data_27927 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27927 _Entry.Title ; RTNLB13_APH_18 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-28 _Entry.Accession_date 2019-05-28 _Entry.Last_release_date 2019-05-28 _Entry.Original_release_date 2019-05-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; 1 mM 18-aa peptide corresponding to Val154 to Ser171 of RTNLB13 from Arabidopsis thaliana. In the presence of 50 mM Sodium Phosphate buffer pH 7.0. 310 K. TOCSY and NOESY. ; _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 Rhiannon Brooks . L. . . 27927 2 Ann Dixon . M. . . 27927 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27927 spectral_peak_list 2 27927 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 89 27927 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 . . 2020-03-05 . original BMRB . 27927 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27926 'Polypeptide chain (RTN13 16-mer)' 27927 BMRB 27928 'Polypeptide chain (R13-APH22 22-mer)' 27927 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27927 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31874147 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Revealing the mechanism of protein-lipid interactions for a putative membrane curvature sensor in plant endoplasmic reticulum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Biomembr.' _Citation.Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Citation.Journal_volume 1862 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-2642 _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 183160 _Citation.Page_last 183160 _Citation.Year 2020 _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 Rhiannon Brooks . L. . . 27927 1 2 Ann Dixon . M. . . 27927 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27927 _Assembly.ID 1 _Assembly.Name 'Polypeptide chain' _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 R13-APH18 1 $RTNLB13_APH_18 A . yes 'partially disordered' no no . . . 27927 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RTNLB13_APH_18 _Entity.Sf_category entity _Entity.Sf_framecode RTNLB13_APH_18 _Entity.Entry_ID 27927 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RTNLB13_APH_18 _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 ; VPKLWEEYGDQIQKHLGS ; _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 . VAL . 27927 1 2 . PRO . 27927 1 3 . LYS . 27927 1 4 . LEU . 27927 1 5 . TRP . 27927 1 6 . GLU . 27927 1 7 . GLU . 27927 1 8 . TYR . 27927 1 9 . GLY . 27927 1 10 . ASP . 27927 1 11 . GLN . 27927 1 12 . ILE . 27927 1 13 . GLN . 27927 1 14 . LYS . 27927 1 15 . HIS . 27927 1 16 . LEU . 27927 1 17 . GLY . 27927 1 18 . SER . 27927 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 . VAL 1 1 27927 1 . PRO 2 2 27927 1 . LYS 3 3 27927 1 . LEU 4 4 27927 1 . TRP 5 5 27927 1 . GLU 6 6 27927 1 . GLU 7 7 27927 1 . TYR 8 8 27927 1 . GLY 9 9 27927 1 . ASP 10 10 27927 1 . GLN 11 11 27927 1 . ILE 12 12 27927 1 . GLN 13 13 27927 1 . LYS 14 14 27927 1 . HIS 15 15 27927 1 . LEU 16 16 27927 1 . GLY 17 17 27927 1 . SER 18 18 27927 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 27927 _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 $RTNLB13_APH_18 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . RTNLB13 . 