data_52359 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52359 _Entry.Title ; Backbone assignment of Hrp48 RRM1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-21 _Entry.Accession_date 2024-03-21 _Entry.Last_release_date 2024-03-21 _Entry.Original_release_date 2024-03-21 _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 Andrea Lomoschitz . . . . 52359 2 Julia Meyer . . . . 52359 3 Kristian Schweimer . . . . 52359 4 Janosch Hennig . . . . 52359 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52359 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 52359 '15N chemical shifts' 83 52359 '1H chemical shifts' 83 52359 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 . . 2024-12-26 . original BMRB . 52359 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52359 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39504588 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The Drosophila RNA binding protein Hrp48 binds a specific RNA sequence of the msl-2 mRNA 3' UTR to regulate translation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. Chem.' _Citation.Journal_name_full 'Biophysical chemistry' _Citation.Journal_volume 316 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-4200 _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 107346 _Citation.Page_last 107346 _Citation.Year 2025 _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 Andrea Lomoschitz A. . . . 52359 1 2 Julia Meyer J. . . . 52359 1 3 Tanit Guitart T. . . . 52359 1 4 Miroslav Krepl M. . . . 52359 1 5 Karine Lapouge K. . . . 52359 1 6 Clara Hayn C. . . . 52359 1 7 Kristian Schweimer K. . . . 52359 1 8 Bernd Simon B. . . . 52359 1 9 Jiri Sponer J. . . . 52359 1 10 Fatima Gebauer F. . . . 52359 1 11 Janosch Hennig J. . . . 52359 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52359 _Assembly.ID 1 _Assembly.Name 'Hrp48 RRM1 monomer' _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 no _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 'Hrp48 RRM1' 1 $entity_1 . . yes native no no . . . 52359 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52359 _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 ; GAMEEDERGKLFVGGLSWET TQENLSRYFCRFGDIIDCVV MKNNESGRSRGFGFVTFADP TNVNHVLQNGPHTLDGRTID PKPCNPRTLQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal GA from expression tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _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 . GLY . 52359 1 2 . ALA . 52359 1 3 . MET . 52359 1 4 . GLU . 52359 1 5 . GLU . 52359 1 6 . ASP . 52359 1 7 . GLU . 52359 1 8 . ARG . 52359 1 9 . GLY . 52359 1 10 . LYS . 52359 1 11 . LEU . 52359 1 12 . PHE . 52359 1 13 . VAL . 52359 1 14 . GLY . 52359 1 15 . GLY . 52359 1 16 . LEU . 52359 1 17 . SER . 52359 1 18 . TRP . 52359 1 19 . GLU . 52359 1 20 . THR . 52359 1 21 . THR . 52359 1 22 . GLN . 52359 1 23 . GLU . 52359 1 24 . ASN . 52359 1 25 . LEU . 52359 1 26 . SER . 52359 1 27 . ARG . 52359 1 28 . TYR . 52359 1 29 . PHE . 52359 1 30 . CYS . 52359 1 31 . ARG . 52359 1 32 . PHE . 52359 1 33 . GLY . 52359 1 34 . ASP . 52359 1 35 . ILE . 52359 1 36 . ILE . 52359 1 37 . ASP . 52359 1 38 . CYS . 52359 1 39 . VAL . 52359 1 40 . VAL . 52359 1 41 . MET . 52359 1 42 . LYS . 52359 1 43 . ASN . 52359 1 44 . ASN . 52359 1 45 . GLU . 52359 1 46 . SER . 52359 1 47 . GLY . 52359 1 48 . ARG . 52359 1 49 . SER . 52359 1 50 . ARG . 52359 1 51 . GLY . 52359 1 52 . PHE . 52359 1 53 . GLY . 52359 1 54 . PHE . 52359 1 55 . VAL . 52359 1 56 . THR . 52359 1 57 . PHE . 52359 1 58 . ALA . 52359 1 59 . ASP . 52359 1 60 . PRO . 52359 1 61 . THR . 52359 1 62 . ASN . 52359 1 63 . VAL . 52359 1 64 . ASN . 52359 1 65 . HIS . 52359 1 66 . VAL . 52359 1 67 . LEU . 52359 1 68 . GLN . 52359 1 69 . ASN . 52359 1 70 . GLY . 52359 1 71 . PRO . 52359 1 72 . HIS . 52359 1 73 . THR . 52359 1 74 . LEU . 52359 1 75 . ASP . 52359 1 76 . GLY . 52359 1 77 . ARG . 52359 1 78 . THR . 52359 1 79 . ILE . 52359 1 80 . ASP . 52359 1 81 . PRO . 52359 1 82 . LYS . 52359 1 83 . PRO . 52359 1 84 . CYS . 52359 1 85 . ASN . 