 1 65 518 ARG . 51314 1 66 519 GLN . 51314 1 67 520 ASP . 51314 1 68 521 ARG . 51314 1 69 522 ARG . 51314 1 70 523 GLU . 51314 1 71 524 ARG . 51314 1 72 525 PRO . 51314 1 73 526 TYR . 51314 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 51314 1 . PRO 2 2 51314 1 . GLY 3 3 51314 1 . GLY 4 4 51314 1 . GLY 5 5 51314 1 . PRO 6 6 51314 1 . GLY 7 7 51314 1 . GLY 8 8 51314 1 . SER 9 9 51314 1 . HIS 10 10 51314 1 . MET 11 11 51314 1 . GLY 12 12 51314 1 . GLY 13 13 51314 1 . ASN 14 14 51314 1 . TYR 15 15 51314 1 . GLY 16 16 51314 1 . ASP 17 17 51314 1 . ASP 18 18 51314 1 . ARG 19 19 51314 1 . ARG 20 20 51314 1 . GLY 21 21 51314 1 . GLY 22 22 51314 1 . ARG 23 23 51314 1 . GLY 24 24 51314 1 . GLY 25 25 51314 1 . TYR 26 26 51314 1 . ASP 27 27 51314 1 . ARG 28 28 51314 1 . GLY 29 29 51314 1 . GLY 30 30 51314 1 . TYR 31 31 51314 1 . ARG 32 32 51314 1 . GLY 33 33 51314 1 . ARG 34 34 51314 1 . GLY 35 35 51314 1 . GLY 36 36 51314 1 . ASP 37 37 51314 1 . ARG 38 38 51314 1 . GLY 39 39 51314 1 . GLY 40 40 51314 1 . PHE 41 41 51314 1 . ARG 42 42 51314 1 . GLY 43 43 51314 1 . GLY 44 44 51314 1 . ARG 45 45 51314 1 . GLY 46 46 51314 1 . GLY 47 47 51314 1 . GLY 48 48 51314 1 . ASP 49 49 51314 1 . ARG 50 50 51314 1 . GLY 51 51 51314 1 . GLY 52 52 51314 1 . PHE 53 53 51314 1 . GLY 54 54 51314 1 . PRO 55 55 51314 1 . GLY 56 56 51314 1 . LYS 57 57 51314 1 . MET 58 58 51314 1 . ASP 59 59 51314 1 . SER 60 60 51314 1 . ARG 61 61 51314 1 . GLY 62 62 51314 1 . GLU 63 63 51314 1 . HIS 64 64 51314 1 . ARG 65 65 51314 1 . GLN 66 66 51314 1 . ASP 67 67 51314 1 . ARG 68 68 51314 1 . ARG 69 69 51314 1 . GLU 70 70 51314 1 . ARG 71 71 51314 1 . PRO 72 72 51314 1 . TYR 73 73 51314 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 51314 _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 . . . . . . . . . . . FUS . 51314 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 51314 _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 'BL21(DE3) Star' . . plasmid . . pETM11 . . 'residues 454-526' 51314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51314 _Sample.ID 1 _Sample.Name 'human FUS-RGG3PY' _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 Fused-In-Sarcoma '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 583 . . uM . . . . 51314 1 2 'succinic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 51314 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51314 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51314 1 5 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 51314 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51314 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 51314 _Sample_condition_list.ID 1 _Sample_condition_list.Name 25C_pH_6.0_150_mM_NaCl _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 51314 1 pH 6 . pH 51314 1 pressure 1 . atm 51314 1 temperature 298 . K 51314 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51314 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51314 1 'data analysis' . 