data_51770 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51770 _Entry.Title ; Chemical shifts of UBQLN1 514-589, F547Y at 600 micromolar ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-09 _Entry.Accession_date 2023-01-09 _Entry.Last_release_date 2023-01-09 _Entry.Original_release_date 2023-01-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Gwen Buel . R. . 0000-0003-2917-3055 51770 2 Xiang Chen . . . 0000-0002-0036-0212 51770 3 Kylie Walters . J. . 0000-0001-7590-2891 51770 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51770 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 89 51770 '1H chemical shifts' 107 51770 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 . . 2023-06-22 2023-01-09 update BMRB 'update entry citation' 51770 1 . . 2023-01-30 2023-01-09 original author 'original release' 51770 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51768 'Chemical shifts of UBQLN1 514-586' 51770 BMRB 51769 'Chemical shifts of UBQLN1 514-589, F547Y at 50 micromolar' 51770 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51770 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37022617 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, 13C backbone and Cb resonance assignments for UBQLN1 UBA and UBAA domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 1 _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 101 _Citation.Page_last 106 _Citation.Year 2023 _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 Gwen Buel . R. . . 51770 1 2 Xiang Chen . . . . 51770 1 3 Olumide Kayode . . . . 51770 1 4 Anthony Cruz . . . . 51770 1 5 Kylie Walters . J. . . 51770 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 51770 _Citation.ID 2 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N, 13C backbone resonance assignments for UBQLN1 UBA and UBAA domains ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Gwen Buel . R. . . 51770 2 2 Xiang Chen . . . . 51770 2 3 Olumide Kayode . . . . 51770 2 4 Anthony Cruz . . . . 51770 2 5 Kylie Walters . J. . . 51770 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51770 _Assembly.ID 1 _Assembly.Name 'UBQLN1 514-589, F547Y at 600uM' _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 'UBQLN1 514-589, F547Y 600uM' 1 $entity_1 . . yes native yes no . . . 51770 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51770 _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 ; TAGTTEPGHQQFIQQMLQAL AGVNPQLQNPEVRYQQQLEQ LSAMGFLNREANLQALIATG GDINAAIERLLGSQPS ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 514 THR . 51770 1 2 515 ALA . 51770 1 3 516 GLY . 51770 1 4 517 THR . 51770 1 5 518 THR . 51770 1 6 519 GLU . 51770 1 7 520 PRO . 51770 1 8 521 GLY . 51770 1 9 522 HIS . 51770 1 10 523 GLN . 51770 1 11 524 GLN . 51770 1 12 525 PHE . 51770 1 13 526 ILE . 51770 1 14 527 GLN . 51770 1 15 528 GLN . 51770 1 16 529 MET . 51770 1 17 530 LEU . 51770 1 18 531 GLN . 