52359 1 86 . PRO . 52359 1 87 . ARG . 52359 1 88 . THR . 52359 1 89 . LEU . 52359 1 90 . GLN . 52359 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 52359 1 . ALA 2 2 52359 1 . MET 3 3 52359 1 . GLU 4 4 52359 1 . GLU 5 5 52359 1 . ASP 6 6 52359 1 . GLU 7 7 52359 1 . ARG 8 8 52359 1 . GLY 9 9 52359 1 . LYS 10 10 52359 1 . LEU 11 11 52359 1 . PHE 12 12 52359 1 . VAL 13 13 52359 1 . GLY 14 14 52359 1 . GLY 15 15 52359 1 . LEU 16 16 52359 1 . SER 17 17 52359 1 . TRP 18 18 52359 1 . GLU 19 19 52359 1 . THR 20 20 52359 1 . THR 21 21 52359 1 . GLN 22 22 52359 1 . GLU 23 23 52359 1 . ASN 24 24 52359 1 . LEU 25 25 52359 1 . SER 26 26 52359 1 . ARG 27 27 52359 1 . TYR 28 28 52359 1 . PHE 29 29 52359 1 . CYS 30 30 52359 1 . ARG 31 31 52359 1 . PHE 32 32 52359 1 . GLY 33 33 52359 1 . ASP 34 34 52359 1 . ILE 35 35 52359 1 . ILE 36 36 52359 1 . ASP 37 37 52359 1 . CYS 38 38 52359 1 . VAL 39 39 52359 1 . VAL 40 40 52359 1 . MET 41 41 52359 1 . LYS 42 42 52359 1 . ASN 43 43 52359 1 . ASN 44 44 52359 1 . GLU 45 45 52359 1 . SER 46 46 52359 1 . GLY 47 47 52359 1 . ARG 48 48 52359 1 . SER 49 49 52359 1 . ARG 50 50 52359 1 . GLY 51 51 52359 1 . PHE 52 52 52359 1 . GLY 53 53 52359 1 . PHE 54 54 52359 1 . VAL 55 55 52359 1 . THR 56 56 52359 1 . PHE 57 57 52359 1 . ALA 58 58 52359 1 . ASP 59 59 52359 1 . PRO 60 60 52359 1 . THR 61 61 52359 1 . ASN 62 62 52359 1 . VAL 63 63 52359 1 . ASN 64 64 52359 1 . HIS 65 65 52359 1 . VAL 66 66 52359 1 . LEU 67 67 52359 1 . GLN 68 68 52359 1 . ASN 69 69 52359 1 . GLY 70 70 52359 1 . PRO 71 71 52359 1 . HIS 72 72 52359 1 . THR 73 73 52359 1 . LEU 74 74 52359 1 . ASP 75 75 52359 1 . GLY 76 76 52359 1 . ARG 77 77 52359 1 . THR 78 78 52359 1 . ILE 79 79 52359 1 . ASP 80 80 52359 1 . PRO 81 81 52359 1 . LYS 82 82 52359 1 . PRO 83 83 52359 1 . CYS 84 84 52359 1 . ASN 85 85 52359 1 . PRO 86 86 52359 1 . ARG 87 87 52359 1 . THR 88 88 52359 1 . LEU 89 89 52359 1 . GLN 90 90 52359 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 52359 _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 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 52359 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 52359 _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 . . pETM11 . . . 52359 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52359 _Sample.ID 1 _Sample.Name '13C 15N Hrp48 RRM1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Hrp48 RRM1' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52359 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 52359 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 52359 1 4 D2O [U-2H] . . . . . . 5 . . % . . . . 52359 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 52359 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_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' 0.4 . M 52359 1 pH 6.5 . pH 52359 1 pressure 1 . atm 52359 1 temperature 298 . K 52359 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52359 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52359 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 52359 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 52359 _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 . . . . . . . . . . . . . . . . . 52359 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52359 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52359 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52359 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 52359 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52359 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 52359 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52359 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 52359 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '13C_15N_Hrp48 RRM1' _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' . . . 52359 1 2 '3D CBCA(CO)NH' . . . 52359 1 3 '3D HNCA' . . . 52359 1 4 '3D HNCACB' . . . 52359 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 . . 