51314 1 'peak picking' . 51314 1 processing . 51314 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 51314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 51314 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51314 1 2 '2D 1H-13C HSQC/HMQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51314 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51314 1 4 HNCANNH no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51314 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 51314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference_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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51314 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 51314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1H_15N_13CA_13CB_FUS_RGG3PY_454_526 _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' . . . 51314 1 2 '2D 1H-13C HSQC/HMQC' . . . 51314 1 3 '3D HNCACB' . . . 51314 1 4 HNCANNH . . . 51314 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 . . 51314 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 2 2 PRO CA C 13 63.479 . . . . . . . . 455 P CA . 51314 1 2 . 1 . 1 2 2 PRO CB C 13 32.025 . . . . . . . . 455 P CB . 51314 1 3 . 1 . 1 3 3 GLY H H 1 8.497 . . . . . . . . 456 G HN . 51314 1 4 . 1 . 1 3 3 GLY CA C 13 45.375 . . . . . . . . 456 G CA . 51314 1 5 . 1 . 1 3 3 GLY N N 15 109.561 . . . . . . . . 456 G N . 51314 1 6 . 1 . 1 4 4 GLY H H 1 8.167 . . . . . . . . 457 G HN . 51314 1 7 . 1 . 1 4 4 GLY CA C 13 45.165 . . . . . . . . 457 G CA . 51314 1 8 . 1 . 1 4 4 GLY N N 15 108.443 . . . . . . . . 457 G N . 51314 1 9 . 1 . 1 5 5 GLY H H 1 8.087 . . . . . . . . 458 G HN . 51314 1 10 . 1 . 1 5 5 GLY CA C 13 44.522 . . . . . . . . 458 G CA . 51314 1 11 . 1 . 1 5 5 GLY N N 15 108.701 . . . . . . . . 458 G N . 51314 1 12 . 1 . 1 6 6 PRO CA C 13 63.517 . . . . . . . . 459 P CA . 51314 1 13 . 1 . 1 6 6 PRO CB C 13 32.020 . . . . . . . . 459 P CB . 51314 1 14 . 1 . 1 7 7 GLY H H 1 8.514 . . . . . . . . 460 G HN . 51314 1 15 . 1 . 1 7 7 GLY CA C 13 45.385 . . . . . . . . 460 G CA . 51314 1 16 . 1 . 1 7 7 GLY N N 15 109.582 . . . . . . . . 460 G N . 51314 1 17 . 1 . 1 8 8 GLY H H 1 8.127 . . . . . . . . 461 G HN . 51314 1 18 . 1 . 1 8 8 GLY CA C 13 45.166 . . . . . . . . 461 G CA . 51314 1 19 . 1 . 1 8 8 GLY N N 15 108.486 . . . . . . . . 461 G N . 51314 1 20 . 1 . 1 9 9 SER H H 1 8.128 . . . . . . . . 462 S HN . 