data_16511 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16511 _Entry.Title ; A Doppel alpha-helix Peptide Fragment Mimics the Copper(II) Interactions with the whole Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-23 _Entry.Accession_date 2009-09-23 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Carla Isernia . . . 16511 2 Diego 'La Mendola' . . . 16511 3 Antonio Magri' . . . 16511 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16511 coupling_constants 1 16511 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 159 16511 'coupling constants' 17 16511 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 . . 2010-08-12 2009-09-23 update BMRB 'Complete entry citation' 16511 1 . . 2010-04-26 2009-09-23 original author 'original release' 16511 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16522 'A Doppel alpha-helix Peptide Fragment' 16511 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16511 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20411530 _Citation.Full_citation . _Citation.Title 'A doppel alpha-helix peptide fragment mimics the copper(II) interactions with the whole protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chemistry _Citation.Journal_name_full 'Chemistry (Weinheim an der Bergstrasse, Germany)' _Citation.Journal_volume 16 _Citation.Journal_issue 21 _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 6212 _Citation.Page_last 6223 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Diego 'La Mendola' . . . 16511 1 2 Antonio Magri . . . 16511 1 3 Tiziana Campagna . . . 16511 1 4 'Maria Anna' Campitiello . . . 16511 1 5 Luca Raiola . . . 16511 1 6 Carla Isernia . . . 16511 1 7 Orjan Hansson . . . 16511 1 8 Raffaele Bonomo . P. . 16511 1 9 Enrico Rizzarelli . . . 16511 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID copper 16511 1 doppel 16511 1 'helical structure' 16511 1 peptides 16511 1 prion 16511 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16511 _Assembly.ID 1 _Assembly.Name hDpl(122-139)D124N _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 hDpl(122-139)D124N 1 $hDpl(122-139)D124N A . yes native no no . . . 16511 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hDpl(122-139)D124N _Entity.Sf_category entity _Entity.Sf_framecode hDpl(122-139)D124N _Entity.Entry_ID 16511 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hDpl(122-139)D124N _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 KPNNKLHQQVLWRLVQEL _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 122 LYS . 16511 1 2 123 PRO . 16511 1 3 124 ASN . 16511 1 4 125 ASN . 16511 1 5 126 LYS . 16511 1 6 127 LEU . 16511 1 7 128 HIS . 16511 1 8 129 GLN . 