52359 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 GLY H H 1 8.92 0.03 . 1 . . . . . 1 GLY H . 52359 1 2 . 1 . 1 1 1 GLY CA C 13 42.77 0.20 . 1 . . . . . 1 GLY CA . 52359 1 3 . 1 . 1 1 1 GLY N N 15 107.51 0.20 . 1 . . . . . 1 GLY N . 52359 1 4 . 1 . 1 2 2 ALA H H 1 8.46 0.03 . 1 . . . . . 2 ALA H . 52359 1 5 . 1 . 1 2 2 ALA CA C 13 50.11 0.20 . 1 . . . . . 2 ALA CA . 52359 1 6 . 1 . 1 2 2 ALA CB C 13 16.53 0.20 . 1 . . . . . 2 ALA CB . 52359 1 7 . 1 . 1 2 2 ALA N N 15 119.25 0.20 . 1 . . . . . 2 ALA N . 52359 1 8 . 1 . 1 3 3 MET H H 1 8.46 0.03 . 1 . . . . . 3 MET H . 52359 1 9 . 1 . 1 3 3 MET CA C 13 53.36 0.20 . 1 . . . . . 3 MET CA . 52359 1 10 . 1 . 1 3 3 MET CB C 13 29.92 0.20 . 1 . . . . . 3 MET CB . 52359 1 11 . 1 . 1 3 3 MET N N 15 119.05 0.20 . 1 . . . . . 3 MET N . 52359 1 12 . 1 . 1 4 4 GLU H H 1 8.36 0.03 . 1 . . . . . 4 GLU H . 52359 1 13 . 1 . 1 4 4 GLU CA C 13 54.20 0.20 . 1 . . . . . 4 GLU CA . 52359 1 14 . 1 . 1 4 4 GLU CB C 13 27.40 0.20 . 1 . . . . . 4 GLU CB . 52359 1 15 . 1 . 1 4 4 GLU N N 15 121.14 0.20 . 1 . . . . . 4 GLU N . 52359 1 16 . 1 . 1 5 5 GLU H H 1 8.27 0.03 . 1 . . . . . 5 GLU H . 52359 1 17 . 1 . 1 5 5 GLU CA C 13 53.73 0.20 . 1 . . . . . 5 GLU CA . 52359 1 18 . 1 . 1 5 5 GLU CB C 13 27.70 0.20 . 1 . . . . . 5 GLU CB . 52359 1 19 . 1 . 1 5 5 GLU N N 15 121.05 0.20 . 1 . . . . . 5 GLU N . 52359 1 20 . 1 . 1 6 6 ASP H H 1 8.23 0.03 . 1 . . . . . 6 ASP H . 52359 1 21 . 1 . 1 6 6 ASP CA C 13 51.77 0.20 . 1 . . . . . 6 ASP CA . 52359 1 22 . 1 . 1 6 6 ASP CB C 13 38.54 0.20 . 1 . . . . . 6 ASP CB . 52359 1 23 . 1 . 1 6 6 ASP N N 15 121.03 0.20 . 1 . . . . . 6 ASP N . 52359 1 24 . 1 . 1 7 7 GLU H H 1 8.42 0.03 . 1 . . . . . 7 GLU H . 52359 1 25 . 1 . 1 7 7 GLU CA C 13 53.62 0.20 . 1 . . . . . 7 GLU CA . 52359 1 26 . 1 . 1 7 7 GLU CB C 13 27.25 0.20 . 1 . . . . . 7 GLU CB . 52359 1 27 . 1 . 1 7 7 GLU N N 15 120.74 0.20 . 1 . . . . . 7 GLU N . 52359 1 28 . 1 . 1 8 8 ARG H H 1 8.17 0.03 . 1 . . . . . 8 ARG H . 52359 1 29 . 1 . 1 8 8 ARG CA C 13 55.40 0.20 . 1 . . . . . 8 ARG CA . 52359 1 30 . 1 . 1 8 8 ARG CB C 13 27.64 0.20 . 1 . . . . . 8 ARG CB . 52359 1 31 . 1 . 1 8 8 ARG N N 15 120.96 0.20 . 1 . . . . . 8 ARG N . 52359 1 32 . 1 . 1 9 9 GLY H H 1 8.96 0.03 . 1 . . . . . 9 GLY H . 52359 1 33 . 1 . 1 9 9 GLY CA C 13 43.00 0.20 . 1 . . . . . 9 GLY CA . 52359 1 34 . 1 . 1 9 9 GLY N N 15 108.17 0.20 . 1 . . . . . 9 GLY N . 52359 1 35 . 1 . 1 10 10 LYS H H 1 7.60 0.03 . 1 . . . . . 10 LYS H . 52359 1 36 . 1 . 1 10 10 LYS CA C 13 53.64 0.20 . 1 . . . . . 10 LYS CA . 52359 1 37 . 1 . 1 10 10 LYS CB C 13 32.81 0.20 . 1 . . . . . 10 LYS CB . 52359 1 38 . 1 . 1 10 10 LYS N N 15 121.36 0.20 . 1 . . . . . 10 LYS N . 52359 1 39 . 1 . 1 11 11 LEU H H 1 9.48 0.03 . 1 . . . . . 11 LEU H . 52359 1 40 . 1 . 1 11 11 LEU CA C 13 50.81 0.20 . 1 . . . . . 11 LEU CA . 52359 1 41 . 1 . 1 11 11 LEU CB C 13 43.11 0.20 . 1 . . . . . 11 LEU CB . 52359 1 42 . 1 . 1 11 11 LEU N N 15 127.60 0.20 . 1 . . . . . 11 LEU N . 52359 1 43 . 1 . 1 12 12 PHE H H 1 8.94 0.03 . 1 . . . . . 12 PHE H . 52359 1 44 . 1 . 1 12 12 PHE CA C 13 54.37 0.20 . 1 . . . . . 12 PHE CA . 52359 1 45 . 1 . 1 12 12 PHE CB C 13 37.62 0.20 . 1 . . . . . 12 PHE CB . 52359 1 46 . 1 . 1 12 12 PHE N N 15 126.25 0.20 . 1 . . . . . 12 PHE N . 52359 1 47 . 1 . 1 13 13 VAL H H 1 8.15 0.03 . 1 . . . . . 13 VAL H . 52359 1 48 . 1 . 1 13 13 VAL CA C 13 58.40 0.20 . 1 . . . . . 13 VAL CA . 52359 1 49 . 1 . 1 13 13 VAL CB C 13 29.91 0.20 . 1 . . . . . 13 VAL CB . 52359 1 50 . 1 . 1 13 13 VAL N N 15 125.80 0.20 . 1 . . . . . 13 VAL N . 52359 1 51 . 1 . 1 14 14 GLY H H 1 7.65 0.03 . 1 . . . . . 14 GLY H . 52359 1 52 . 1 . 1 14 14 GLY CA C 13 40.49 0.20 . 1 . . . . . 14 GLY CA . 52359 1 53 . 1 . 1 14 14 GLY N N 15 112.80 0.20 . 1 . . . . . 14 GLY N . 52359 1 54 . 1 . 1 15 15 GLY H H 1 8.56 0.03 . 1 . . . . . 15 GLY H . 52359 1 55 . 1 . 1 15 15 GLY CA C 13 43.85 0.20 . 1 . . . . . 15 GLY CA . 52359 1 56 . 1 . 1 15 15 GLY N N 15 106.93 0.20 . 1 . . . . . 15 GLY N . 52359 1 57 . 1 . 1 16 16 LEU H H 1 7.55 0.03 . 1 . . . . . 16 LEU H . 