data_52516 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52516 _Entry.Title ; Chemical Shift Assignments for Small Hydrophobic (SH) protein residues 39-57 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-20 _Entry.Accession_date 2024-06-20 _Entry.Last_release_date 2024-06-20 _Entry.Original_release_date 2024-06-20 _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 'Mumps virus small hydrophobic peptide residues 39-57' _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 Kira Devantier . . . 0009-0002-4200-4707 52516 2 Birthe Kragelund . B. . . 52516 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52516 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 36 52516 '15N chemical shifts' 19 52516 '1H chemical shifts' 78 52516 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 . . 2026-02-23 . original BMRB . 52516 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52513 'Chemical Shift Assignments for Small Hydrophobic (SH) protein in TFE' 52516 BMRB 52514 'Chemical Shift Assignments for Small Hydrophobic (SH) protein residues 1-34 in DHPC' 52516 BMRB 52515 'Chemical Shift Assignments for Small Hydrophobic (SH) protein residues 2-12' 52516 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52516 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40479045 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The SH protein of mumps virus is a druggable pentameric viroporin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science advances' _Citation.Journal_volume 11 _Citation.Journal_issue 23 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 eads3071 _Citation.Page_last eads3071 _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 Kira Devantier K. . . . 52516 1 2 Trine Toft-Bertelsen T. L. . . 52516 1 3 Andreas Prestel A. . . . 52516 1 4 Viktoria Kjar . . . . 52516 1 5 Cagla Sahin C. . . . 52516 1 6 Marco Giulini M. . . . 52516 1 7 Stavroula Louka S. . . . 52516 1 8 Katja Spiess K. . . . 52516 1 9 Asmita Manandhar A. . . . 52516 1 10 Katrine Qvortrup K. . . . 52516 1 11 Trond Ulven T. . . . 52516 1 12 Bo Bentzen B. H. . . 52516 1 13 'Alexandre Mjj' Bonvin A. M. . . 52516 1 14 Nanna MacAulay N. . . . 52516 1 15 Birthe Kragelund B. B. . . 52516 1 16 Mette Rosenkilde M. M. . . 52516 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52516 _Assembly.ID 1 _Assembly.Name 'Small hydrophobic protein' _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 'small hydrophobic protein' 1 $entity_1 . . yes native no no . . . 