16511 1 9 130 GLN . 16511 1 10 131 VAL . 16511 1 11 132 LEU . 16511 1 12 133 TRP . 16511 1 13 134 ARG . 16511 1 14 135 LEU . 16511 1 15 136 VAL . 16511 1 16 137 GLN . 16511 1 17 138 GLU . 16511 1 18 139 LEU . 16511 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 . LYS 1 1 16511 1 . PRO 2 2 16511 1 . ASN 3 3 16511 1 . ASN 4 4 16511 1 . LYS 5 5 16511 1 . LEU 6 6 16511 1 . HIS 7 7 16511 1 . GLN 8 8 16511 1 . GLN 9 9 16511 1 . VAL 10 10 16511 1 . LEU 11 11 16511 1 . TRP 12 12 16511 1 . ARG 13 13 16511 1 . LEU 14 14 16511 1 . VAL 15 15 16511 1 . GLN 16 16 16511 1 . GLU 17 17 16511 1 . LEU 18 18 16511 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16511 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $hDpl(122-139)D124N . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16511 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16511 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $hDpl(122-139)D124N . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16511 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16511 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 hDpl(122-139)D124N 'natural abundance' . . 1 $hDpl(122-139)D124N . . 1.2 . . mM . . . . 16511 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16511 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16511 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 16511 _Sample_condition_list.ID 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 pH 5.1 . pH 16511 1 pressure 1 . atm 16511 1 temperature 300 . K 16511 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16511 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16511 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16511 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16511 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16511 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16511 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16511 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16511 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 16511 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16511 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE, ROE and J coupling constant' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16511 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16511 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16511 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16511 _Chem_shift_reference.ID 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16511 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16511 _Assigned_chem_shift_list.ID 1 _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 $chemical_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-1H TOCSY' . . . 