52359 1 58 . 1 . 1 16 16 LEU CA C 13 51.33 0.20 . 1 . . . . . 16 LEU CA . 52359 1 59 . 1 . 1 16 16 LEU CB C 13 40.13 0.20 . 1 . . . . . 16 LEU CB . 52359 1 60 . 1 . 1 16 16 LEU N N 15 114.49 0.20 . 1 . . . . . 16 LEU N . 52359 1 61 . 1 . 1 17 17 SER H H 1 9.00 0.03 . 1 . . . . . 17 SER H . 52359 1 62 . 1 . 1 17 17 SER CA C 13 55.19 0.20 . 1 . . . . . 17 SER CA . 52359 1 63 . 1 . 1 17 17 SER CB C 13 60.19 0.20 . 1 . . . . . 17 SER CB . 52359 1 64 . 1 . 1 17 17 SER N N 15 115.36 0.20 . 1 . . . . . 17 SER N . 52359 1 65 . 1 . 1 18 18 TRP H H 1 8.37 0.03 . 1 . . . . . 18 TRP H . 52359 1 66 . 1 . 1 18 18 TRP HE1 H 1 10.11 0.03 . 1 . . . . . 18 TRP HE1 . 52359 1 67 . 1 . 1 18 18 TRP CA C 13 56.16 0.20 . 1 . . . . . 18 TRP CA . 52359 1 68 . 1 . 1 18 18 TRP CB C 13 25.49 0.20 . 1 . . . . . 18 TRP CB . 52359 1 69 . 1 . 1 18 18 TRP N N 15 128.23 0.20 . 1 . . . . . 18 TRP N . 52359 1 70 . 1 . 1 18 18 TRP NE1 N 15 129.40 0.20 . 1 . . . . . 18 TRP NE1 . 52359 1 71 . 1 . 1 19 19 GLU H H 1 7.90 0.03 . 1 . . . . . 19 GLU H . 52359 1 72 . 1 . 1 19 19 GLU CA C 13 53.78 0.20 . 1 . . . . . 19 GLU CA . 52359 1 73 . 1 . 1 19 19 GLU CB C 13 27.25 0.20 . 1 . . . . . 19 GLU CB . 52359 1 74 . 1 . 1 19 19 GLU N N 15 115.96 0.20 . 1 . . . . . 19 GLU N . 52359 1 75 . 1 . 1 20 20 THR H H 1 7.37 0.03 . 1 . . . . . 20 THR H . 52359 1 76 . 1 . 1 20 20 THR CA C 13 62.20 0.20 . 1 . . . . . 20 THR CA . 52359 1 77 . 1 . 1 20 20 THR CB C 13 65.64 0.20 . 1 . . . . . 20 THR CB . 52359 1 78 . 1 . 1 20 20 THR N N 15 117.47 0.20 . 1 . . . . . 20 THR N . 52359 1 79 . 1 . 1 21 21 THR H H 1 7.43 0.03 . 1 . . . . . 21 THR H . 52359 1 80 . 1 . 1 21 21 THR CA C 13 56.68 0.20 . 1 . . . . . 21 THR CA . 52359 1 81 . 1 . 1 21 21 THR CB C 13 69.26 0.20 . 1 . . . . . 21 THR CB . 52359 1 82 . 1 . 1 21 21 THR N N 15 118.95 0.20 . 1 . . . . . 21 THR N . 52359 1 83 . 1 . 1 22 22 GLN H H 1 9.14 0.03 . 1 . . . . . 22 GLN H . 52359 1 84 . 1 . 1 22 22 GLN CA C 13 56.94 0.20 . 1 . . . . . 22 GLN CA . 52359 1 85 . 1 . 1 22 22 GLN CB C 13 25.11 0.20 . 1 . . . . . 22 GLN CB . 52359 1 86 . 1 . 1 22 22 GLN N N 15 120.90 0.20 . 1 . . . . . 22 GLN N . 52359 1 87 . 1 . 1 23 23 GLU H H 1 8.65 0.03 . 1 . . . . . 23 GLU H . 52359 1 88 . 1 . 1 23 23 GLU CA C 13 57.41 0.20 . 1 . . . . . 23 GLU CA . 52359 1 89 . 1 . 1 23 23 GLU CB C 13 26.02 0.20 . 1 . . . . . 23 GLU CB . 52359 1 90 . 1 . 1 23 23 GLU N N 15 119.82 0.20 . 1 . . . . . 23 GLU N . 52359 1 91 . 1 . 1 24 24 ASN H H 1 7.68 0.03 . 1 . . . . . 24 ASN H . 52359 1 92 . 1 . 1 24 24 ASN CA C 13 52.73 0.20 . 1 . . . . . 24 ASN CA . 52359 1 93 . 1 . 1 24 24 ASN CB C 13 35.25 0.20 . 1 . . . . . 24 ASN CB . 52359 1 94 . 1 . 1 24 24 ASN N N 15 119.69 0.20 . 1 . . . . . 24 ASN N . 52359 1 95 . 1 . 1 25 25 LEU H H 1 8.19 0.03 . 1 . . . . . 25 LEU H . 52359 1 96 . 1 . 1 25 25 LEU CA C 13 55.45 0.20 . 1 . . . . . 25 LEU CA . 52359 1 97 . 1 . 1 25 25 LEU CB C 13 40.04 0.20 . 1 . . . . . 25 LEU CB . 52359 1 98 . 1 . 1 25 25 LEU N N 15 121.90 0.20 . 1 . . . . . 25 LEU N . 52359 1 99 . 1 . 1 26 26 SER H H 1 8.40 0.03 . 1 . . . . . 26 SER H . 52359 1 100 . 1 . 1 26 26 SER CA C 13 58.94 0.20 . 1 . . . . . 26 SER CA . 52359 1 101 . 1 . 1 26 26 SER CB C 13 60.26 0.20 . 1 . . . . . 26 SER CB . 52359 1 102 . 1 . 1 26 26 SER N N 15 114.96 0.20 . 1 . . . . . 26 SER N . 52359 1 103 . 1 . 1 27 27 ARG H H 1 8.18 0.03 . 1 . . . . . 27 ARG H . 52359 1 104 . 1 . 1 27 27 ARG CA C 13 56.48 0.20 . 1 . . . . . 27 ARG CA . 52359 1 105 . 1 . 1 27 27 ARG CB C 13 27.48 0.20 . 1 . . . . . 27 ARG CB . 52359 1 106 . 1 . 1 27 27 ARG N N 15 119.94 0.20 . 1 . . . . . 27 ARG N . 52359 1 107 . 1 . 1 28 28 TYR H H 1 7.58 0.03 . 1 . . . . . 28 TYR H . 52359 1 108 . 1 . 1 28 28 TYR CA C 13 59.30 0.20 . 1 . . . . . 28 TYR CA . 52359 1 109 . 1 . 1 28 28 TYR CB C 13 36.62 0.20 . 1 . . . . . 28 TYR CB . 52359 1 110 . 1 . 1 28 28 TYR N N 15 117.15 0.20 . 1 . . . . . 28 TYR N . 52359 1 111 . 1 . 1 29 29 PHE H H 1 8.09 0.03 . 1 . . . . . 29 PHE H . 52359 1 112 . 1 . 1 29 29 PHE CA C 13 60.69 0.20 . 1 . . . . . 29 PHE CA . 