51314 1 21 . 1 . 1 9 9 SER CA C 13 58.321 . . . . . . . . 462 S CA . 51314 1 22 . 1 . 1 9 9 SER CB C 13 63.808 . . . . . . . . 462 S CB . 51314 1 23 . 1 . 1 9 9 SER N N 15 115.288 . . . . . . . . 462 S N . 51314 1 24 . 1 . 1 10 10 HIS H H 1 8.465 . . . . . . . . 463 H HN . 51314 1 25 . 1 . 1 10 10 HIS CA C 13 55.733 . . . . . . . . 463 H CA . 51314 1 26 . 1 . 1 10 10 HIS CB C 13 29.197 . . . . . . . . 463 H CB . 51314 1 27 . 1 . 1 10 10 HIS N N 15 120.565 . . . . . . . . 463 H N . 51314 1 28 . 1 . 1 11 11 MET H H 1 8.280 . . . . . . . . 464 M HN . 51314 1 29 . 1 . 1 11 11 MET CA C 13 55.522 . . . . . . . . 464 M CA . 51314 1 30 . 1 . 1 11 11 MET CB C 13 32.865 . . . . . . . . 464 M CB . 51314 1 31 . 1 . 1 11 11 MET N N 15 121.338 . . . . . . . . 464 M N . 51314 1 32 . 1 . 1 12 12 GLY H H 1 8.375 . . . . . . . . 465 G HN . 51314 1 33 . 1 . 1 12 12 GLY CA C 13 45.164 . . . . . . . . 465 G CA . 51314 1 34 . 1 . 1 12 12 GLY N N 15 109.993 . . . . . . . . 465 G N . 51314 1 35 . 1 . 1 13 13 GLY H H 1 8.164 . . . . . . . . 466 G HN . 51314 1 36 . 1 . 1 13 13 GLY CA C 13 45.166 . . . . . . . . 466 G CA . 51314 1 37 . 1 . 1 13 13 GLY N N 15 108.273 . . . . . . . . 466 G N . 51314 1 38 . 1 . 1 14 14 ASN H H 1 8.253 . . . . . . . . 467 N HN . 51314 1 39 . 1 . 1 14 14 ASN CA C 13 52.925 . . . . . . . . 467 N CA . 51314 1 40 . 1 . 1 14 14 ASN CB C 13 38.898 . . . . . . . . 467 N CB . 51314 1 41 . 1 . 1 14 14 ASN N N 15 118.641 . . . . . . . . 467 N N . 51314 1 42 . 1 . 1 15 15 TYR H H 1 8.165 . . . . . . . . 468 Y HN . 51314 1 43 . 1 . 1 15 15 TYR CA C 13 58.094 . . . . . . . . 468 Y CA . 51314 1 44 . 1 . 1 15 15 TYR CB C 13 38.523 . . . . . . . . 468 Y CB . 51314 1 45 . 1 . 1 15 15 TYR N N 15 120.650 . . . . . . . . 468 Y N . 51314 1 46 . 1 . 1 16 16 GLY H H 1 8.249 . . . . . . . . 469 G HN . 51314 1 47 . 1 . 1 16 16 GLY CA C 13 45.371 . . . . . . . . 469 G CA . 51314 1 48 . 1 . 1 16 16 GLY N N 15 110.076 . . . . . . . . 469 G N . 51314 1 49 . 1 . 1 17 17 ASP H H 1 8.093 . . . . . . . . 470 D HN . 51314 1 50 . 1 . 1 17 17 ASP CA C 13 54.402 . . . . . . . . 470 D CA . 51314 1 51 . 1 . 1 17 17 ASP CB C 13 41.168 . . . . . . . . 470 D CB . 51314 1 52 . 1 . 1 17 17 ASP N N 15 120.479 . . . . . . . . 470 D N . 51314 1 53 . 1 . 1 18 18 ASP H H 1 8.306 . . . . . . . . 471 D HN . 51314 1 54 . 1 . 1 18 18 ASP CA C 13 54.432 . . . . . . . . 471 D CA . 51314 1 55 . 1 . 1 18 18 ASP CB C 13 40.850 . . . . . . . . 471 D CB . 51314 1 56 . 1 . 1 18 18 ASP N N 15 120.650 . . . . . . . . 471 D N . 51314 1 57 . 1 . 1 19 19 ARG H H 1 8.192 . . . . . . . . 472 R HN . 51314 1 58 . 1 . 1 19 19 ARG CA C 13 56.376 . . . . . . . . 472 R CA . 51314 1 59 . 1 . 1 19 19 ARG CB C 13 30.288 . . . . . . . . 