16511 1 3 '2D DQF-COSY' . . . 16511 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 LYS H H 1 8.14 0.02 . 1 . . . . 122 LYS H . 16511 1 2 . 1 1 1 1 LYS HA H 1 4.46 0.02 . 1 . . . . 122 LYS HA . 16511 1 3 . 1 1 1 1 LYS HB2 H 1 1.70 0.02 . 1 . . . . 122 LYS HB2 . 16511 1 4 . 1 1 1 1 LYS HB3 H 1 1.70 0.02 . 1 . . . . 122 LYS HB3 . 16511 1 5 . 1 1 1 1 LYS HD2 H 1 1.60 0.02 . 1 . . . . 122 LYS HD2 . 16511 1 6 . 1 1 1 1 LYS HD3 H 1 1.60 0.02 . 1 . . . . 122 LYS HD3 . 16511 1 7 . 1 1 1 1 LYS HE2 H 1 2.91 0.02 . 1 . . . . 122 LYS HE2 . 16511 1 8 . 1 1 1 1 LYS HE3 H 1 2.91 0.02 . 1 . . . . 122 LYS HE3 . 16511 1 9 . 1 1 1 1 LYS HG2 H 1 1.37 0.02 . 1 . . . . 122 LYS HG2 . 16511 1 10 . 1 1 1 1 LYS HG3 H 1 1.37 0.02 . 1 . . . . 122 LYS HG3 . 16511 1 11 . 1 1 1 1 LYS HZ1 H 1 7.73 0.02 . 1 . . . . 122 LYS HZ1 . 16511 1 12 . 1 1 1 1 LYS HZ2 H 1 7.73 0.02 . 1 . . . . 122 LYS HZ2 . 16511 1 13 . 1 1 1 1 LYS HZ3 H 1 7.73 0.02 . 1 . . . . 122 LYS HZ2 . 16511 1 14 . 1 1 2 2 PRO HA H 1 4.30 0.02 . 1 . . . . 123 PRO HA . 16511 1 15 . 1 1 2 2 PRO HB2 H 1 2.19 0.02 . 2 . . . . 123 PRO HB2 . 16511 1 16 . 1 1 2 2 PRO HB3 H 1 1.80 0.02 . 2 . . . . 123 PRO HB3 . 16511 1 17 . 1 1 2 2 PRO HD2 H 1 3.75 0.02 . 2 . . . . 123 PRO HD2 . 16511 1 18 . 1 1 2 2 PRO HD3 H 1 3.53 0.02 . 2 . . . . 123 PRO HD3 . 16511 1 19 . 1 1 2 2 PRO HG2 H 1 1.93 0.02 . 1 . . . . 123 PRO HG2 . 16511 1 20 . 1 1 2 2 PRO HG3 H 1 1.93 0.02 . 1 . . . . 123 PRO HG3 . 16511 1 21 . 1 1 3 3 ASN H H 1 8.45 0.02 . 1 . . . . 124 ASN H . 16511 1 22 . 1 1 3 3 ASN HA H 1 4.58 0.02 . 1 . . . . 124 ASN HA . 16511 1 23 . 1 1 3 3 ASN HB2 H 1 2.72 0.02 . 1 . . . . 124 ASN HB2 . 16511 1 24 . 1 1 3 3 ASN HB3 H 1 2.72 0.02 . 1 . . . . 124 ASN HB3 . 16511 1 25 . 1 1 3 3 ASN HD21 H 1 7.52 0.02 . 2 . . . . 124 ASN HD2 . 16511 1 26 . 1 1 3 3 ASN HD22 H 1 7.52 0.02 . 2 . . . . 124 ASN HD2 . 16511 1 27 . 1 1 4 4 ASN H H 1 8.29 0.02 . 1 . . . . 125 ASN H . 16511 1 28 . 1 1 4 4 ASN HA H 1 4.56 0.02 . 1 . . . . 125 ASN HA . 16511 1 29 . 1 1 4 4 ASN HB2 H 1 2.71 0.02 . 1 . . . . 125 ASN HB2 . 16511 1 30 . 1 1 4 4 ASN HB3 H 1 2.71 0.02 . 1 . . . . 125 ASN HB3 . 16511 1 31 . 1 1 4 4 ASN HD21 H 1 7.50 0.02 . 2 . . . . 125 ASN HD2 . 16511 1 32 . 1 1 4 4 ASN HD22 H 1 7.50 0.02 . 2 . . . . 125 ASN HD2 . 16511 1 33 . 1 1 5 5 LYS H H 1 8.16 0.02 . 1 . . . . 126 LYS H . 16511 1 34 . 1 1 5 5 LYS HA H 1 4.14 0.02 . 1 . . . . 126 LYS HA . 16511 1 35 . 1 1 5 5 LYS HB2 H 1 1.68 0.02 . 1 . . . . 126 LYS HB2 . 16511 1 36 . 1 1 5 5 LYS HB3 H 1 1.68 0.02 . 1 . . . . 126 LYS HB3 . 16511 1 37 . 1 1 5 5 LYS HD2 H 1 1.61 0.02 . 1 . . . . 126 LYS HD2 . 