52359 1 113 . 1 . 1 29 29 PHE CB C 13 36.68 0.20 . 1 . . . . . 29 PHE CB . 52359 1 114 . 1 . 1 29 29 PHE N N 15 113.07 0.20 . 1 . . . . . 29 PHE N . 52359 1 115 . 1 . 1 30 30 CYS H H 1 8.70 0.03 . 1 . . . . . 30 CYS H . 52359 1 116 . 1 . 1 30 30 CYS CA C 13 58.05 0.20 . 1 . . . . . 30 CYS CA . 52359 1 117 . 1 . 1 30 30 CYS CB C 13 23.21 0.20 . 1 . . . . . 30 CYS CB . 52359 1 118 . 1 . 1 30 30 CYS N N 15 118.63 0.20 . 1 . . . . . 30 CYS N . 52359 1 119 . 1 . 1 31 31 ARG H H 1 6.96 0.03 . 1 . . . . . 31 ARG H . 52359 1 120 . 1 . 1 31 31 ARG CA C 13 55.05 0.20 . 1 . . . . . 31 ARG CA . 52359 1 121 . 1 . 1 31 31 ARG CB C 13 26.43 0.20 . 1 . . . . . 31 ARG CB . 52359 1 122 . 1 . 1 31 31 ARG N N 15 119.95 0.20 . 1 . . . . . 31 ARG N . 52359 1 123 . 1 . 1 32 32 PHE H H 1 7.97 0.03 . 1 . . . . . 32 PHE H . 52359 1 124 . 1 . 1 32 32 PHE CA C 13 55.62 0.20 . 1 . . . . . 32 PHE CA . 52359 1 125 . 1 . 1 32 32 PHE CB C 13 37.24 0.20 . 1 . . . . . 32 PHE CB . 52359 1 126 . 1 . 1 32 32 PHE N N 15 116.09 0.20 . 1 . . . . . 32 PHE N . 52359 1 127 . 1 . 1 33 33 GLY H H 1 7.29 0.03 . 1 . . . . . 33 GLY H . 52359 1 128 . 1 . 1 33 33 GLY CA C 13 42.12 0.20 . 1 . . . . . 33 GLY CA . 52359 1 129 . 1 . 1 33 33 GLY N N 15 105.89 0.20 . 1 . . . . . 33 GLY N . 52359 1 130 . 1 . 1 34 34 ASP H H 1 7.84 0.03 . 1 . . . . . 34 ASP H . 52359 1 131 . 1 . 1 34 34 ASP CA C 13 52.62 0.20 . 1 . . . . . 34 ASP CA . 52359 1 132 . 1 . 1 34 34 ASP CB C 13 38.33 0.20 . 1 . . . . . 34 ASP CB . 52359 1 133 . 1 . 1 34 34 ASP N N 15 116.08 0.20 . 1 . . . . . 34 ASP N . 52359 1 134 . 1 . 1 35 35 ILE H H 1 8.73 0.03 . 1 . . . . . 35 ILE H . 52359 1 135 . 1 . 1 35 35 ILE CA C 13 57.30 0.20 . 1 . . . . . 35 ILE CA . 52359 1 136 . 1 . 1 35 35 ILE CB C 13 37.46 0.20 . 1 . . . . . 35 ILE CB . 52359 1 137 . 1 . 1 35 35 ILE N N 15 125.05 0.20 . 1 . . . . . 35 ILE N . 52359 1 138 . 1 . 1 36 36 ILE H H 1 8.65 0.03 . 1 . . . . . 36 ILE H . 52359 1 139 . 1 . 1 36 36 ILE CA C 13 58.16 0.20 . 1 . . . . . 36 ILE CA . 52359 1 140 . 1 . 1 36 36 ILE CB C 13 36.61 0.20 . 1 . . . . . 36 ILE CB . 52359 1 141 . 1 . 1 36 36 ILE N N 15 121.48 0.20 . 1 . . . . . 36 ILE N . 52359 1 142 . 1 . 1 37 37 ASP H H 1 7.27 0.03 . 1 . . . . . 37 ASP H . 52359 1 143 . 1 . 1 37 37 ASP CA C 13 51.74 0.20 . 1 . . . . . 37 ASP CA . 52359 1 144 . 1 . 1 37 37 ASP CB C 13 41.41 0.20 . 1 . . . . . 37 ASP CB . 52359 1 145 . 1 . 1 37 37 ASP N N 15 118.22 0.20 . 1 . . . . . 37 ASP N . 52359 1 146 . 1 . 1 38 38 CYS H H 1 8.13 0.03 . 1 . . . . . 38 CYS H . 52359 1 147 . 1 . 1 38 38 CYS CA C 13 55.41 0.20 . 1 . . . . . 38 CYS CA . 52359 1 148 . 1 . 1 38 38 CYS CB C 13 25.42 0.20 . 1 . . . . . 38 CYS CB . 52359 1 149 . 1 . 1 38 38 CYS N N 15 122.99 0.20 . 1 . . . . . 38 CYS N . 52359 1 150 . 1 . 1 39 39 VAL H H 1 8.70 0.03 . 1 . . . . . 39 VAL H . 52359 1 151 . 1 . 1 39 39 VAL CA C 13 57.37 0.20 . 1 . . . . . 39 VAL CA . 52359 1 152 . 1 . 1 39 39 VAL CB C 13 33.70 0.20 . 1 . . . . . 39 VAL CB . 52359 1 153 . 1 . 1 39 39 VAL N N 15 125.28 0.20 . 1 . . . . . 39 VAL N . 52359 1 154 . 1 . 1 40 40 VAL H H 1 8.20 0.03 . 1 . . . . . 40 VAL H . 52359 1 155 . 1 . 1 40 40 VAL CA C 13 59.41 0.20 . 1 . . . . . 40 VAL CA . 52359 1 156 . 1 . 1 40 40 VAL CB C 13 31.43 0.20 . 1 . . . . . 40 VAL CB . 52359 1 157 . 1 . 1 40 40 VAL N N 15 123.71 0.20 . 1 . . . . . 40 VAL N . 52359 1 158 . 1 . 1 41 41 MET H H 1 8.31 0.03 . 1 . . . . . 41 MET H . 52359 1 159 . 1 . 1 41 41 MET CA C 13 51.83 0.20 . 1 . . . . . 41 MET CA . 52359 1 160 . 1 . 1 41 41 MET CB C 13 28.39 0.20 . 1 . . . . . 41 MET CB . 52359 1 161 . 1 . 1 41 41 MET N N 15 126.22 0.20 . 1 . . . . . 41 MET N . 52359 1 162 . 1 . 1 45 45 GLU H H 1 8.42 0.03 . 1 . . . . . 45 GLU H . 52359 1 163 . 1 . 1 45 45 GLU CA C 13 55.62 0.20 . 1 . . . . . 45 GLU CA . 52359 1 164 . 1 . 1 45 45 GLU CB C 13 27.17 0.20 . 1 . . . . . 45 GLU CB . 52359 1 165 . 1 . 1 45 45 GLU N N 15 119.07 0.20 . 1 . . . . . 45 GLU N . 52359 1 166 . 1 . 1 46 46 SER H H 1 8.01 0.03 . 1 . . . . . 46 SER H . 52359 1 167 . 1 . 1 46 46 SER CA C 13 55.48 0.20 . 