472 R CB . 51314 1 60 . 1 . 1 19 19 ARG N N 15 120.650 . . . . . . . . 472 R N . 51314 1 61 . 1 . 1 20 20 ARG H H 1 8.199 . . . . . . . . 473 R HN . 51314 1 62 . 1 . 1 20 20 ARG CA C 13 56.379 . . . . . . . . 473 R CA . 51314 1 63 . 1 . 1 20 20 ARG CB C 13 30.388 . . . . . . . . 473 R CB . 51314 1 64 . 1 . 1 20 20 ARG N N 15 120.641 . . . . . . . . 473 R N . 51314 1 65 . 1 . 1 21 21 GLY H H 1 8.326 . . . . . . . . 474 G HN . 51314 1 66 . 1 . 1 21 21 GLY CA C 13 45.384 . . . . . . . . 474 G CA . 51314 1 67 . 1 . 1 21 21 GLY N N 15 109.303 . . . . . . . . 474 G N . 51314 1 68 . 1 . 1 22 22 GLY H H 1 8.203 . . . . . . . . 475 G HN . 51314 1 69 . 1 . 1 22 22 GLY CA C 13 45.168 . . . . . . . . 475 G CA . 51314 1 70 . 1 . 1 22 22 GLY N N 15 108.530 . . . . . . . . 475 G N . 51314 1 71 . 1 . 1 23 23 ARG H H 1 8.234 . . . . . . . . 476 R HN . 51314 1 72 . 1 . 1 23 23 ARG CA C 13 56.168 . . . . . . . . 476 R CA . 51314 1 73 . 1 . 1 23 23 ARG CB C 13 30.714 . . . . . . . . 476 R CB . 51314 1 74 . 1 . 1 23 23 ARG N N 15 120.392 . . . . . . . . 476 R N . 51314 1 75 . 1 . 1 24 24 GLY H H 1 8.416 . . . . . . . . 477 G HN . 51314 1 76 . 1 . 1 24 24 GLY CA C 13 45.302 . . . . . . . . 477 G CA . 51314 1 77 . 1 . 1 24 24 GLY N N 15 109.641 . . . . . . . . 477 G N . 51314 1 78 . 1 . 1 25 25 GLY H H 1 8.140 . . . . . . . . 478 G HN . 51314 1 79 . 1 . 1 25 25 GLY CA C 13 45.165 . . . . . . . . 478 G CA . 51314 1 80 . 1 . 1 25 25 GLY N N 15 108.444 . . . . . . . . 478 G N . 51314 1 81 . 1 . 1 26 26 TYR H H 1 7.992 . . . . . . . . 479 Y HN . 51314 1 82 . 1 . 1 26 26 TYR CA C 13 57.888 . . . . . . . . 479 Y CA . 51314 1 83 . 1 . 1 26 26 TYR CB C 13 38.766 . . . . . . . . 479 Y CB . 51314 1 84 . 1 . 1 26 26 TYR N N 15 119.790 . . . . . . . . 479 Y N . 51314 1 85 . 1 . 1 27 27 ASP H H 1 8.273 . . . . . . . . 480 D HN . 51314 1 86 . 1 . 1 27 27 ASP CA C 13 54.240 . . . . . . . . 480 D CA . 51314 1 87 . 1 . 1 27 27 ASP CB C 13 41.287 . . . . . . . . 480 D CB . 51314 1 88 . 1 . 1 27 27 ASP N N 15 121.852 . . . . . . . . 480 D N . 51314 1 89 . 1 . 1 28 28 ARG H H 1 8.179 . . . . . . . . 481 R HN . 51314 1 90 . 1 . 1 28 28 ARG CA C 13 56.364 . . . . . . . . 481 R CA . 51314 1 91 . 1 . 1 28 28 ARG CB C 13 30.280 . . . . . . . . 481 R CB . 51314 1 92 . 1 . 1 28 28 ARG N N 15 121.683 . . . . . . . . 481 R N . 51314 1 93 . 1 . 1 29 29 GLY H H 1 8.397 . . . . . . . . 482 G HN . 51314 1 94 . 1 . 1 29 29 GLY CA C 13 45.384 . . . . . . . . 482 G CA . 51314 1 95 . 1 . 1 29 29 GLY N N 15 109.131 . . . . . . . . 482 G N . 51314 1 96 . 1 . 1 30 30 GLY H H 1 8.114 . . . . . . . . 483 G HN . 51314 1 97 . 1 . 1 30 30 GLY CA C 13 45.166 . . . . . . . . 483 G CA . 51314 1 98 . 1 . 