51770 1 19 532 ALA . 51770 1 20 533 LEU . 51770 1 21 534 ALA . 51770 1 22 535 GLY . 51770 1 23 536 VAL . 51770 1 24 537 ASN . 51770 1 25 538 PRO . 51770 1 26 539 GLN . 51770 1 27 540 LEU . 51770 1 28 541 GLN . 51770 1 29 542 ASN . 51770 1 30 543 PRO . 51770 1 31 544 GLU . 51770 1 32 545 VAL . 51770 1 33 546 ARG . 51770 1 34 547 TYR . 51770 1 35 548 GLN . 51770 1 36 549 GLN . 51770 1 37 550 GLN . 51770 1 38 551 LEU . 51770 1 39 552 GLU . 51770 1 40 553 GLN . 51770 1 41 554 LEU . 51770 1 42 555 SER . 51770 1 43 556 ALA . 51770 1 44 557 MET . 51770 1 45 558 GLY . 51770 1 46 559 PHE . 51770 1 47 560 LEU . 51770 1 48 561 ASN . 51770 1 49 562 ARG . 51770 1 50 563 GLU . 51770 1 51 564 ALA . 51770 1 52 565 ASN . 51770 1 53 566 LEU . 51770 1 54 567 GLN . 51770 1 55 568 ALA . 51770 1 56 569 LEU . 51770 1 57 570 ILE . 51770 1 58 571 ALA . 51770 1 59 572 THR . 51770 1 60 573 GLY . 51770 1 61 574 GLY . 51770 1 62 575 ASP . 51770 1 63 576 ILE . 51770 1 64 577 ASN . 51770 1 65 578 ALA . 51770 1 66 579 ALA . 51770 1 67 580 ILE . 51770 1 68 581 GLU . 51770 1 69 582 ARG . 51770 1 70 583 LEU . 51770 1 71 584 LEU . 51770 1 72 585 GLY . 51770 1 73 586 SER . 51770 1 74 587 GLN . 51770 1 75 588 PRO . 51770 1 76 589 SER . 51770 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 . THR 1 1 51770 1 . ALA 2 2 51770 1 . GLY 3 3 51770 1 . THR 4 4 51770 1 . THR 5 5 51770 1 . GLU 6 6 51770 1 . PRO 7 7 51770 1 . GLY 8 8 51770 1 . HIS 9 9 51770 1 . GLN 10 10 51770 1 . GLN 11 11 51770 1 . PHE 12 12 51770 1 . ILE 13 13 51770 1 . GLN 14 14 51770 1 . GLN 15 15 51770 1 . MET 16 16 51770 1 . LEU 17 17 51770 1 . GLN 18 18 51770 1 . ALA 19 19 51770 1 . LEU 20 20 51770 1 . ALA 21 21 51770 1 . GLY 22 22 51770 1 . VAL 23 23 51770 1 . ASN 24 24 51770 1 . PRO 25 25 51770 1 . GLN 26 26 51770 1 . LEU 27 27 51770 1 . GLN 28 28 51770 1 . ASN 29 29 51770 1 . PRO 30 30 51770 1 . GLU 31 31 51770 1 . VAL 32 32 51770 1 . ARG 33 33 51770 1 . TYR 34 34 51770 1 . GLN 35 35 51770 1 . GLN 36 36 51770 1 . GLN 37 37 51770 1 . LEU 38 38 51770 1 . GLU 39 39 51770 1 . GLN 40 40 51770 1 . LEU 41 41 51770 1 . SER 42 42 51770 1 . ALA 43 43 51770 1 . MET 44 44 51770 1 . GLY 45 45 51770 1 . PHE 46 46 51770 1 . LEU 47 47 51770 1 . ASN 48 48 51770 1 . ARG 49 49 51770 1 . GLU 50 50 51770 1 . ALA 51 51 51770 1 . ASN 52 52 51770 1 . LEU 53 53 51770 1 . GLN 54 54 51770 1 . ALA 55 55 51770 1 . LEU 56 56 51770 1 . ILE 57 57 51770 1 . ALA 58 58 51770 1 . THR 59 59 51770 1 . GLY 60 60 51770 1 . GLY 61 61 51770 1 . ASP 62 62 51770 1 . ILE 63 63 51770 1 . ASN 64 64 51770 1 . ALA 65 65 51770 1 . ALA 66 66 51770 1 . ILE 67 67 51770 1 . GLU 68 68 51770 1 . ARG 69 69 51770 1 . LEU 70 70 51770 1 . LEU 71 71 51770 1 . GLY 72 72 51770 1 . SER 73 73 51770 1 . GLN 74 74 51770 1 . PRO 75 75 51770 1 . SER 76 76 51770 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 51770 _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 . . . . . . . . . . . . . 