16511 1 38 . 1 1 5 5 LYS HD3 H 1 1.61 0.02 . 1 . . . . 126 LYS HD3 . 16511 1 39 . 1 1 5 5 LYS HE2 H 1 2.89 0.02 . 1 . . . . 126 LYS HE2 . 16511 1 40 . 1 1 5 5 LYS HE3 H 1 2.89 0.02 . 1 . . . . 126 LYS HE3 . 16511 1 41 . 1 1 5 5 LYS HG2 H 1 1.31 0.02 . 1 . . . . 126 LYS HG2 . 16511 1 42 . 1 1 5 5 LYS HG3 H 1 1.31 0.02 . 1 . . . . 126 LYS HG3 . 16511 1 43 . 1 1 5 5 LYS HZ1 H 1 7.43 0.02 . 1 . . . . 126 LYS HZ1 . 16511 1 44 . 1 1 5 5 LYS HZ2 H 1 7.43 0.02 . 1 . . . . 126 LYS HZ2 . 16511 1 45 . 1 1 5 5 LYS HZ3 H 1 7.43 0.02 . 1 . . . . 126 LYS HZ2 . 16511 1 46 . 1 1 6 6 LEU H H 1 7.89 0.02 . 1 . . . . 127 LEU H . 16511 1 47 . 1 1 6 6 LEU HA H 1 4.16 0.02 . 1 . . . . 127 LEU HA . 16511 1 48 . 1 1 6 6 LEU HB2 H 1 1.49 0.02 . 2 . . . . 127 LEU HB2 . 16511 1 49 . 1 1 6 6 LEU HB3 H 1 1.37 0.02 . 1 . . . . 127 LEU HB3 . 16511 1 50 . 1 1 6 6 LEU HD11 H 1 0.80 0.02 . 2 . . . . 127 LEU HD1 . 16511 1 51 . 1 1 6 6 LEU HD12 H 1 0.80 0.02 . 2 . . . . 127 LEU HD1 . 16511 1 52 . 1 1 6 6 LEU HD13 H 1 0.80 0.02 . 2 . . . . 127 LEU HD1 . 16511 1 53 . 1 1 6 6 LEU HD21 H 1 0.74 0.02 . 2 . . . . 127 LEU HD2 . 16511 1 54 . 1 1 6 6 LEU HD22 H 1 0.74 0.02 . 2 . . . . 127 LEU HD2 . 16511 1 55 . 1 1 6 6 LEU HD23 H 1 0.74 0.02 . 2 . . . . 127 LEU HD2 . 16511 1 56 . 1 1 6 6 LEU HG H 1 1.37 0.02 . 1 . . . . 127 LEU HG . 16511 1 57 . 1 1 7 7 HIS H H 1 8.30 0.02 . 1 . . . . 128 HIS H . 16511 1 58 . 1 1 7 7 HIS HA H 1 4.55 0.02 . 1 . . . . 128 HIS HA . 16511 1 59 . 1 1 7 7 HIS HB2 H 1 3.15 0.02 . 2 . . . . 128 HIS HB2 . 16511 1 60 . 1 1 7 7 HIS HB3 H 1 3.06 0.02 . 2 . . . . 128 HIS HB3 . 16511 1 61 . 1 1 7 7 HIS HD2 H 1 7.13 0.02 . 1 . . . . 128 HIS HD2 . 16511 1 62 . 1 1 7 7 HIS HE1 H 1 8.41 0.02 . 1 . . . . 128 HIS HE1 . 16511 1 63 . 1 1 8 8 GLN H H 1 8.21 0.02 . 1 . . . . 129 GLN H . 16511 1 64 . 1 1 8 8 GLN HA H 1 4.22 0.02 . 1 . . . . 129 GLN HA . 16511 1 65 . 1 1 8 8 GLN HB2 H 1 1.96 0.02 . 2 . . . . 129 GLN HB2 . 16511 1 66 . 1 1 8 8 GLN HB3 H 1 1.85 0.02 . 2 . . . . 129 GLN HB3 . 16511 1 67 . 1 1 8 8 GLN HE21 H 1 7.39 0.02 . 2 . . . . 129 GLN HE21 . 16511 1 68 . 1 1 8 8 GLN HE22 H 1 6.76 0.02 . 2 . . . . 129 GLN HE22 . 16511 1 69 . 1 1 8 8 GLN HG2 H 1 2.22 0.02 . 1 . . . . 129 GLN HG2 . 16511 1 70 . 1 1 8 8 GLN HG3 H 1 2.22 0.02 . 1 . . . . 129 GLN HG3 . 16511 1 71 . 1 1 9 9 GLN H H 1 8.36 0.02 . 1 . . . . 130 GLN H . 16511 1 72 . 1 1 9 9 GLN HA H 1 4.21 0.02 . 1 . . . . 130 GLN HA . 16511 1 73 . 1 1 9 9 GLN HB2 H 1 1.93 0.02 . 2 . . . . 130 GLN HB2 . 16511 1 74 . 1 1 9 9 GLN HB3 H 1 1.89 0.02 . 2 . . . . 130 GLN HB3 . 16511 1 75 . 1 1 9 9 GLN HE21 H 1 7.40 0.02 . 2 . . . . 130 GLN HE21 . 16511 1 76 . 1 1 9 9 GLN HE22 H 1 6.76 0.02 . 2 . . . . 