1 30 30 GLY N N 15 108.530 . . . . . . . . 483 G N . 51314 1 99 . 1 . 1 31 31 TYR H H 1 8.078 . . . . . . . . 484 Y HN . 51314 1 100 . 1 . 1 31 31 TYR CA C 13 58.316 . . . . . . . . 484 Y CA . 51314 1 101 . 1 . 1 31 31 TYR CB C 13 38.690 . . . . . . . . 484 Y CB . 51314 1 102 . 1 . 1 31 31 TYR N N 15 120.398 . . . . . . . . 484 Y N . 51314 1 103 . 1 . 1 32 32 ARG H H 1 8.260 . . . . . . . . 485 R HN . 51314 1 104 . 1 . 1 32 32 ARG CA C 13 55.953 . . . . . . . . 485 R CA . 51314 1 105 . 1 . 1 32 32 ARG CB C 13 30.501 . . . . . . . . 485 R CB . 51314 1 106 . 1 . 1 32 32 ARG N N 15 123.573 . . . . . . . . 485 R N . 51314 1 107 . 1 . 1 33 33 GLY H H 1 7.687 . . . . . . . . 486 G HN . 51314 1 108 . 1 . 1 33 33 GLY CA C 13 45.159 . . . . . . . . 486 G CA . 51314 1 109 . 1 . 1 33 33 GLY N N 15 108.788 . . . . . . . . 486 G N . 51314 1 110 . 1 . 1 34 34 ARG H H 1 8.197 . . . . . . . . 487 R HN . 51314 1 111 . 1 . 1 34 34 ARG CA C 13 56.380 . . . . . . . . 487 R CA . 51314 1 112 . 1 . 1 34 34 ARG CB C 13 30.494 . . . . . . . . 487 R CB . 51314 1 113 . 1 . 1 34 34 ARG N N 15 120.220 . . . . . . . . 487 R N . 51314 1 114 . 1 . 1 35 35 GLY H H 1 8.472 . . . . . . . . 488 G HN . 51314 1 115 . 1 . 1 35 35 GLY CA C 13 45.379 . . . . . . . . 488 G CA . 51314 1 116 . 1 . 1 35 35 GLY N N 15 109.991 . . . . . . . . 488 G N . 51314 1 117 . 1 . 1 36 36 GLY H H 1 8.211 . . . . . . . . 489 G HN . 51314 1 118 . 1 . 1 36 36 GLY CA C 13 45.173 . . . . . . . . 489 G CA . 51314 1 119 . 1 . 1 36 36 GLY N N 15 108.702 . . . . . . . . 489 G N . 51314 1 120 . 1 . 1 37 37 ASP H H 1 8.223 . . . . . . . . 490 D HN . 51314 1 121 . 1 . 1 37 37 ASP CA C 13 54.222 . . . . . . . . 490 D CA . 51314 1 122 . 1 . 1 37 37 ASP CB C 13 41.289 . . . . . . . . 490 D CB . 51314 1 123 . 1 . 1 37 37 ASP N N 15 120.306 . . . . . . . . 490 D N . 51314 1 124 . 1 . 1 38 38 ARG H H 1 8.335 . . . . . . . . 491 R HN . 51314 1 125 . 1 . 1 38 38 ARG CA C 13 56.169 . . . . . . . . 491 R CA . 51314 1 126 . 1 . 1 38 38 ARG CB C 13 30.291 . . . . . . . . 491 R CB . 51314 1 127 . 1 . 1 38 38 ARG N N 15 121.338 . . . . . . . . 491 R N . 51314 1 128 . 1 . 1 39 39 GLY H H 1 8.368 . . . . . . . . 492 G HN . 51314 1 129 . 1 . 1 39 39 GLY CA C 13 45.385 . . . . . . . . 492 G CA . 51314 1 130 . 1 . 1 39 39 GLY N N 15 109.217 . . . . . . . . 492 G N . 51314 1 131 . 1 . 1 40 40 GLY H H 1 8.125 . . . . . . . . 493 G HN . 51314 1 132 . 1 . 1 40 40 GLY CA C 13 45.166 . . . . . . . . 493 G CA . 51314 1 133 . 1 . 1 40 40 GLY N N 15 108.444 . . . . . . . . 493 G N . 51314 1 134 . 1 . 1 41 41 PHE H H 1 8.126 . . . . . . . . 494 F HN . 51314 1 135 . 1 . 1 41 41 PHE CA C 13 57.875 . . . . . . . . 494 F CA . 51314 1 136 . 1 . 1 41 41 PHE CB C 13 39.449 . . . . . . . . 