51770 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 51770 _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) . . plasmid . . pGEX-6P . . . 51770 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51770 _Sample.ID 1 _Sample.Name UBQLN1_514-589_F547Y_600uM _Sample.Type solution _Sample.Sub_type . _Sample.Details '600uM protein in 10 mM MOPS pH 6.5, 50 mM NaCl, 5 mM DTT, 10 uM zinc sulfate, 1 mM pefabloc, 0.1% NaN3, and 5% 2H2O/95% 1H2O.' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'UBQLN1 514-589, F547Y at 600uM' '[U-100% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 51770 1 2 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 51770 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51770 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 51770 1 5 'zinc sulfate' 'natural abundance' . . . . . . 10 . . uM . . . . 51770 1 6 pefabloc 'natural abundance' . . . . . . 1 . . mM . . . . 51770 1 7 NaN3 'natural abundance' . . . . . . 0.1 . . % . . . . 51770 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 51770 _Sample_condition_list.ID 1 _Sample_condition_list.Name Conditions_1 _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' 60 . mM 51770 1 pH 6.5 . pH 51770 1 pressure 1 . atm 51770 1 temperature 298.15 . K 51770 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51770 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51770 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51770 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51770 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51770 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51770 3 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 51770 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker850 _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 51770 _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 . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51770 1 2 '3D 15N-separated NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51770 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 51770 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 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 water protons . . . . ppm 4.771 na direct 1 . . . . . 51770 1 N 15 water nitrogen . . . . ppm 117.079 na direct 1 . . . . . 51770 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 51770 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UBQLN1_514-589_F547Y_600uM _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' . . . 51770 1 2 '3D 15N-separated NOESY' . . . 51770 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 3 $software_3 . . 51770 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 THR H H 1 8.223 0.01 . 1 . . . . . 514 THR HN . 51770 1 2 . 1 . 1 1 1 THR N N 15 115.72 0.2 . 1 . . . . . 514 THR N . 51770 1 3 . 1 . 1 2 2 ALA H H 1 8.261 0.01 . 1 . . . . . 515 ALA HN . 