130 GLN HE22 . 16511 1 77 . 1 1 9 9 GLN HG2 H 1 2.23 0.02 . 1 . . . . 130 GLN HG2 . 16511 1 78 . 1 1 9 9 GLN HG3 H 1 2.23 0.02 . 1 . . . . 130 GLN HG3 . 16511 1 79 . 1 1 10 10 VAL H H 1 8.09 0.02 . 1 . . . . 131 VAL H . 16511 1 80 . 1 1 10 10 VAL HA H 1 3.91 0.02 . 1 . . . . 131 VAL HA . 16511 1 81 . 1 1 10 10 VAL HB H 1 1.84 0.02 . 1 . . . . 131 VAL HB . 16511 1 82 . 1 1 10 10 VAL HG11 H 1 0.78 0.02 . 2 . . . . 131 VAL HG1 . 16511 1 83 . 1 1 10 10 VAL HG12 H 1 0.78 0.02 . 2 . . . . 131 VAL HG1 . 16511 1 84 . 1 1 10 10 VAL HG13 H 1 0.78 0.02 . 2 . . . . 131 VAL HG1 . 16511 1 85 . 1 1 10 10 VAL HG21 H 1 0.67 0.02 . 2 . . . . 131 VAL HG2 . 16511 1 86 . 1 1 10 10 VAL HG22 H 1 0.67 0.02 . 2 . . . . 131 VAL HG2 . 16511 1 87 . 1 1 10 10 VAL HG23 H 1 0.67 0.02 . 2 . . . . 131 VAL HG2 . 16511 1 88 . 1 1 11 11 LEU H H 1 8.12 0.02 . 1 . . . . 132 LEU H . 16511 1 89 . 1 1 11 11 LEU HA H 1 4.19 0.02 . 1 . . . . 132 LEU HA . 16511 1 90 . 1 1 11 11 LEU HB2 H 1 1.50 0.02 . 1 . . . . 132 LEU HB2 . 16511 1 91 . 1 1 11 11 LEU HB3 H 1 1.50 0.02 . 1 . . . . 132 LEU HB3 . 16511 1 92 . 1 1 11 11 LEU HD11 H 1 0.78 0.02 . 1 . . . . 132 LEU HD1 . 16511 1 93 . 1 1 11 11 LEU HD12 H 1 0.78 0.02 . 1 . . . . 132 LEU HD1 . 16511 1 94 . 1 1 11 11 LEU HD13 H 1 0.78 0.02 . 1 . . . . 132 LEU HD1 . 16511 1 95 . 1 1 11 11 LEU HD21 H 1 0.78 0.02 . 1 . . . . 132 LEU HD2 . 16511 1 96 . 1 1 11 11 LEU HD22 H 1 0.78 0.02 . 1 . . . . 132 LEU HD2 . 16511 1 97 . 1 1 11 11 LEU HD23 H 1 0.78 0.02 . 1 . . . . 132 LEU HD2 . 16511 1 98 . 1 1 11 11 LEU HG H 1 1.50 0.02 . 1 . . . . 132 LEU HG . 16511 1 99 . 1 1 12 12 TRP H H 1 7.90 0.02 . 1 . . . . 133 TRP H . 16511 1 100 . 1 1 12 12 TRP HA H 1 4.50 0.02 . 1 . . . . 133 TRP HA . 16511 1 101 . 1 1 12 12 TRP HB2 H 1 3.16 0.02 . 1 . . . . 133 TRP HB2 . 16511 1 102 . 1 1 12 12 TRP HB3 H 1 3.16 0.02 . 1 . . . . 133 TRP HB3 . 16511 1 103 . 1 1 12 12 TRP HD1 H 1 7.15 0.02 . 1 . . . . 133 TRP HD1 . 16511 1 104 . 1 1 12 12 TRP HE1 H 1 10.02 0.02 . 1 . . . . 133 TRP HE1 . 16511 1 105 . 1 1 12 12 TRP HE3 H 1 7.47 0.02 . 1 . . . . 133 TRP HE3 . 16511 1 106 . 1 1 12 12 TRP HH2 H 1 7.13 0.02 . 1 . . . . 133 TRP HH2 . 16511 1 107 . 1 1 12 12 TRP HZ2 H 1 7.40 0.02 . 1 . . . . 133 TRP HZ2 . 16511 1 108 . 1 1 12 12 TRP HZ3 H 1 7.04 0.02 . 1 . . . . 133 TRP HZ3 . 16511 1 109 . 1 1 13 13 ARG H H 1 7.76 0.02 . 1 . . . . 134 ARG H . 16511 1 110 . 1 1 13 13 ARG HA H 1 4.01 0.02 . 1 . . . . 134 ARG HA . 16511 1 111 . 1 1 13 13 ARG HB2 H 1 1.60 0.02 . 2 . . . . 134 ARG HB2 . 16511 1 112 . 1 1 13 13 ARG HB3 H 1 1.48 0.02 . 2 . . . . 134 ARG HB3 . 16511 1 113 . 1 1 13 13 ARG HD2 H 1 3.00 0.02 . 1 . . . . 134 ARG HD2 . 16511 1 114 . 