52516 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52516 _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 ; RHAALYQRSFFHWSFDHSL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '39 to 57' _Entity.Polymer_author_seq_details 'Residues 39-57 of mumps small hydrophobic (SH) protein genotype G' _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 19 _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 . ARG . 52516 1 2 . HIS . 52516 1 3 . ALA . 52516 1 4 . ALA . 52516 1 5 . LEU . 52516 1 6 . TYR . 52516 1 7 . GLN . 52516 1 8 . ARG . 52516 1 9 . SER . 52516 1 10 . PHE . 52516 1 11 . PHE . 52516 1 12 . HIS . 52516 1 13 . TRP . 52516 1 14 . SER . 52516 1 15 . PHE . 52516 1 16 . ASP . 52516 1 17 . HIS . 52516 1 18 . SER . 52516 1 19 . LEU . 52516 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 . ARG 1 1 52516 1 . HIS 2 2 52516 1 . ALA 3 3 52516 1 . ALA 4 4 52516 1 . LEU 5 5 52516 1 . TYR 6 6 52516 1 . GLN 7 7 52516 1 . ARG 8 8 52516 1 . SER 9 9 52516 1 . PHE 10 10 52516 1 . PHE 11 11 52516 1 . HIS 12 12 52516 1 . TRP 13 13 52516 1 . SER 14 14 52516 1 . PHE 15 15 52516 1 . ASP 16 16 52516 1 . HIS 17 17 52516 1 . SER 18 18 52516 1 . LEU 19 19 52516 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 52516 _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 . 2560602 virus . 'Mumps virus' 'Mumps orthorubulavirus' . . Viruses . Mumps orthorubulavirus . . . . . . . . . . . SH . 52516 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 52516 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 52516 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52516 _Sample.ID 1 _Sample.Name 'Small hydrophobic protein 39-57' _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 'Small hydrophobic protein' 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 52516 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 52516 1 3 DSS 'natural abundance' . . . . . . 25 . . uM . . . . 52516 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 52516 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Small hydrophobic protein MiliQ' _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 . M 52516 1 pH 6 . pH 52516 1 pressure 1 . atm 52516 1 temperature 283 . K 52516 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52516 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52516 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 52516 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 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 52516 _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 . . . . . . . . . . . . . . . . . 52516 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52516 1 3 '2D 1H-1H TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52516 1 4 '2D 1H-1H ROESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52516 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 52516 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'chem_shift_Small hydrophobic protein' _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 . . . . . 