51770 1 4 . 1 . 1 2 2 ALA N N 15 126.431 0.2 . 1 . . . . . 515 ALA N . 51770 1 5 . 1 . 1 3 3 GLY H H 1 8.37 0.01 . 1 . . . . . 516 GLY HN . 51770 1 6 . 1 . 1 3 3 GLY N N 15 108.24 0.2 . 1 . . . . . 516 GLY N . 51770 1 7 . 1 . 1 4 4 THR H H 1 8.021 0.01 . 1 . . . . . 517 THR HN . 51770 1 8 . 1 . 1 4 4 THR N N 15 113.304 0.2 . 1 . . . . . 517 THR N . 51770 1 9 . 1 . 1 5 5 THR H H 1 8.186 0.01 . 1 . . . . . 518 THR HN . 51770 1 10 . 1 . 1 5 5 THR N N 15 116.117 0.2 . 1 . . . . . 518 THR N . 51770 1 11 . 1 . 1 6 6 GLU H H 1 8.418 0.01 . 1 . . . . . 519 GLU HN . 51770 1 12 . 1 . 1 6 6 GLU N N 15 125.09 0.2 . 1 . . . . . 519 GLU N . 51770 1 13 . 1 . 1 8 8 GLY H H 1 8.52 0.01 . 1 . . . . . 521 GLY HN . 51770 1 14 . 1 . 1 8 8 GLY N N 15 108.704 0.2 . 1 . . . . . 521 GLY N . 51770 1 15 . 1 . 1 9 9 HIS H H 1 8.166 0.01 . 1 . . . . . 522 HIS HN . 51770 1 16 . 1 . 1 9 9 HIS N N 15 119.635 0.2 . 1 . . . . . 522 HIS N . 51770 1 17 . 1 . 1 10 10 GLN H H 1 8.401 0.01 . 1 . . . . . 523 GLN HN . 51770 1 18 . 1 . 1 10 10 GLN HE21 H 1 7.509 0.01 . 2 . . . . . 523 GLN HE21 . 51770 1 19 . 1 . 1 10 10 GLN HE22 H 1 6.852 0.01 . 2 . . . . . 523 GLN HE22 . 51770 1 20 . 1 . 1 10 10 GLN N N 15 120.947 0.2 . 1 . . . . . 523 GLN N . 51770 1 21 . 1 . 1 10 10 GLN NE2 N 15 112.21 0.2 . 1 . . . . . 523 GLN NE2 . 51770 1 22 . 1 . 1 11 11 GLN H H 1 8.404 0.01 . 1 . . . . . 524 GLN HN . 51770 1 23 . 1 . 1 11 11 GLN HE21 H 1 7.46 0.01 . 2 . . . . . 524 GLN HE21 . 51770 1 24 . 1 . 1 11 11 GLN HE22 H 1 6.836 0.01 . 2 . . . . . 524 GLN HE22 . 51770 1 25 . 1 . 1 11 11 GLN N N 15 120.778 0.2 . 1 . . . . . 524 GLN N . 51770 1 26 . 1 . 1 11 11 GLN NE2 N 15 112.101 0.2 . 1 . . . . . 524 GLN NE2 . 51770 1 27 . 1 . 1 12 12 PHE H H 1 8.133 0.01 . 1 . . . . . 525 PHE HN . 51770 1 28 . 1 . 1 12 12 PHE N N 15 120.961 0.2 . 1 . . . . . 525 PHE N . 51770 1 29 . 1 . 1 13 13 ILE H H 1 7.988 0.01 . 1 . . . . . 526 ILE HN . 51770 1 30 . 1 . 1 13 13 ILE N N 15 121.4 0.2 . 1 . . . . . 526 ILE N . 51770 1 31 . 1 . 1 14 14 GLN H H 1 8.213 0.01 . 1 . . . . . 527 GLN HN . 51770 1 32 . 1 . 1 14 14 GLN HE21 H 1 7.503 0.01 . 2 . . . . . 527 GLN HE21 . 51770 1 33 . 1 . 1 14 14 GLN HE22 H 1 6.85 0.01 . 2 . . . . . 527 GLN HE22 . 51770 1 34 . 1 . 1 14 14 GLN N N 15 121.737 0.2 . 1 . . . . . 527 GLN N . 51770 1 35 . 1 . 1 14 14 GLN NE2 N 15 112.102 0.2 . 1 . . . . . 527 GLN NE2 . 51770 1 36 . 1 . 1 15 15 GLN H H 1 8.241 0.01 . 1 . . . . . 528 GLN HN . 51770 1 37 . 1 . 1 15 15 GLN HE21 H 1 7.454 0.01 . 2 . . . . . 528 GLN HE21 . 51770 1 38 . 1 . 1 15 15 GLN HE22 H 1 6.815 0.01 . 2 . . . . . 528 GLN HE22 . 51770 1 39 . 1 . 1 15 15 GLN N N 15 120.204 0.2 . 1 . . . . . 528 GLN N . 51770 1 40 . 1 . 1 15 15 GLN NE2 N 15 111.664 0.2 . 1 . . . . . 528 GLN NE2 . 51770 1 41 . 1 . 1 16 16 MET H H 1 8.171 0.01 . 1 . . . . . 529 MET HN . 51770 1 42 . 1 . 1 16 16 MET N N 15 120.852 0.2 . 1 . . . . . 529 MET N . 51770 1 43 . 1 . 