494 F CB . 51314 1 137 . 1 . 1 42 42 ARG H H 1 8.327 . . . . . . . . 495 R HN . 51314 1 138 . 1 . 1 42 42 ARG CA C 13 56.057 . . . . . . . . 495 R CA . 51314 1 139 . 1 . 1 42 42 ARG CB C 13 30.422 . . . . . . . . 495 R CB . 51314 1 140 . 1 . 1 42 42 ARG N N 15 123.572 . . . . . . . . 495 R N . 51314 1 141 . 1 . 1 43 43 GLY H H 1 7.800 . . . . . . . . 496 G HN . 51314 1 142 . 1 . 1 43 43 GLY CA C 13 45.381 . . . . . . . . 496 G CA . 51314 1 143 . 1 . 1 43 43 GLY N N 15 109.046 . . . . . . . . 496 G N . 51314 1 144 . 1 . 1 44 44 GLY H H 1 8.171 . . . . . . . . 497 G HN . 51314 1 145 . 1 . 1 44 44 GLY CA C 13 45.119 . . . . . . . . 497 G CA . 51314 1 146 . 1 . 1 44 44 GLY N N 15 108.530 . . . . . . . . 497 G N . 51314 1 147 . 1 . 1 45 45 ARG H H 1 8.259 . . . . . . . . 498 R HN . 51314 1 148 . 1 . 1 45 45 ARG CA C 13 56.158 . . . . . . . . 498 R CA . 51314 1 149 . 1 . 1 45 45 ARG CB C 13 30.717 . . . . . . . . 498 R CB . 51314 1 150 . 1 . 1 45 45 ARG N N 15 120.468 . . . . . . . . 498 R N . 51314 1 151 . 1 . 1 46 46 GLY H H 1 8.460 . . . . . . . . 499 G HN . 51314 1 152 . 1 . 1 46 46 GLY CA C 13 45.317 . . . . . . . . 499 G CA . 51314 1 153 . 1 . 1 46 46 GLY N N 15 109.991 . . . . . . . . 499 G N . 51314 1 154 . 1 . 1 47 47 GLY H H 1 8.234 . . . . . . . . 500 G HN . 51314 1 155 . 1 . 1 47 47 GLY CA C 13 45.169 . . . . . . . . 500 G CA . 51314 1 156 . 1 . 1 47 47 GLY N N 15 108.702 . . . . . . . . 500 G N . 51314 1 157 . 1 . 1 48 48 GLY H H 1 8.262 . . . . . . . . 501 G HN . 51314 1 158 . 1 . 1 48 48 GLY CA C 13 45.174 . . . . . . . . 501 G CA . 51314 1 159 . 1 . 1 48 48 GLY N N 15 108.787 . . . . . . . . 501 G N . 51314 1 160 . 1 . 1 49 49 ASP H H 1 8.241 . . . . . . . . 502 D HN . 51314 1 161 . 1 . 1 49 49 ASP CA C 13 54.359 . . . . . . . . 502 D CA . 51314 1 162 . 1 . 1 49 49 ASP CB C 13 41.284 . . . . . . . . 502 D CB . 51314 1 163 . 1 . 1 49 49 ASP N N 15 120.306 . . . . . . . . 502 D N . 51314 1 164 . 1 . 1 50 50 ARG H H 1 8.328 . . . . . . . . 503 R HN . 51314 1 165 . 1 . 1 50 50 ARG CA C 13 56.168 . . . . . . . . 503 R CA . 51314 1 166 . 1 . 1 50 50 ARG CB C 13 30.288 . . . . . . . . 503 R CB . 51314 1 167 . 1 . 1 50 50 ARG N N 15 121.165 . . . . . . . . 503 R N . 51314 1 168 . 1 . 1 51 51 GLY H H 1 8.340 . . . . . . . . 504 G HN . 51314 1 169 . 1 . 1 51 51 GLY CA C 13 45.382 . . . . . . . . 504 G CA . 51314 1 170 . 1 . 1 51 51 GLY N N 15 109.217 . . . . . . . . 504 G N . 51314 1 171 . 1 . 1 52 52 GLY H H 1 8.086 . . . . . . . . 505 G HN . 51314 1 172 . 1 . 1 52 52 GLY CA C 13 45.161 . . . . . . . . 505 G CA . 51314 1 173 . 1 . 1 52 52 GLY N N 15 108.357 . . . . . . . . 505 G N . 51314 1 174 . 1 . 1 53 53 PHE H H 1 8.073 . . . . . . . . 506 F HN . 