52516 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52516 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52516 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 52516 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Small hydrophobic protein 1-34 in DHPC' _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' . . . 52516 1 2 '2D 1H-13C HSQC' . . . 52516 1 3 '2D 1H-1H TOCSY' . . . 52516 1 4 '2D 1H-1H ROESY' . . . 52516 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 . . 52516 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 ARG H H 1 8.194 0.000 . 1 . . . . . 1 ARG H . 52516 1 2 . 1 . 1 1 1 ARG HA H 1 4.200 0.000 . 1 . . . . . 1 ARG HA . 52516 1 3 . 1 . 1 1 1 ARG HB2 H 1 1.677 0.001 . 1 . . . . . 1 ARG HB2 . 52516 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.569 0.005 . 1 . . . . . 1 ARG HG2 . 52516 1 5 . 1 . 1 1 1 ARG HD2 H 1 3.154 0.005 . 1 . . . . . 1 ARG HD2 . 52516 1 6 . 1 . 1 1 1 ARG CB C 13 30.725 0.000 . 1 . . . . . 1 ARG CB . 52516 1 7 . 1 . 1 1 1 ARG CG C 13 27.187 0.000 . 1 . . . . . 1 ARG CG . 52516 1 8 . 1 . 1 1 1 ARG CD C 13 43.393 0.000 . 1 . . . . . 1 ARG CD . 52516 1 9 . 1 . 1 1 1 ARG N N 15 126.237 0.000 . 1 . . . . . 1 ARG N . 52516 1 10 . 1 . 1 2 2 HIS H H 1 8.493 0.002 . 1 . . . . . 2 HIS H . 52516 1 11 . 1 . 1 2 2 HIS HA H 1 4.689 0.001 . 1 . . . . . 2 HIS HA . 52516 1 12 . 1 . 1 2 2 HIS HB2 H 1 3.145 0.005 . 2 . . . . . 2 HIS HB2 . 52516 1 13 . 1 . 1 2 2 HIS HB3 H 1 3.259 0.002 . 2 . . . . . 2 HIS HB3 . 52516 1 14 . 1 . 1 2 2 HIS CA C 13 55.084 0.000 . 1 . . . . . 2 HIS CA . 52516 1 15 . 1 . 1 2 2 HIS CB C 13 29.080 0.005 . 1 . . . . . 2 HIS CB . 52516 1 16 . 1 . 1 2 2 HIS N N 15 119.589 0.000 . 1 . . . . . 2 HIS N . 52516 1 17 . 1 . 1 3 3 ALA H H 1 8.242 0.002 . 1 . . . . . 3 ALA H . 52516 1 18 . 1 . 1 3 3 ALA HA H 1 4.276 0.001 . 1 . . . . . 3 ALA HA . 52516 1 19 . 1 . 1 3 3 ALA HB1 H 1 1.368 0.003 . 1 . . . . . 3 ALA HB1 . 52516 1 20 . 1 . 1 3 3 ALA HB2 H 1 1.368 0.003 . 1 . . . . . 3 ALA HB2 . 52516 1 21 . 1 . 1 3 3 ALA HB3 H 1 1.368 0.003 . 1 . . . . . 3 ALA HB3 . 52516 1 22 . 1 . 1 3 3 ALA CA C 13 52.624 0.000 . 1 . . . . . 3 ALA CA . 52516 1 23 . 1 . 1 3 3 ALA CB C 13 19.415 0.000 . 1 . . . . . 3 ALA CB . 52516 1 24 . 1 . 1 3 3 ALA N N 15 125.151 0.000 . 1 . . . . . 3 ALA N . 52516 1 25 . 1 . 1 4 4 ALA H H 1 8.233 0.001 . 1 . . . . . 4 ALA H . 52516 1 26 . 1 . 1 4 4 ALA HB1 H 1 1.328 0.002 . 1 . . . . . 4 ALA HB1 . 52516 1 27 . 