1 17 17 LEU H H 1 8.179 0.01 . 1 . . . . . 530 LEU HN . 51770 1 44 . 1 . 1 17 17 LEU N N 15 121.392 0.2 . 1 . . . . . 530 LEU N . 51770 1 45 . 1 . 1 18 18 GLN H H 1 8.123 0.01 . 1 . . . . . 531 GLN HN . 51770 1 46 . 1 . 1 18 18 GLN HE21 H 1 7.477 0.01 . 2 . . . . . 531 GLN HE21 . 51770 1 47 . 1 . 1 18 18 GLN HE22 H 1 6.83 0.01 . 2 . . . . . 531 GLN HE22 . 51770 1 48 . 1 . 1 18 18 GLN N N 15 119.758 0.2 . 1 . . . . . 531 GLN N . 51770 1 49 . 1 . 1 18 18 GLN NE2 N 15 111.883 0.2 . 1 . . . . . 531 GLN NE2 . 51770 1 50 . 1 . 1 19 19 ALA H H 1 8.03 0.01 . 1 . . . . . 532 ALA HN . 51770 1 51 . 1 . 1 19 19 ALA N N 15 123.525 0.2 . 1 . . . . . 532 ALA N . 51770 1 52 . 1 . 1 20 20 LEU H H 1 7.985 0.01 . 1 . . . . . 533 LEU HN . 51770 1 53 . 1 . 1 20 20 LEU N N 15 119.916 0.2 . 1 . . . . . 533 LEU N . 51770 1 54 . 1 . 1 21 21 ALA H H 1 7.964 0.01 . 1 . . . . . 534 ALA HN . 51770 1 55 . 1 . 1 21 21 ALA N N 15 123.13 0.2 . 1 . . . . . 534 ALA N . 51770 1 56 . 1 . 1 22 22 GLY H H 1 8.142 0.01 . 1 . . . . . 535 GLY HN . 51770 1 57 . 1 . 1 22 22 GLY N N 15 107.075 0.2 . 1 . . . . . 535 GLY N . 51770 1 58 . 1 . 1 23 23 VAL H H 1 7.772 0.01 . 1 . . . . . 536 VAL HN . 51770 1 59 . 1 . 1 23 23 VAL N N 15 118.646 0.2 . 1 . . . . . 536 VAL N . 51770 1 60 . 1 . 1 24 24 ASN H H 1 8.468 0.01 . 1 . . . . . 537 ASN HN . 51770 1 61 . 1 . 1 24 24 ASN HD21 H 1 7.659 0.01 . 2 . . . . . 537 ASN HD21 . 51770 1 62 . 1 . 1 24 24 ASN HD22 H 1 7.003 0.01 . 2 . . . . . 537 ASN HD22 . 51770 1 63 . 1 . 1 24 24 ASN N N 15 123.05 0.2 . 1 . . . . . 537 ASN N . 51770 1 64 . 1 . 1 24 24 ASN ND2 N 15 112.756 0.2 . 1 . . . . . 537 ASN ND2 . 51770 1 65 . 1 . 1 26 26 GLN H H 1 8.298 0.01 . 1 . . . . . 539 GLN HN . 51770 1 66 . 1 . 1 26 26 GLN HE21 H 1 7.525 0.01 . 2 . . . . . 539 GLN HE21 . 51770 1 67 . 1 . 1 26 26 GLN HE22 H 1 6.863 0.01 . 2 . . . . . 539 GLN HE22 . 51770 1 68 . 1 . 1 26 26 GLN N N 15 118.034 0.2 . 1 . . . . . 539 GLN N . 51770 1 69 . 1 . 1 26 26 GLN NE2 N 15 112.212 0.2 . 1 . . . . . 539 GLN NE2 . 51770 1 70 . 1 . 1 27 27 LEU H H 1 7.838 0.01 . 1 . . . . . 540 LEU HN . 51770 1 71 . 1 . 1 27 27 LEU N N 15 120.526 0.2 . 1 . . . . . 540 LEU N . 51770 1 72 . 1 . 1 28 28 GLN H H 1 7.964 0.01 . 1 . . . . . 541 GLN HN . 51770 1 73 . 1 . 1 28 28 GLN HE21 H 1 7.428 0.01 . 2 . . . . . 541 GLN HE21 . 51770 1 74 . 1 . 1 28 28 GLN HE22 H 1 6.807 0.01 . 2 . . . . . 541 GLN HE22 . 51770 1 75 . 1 . 1 28 28 GLN N N 15 119.22 0.2 . 1 . . . . . 541 GLN N . 51770 1 76 . 1 . 1 28 28 GLN NE2 N 15 111.883 0.2 . 1 . . . . . 541 GLN NE2 . 51770 1 77 . 1 . 1 29 29 ASN H H 1 8.401 0.01 . 1 . . . . . 542 ASN HN . 51770 1 78 . 1 . 1 29 29 ASN HD21 H 1 7.745 0.01 . 2 . . . . . 542 ASN HD21 . 51770 1 79 . 1 . 1 29 29 ASN HD22 H 1 7.116 0.01 . 2 . . . . . 542 ASN HD22 . 51770 1 80 . 1 . 1 29 29 ASN N N 15 120.542 0.2 . 1 . . . . . 542 ASN N . 51770 1 81 . 1 . 1 29 29 ASN ND2 N 15 112.867 0.2 . 1 . . . . . 