1 . . . . . 46 SER CA . 52359 1 168 . 1 . 1 46 46 SER CB C 13 62.32 0.20 . 1 . . . . . 46 SER CB . 52359 1 169 . 1 . 1 46 46 SER N N 15 112.75 0.20 . 1 . . . . . 46 SER N . 52359 1 170 . 1 . 1 47 47 GLY H H 1 8.24 0.03 . 1 . . . . . 47 GLY H . 52359 1 171 . 1 . 1 47 47 GLY CA C 13 43.00 0.20 . 1 . . . . . 47 GLY CA . 52359 1 172 . 1 . 1 47 47 GLY N N 15 111.61 0.20 . 1 . . . . . 47 GLY N . 52359 1 173 . 1 . 1 48 48 ARG H H 1 7.78 0.03 . 1 . . . . . 48 ARG H . 52359 1 174 . 1 . 1 48 48 ARG CA C 13 52.84 0.20 . 1 . . . . . 48 ARG CA . 52359 1 175 . 1 . 1 48 48 ARG CB C 13 28.70 0.20 . 1 . . . . . 48 ARG CB . 52359 1 176 . 1 . 1 48 48 ARG N N 15 119.51 0.20 . 1 . . . . . 48 ARG N . 52359 1 177 . 1 . 1 49 49 SER H H 1 8.66 0.03 . 1 . . . . . 49 SER H . 52359 1 178 . 1 . 1 49 49 SER CA C 13 55.66 0.20 . 1 . . . . . 49 SER CA . 52359 1 179 . 1 . 1 49 49 SER CB C 13 61.38 0.20 . 1 . . . . . 49 SER CB . 52359 1 180 . 1 . 1 49 49 SER N N 15 116.49 0.20 . 1 . . . . . 49 SER N . 52359 1 181 . 1 . 1 50 50 ARG H H 1 8.88 0.03 . 1 . . . . . 50 ARG H . 52359 1 182 . 1 . 1 50 50 ARG CA C 13 53.69 0.20 . 1 . . . . . 50 ARG CA . 52359 1 183 . 1 . 1 50 50 ARG CB C 13 29.00 0.20 . 1 . . . . . 50 ARG CB . 52359 1 184 . 1 . 1 50 50 ARG N N 15 123.30 0.20 . 1 . . . . . 50 ARG N . 52359 1 185 . 1 . 1 51 51 GLY H H 1 9.21 0.03 . 1 . . . . . 51 GLY H . 52359 1 186 . 1 . 1 51 51 GLY CA C 13 42.72 0.20 . 1 . . . . . 51 GLY CA . 52359 1 187 . 1 . 1 51 51 GLY N N 15 107.85 0.20 . 1 . . . . . 51 GLY N . 52359 1 188 . 1 . 1 52 52 PHE H H 1 7.25 0.03 . 1 . . . . . 52 PHE H . 52359 1 189 . 1 . 1 52 52 PHE CA C 13 52.16 0.20 . 1 . . . . . 52 PHE CA . 52359 1 190 . 1 . 1 52 52 PHE CB C 13 38.94 0.20 . 1 . . . . . 52 PHE CB . 52359 1 191 . 1 . 1 52 52 PHE N N 15 112.95 0.20 . 1 . . . . . 52 PHE N . 52359 1 192 . 1 . 1 53 53 GLY H H 1 8.26 0.03 . 1 . . . . . 53 GLY H . 52359 1 193 . 1 . 1 53 53 GLY CA C 13 42.47 0.20 . 1 . . . . . 53 GLY CA . 52359 1 194 . 1 . 1 53 53 GLY N N 15 106.37 0.20 . 1 . . . . . 53 GLY N . 52359 1 195 . 1 . 1 54 54 PHE H H 1 8.70 0.03 . 1 . . . . . 54 PHE H . 52359 1 196 . 1 . 1 54 54 PHE CA C 13 53.66 0.20 . 1 . . . . . 54 PHE CA . 52359 1 197 . 1 . 1 54 54 PHE CB C 13 41.20 0.20 . 1 . . . . . 54 PHE CB . 52359 1 198 . 1 . 1 54 54 PHE N N 15 113.94 0.20 . 1 . . . . . 54 PHE N . 52359 1 199 . 1 . 1 55 55 VAL H H 1 8.70 0.03 . 1 . . . . . 55 VAL H . 52359 1 200 . 1 . 1 55 55 VAL CA C 13 57.76 0.20 . 1 . . . . . 55 VAL CA . 52359 1 201 . 1 . 1 55 55 VAL CB C 13 32.89 0.20 . 1 . . . . . 55 VAL CB . 52359 1 202 . 1 . 1 55 55 VAL N N 15 120.36 0.20 . 1 . . . . . 55 VAL N . 52359 1 203 . 1 . 1 56 56 THR H H 1 8.49 0.03 . 1 . . . . . 56 THR H . 52359 1 204 . 1 . 1 56 56 THR CA C 13 58.23 0.20 . 1 . . . . . 56 THR CA . 52359 1 205 . 1 . 1 56 56 THR CB C 13 66.82 0.20 . 1 . . . . . 56 THR CB . 52359 1 206 . 1 . 1 56 56 THR N N 15 121.18 0.20 . 1 . . . . . 56 THR N . 52359 1 207 . 1 . 1 57 57 PHE H H 1 8.89 0.03 . 1 . . . . . 57 PHE H . 52359 1 208 . 1 . 1 57 57 PHE CA C 13 55.67 0.20 . 1 . . . . . 57 PHE CA . 52359 1 209 . 1 . 1 57 57 PHE CB C 13 38.61 0.20 . 1 . . . . . 57 PHE CB . 52359 1 210 . 1 . 1 57 57 PHE N N 15 127.06 0.20 . 1 . . . . . 57 PHE N . 52359 1 211 . 1 . 1 58 58 ALA H H 1 8.07 0.03 . 1 . . . . . 58 ALA H . 52359 1 212 . 1 . 1 58 58 ALA CA C 13 51.66 0.20 . 1 . . . . . 58 ALA CA . 52359 1 213 . 1 . 1 58 58 ALA CB C 13 16.27 0.20 . 1 . . . . . 58 ALA CB . 52359 1 214 . 1 . 1 58 58 ALA N N 15 122.49 0.20 . 1 . . . . . 58 ALA N . 52359 1 215 . 1 . 1 59 59 ASP H H 1 8.57 0.03 . 1 . . . . . 59 ASP H . 52359 1 216 . 1 . 1 59 59 ASP CA C 13 46.49 0.20 . 1 . . . . . 59 ASP CA . 52359 1 217 . 1 . 1 59 59 ASP CB C 13 38.99 0.20 . 1 . . . . . 59 ASP CB . 52359 1 218 . 1 . 1 59 59 ASP N N 15 115.83 0.20 . 1 . . . . . 59 ASP N . 52359 1 219 . 1 . 1 60 60 PRO CA C 13 62.15 0.20 . 1 . . . . . 60 PRO CA . 52359 1 220 . 1 . 1 60 60 PRO CB C 13 29.77 0.20 . 1 . . . . . 60 PRO CB . 52359 1 221 . 1 . 1 61 61 THR H H 1 8.40 0.03 . 1 . . . . . 61 THR H . 52359 1 222 . 