1 1 13 13 ARG HD3 H 1 3.00 0.02 . 1 . . . . 134 ARG HD3 . 16511 1 115 . 1 1 13 13 ARG HE H 1 7.04 0.02 . 1 . . . . 134 ARG HE . 16511 1 116 . 1 1 13 13 ARG HG2 H 1 1.28 0.02 . 1 . . . . 134 ARG HG2 . 16511 1 117 . 1 1 13 13 ARG HG3 H 1 1.28 0.02 . 1 . . . . 134 ARG HG3 . 16511 1 118 . 1 1 14 14 LEU H H 1 7.86 0.02 . 1 . . . . 135 LEU H . 16511 1 119 . 1 1 14 14 LEU HA H 1 4.14 0.02 . 1 . . . . 135 LEU HA . 16511 1 120 . 1 1 14 14 LEU HB2 H 1 1.57 0.02 . 1 . . . . 135 LEU HB2 . 16511 1 121 . 1 1 14 14 LEU HB3 H 1 1.57 0.02 . 1 . . . . 135 LEU HB3 . 16511 1 122 . 1 1 14 14 LEU HD11 H 1 0.79 0.02 . 1 . . . . 135 LEU HD1 . 16511 1 123 . 1 1 14 14 LEU HD12 H 1 0.79 0.02 . 1 . . . . 135 LEU HD1 . 16511 1 124 . 1 1 14 14 LEU HD13 H 1 0.79 0.02 . 1 . . . . 135 LEU HD1 . 16511 1 125 . 1 1 14 14 LEU HD21 H 1 0.79 0.02 . 1 . . . . 135 LEU HD2 . 16511 1 126 . 1 1 14 14 LEU HD22 H 1 0.79 0.02 . 1 . . . . 135 LEU HD2 . 16511 1 127 . 1 1 14 14 LEU HD23 H 1 0.79 0.02 . 1 . . . . 135 LEU HD2 . 16511 1 128 . 1 1 14 14 LEU HG H 1 1.57 0.02 . 1 . . . . 135 LEU HG . 16511 1 129 . 1 1 15 15 VAL H H 1 7.89 0.02 . 1 . . . . 136 VAL H . 16511 1 130 . 1 1 15 15 VAL HA H 1 3.98 0.02 . 1 . . . . 136 VAL HA . 16511 1 131 . 1 1 15 15 VAL HB H 1 1.96 0.02 . 1 . . . . 136 VAL HB . 16511 1 132 . 1 1 15 15 VAL HG21 H 1 0.82 0.02 . 1 . . . . 136 VAL HG2 . 16511 1 133 . 1 1 15 15 VAL HG22 H 1 0.82 0.02 . 1 . . . . 136 VAL HG2 . 16511 1 134 . 1 1 15 15 VAL HG23 H 1 0.82 0.02 . 1 . . . . 136 VAL HG2 . 16511 1 135 . 1 1 16 16 GLN H H 1 8.19 0.02 . 1 . . . . 137 GLN H . 16511 1 136 . 1 1 16 16 GLN HA H 1 4.22 0.02 . 1 . . . . 137 GLN HA . 16511 1 137 . 1 1 16 16 GLN HB2 H 1 1.96 0.02 . 2 . . . . 137 GLN HB2 . 16511 1 138 . 1 1 16 16 GLN HB3 H 1 1.85 0.02 . 2 . . . . 137 GLN HB3 . 16511 1 139 . 1 1 16 16 GLN HE21 H 1 7.35 0.02 . 2 . . . . 137 GLN HE21 . 16511 1 140 . 1 1 16 16 GLN HE22 H 1 6.73 0.02 . 2 . . . . 137 GLN HE22 . 16511 1 141 . 1 1 16 16 GLN HG2 H 1 2.22 0.02 . 1 . . . . 137 GLN HG2 . 16511 1 142 . 1 1 16 16 GLN HG3 H 1 2.22 0.02 . 1 . . . . 137 GLN HG3 . 16511 1 143 . 1 1 17 17 GLU H H 1 8.43 0.02 . 1 . . . . 138 GLU H . 16511 1 144 . 1 1 17 17 GLU HA H 1 4.27 0.02 . 1 . . . . 138 GLU HA . 16511 1 145 . 1 1 17 17 GLU HB2 H 1 2.12 0.02 . 2 . . . . 138 GLU HB2 . 16511 1 146 . 1 1 17 17 GLU HB3 H 1 1.92 0.02 . 2 . . . . 138 GLU HB3 . 16511 1 147 . 1 1 17 17 GLU HG2 H 1 2.33 0.02 . 1 . . . . 138 GLU HG2 . 16511 1 148 . 1 1 17 17 GLU HG3 H 1 2.33 0.02 . 1 . . . . 138 GLU HG3 . 16511 1 149 . 1 1 18 18 LEU H H 1 8.08 0.02 . 1 . . . . 139 LEU H . 16511 1 150 . 1 1 18 18 LEU HA H 1 4.22 0.02 . 1 . . . . 139 LEU HA . 16511 1 151 . 1 1 18 18 LEU HB2 H 1 1.47 0.02 . 