542 ASN ND2 . 51770 1 82 . 1 . 1 31 31 GLU H H 1 8.734 0.01 . 1 . . . . . 544 GLU HN . 51770 1 83 . 1 . 1 31 31 GLU N N 15 116.555 0.2 . 1 . . . . . 544 GLU N . 51770 1 84 . 1 . 1 32 32 VAL H H 1 7.243 0.01 . 1 . . . . . 545 VAL HN . 51770 1 85 . 1 . 1 32 32 VAL N N 15 118.001 0.2 . 1 . . . . . 545 VAL N . 51770 1 86 . 1 . 1 33 33 ARG H H 1 7.972 0.01 . 1 . . . . . 546 ARG HN . 51770 1 87 . 1 . 1 33 33 ARG N N 15 121.508 0.2 . 1 . . . . . 546 ARG N . 51770 1 88 . 1 . 1 34 34 TYR H H 1 7.941 0.01 . 1 . . . . . 547 TYR HN . 51770 1 89 . 1 . 1 34 34 TYR N N 15 114.057 0.2 . 1 . . . . . 547 TYR N . 51770 1 90 . 1 . 1 35 35 GLN H H 1 7.175 0.01 . 1 . . . . . 548 GLN HN . 51770 1 91 . 1 . 1 35 35 GLN HE21 H 1 7.631 0.01 . 2 . . . . . 548 GLN HE21 . 51770 1 92 . 1 . 1 35 35 GLN HE22 H 1 6.82 0.01 . 2 . . . . . 548 GLN HE22 . 51770 1 93 . 1 . 1 35 35 GLN N N 15 120.412 0.2 . 1 . . . . . 548 GLN N . 51770 1 94 . 1 . 1 35 35 GLN NE2 N 15 111.555 0.2 . 1 . . . . . 548 GLN NE2 . 51770 1 95 . 1 . 1 36 36 GLN H H 1 8.978 0.01 . 1 . . . . . 549 GLN HN . 51770 1 96 . 1 . 1 36 36 GLN HE21 H 1 7.552 0.01 . 2 . . . . . 549 GLN HE21 . 51770 1 97 . 1 . 1 36 36 GLN HE22 H 1 6.863 0.01 . 2 . . . . . 549 GLN HE22 . 51770 1 98 . 1 . 1 36 36 GLN N N 15 118.381 0.2 . 1 . . . . . 549 GLN N . 51770 1 99 . 1 . 1 36 36 GLN NE2 N 15 112.21 0.2 . 1 . . . . . 549 GLN NE2 . 51770 1 100 . 1 . 1 37 37 GLN H H 1 9.15 0.01 . 1 . . . . . 550 GLN HN . 51770 1 101 . 1 . 1 37 37 GLN HE21 H 1 7.864 0.01 . 2 . . . . . 550 GLN HE21 . 51770 1 102 . 1 . 1 37 37 GLN HE22 H 1 7.277 0.01 . 2 . . . . . 550 GLN HE22 . 51770 1 103 . 1 . 1 37 37 GLN N N 15 121.09 0.2 . 1 . . . . . 550 GLN N . 51770 1 104 . 1 . 1 37 37 GLN NE2 N 15 111.992 0.2 . 1 . . . . . 550 GLN NE2 . 51770 1 105 . 1 . 1 38 38 LEU H H 1 8.692 0.01 . 1 . . . . . 551 LEU HN . 51770 1 106 . 1 . 1 38 38 LEU N N 15 119.862 0.2 . 1 . . . . . 551 LEU N . 51770 1 107 . 1 . 1 39 39 GLU H H 1 7.923 0.01 . 1 . . . . . 552 GLU HN . 51770 1 108 . 1 . 1 39 39 GLU N N 15 120.796 0.2 . 1 . . . . . 552 GLU N . 51770 1 109 . 1 . 1 40 40 GLN H H 1 8.178 0.01 . 1 . . . . . 553 GLN HN . 51770 1 110 . 1 . 1 40 40 GLN HE21 H 1 7.223 0.01 . 2 . . . . . 553 GLN HE21 . 51770 1 111 . 1 . 1 40 40 GLN HE22 H 1 6.739 0.01 . 2 . . . . . 553 GLN HE22 . 51770 1 112 . 1 . 1 40 40 GLN N N 15 121.257 0.2 . 1 . . . . . 553 GLN N . 51770 1 113 . 1 . 1 40 40 GLN NE2 N 15 110.131 0.2 . 1 . . . . . 553 GLN NE2 . 51770 1 114 . 1 . 1 41 41 LEU H H 1 8.519 0.01 . 1 . . . . . 554 LEU HN . 51770 1 115 . 1 . 1 41 41 LEU N N 15 118.778 0.2 . 1 . . . . . 554 LEU N . 51770 1 116 . 1 . 1 42 42 SER H H 1 7.861 0.01 . 1 . . . . . 555 SER HN . 51770 1 117 . 1 . 1 42 42 SER N N 15 114.828 0.2 . 1 . . . . . 555 SER N . 51770 1 118 . 1 . 1 43 43 ALA H H 1 7.932 0.01 . 1 . . . . . 556 ALA HN . 51770 1 119 . 1 . 1 43 43 ALA N N 15 124.798 0.2 . 1 . . . . . 556 ALA N . 51770 1 120 . 1 . 