1 . 1 4 4 ALA HB2 H 1 1.328 0.002 . 1 . . . . . 4 ALA HB2 . 52516 1 28 . 1 . 1 4 4 ALA HB3 H 1 1.328 0.002 . 1 . . . . . 4 ALA HB3 . 52516 1 29 . 1 . 1 4 4 ALA CB C 13 19.163 0.000 . 1 . . . . . 4 ALA CB . 52516 1 30 . 1 . 1 4 4 ALA N N 15 123.431 0.000 . 1 . . . . . 4 ALA N . 52516 1 31 . 1 . 1 5 5 LEU H H 1 8.009 0.001 . 1 . . . . . 5 LEU H . 52516 1 32 . 1 . 1 5 5 LEU HA H 1 4.230 0.000 . 1 . . . . . 5 LEU HA . 52516 1 33 . 1 . 1 5 5 LEU HB2 H 1 1.420 0.001 . 2 . . . . . 5 LEU HB2 . 52516 1 34 . 1 . 1 5 5 LEU HB3 H 1 1.512 0.000 . 2 . . . . . 5 LEU HB3 . 52516 1 35 . 1 . 1 5 5 LEU HD11 H 1 0.838 0.001 . 1 . . . . . 5 LEU HD11 . 52516 1 36 . 1 . 1 5 5 LEU HD12 H 1 0.838 0.001 . 1 . . . . . 5 LEU HD12 . 52516 1 37 . 1 . 1 5 5 LEU HD13 H 1 0.838 0.001 . 1 . . . . . 5 LEU HD13 . 52516 1 38 . 1 . 1 5 5 LEU CB C 13 42.491 0.001 . 1 . . . . . 5 LEU CB . 52516 1 39 . 1 . 1 5 5 LEU CD1 C 13 23.723 0.000 . 1 . . . . . 5 LEU CD1 . 52516 1 40 . 1 . 1 5 5 LEU N N 15 120.888 0.000 . 1 . . . . . 5 LEU N . 52516 1 41 . 1 . 1 6 6 TYR H H 1 7.957 0.001 . 1 . . . . . 6 TYR H . 52516 1 42 . 1 . 1 6 6 TYR HA H 1 4.537 0.001 . 1 . . . . . 6 TYR HA . 52516 1 43 . 1 . 1 6 6 TYR HB2 H 1 2.806 0.000 . 1 . . . . . 6 TYR HB2 . 52516 1 44 . 1 . 1 6 6 TYR CA C 13 57.776 0.000 . 1 . . . . . 6 TYR CA . 52516 1 45 . 1 . 1 6 6 TYR CB C 13 39.700 0.000 . 1 . . . . . 6 TYR CB . 52516 1 46 . 1 . 1 6 6 TYR N N 15 120.798 0.000 . 1 . . . . . 6 TYR N . 52516 1 47 . 1 . 1 7 7 GLN H H 1 8.065 0.001 . 1 . . . . . 7 GLN H . 52516 1 48 . 1 . 1 7 7 GLN HA H 1 4.250 0.002 . 1 . . . . . 7 GLN HA . 52516 1 49 . 1 . 1 7 7 GLN HB2 H 1 2.031 0.001 . 2 . . . . . 7 GLN HB2 . 52516 1 50 . 1 . 1 7 7 GLN HB3 H 1 1.905 0.002 . 2 . . . . . 7 GLN HB3 . 52516 1 51 . 1 . 1 7 7 GLN HG2 H 1 2.246 0.001 . 1 . . . . . 7 GLN HG2 . 52516 1 52 . 1 . 1 7 7 GLN CA C 13 55.798 0.000 . 1 . . . . . 7 GLN CA . 52516 1 53 . 1 . 1 7 7 GLN CB C 13 29.628 0.002 . 1 . . . . . 7 GLN CB . 52516 1 54 . 1 . 1 7 7 GLN CG C 13 33.820 0.000 . 1 . . . . . 7 GLN CG . 52516 1 55 . 1 . 1 7 7 GLN N N 15 121.860 0.000 . 1 . . . . . 7 GLN N . 52516 1 56 . 1 . 1 8 8 ARG H H 1 8.155 0.001 . 1 . . . . . 8 ARG H . 52516 1 57 . 1 . 1 8 8 ARG HA H 1 4.227 0.000 . 1 . . . . . 8 ARG HA . 52516 1 58 . 1 . 1 8 8 ARG HB2 H 1 1.713 0.002 . 2 . . . . . 8 ARG HB2 . 52516 1 59 . 1 . 1 8 8 ARG HB3 H 1 1.772 0.000 . 2 . . . . . 8 ARG HB3 . 52516 1 60 . 1 . 1 8 8 ARG CA C 13 55.569 0.000 . 1 . . . . . 8 ARG CA . 52516 1 61 . 1 . 1 8 8 ARG CB C 13 30.725 0.000 . 1 . . . . . 8 ARG CB . 52516 1 62 . 1 . 1 8 8 ARG N N 15 121.739 0.000 . 1 . . . . . 8 ARG N . 52516 1 63 . 1 . 1 9 9 SER H H 1 8.089 0.001 . 1 . . . . . 