1 . 1 61 61 THR CA C 13 62.15 0.20 . 1 . . . . . 61 THR CA . 52359 1 223 . 1 . 1 61 61 THR CB C 13 66.06 0.20 . 1 . . . . . 61 THR CB . 52359 1 224 . 1 . 1 61 61 THR N N 15 112.90 0.20 . 1 . . . . . 61 THR N . 52359 1 225 . 1 . 1 62 62 ASN H H 1 7.95 0.03 . 1 . . . . . 62 ASN H . 52359 1 226 . 1 . 1 62 62 ASN CA C 13 52.41 0.20 . 1 . . . . . 62 ASN CA . 52359 1 227 . 1 . 1 62 62 ASN CB C 13 35.05 0.20 . 1 . . . . . 62 ASN CB . 52359 1 228 . 1 . 1 62 62 ASN N N 15 117.93 0.20 . 1 . . . . . 62 ASN N . 52359 1 229 . 1 . 1 63 63 VAL H H 1 7.29 0.03 . 1 . . . . . 63 VAL H . 52359 1 230 . 1 . 1 63 63 VAL CA C 13 64.75 0.20 . 1 . . . . . 63 VAL CA . 52359 1 231 . 1 . 1 63 63 VAL CB C 13 28.88 0.20 . 1 . . . . . 63 VAL CB . 52359 1 232 . 1 . 1 63 63 VAL N N 15 119.42 0.20 . 1 . . . . . 63 VAL N . 52359 1 233 . 1 . 1 64 64 ASN H H 1 7.34 0.03 . 1 . . . . . 64 ASN H . 52359 1 234 . 1 . 1 64 64 ASN CA C 13 53.75 0.20 . 1 . . . . . 64 ASN CA . 52359 1 235 . 1 . 1 64 64 ASN CB C 13 35.03 0.20 . 1 . . . . . 64 ASN CB . 52359 1 236 . 1 . 1 64 64 ASN N N 15 115.99 0.20 . 1 . . . . . 64 ASN N . 52359 1 237 . 1 . 1 65 65 HIS H H 1 7.09 0.03 . 1 . . . . . 65 HIS H . 52359 1 238 . 1 . 1 65 65 HIS CA C 13 55.52 0.20 . 1 . . . . . 65 HIS CA . 52359 1 239 . 1 . 1 65 65 HIS CB C 13 27.32 0.20 . 1 . . . . . 65 HIS CB . 52359 1 240 . 1 . 1 65 65 HIS N N 15 116.69 0.20 . 1 . . . . . 65 HIS N . 52359 1 241 . 1 . 1 66 66 VAL H H 1 7.54 0.03 . 1 . . . . . 66 VAL H . 52359 1 242 . 1 . 1 66 66 VAL CA C 13 64.22 0.20 . 1 . . . . . 66 VAL CA . 52359 1 243 . 1 . 1 66 66 VAL CB C 13 28.54 0.20 . 1 . . . . . 66 VAL CB . 52359 1 244 . 1 . 1 66 66 VAL N N 15 118.47 0.20 . 1 . . . . . 66 VAL N . 52359 1 245 . 1 . 1 67 67 LEU H H 1 7.72 0.03 . 1 . . . . . 67 LEU H . 52359 1 246 . 1 . 1 67 67 LEU CA C 13 54.58 0.20 . 1 . . . . . 67 LEU CA . 52359 1 247 . 1 . 1 67 67 LEU CB C 13 38.04 0.20 . 1 . . . . . 67 LEU CB . 52359 1 248 . 1 . 1 67 67 LEU N N 15 118.74 0.20 . 1 . . . . . 67 LEU N . 52359 1 249 . 1 . 1 68 68 GLN H H 1 7.75 0.03 . 1 . . . . . 68 GLN H . 52359 1 250 . 1 . 1 68 68 GLN CA C 13 53.71 0.20 . 1 . . . . . 68 GLN CA . 52359 1 251 . 1 . 1 68 68 GLN CB C 13 26.64 0.20 . 1 . . . . . 68 GLN CB . 52359 1 252 . 1 . 1 68 68 GLN N N 15 115.36 0.20 . 1 . . . . . 68 GLN N . 52359 1 253 . 1 . 1 69 69 ASN H H 1 7.33 0.03 . 1 . . . . . 69 ASN H . 52359 1 254 . 1 . 1 69 69 ASN CA C 13 50.70 0.20 . 1 . . . . . 69 ASN CA . 52359 1 255 . 1 . 1 69 69 ASN CB C 13 37.51 0.20 . 1 . . . . . 69 ASN CB . 52359 1 256 . 1 . 1 69 69 ASN N N 15 117.93 0.20 . 1 . . . . . 69 ASN N . 52359 1 257 . 1 . 1 70 70 GLY H H 1 7.80 0.03 . 1 . . . . . 70 GLY H . 52359 1 258 . 1 . 1 70 70 GLY CA C 13 41.18 0.20 . 1 . . . . . 70 GLY CA . 52359 1 259 . 1 . 1 70 70 GLY N N 15 106.29 0.20 . 1 . . . . . 70 GLY N . 52359 1 260 . 1 . 1 71 71 PRO CA C 13 59.15 0.20 . 1 . . . . . 71 PRO CA . 52359 1 261 . 1 . 1 71 71 PRO CB C 13 32.58 0.20 . 1 . . . . . 71 PRO CB . 52359 1 262 . 1 . 1 72 72 HIS H H 1 9.39 0.03 . 1 . . . . . 72 HIS H . 52359 1 263 . 1 . 1 72 72 HIS CA C 13 53.39 0.20 . 1 . . . . . 72 HIS CA . 52359 1 264 . 1 . 1 72 72 HIS CB C 13 30.07 0.20 . 1 . . . . . 72 HIS CB . 52359 1 265 . 1 . 1 72 72 HIS N N 15 122.29 0.20 . 1 . . . . . 72 HIS N . 52359 1 266 . 1 . 1 73 73 THR H H 1 8.13 0.03 . 1 . . . . . 73 THR H . 52359 1 267 . 1 . 1 73 73 THR CA C 13 57.36 0.20 . 1 . . . . . 73 THR CA . 52359 1 268 . 1 . 1 73 73 THR CB C 13 67.73 0.20 . 1 . . . . . 73 THR CB . 52359 1 269 . 1 . 1 73 73 THR N N 15 118.30 0.20 . 1 . . . . . 73 THR N . 52359 1 270 . 1 . 1 74 74 LEU H H 1 8.61 0.03 . 1 . . . . . 74 LEU H . 52359 1 271 . 1 . 1 74 74 LEU CA C 13 51.55 0.20 . 1 . . . . . 74 LEU CA . 52359 1 272 . 1 . 1 74 74 LEU CB C 13 42.35 0.20 . 1 . . . . . 74 LEU CB . 52359 1 273 . 1 . 1 74 74 LEU N N 15 124.60 0.20 . 1 . . . . . 74 LEU N . 52359 1 274 . 1 . 1 75 75 ASP H H 1 9.44 0.03 . 1 . . . . . 75 ASP H . 52359 1 275 . 1 . 1 75 75 ASP CA C 13 52.93 0.20 . 1 . . . . . 75 ASP CA . 52359 1 276 . 1 . 1 75 75 ASP CB C 13 36.68 0.20 . 