1 44 44 MET H H 1 7.675 0.01 . 1 . . . . . 557 MET HN . 51770 1 121 . 1 . 1 44 44 MET N N 15 115.609 0.2 . 1 . . . . . 557 MET N . 51770 1 122 . 1 . 1 45 45 GLY H H 1 7.789 0.01 . 1 . . . . . 558 GLY HN . 51770 1 123 . 1 . 1 45 45 GLY N N 15 105.649 0.2 . 1 . . . . . 558 GLY N . 51770 1 124 . 1 . 1 46 46 PHE H H 1 7.848 0.01 . 1 . . . . . 559 PHE HN . 51770 1 125 . 1 . 1 46 46 PHE N N 15 121.946 0.2 . 1 . . . . . 559 PHE N . 51770 1 126 . 1 . 1 47 47 LEU H H 1 8.195 0.01 . 1 . . . . . 560 LEU HN . 51770 1 127 . 1 . 1 47 47 LEU N N 15 122.716 0.2 . 1 . . . . . 560 LEU N . 51770 1 128 . 1 . 1 48 48 ASN H H 1 9.073 0.01 . 1 . . . . . 561 ASN HN . 51770 1 129 . 1 . 1 48 48 ASN HD21 H 1 7.686 0.01 . 2 . . . . . 561 ASN HD21 . 51770 1 130 . 1 . 1 48 48 ASN HD22 H 1 7.016 0.01 . 2 . . . . . 561 ASN HD22 . 51770 1 131 . 1 . 1 48 48 ASN N N 15 120.94 0.2 . 1 . . . . . 561 ASN N . 51770 1 132 . 1 . 1 48 48 ASN ND2 N 15 112.43 0.2 . 1 . . . . . 561 ASN ND2 . 51770 1 133 . 1 . 1 49 49 ARG H H 1 8.278 0.01 . 1 . . . . . 562 ARG HN . 51770 1 134 . 1 . 1 49 49 ARG N N 15 126.529 0.2 . 1 . . . . . 562 ARG N . 51770 1 135 . 1 . 1 50 50 GLU H H 1 8.213 0.01 . 1 . . . . . 563 GLU HN . 51770 1 136 . 1 . 1 50 50 GLU N N 15 117.793 0.2 . 1 . . . . . 563 GLU N . 51770 1 137 . 1 . 1 51 51 ALA H H 1 7.535 0.01 . 1 . . . . . 564 ALA HN . 51770 1 138 . 1 . 1 51 51 ALA N N 15 123.129 0.2 . 1 . . . . . 564 ALA N . 51770 1 139 . 1 . 1 52 52 ASN H H 1 8.583 0.01 . 1 . . . . . 565 ASN HN . 51770 1 140 . 1 . 1 52 52 ASN HD21 H 1 7.449 0.01 . 2 . . . . . 565 ASN HD21 . 51770 1 141 . 1 . 1 52 52 ASN HD22 H 1 6.486 0.01 . 2 . . . . . 565 ASN HD22 . 51770 1 142 . 1 . 1 52 52 ASN N N 15 120.636 0.2 . 1 . . . . . 565 ASN N . 51770 1 143 . 1 . 1 52 52 ASN ND2 N 15 106.085 0.2 . 1 . . . . . 565 ASN ND2 . 51770 1 144 . 1 . 1 53 53 LEU H H 1 8.369 0.01 . 1 . . . . . 566 LEU HN . 51770 1 145 . 1 . 1 53 53 LEU N N 15 120.364 0.2 . 1 . . . . . 566 LEU N . 51770 1 146 . 1 . 1 54 54 GLN H H 1 7.926 0.01 . 1 . . . . . 567 GLN HN . 51770 1 147 . 1 . 1 54 54 GLN HE21 H 1 7.584 0.01 . 2 . . . . . 567 GLN HE21 . 51770 1 148 . 1 . 1 54 54 GLN HE22 H 1 6.825 0.01 . 2 . . . . . 567 GLN HE22 . 51770 1 149 . 1 . 1 54 54 GLN N N 15 116.371 0.2 . 1 . . . . . 567 GLN N . 51770 1 150 . 1 . 1 54 54 GLN NE2 N 15 112.648 0.2 . 1 . . . . . 567 GLN NE2 . 51770 1 151 . 1 . 1 55 55 ALA H H 1 8.068 0.01 . 1 . . . . . 568 ALA HN . 51770 1 152 . 1 . 1 55 55 ALA N N 15 121.946 0.2 . 1 . . . . . 568 ALA N . 51770 1 153 . 1 . 1 56 56 LEU H H 1 8.001 0.01 . 1 . . . . . 569 LEU HN . 51770 1 154 . 1 . 1 56 56 LEU N N 15 117.922 0.2 . 1 . . . . . 569 LEU N . 51770 1 155 . 1 . 1 57 57 ILE H H 1 8.634 0.01 . 1 . . . . . 570 ILE HN . 51770 1 156 . 1 . 1 57 57 ILE N N 15 120.175 0.2 . 1 . . . . . 570 ILE N . 51770 1 157 . 1 . 1 58 58 ALA H H 1 7.746 0.01 . 1 . . . . . 571 ALA HN . 51770 1 158 . 1 . 1 58 58 ALA N N 15 121.088 0.2 . 