51314 1 175 . 1 . 1 53 53 PHE CA C 13 57.457 . . . . . . . . 506 F CA . 51314 1 176 . 1 . 1 53 53 PHE CB C 13 39.781 . . . . . . . . 506 F CB . 51314 1 177 . 1 . 1 53 53 PHE N N 15 119.443 . . . . . . . . 506 F N . 51314 1 178 . 1 . 1 54 54 GLY H H 1 8.204 . . . . . . . . 507 G HN . 51314 1 179 . 1 . 1 54 54 GLY CA C 13 44.528 . . . . . . . . 507 G CA . 51314 1 180 . 1 . 1 54 54 GLY N N 15 110.335 . . . . . . . . 507 G N . 51314 1 181 . 1 . 1 55 55 PRO CA C 13 63.493 . . . . . . . . 508 P CA . 51314 1 182 . 1 . 1 55 55 PRO CB C 13 32.026 . . . . . . . . 508 P CB . 51314 1 183 . 1 . 1 56 56 GLY H H 1 8.465 . . . . . . . . 509 G HN . 51314 1 184 . 1 . 1 56 56 GLY CA C 13 45.180 . . . . . . . . 509 G CA . 51314 1 185 . 1 . 1 56 56 GLY N N 15 109.391 . . . . . . . . 509 G N . 51314 1 186 . 1 . 1 57 57 LYS H H 1 8.073 . . . . . . . . 510 K HN . 51314 1 187 . 1 . 1 57 57 LYS CA C 13 56.164 . . . . . . . . 510 K CA . 51314 1 188 . 1 . 1 57 57 LYS CB C 13 32.994 . . . . . . . . 510 K CB . 51314 1 189 . 1 . 1 57 57 LYS N N 15 120.594 . . . . . . . . 510 K N . 51314 1 190 . 1 . 1 58 58 MET H H 1 8.362 . . . . . . . . 511 M HN . 51314 1 191 . 1 . 1 58 58 MET CA C 13 55.517 . . . . . . . . 511 M CA . 51314 1 192 . 1 . 1 58 58 MET CB C 13 32.639 . . . . . . . . 511 M CB . 51314 1 193 . 1 . 1 58 58 MET N N 15 121.082 . . . . . . . . 511 M N . 51314 1 194 . 1 . 1 59 59 ASP H H 1 8.273 . . . . . . . . 512 D HN . 51314 1 195 . 1 . 1 59 59 ASP CA C 13 54.152 . . . . . . . . 512 D CA . 51314 1 196 . 1 . 1 59 59 ASP CB C 13 32.881 . . . . . . . . 512 D CB . 51314 1 197 . 1 . 1 59 59 ASP N N 15 121.681 . . . . . . . . 512 D N . 51314 1 198 . 1 . 1 60 60 SER H H 1 8.286 . . . . . . . . 513 S HN . 51314 1 199 . 1 . 1 60 60 SER CA C 13 58.732 . . . . . . . . 513 S CA . 51314 1 200 . 1 . 1 60 60 SER CB C 13 63.511 . . . . . . . . 513 S CB . 51314 1 201 . 1 . 1 60 60 SER N N 15 116.888 . . . . . . . . 513 S N . 51314 1 202 . 1 . 1 61 61 ARG H H 1 8.328 . . . . . . . . 514 R HN . 51314 1 203 . 1 . 1 61 61 ARG CA C 13 56.595 . . . . . . . . 514 R CA . 51314 1 204 . 1 . 1 61 61 ARG CB C 13 30.501 . . . . . . . . 514 R CB . 51314 1 205 . 1 . 1 61 61 ARG N N 15 122.215 . . . . . . . . 514 R N . 51314 1 206 . 1 . 1 62 62 GLY H H 1 8.243 . . . . . . . . 515 G HN . 51314 1 207 . 1 . 1 62 62 GLY CA C 13 45.367 . . . . . . . . 515 G CA . 51314 1 208 . 1 . 1 62 62 GLY N N 15 108.874 . . . . . . . . 515 G N . 51314 1 209 . 1 . 1 63 63 GLU H H 1 8.209 . . . . . . . . 516 E HN . 51314 1 210 . 1 . 1 63 63 GLU CA C 13 56.445 . . . . . . . . 516 E CA . 51314 1 211 . 1 . 1 63 63 GLU CB C 13 30.284 . . . . . . . . 516 E CB . 51314 1 212 . 1 . 1 63 63 GLU N N 15 120.397 . . . . . . . . 516 E N . 51314 1 213 . 