27927 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 27927 _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 $RTNLB13_APH_18 . 'chemical synthesis' . . . . . . . . . . . . . . . . 27927 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27927 _Sample.ID 1 _Sample.Name . _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 'RTNLB13 APH 18' 'natural abundance' . . 1 $RTNLB13_APH_18 . . 1 . . mM . . . . 27927 1 2 DPC-d38 'natural abundance' . . . . . . 50 . . mM . . . . 27927 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27927 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 27927 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 7.0 . pH 27927 1 pressure 1 . atm 27927 1 temperature 310 . K 27927 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 27927 _Software.ID 1 _Software.Type . _Software.Name CCPNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27927 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27927 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27927 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker BioSpin' . . 27927 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27927 2 . processing 27927 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 27927 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27927 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Bruker Avance . 700 . . . 27927 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 27927 _Experiment_list.ID 1 _Experiment_list.Details . 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 . . . . . . . . . . . . . . . . 27927 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27927 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 27927 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.72 internal direct 1.0 . . . . . 27927 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 27927 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 27927 1 2 '2D 1H-1H NOESY' . . . 27927 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 VAL HA H 1 3.749 0.002 . 1 . . 28 . . 1 VAL HA . 27927 1 2 . 1 . 1 1 1 VAL HB H 1 2.028 . . 1 . . 29 . . 1 VAL HB . 27927 1 3 . 1 . 1 1 1 VAL HG11 H 1 1.019 . . 1 . . 30 . . 1 VAL HG11 . 27927 1 4 . 1 . 1 1 1 VAL HG12 H 1 1.019 . . 1 . . 30 . . 1 VAL HG12 . 27927 1 5 . 1 . 1 1 1 VAL HG13 H 1 1.019 . . 1 . . 30 . . 1 VAL HG13 . 27927 1 6 . 1 . 1 1 1 VAL HG21 H 1 8.159 0.001 . 1 . . 27 . . 1 VAL HG21 . 27927 1 7 . 1 . 1 1 1 VAL HG22 H 1 8.159 0.001 . 1 . . 27 . . 1 VAL HG22 . 27927 1 8 . 1 . 1 1 1 VAL HG23 H 1 8.159 0.001 . 1 . . 27 . . 1 VAL HG23 . 27927 1 9 . 1 . 1 2 2 PRO HA H 1 3.992 0.018 . 1 . . 67 . . 2 PRO HA . 27927 1 10 . 1 . 1 2 2 PRO HB2 H 1 2.607 . . 2 . . 69 . . 2 PRO HB2 . 27927 1 11 . 1 . 1 2 2 PRO HB3 H 1 2.240 0.001 . 2 . . 70 . . 2 PRO HB3 . 27927 1 12 . 1 . 1 2 2 PRO HD2 H 1 3.481 0.0 . 1 . . 68 . . 2 PRO HD2 . 27927 1 13 . 1 . 1 3 3 LYS H H 1 8.939 0.01 . 1 . . 1 . . 3 LYS H . 27927 1 14 . 1 . 1 3 3 LYS HA H 1 4.247 . . 1 . . 2 . . 3 LYS HA . 27927 1 15 . 1 . 1 3 3 LYS HB2 H 1 1.816 . . 1 . . 4 . . 3 LYS HB2 . 27927 1 16 . 1 . 1 3 3 LYS HG2 H 1 1.548 . . 1 . . 5 . . 3 LYS HG2 . 27927 1 17 . 1 . 1 3 3 LYS HE2 H 1 3.040 . . 1 . . 3 . . 3 LYS HE2 . 27927 1 18 . 1 . 