2 . . . . 139 LEU HB2 . 16511 1 152 . 1 1 18 18 LEU HB3 H 1 1.39 0.02 . 1 . . . . 139 LEU HB3 . 16511 1 153 . 1 1 18 18 LEU HD11 H 1 0.78 0.02 . 2 . . . . 139 LEU HD1 . 16511 1 154 . 1 1 18 18 LEU HD12 H 1 0.78 0.02 . 2 . . . . 139 LEU HD1 . 16511 1 155 . 1 1 18 18 LEU HD13 H 1 0.78 0.02 . 2 . . . . 139 LEU HD1 . 16511 1 156 . 1 1 18 18 LEU HD21 H 1 0.72 0.02 . 2 . . . . 139 LEU HD2 . 16511 1 157 . 1 1 18 18 LEU HD22 H 1 0.72 0.02 . 2 . . . . 139 LEU HD2 . 16511 1 158 . 1 1 18 18 LEU HD23 H 1 0.72 0.02 . 2 . . . . 139 LEU HD2 . 16511 1 159 . 1 1 18 18 LEU HG H 1 1.39 0.02 . 1 . . . . 139 LEU HG . 16511 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 16511 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 3 '2D DQF-COSY' . . . 16511 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 1 1 LYS H H 1 . . 1 1 1 1 LYS HA H 1 . 6.7 . . 0.35 . . 1 122 LYS H 1 122 LYS HA . 16511 1 2 3JHNHA . 1 1 3 3 ASN H H 1 . . 1 1 3 3 ASN HA H 1 . 6.6 . . 0.35 . . 1 124 ASN H 1 124 ASN HA . 16511 1 3 3JHNHA . 1 1 4 4 ASN H H 1 . . 1 1 4 4 ASN HA H 1 . 7.2 . . 0.35 . . 1 125 ASN H 1 125 ASN HA . 16511 1 4 3JHNHA . 1 1 5 5 LYS H H 1 . . 1 1 5 5 LYS HA H 1 . 6.9 . . 0.35 . . 1 126 LYS H 1 126 LYS HA . 16511 1 5 3JHNHA . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU HA H 1 . 7.6 . . 0.35 . . 1 127 LEU H 1 127 LEU HA . 16511 1 6 3JHNHA . 1 1 7 7 HIS H H 1 . . 1 1 7 7 HIS HA H 1 . 6.0 . . 0.35 . . 1 128 HIS H 1 128 HIS HA . 16511 1 7 3JHNHA . 1 1 8 8 GLN H H 1 . . 1 1 8 8 GLN HA H 1 . 6.9 . . 0.35 . . 1 129 GLN H 1 129 GLN HA . 16511 1 8 3JHNHA . 1 1 9 9 GLN H H 1 . . 1 1 9 9 GLN HA H 1 . 6.8 . . 0.35 . . 1 130 GLN H 1 130 GLN HA . 16511 1 9 3JHNHA . 1 1 10 10 VAL H H 1 . . 1 1 10 10 VAL HA H 1 . 7.3 . . 0.35 . . 1 131 VAL H 1 131 VAL HA . 16511 1 10 3JHNHA . 1 1 11 11 LEU H H 1 . . 1 1 11 11 LEU HA H 1 . 7.5 . . 0.35 . . 1 132 LEU H 1 132 LEU HA . 16511 1 11 3JHNHA . 1 1 12 12 TRP H H 1 . . 1 1 12 12 TRP HA H 1 . 6.4 . . 0.35 . . 1 133 TRP H 1 133 TRP HA . 16511 1 12 3JHNHA . 1 1 13 13 ARG H H 1 . . 1 1 13 13 ARG HA H 1 . 7.1 . . 0.35 . . 1 134 ARG H 1 134 ARG HA . 16511 1 13 3JHNHA . 1 1 14 14 LEU H H 1 . . 1 1 14 14 LEU HA H 1 . 6.1 . . 0.35 . . 1 135 LEU H 1 135 LEU HA . 16511 1 14 3JHNHA . 1 1 15 15 VAL H H 1 . . 1 1 15 15 VAL HA H 1 . 7.9 . . 0.35 . . 1 136 VAL H 1 136 VAL HA . 16511 1 15 3JHNHA . 1 1 16 16 GLN H H 1 . . 1 1 16 16 GLN HA H 1 . 7.2 . . 0.35 . . 1 137 GLN H 1 137 GLN HA . 16511 1 16 3JHNHA . 1 1 17 17 GLU H H 1 . . 1 1 17 17 GLU HA H 1 . 6.7 . . 0.35 . . 1 138 GLU H 1 138 GLU HA . 16511 1 17 3JHNHA . 1 1 18 18 LEU H H 1 . . 1 1 18 18 LEU HA H 1 . 6.2 . . 0.35 . . 1 139 LEU H 1 139 LEU HA . 16511 1 stop_ save_