1 . 1 64 64 HIS H H 1 8.479 . . . . . . . . 517 H HN . 51314 1 214 . 1 . 1 64 64 HIS CA C 13 55.400 . . . . . . . . 517 H CA . 51314 1 215 . 1 . 1 64 64 HIS CB C 13 29.207 . . . . . . . . 517 H CB . 51314 1 216 . 1 . 1 64 64 HIS N N 15 119.714 . . . . . . . . 517 H N . 51314 1 217 . 1 . 1 65 65 ARG H H 1 8.281 . . . . . . . . 518 R HN . 51314 1 218 . 1 . 1 65 65 ARG CA C 13 56.378 . . . . . . . . 518 R CA . 51314 1 219 . 1 . 1 65 65 ARG CB C 13 30.841 . . . . . . . . 518 R CB . 51314 1 220 . 1 . 1 65 65 ARG N N 15 122.464 . . . . . . . . 518 R N . 51314 1 221 . 1 . 1 66 66 GLN H H 1 8.517 . . . . . . . . 519 Q HN . 51314 1 222 . 1 . 1 66 66 GLN CA C 13 55.948 . . . . . . . . 519 Q CA . 51314 1 223 . 1 . 1 66 66 GLN CB C 13 29.421 . . . . . . . . 519 Q CB . 51314 1 224 . 1 . 1 66 66 GLN N N 15 121.421 . . . . . . . . 519 Q N . 51314 1 225 . 1 . 1 67 67 ASP H H 1 8.329 . . . . . . . . 520 D HN . 51314 1 226 . 1 . 1 67 67 ASP CA C 13 54.227 . . . . . . . . 520 D CA . 51314 1 227 . 1 . 1 67 67 ASP CB C 13 41.170 . . . . . . . . 520 D CB . 51314 1 228 . 1 . 1 67 67 ASP N N 15 121.510 . . . . . . . . 520 D N . 51314 1 229 . 1 . 1 68 68 ARG H H 1 8.204 . . . . . . . . 521 R HN . 51314 1 230 . 1 . 1 68 68 ARG CA C 13 56.066 . . . . . . . . 521 R CA . 51314 1 231 . 1 . 1 68 68 ARG CB C 13 30.496 . . . . . . . . 521 R CB . 51314 1 232 . 1 . 1 68 68 ARG N N 15 121.431 . . . . . . . . 521 R N . 51314 1 233 . 1 . 1 69 69 ARG H H 1 8.287 . . . . . . . . 522 R HN . 51314 1 234 . 1 . 1 69 69 ARG CA C 13 56.174 . . . . . . . . 522 R CA . 51314 1 235 . 1 . 1 69 69 ARG CB C 13 30.699 . . . . . . . . 522 R CB . 51314 1 236 . 1 . 1 69 69 ARG N N 15 121.768 . . . . . . . . 522 R N . 51314 1 237 . 1 . 1 70 70 GLU H H 1 8.372 . . . . . . . . 523 E HN . 51314 1 238 . 1 . 1 70 70 GLU CA C 13 56.558 . . . . . . . . 523 E CA . 51314 1 239 . 1 . 1 70 70 GLU CB C 13 30.250 . . . . . . . . 523 E CB . 51314 1 240 . 1 . 1 70 70 GLU N N 15 121.598 . . . . . . . . 523 E N . 51314 1 241 . 1 . 1 71 71 ARG H H 1 8.166 . . . . . . . . 524 R HN . 51314 1 242 . 1 . 1 71 71 ARG CA C 13 53.790 . . . . . . . . 524 R CA . 51314 1 243 . 1 . 1 71 71 ARG CB C 13 30.499 . . . . . . . . 524 R CB . 51314 1 244 . 1 . 1 71 71 ARG N N 15 122.284 . . . . . . . . 524 R N . 51314 1 245 . 1 . 1 72 72 PRO CA C 13 63.494 . . . . . . . . 525 P CA . 51314 1 246 . 1 . 1 72 72 PRO CB C 13 31.579 . . . . . . . . 525 P CB . 51314 1 247 . 1 . 1 73 73 TYR H H 1 7.404 . . . . . . . . 526 Y HN . 51314 1 248 . 1 . 1 73 73 TYR CA C 13 58.851 . . . . . . . . 526 Y CA . 51314 1 249 . 1 . 1 73 73 TYR CB C 13 39.124 . . . . . . . . 526 Y CB . 51314 1 250 . 1 . 1 73 73 TYR N N 15 123.685 . . . . . . . . 526 Y N . 51314 1 stop_ save_