9 SER H . 52516 1 64 . 1 . 1 9 9 SER HA H 1 4.356 0.003 . 1 . . . . . 9 SER HA . 52516 1 65 . 1 . 1 9 9 SER HB2 H 1 3.734 0.005 . 1 . . . . . 9 SER HB2 . 52516 1 66 . 1 . 1 9 9 SER CA C 13 58.354 0.000 . 1 . . . . . 9 SER CA . 52516 1 67 . 1 . 1 9 9 SER CB C 13 63.903 0.000 . 1 . . . . . 9 SER CB . 52516 1 68 . 1 . 1 9 9 SER N N 15 115.968 0.000 . 1 . . . . . 9 SER N . 52516 1 69 . 1 . 1 10 10 PHE H H 1 8.043 0.002 . 1 . . . . . 10 PHE H . 52516 1 70 . 1 . 1 10 10 PHE HA H 1 4.512 0.000 . 1 . . . . . 10 PHE HA . 52516 1 71 . 1 . 1 10 10 PHE HB2 H 1 2.988 0.001 . 2 . . . . . 10 PHE HB2 . 52516 1 72 . 1 . 1 10 10 PHE HB3 H 1 2.877 0.002 . 2 . . . . . 10 PHE HB3 . 52516 1 73 . 1 . 1 10 10 PHE CB C 13 39.582 0.003 . 1 . . . . . 10 PHE CB . 52516 1 74 . 1 . 1 10 10 PHE N N 15 121.573 0.000 . 1 . . . . . 10 PHE N . 52516 1 75 . 1 . 1 11 11 PHE H H 1 7.955 0.003 . 1 . . . . . 11 PHE H . 52516 1 76 . 1 . 1 11 11 PHE HA H 1 4.436 0.000 . 1 . . . . . 11 PHE HA . 52516 1 77 . 1 . 1 11 11 PHE HB2 H 1 3.027 0.001 . 2 . . . . . 11 PHE HB2 . 52516 1 78 . 1 . 1 11 11 PHE HB3 H 1 2.936 0.001 . 2 . . . . . 11 PHE HB3 . 52516 1 79 . 1 . 1 11 11 PHE CA C 13 57.776 0.000 . 1 . . . . . 11 PHE CA . 52516 1 80 . 1 . 1 11 11 PHE CB C 13 38.667 0.000 . 1 . . . . . 11 PHE CB . 52516 1 81 . 1 . 1 11 11 PHE N N 15 120.046 0.000 . 1 . . . . . 11 PHE N . 52516 1 82 . 1 . 1 12 12 HIS H H 1 8.084 0.002 . 1 . . . . . 12 HIS H . 52516 1 83 . 1 . 1 12 12 HIS HA H 1 4.540 0.000 . 1 . . . . . 12 HIS HA . 52516 1 84 . 1 . 1 12 12 HIS HB2 H 1 3.005 0.001 . 2 . . . . . 12 HIS HB2 . 52516 1 85 . 1 . 1 12 12 HIS HB3 H 1 3.111 0.001 . 2 . . . . . 12 HIS HB3 . 52516 1 86 . 1 . 1 12 12 HIS CB C 13 28.949 0.000 . 1 . . . . . 12 HIS CB . 52516 1 87 . 1 . 1 12 12 HIS N N 15 120.204 0.000 . 1 . . . . . 12 HIS N . 52516 1 88 . 1 . 1 13 13 TRP H H 1 7.998 0.001 . 1 . . . . . 13 TRP H . 52516 1 89 . 1 . 1 13 13 TRP HA H 1 4.580 0.001 . 1 . . . . . 13 TRP HA . 52516 1 90 . 1 . 1 13 13 TRP HB2 H 1 3.129 0.000 . 1 . . . . . 13 TRP HB2 . 52516 1 91 . 1 . 1 13 13 TRP CA C 13 57.450 0.000 . 1 . . . . . 13 TRP CA . 52516 1 92 . 1 . 1 13 13 TRP CB C 13 30.014 0.000 . 1 . . . . . 13 TRP CB . 52516 1 93 . 1 . 1 13 13 TRP N N 15 122.584 0.000 . 1 . . . . . 13 TRP N . 52516 1 94 . 1 . 1 14 14 SER H H 1 8.014 0.002 . 1 . . . . . 14 SER H . 52516 1 95 . 1 . 1 14 14 SER HA H 1 4.311 0.002 . 1 . . . . . 14 SER HA . 52516 1 96 . 1 . 1 14 14 SER HB2 H 1 3.695 0.002 . 1 . . . . . 14 SER HB2 . 52516 1 97 . 1 . 1 14 14 SER CA C 13 58.289 0.000 . 1 . . . . . 14 SER CA . 52516 1 98 . 1 . 1 14 14 SER CB C 13 63.957 0.000 . 1 . . . . . 14 SER CB . 52516 1 99 . 1 . 