1 . . . . . 571 ALA N . 51770 1 159 . 1 . 1 59 59 THR H H 1 7.642 0.01 . 1 . . . . . 572 THR HN . 51770 1 160 . 1 . 1 59 59 THR N N 15 105.202 0.2 . 1 . . . . . 572 THR N . 51770 1 161 . 1 . 1 60 60 GLY H H 1 7.638 0.01 . 1 . . . . . 573 GLY HN . 51770 1 162 . 1 . 1 60 60 GLY N N 15 112.43 0.2 . 1 . . . . . 573 GLY N . 51770 1 163 . 1 . 1 61 61 GLY H H 1 8.813 0.01 . 1 . . . . . 574 GLY HN . 51770 1 164 . 1 . 1 61 61 GLY N N 15 105.43 0.2 . 1 . . . . . 574 GLY N . 51770 1 165 . 1 . 1 62 62 ASP H H 1 6.856 0.01 . 1 . . . . . 575 ASP HN . 51770 1 166 . 1 . 1 62 62 ASP N N 15 120.057 0.2 . 1 . . . . . 575 ASP N . 51770 1 167 . 1 . 1 63 63 ILE H H 1 8.752 0.01 . 1 . . . . . 576 ILE HN . 51770 1 168 . 1 . 1 63 63 ILE N N 15 129.498 0.2 . 1 . . . . . 576 ILE N . 51770 1 169 . 1 . 1 64 64 ASN H H 1 7.911 0.01 . 1 . . . . . 577 ASN HN . 51770 1 170 . 1 . 1 64 64 ASN HD21 H 1 7.848 0.01 . 2 . . . . . 577 ASN HD21 . 51770 1 171 . 1 . 1 64 64 ASN HD22 H 1 6.901 0.01 . 2 . . . . . 577 ASN HD22 . 51770 1 172 . 1 . 1 64 64 ASN N N 15 120.077 0.2 . 1 . . . . . 577 ASN N . 51770 1 173 . 1 . 1 64 64 ASN ND2 N 15 113.523 0.2 . 1 . . . . . 577 ASN ND2 . 51770 1 174 . 1 . 1 65 65 ALA H H 1 8.064 0.01 . 1 . . . . . 578 ALA HN . 51770 1 175 . 1 . 1 65 65 ALA N N 15 123.252 0.2 . 1 . . . . . 578 ALA N . 51770 1 176 . 1 . 1 66 66 ALA H H 1 8.337 0.01 . 1 . . . . . 579 ALA HN . 51770 1 177 . 1 . 1 66 66 ALA N N 15 123.149 0.2 . 1 . . . . . 579 ALA N . 51770 1 178 . 1 . 1 67 67 ILE H H 1 8.222 0.01 . 1 . . . . . 580 ILE HN . 51770 1 179 . 1 . 1 67 67 ILE N N 15 119.08 0.2 . 1 . . . . . 580 ILE N . 51770 1 180 . 1 . 1 68 68 GLU H H 1 7.234 0.01 . 1 . . . . . 581 GLU HN . 51770 1 181 . 1 . 1 68 68 GLU N N 15 116.88 0.2 . 1 . . . . . 581 GLU N . 51770 1 182 . 1 . 1 69 69 ARG H H 1 7.487 0.01 . 1 . . . . . 582 ARG HN . 51770 1 183 . 1 . 1 69 69 ARG N N 15 117.895 0.2 . 1 . . . . . 582 ARG N . 51770 1 184 . 1 . 1 70 70 LEU H H 1 8.322 0.01 . 1 . . . . . 583 LEU HN . 51770 1 185 . 1 . 1 70 70 LEU N N 15 122.255 0.2 . 1 . . . . . 583 LEU N . 51770 1 186 . 1 . 1 71 71 LEU H H 1 8.334 0.01 . 1 . . . . . 584 LEU HN . 51770 1 187 . 1 . 1 71 71 LEU N N 15 118.875 0.2 . 1 . . . . . 584 LEU N . 51770 1 188 . 1 . 1 72 72 GLY H H 1 7.749 0.01 . 1 . . . . . 585 GLY HN . 51770 1 189 . 1 . 1 72 72 GLY N N 15 106.826 0.2 . 1 . . . . . 585 GLY N . 51770 1 190 . 1 . 1 73 73 SER H H 1 7.915 0.01 . 1 . . . . . 586 SER HN . 51770 1 191 . 1 . 1 73 73 SER N N 15 114.734 0.2 . 1 . . . . . 586 SER N . 51770 1 192 . 1 . 1 74 74 GLN H H 1 8.237 0.01 . 1 . . . . . 587 GLN HN . 51770 1 193 . 1 . 1 74 74 GLN HE21 H 1 7.541 0.01 . 2 . . . . . 587 GLN HE21 . 51770 1 194 . 1 . 1 74 74 GLN HE22 H 1 6.825 0.01 . 2 . . . . . 587 GLN HE22 . 51770 1 195 . 1 . 1 74 74 GLN N N 15 122.838 0.2 . 1 . . . . . 587 GLN N . 51770 1 196 . 1 . 1 74 74 GLN NE2 N 15 112.54 0.2 . 1 . . . . . 587 GLN NE2 . 51770 1 stop_ save_