1 . . . . . 75 ASP CB . 52359 1 277 . 1 . 1 75 75 ASP N N 15 128.46 0.20 . 1 . . . . . 75 ASP N . 52359 1 278 . 1 . 1 76 76 GLY H H 1 8.43 0.03 . 1 . . . . . 76 GLY H . 52359 1 279 . 1 . 1 76 76 GLY CA C 13 42.56 0.20 . 1 . . . . . 76 GLY CA . 52359 1 280 . 1 . 1 76 76 GLY N N 15 128.89 0.20 . 1 . . . . . 76 GLY N . 52359 1 281 . 1 . 1 77 77 ARG H H 1 7.44 0.03 . 1 . . . . . 77 ARG H . 52359 1 282 . 1 . 1 77 77 ARG CA C 13 50.14 0.20 . 1 . . . . . 77 ARG CA . 52359 1 283 . 1 . 1 77 77 ARG CB C 13 29.84 0.20 . 1 . . . . . 77 ARG CB . 52359 1 284 . 1 . 1 77 77 ARG N N 15 118.66 0.20 . 1 . . . . . 77 ARG N . 52359 1 285 . 1 . 1 78 78 THR H H 1 8.61 0.03 . 1 . . . . . 78 THR H . 52359 1 286 . 1 . 1 78 78 THR CA C 13 60.01 0.20 . 1 . . . . . 78 THR CA . 52359 1 287 . 1 . 1 78 78 THR CB C 13 65.89 0.20 . 1 . . . . . 78 THR CB . 52359 1 288 . 1 . 1 78 78 THR N N 15 119.49 0.20 . 1 . . . . . 78 THR N . 52359 1 289 . 1 . 1 79 79 ILE H H 1 8.20 0.03 . 1 . . . . . 79 ILE H . 52359 1 290 . 1 . 1 79 79 ILE CA C 13 58.15 0.20 . 1 . . . . . 79 ILE CA . 52359 1 291 . 1 . 1 79 79 ILE CB C 13 36.55 0.20 . 1 . . . . . 79 ILE CB . 52359 1 292 . 1 . 1 79 79 ILE N N 15 122.85 0.20 . 1 . . . . . 79 ILE N . 52359 1 293 . 1 . 1 80 80 ASP H H 1 8.40 0.03 . 1 . . . . . 80 ASP H . 52359 1 294 . 1 . 1 80 80 ASP CA C 13 48.46 0.20 . 1 . . . . . 80 ASP CA . 52359 1 295 . 1 . 1 80 80 ASP CB C 13 39.67 0.20 . 1 . . . . . 80 ASP CB . 52359 1 296 . 1 . 1 80 80 ASP N N 15 118.68 0.20 . 1 . . . . . 80 ASP N . 52359 1 297 . 1 . 1 81 81 PRO CA C 13 58.30 0.20 . 1 . . . . . 81 PRO CA . 52359 1 298 . 1 . 1 81 81 PRO CB C 13 29.85 0.20 . 1 . . . . . 81 PRO CB . 52359 1 299 . 1 . 1 82 82 LYS H H 1 9.54 0.03 . 1 . . . . . 82 LYS H . 52359 1 300 . 1 . 1 82 82 LYS CA C 13 50.81 0.20 . 1 . . . . . 82 LYS CA . 52359 1 301 . 1 . 1 82 82 LYS CB C 13 32.58 0.20 . 1 . . . . . 82 LYS CB . 52359 1 302 . 1 . 1 82 82 LYS N N 15 121.93 0.20 . 1 . . . . . 82 LYS N . 52359 1 303 . 1 . 1 83 83 PRO CA C 13 60.53 0.20 . 1 . . . . . 83 PRO CA . 52359 1 304 . 1 . 1 83 83 PRO CB C 13 29.30 0.20 . 1 . . . . . 83 PRO CB . 52359 1 305 . 1 . 1 84 84 CYS H H 1 8.33 0.03 . 1 . . . . . 84 CYS H . 52359 1 306 . 1 . 1 84 84 CYS CA C 13 57.48 0.20 . 1 . . . . . 84 CYS CA . 52359 1 307 . 1 . 1 84 84 CYS CB C 13 25.72 0.20 . 1 . . . . . 84 CYS CB . 52359 1 308 . 1 . 1 84 84 CYS N N 15 120.09 0.20 . 1 . . . . . 84 CYS N . 52359 1 309 . 1 . 1 85 85 ASN H H 1 8.56 0.03 . 1 . . . . . 85 ASN H . 52359 1 310 . 1 . 1 85 85 ASN CA C 13 48.20 0.20 . 1 . . . . . 85 ASN CA . 52359 1 311 . 1 . 1 85 85 ASN CB C 13 36.40 0.20 . 1 . . . . . 85 ASN CB . 52359 1 312 . 1 . 1 85 85 ASN N N 15 120.48 0.20 . 1 . . . . . 85 ASN N . 52359 1 313 . 1 . 1 86 86 PRO CA C 13 60.03 0.20 . 1 . . . . . 86 PRO CA . 52359 1 314 . 1 . 1 86 86 PRO CB C 13 31.91 0.20 . 1 . . . . . 86 PRO CB . 52359 1 315 . 1 . 1 87 87 ARG H H 1 8.29 0.03 . 1 . . . . . 87 ARG H . 52359 1 316 . 1 . 1 87 87 ARG CA C 13 53.77 0.20 . 1 . . . . . 87 ARG CA . 52359 1 317 . 1 . 1 87 87 ARG CB C 13 27.55 0.20 . 1 . . . . . 87 ARG CB . 52359 1 318 . 1 . 1 87 87 ARG N N 15 119.50 0.20 . 1 . . . . . 87 ARG N . 52359 1 319 . 1 . 1 88 88 THR H H 1 7.93 0.03 . 1 . . . . . 88 THR H . 52359 1 320 . 1 . 1 88 88 THR CA C 13 59.41 0.20 . 1 . . . . . 88 THR CA . 52359 1 321 . 1 . 1 88 88 THR CB C 13 66.95 0.20 . 1 . . . . . 88 THR CB . 52359 1 322 . 1 . 1 88 88 THR N N 15 114.44 0.20 . 1 . . . . . 88 THR N . 52359 1 323 . 1 . 1 89 89 LEU H H 1 8.20 0.03 . 1 . . . . . 89 LEU H . 52359 1 324 . 1 . 1 89 89 LEU CA C 13 52.34 0.20 . 1 . . . . . 89 LEU CA . 52359 1 325 . 1 . 1 89 89 LEU CB C 13 39.50 0.20 . 1 . . . . . 89 LEU CB . 52359 1 326 . 1 . 1 89 89 LEU N N 15 125.08 0.20 . 1 . . . . . 89 LEU N . 52359 1 327 . 1 . 1 90 90 GLN H H 1 7.72 0.03 . 1 . . . . . 90 GLN H . 52359 1 328 . 1 . 1 90 90 GLN CA C 13 54.48 0.20 . 1 . . . . . 90 GLN CA . 52359 1 329 . 1 . 1 90 90 GLN CB C 13 27.82 0.20 . 1 . . . . . 90 GLN CB . 52359 1 330 . 1 . 1 90 90 GLN N N 15 125.49 0.20 . 1 . . . . . 90 GLN N . 52359 1 stop_ save_