1 14 14 SER N N 15 117.105 0.000 . 1 . . . . . 14 SER N . 52516 1 100 . 1 . 1 15 15 PHE H H 1 7.893 0.001 . 1 . . . . . 15 PHE H . 52516 1 101 . 1 . 1 15 15 PHE HA H 1 4.506 0.000 . 1 . . . . . 15 PHE HA . 52516 1 102 . 1 . 1 15 15 PHE HB2 H 1 2.940 0.001 . 2 . . . . . 15 PHE HB2 . 52516 1 103 . 1 . 1 15 15 PHE HB3 H 1 3.100 0.001 . 2 . . . . . 15 PHE HB3 . 52516 1 104 . 1 . 1 15 15 PHE CB C 13 39.326 0.001 . 1 . . . . . 15 PHE CB . 52516 1 105 . 1 . 1 15 15 PHE N N 15 121.002 0.000 . 1 . . . . . 15 PHE N . 52516 1 106 . 1 . 1 16 16 ASP H H 1 8.113 0.006 . 1 . . . . . 16 ASP H . 52516 1 107 . 1 . 1 16 16 ASP HA H 1 4.520 0.001 . 1 . . . . . 16 ASP HA . 52516 1 108 . 1 . 1 16 16 ASP HB2 H 1 2.621 0.002 . 1 . . . . . 16 ASP HB2 . 52516 1 109 . 1 . 1 16 16 ASP CA C 13 54.098 0.000 . 1 . . . . . 16 ASP CA . 52516 1 110 . 1 . 1 16 16 ASP CB C 13 40.589 0.000 . 1 . . . . . 16 ASP CB . 52516 1 111 . 1 . 1 16 16 ASP N N 15 120.205 0.000 . 1 . . . . . 16 ASP N . 52516 1 112 . 1 . 1 17 17 HIS H H 1 8.141 0.004 . 1 . . . . . 17 HIS H . 52516 1 113 . 1 . 1 17 17 HIS HA H 1 4.652 0.005 . 1 . . . . . 17 HIS HA . 52516 1 114 . 1 . 1 17 17 HIS HB2 H 1 3.107 0.001 . 2 . . . . . 17 HIS HB2 . 52516 1 115 . 1 . 1 17 17 HIS HB3 H 1 3.266 0.000 . 2 . . . . . 17 HIS HB3 . 52516 1 116 . 1 . 1 17 17 HIS CA C 13 55.343 0.000 . 1 . . . . . 17 HIS CA . 52516 1 117 . 1 . 1 17 17 HIS CB C 13 28.958 0.000 . 1 . . . . . 17 HIS CB . 52516 1 118 . 1 . 1 17 17 HIS N N 15 118.337 0.000 . 1 . . . . . 17 HIS N . 52516 1 119 . 1 . 1 18 18 SER H H 1 8.280 0.002 . 1 . . . . . 18 SER H . 52516 1 120 . 1 . 1 18 18 SER HA H 1 4.412 0.004 . 1 . . . . . 18 SER HA . 52516 1 121 . 1 . 1 18 18 SER HB2 H 1 3.850 0.001 . 1 . . . . . 18 SER HB2 . 52516 1 122 . 1 . 1 18 18 SER CA C 13 58.761 0.000 . 1 . . . . . 18 SER CA . 52516 1 123 . 1 . 1 18 18 SER CB C 13 64.019 0.000 . 1 . . . . . 18 SER CB . 52516 1 124 . 1 . 1 18 18 SER N N 15 117.239 0.000 . 1 . . . . . 18 SER N . 52516 1 125 . 1 . 1 19 19 LEU H H 1 7.872 0.005 . 1 . . . . . 19 LEU H . 52516 1 126 . 1 . 1 19 19 LEU HA H 1 4.229 0.000 . 1 . . . . . 19 LEU HA . 52516 1 127 . 1 . 1 19 19 LEU HB2 H 1 1.587 0.001 . 1 . . . . . 19 LEU HB2 . 52516 1 128 . 1 . 1 19 19 LEU HD11 H 1 0.865 0.003 . 1 . . . . . 19 LEU HD11 . 52516 1 129 . 1 . 1 19 19 LEU HD12 H 1 0.865 0.003 . 1 . . . . . 19 LEU HD12 . 52516 1 130 . 1 . 1 19 19 LEU HD13 H 1 0.865 0.003 . 1 . . . . . 19 LEU HD13 . 52516 1 131 . 1 . 1 19 19 LEU CB C 13 43.352 0.000 . 1 . . . . . 19 LEU CB . 52516 1 132 . 1 . 1 19 19 LEU CD1 C 13 24.772 0.000 . 1 . . . . . 19 LEU CD1 . 52516 1 133 . 1 . 1 19 19 LEU N N 15 128.780 0.000 . 1 . . . . . 19 LEU N . 52516 1 stop_ save_