1 4 4 LEU H H 1 8.755 0.002 . 1 . . 6 . . 4 LEU H . 27927 1 19 . 1 . 1 4 4 LEU HA H 1 4.237 . . 1 . . 7 . . 4 LEU HA . 27927 1 20 . 1 . 1 4 4 LEU HB2 H 1 1.820 . . 1 . . 8 . . 4 LEU HB2 . 27927 1 21 . 1 . 1 4 4 LEU HD11 H 1 1.004 . . 1 . . 9 . . 4 LEU HD11 . 27927 1 22 . 1 . 1 4 4 LEU HD12 H 1 1.004 . . 1 . . 9 . . 4 LEU HD12 . 27927 1 23 . 1 . 1 4 4 LEU HD13 H 1 1.004 . . 1 . . 9 . . 4 LEU HD13 . 27927 1 24 . 1 . 1 5 5 TRP H H 1 7.946 0.013 . 1 . . 42 . . 5 TRP H . 27927 1 25 . 1 . 1 5 5 TRP HA H 1 4.442 0.018 . 1 . . 43 . . 5 TRP HA . 27927 1 26 . 1 . 1 5 5 TRP HB2 H 1 3.350 . . 1 . . 44 . . 5 TRP HB2 . 27927 1 27 . 1 . 1 5 5 TRP HD1 H 1 7.183 0.0 . 1 . . 72 . . 5 TRP HD1 . 27927 1 28 . 1 . 1 5 5 TRP HE1 H 1 10.626 0.0 . 1 . . 71 . . 5 TRP HE1 . 27927 1 29 . 1 . 1 5 5 TRP HE3 H 1 7.505 0.006 . 1 . . 80 . . 5 TRP HE3 . 27927 1 30 . 1 . 1 5 5 TRP HZ2 H 1 7.365 . . 1 . . 83 . . 5 TRP HZ2 . 27927 1 31 . 1 . 1 5 5 TRP HZ3 H 1 7.015 0.009 . 1 . . 81 . . 5 TRP HZ3 . 27927 1 32 . 1 . 1 5 5 TRP HH2 H 1 6.828 0.005 . 1 . . 77 . . 5 TRP HH2 . 27927 1 33 . 1 . 1 6 6 GLU H H 1 8.335 0.006 . 1 . . 12 . . 6 GLU H . 27927 1 34 . 1 . 1 6 6 GLU HA H 1 4.387 . . 1 . . 13 . . 6 GLU HA . 27927 1 35 . 1 . 1 6 6 GLU HB2 H 1 1.661 . . 1 . . 15 . . 6 GLU HB2 . 27927 1 36 . 1 . 1 6 6 GLU HG2 H 1 2.651 . . 1 . . 14 . . 6 GLU HG2 . 27927 1 37 . 1 . 1 7 7 GLU H H 1 8.227 0.018 . 1 . . 23 . . 7 GLU H . 27927 1 38 . 1 . 1 7 7 GLU HA H 1 4.040 . . 1 . . 24 . . 7 GLU HA . 27927 1 39 . 1 . 1 7 7 GLU HB2 H 1 1.702 . . 1 . . 26 . . 7 GLU HB2 . 27927 1 40 . 1 . 1 7 7 GLU HG2 H 1 2.695 . . 1 . . 25 . . 7 GLU HG2 . 27927 1 41 . 1 . 1 8 8 TYR H H 1 7.853 0.022 . 1 . . 56 . . 8 TYR H . 27927 1 42 . 1 . 1 8 8 TYR HA H 1 4.555 . . 1 . . 57 . . 8 TYR HA . 27927 1 43 . 1 . 1 8 8 TYR HB2 H 1 3.353 . . 2 . . 58 . . 8 TYR HB2 . 27927 1 44 . 1 . 1 8 8 TYR HB3 H 1 3.138 . . 2 . . 59 . . 8 TYR HB3 . 27927 1 45 . 1 . 1 8 8 TYR HD1 H 1 7.142 0.002 . 1 . . 85 . . 8 TYR HD1 . 27927 1 46 . 1 . 1 8 8 TYR HD2 H 1 7.142 0.002 . 1 . . 85 . . 8 TYR HD2 . 27927 1 47 . 1 . 1 8 8 TYR HE1 H 1 6.799 0.008 . 1 . . 84 . . 8 TYR HE1 . 27927 1 48 . 1 . 1 8 8 TYR HE2 H 1 6.799 0.008 . 1 . . 84 . . 8 TYR HE2 . 27927 1 49 . 1 . 1 9 9 GLY H H 1 8.151 0.016 . 1 . . 31 . . 9 GLY H . 27927 1 50 . 1 . 1 9 9 GLY HA2 H 1 3.913 . . 1 . . 32 . . 9 GLY HA2 . 27927 1 51 . 1 . 1 10 10 ASP H H 1 7.964 0.012 . 1 . . 39 . . 10 ASP H . 27927 1 52 . 1 . 1 10 10 ASP HA H 1 4.002 . . 1 . . 40 . . 10 ASP HA . 27927 1 53 . 1 . 1 10 10 ASP HB2 H 1 2.239 . . 1 . . 41 . . 10 ASP HB2 . 27927 1 54 . 1 . 1 11 11 GLN H H 1 8.313 0.014 . 1 . . 16 . . 11 GLN H . 27927 1 55 . 1 . 1 11 11 GLN HA H 1 4.255 0.024 . 1 . . 17 . . 11 GLN HA . 27927 1 56 . 1 . 1 11 11 GLN HB2 H 1 2.046 . . 1 . . 19 . . 11 GLN HB2 . 27927 1 57 . 1 . 1 11 11 GLN HG2 H 1 2.394 . . 1 . . 18 . . 11 GLN HG2 . 27927 1 58 . 1 . 1 12 12 ILE H H 1 8.025 0.014 . 1 . . 33 . . 12 ILE H . 27927 1 59 . 1 . 1 12 12 ILE HA H 1 4.064 0.003 . 1 . . 34 . . 12 ILE HA . 27927 1 60 . 1 . 1 12 12 ILE HB H 1 1.924 . . 1 . . 36 . . 12 ILE HB . 27927 1 61 . 1 . 1 12 12 ILE HG12 H 1 1.582 . . 1 . . 37 . . 12 ILE HG12 . 27927 1 62 . 1 . 1 12 12 ILE HG21 H 1 0.916 . . 1 . . 38 . . 12 ILE HG21 . 27927 1 63 . 1 . 1 12 12 ILE HG22 H 1 0.916 . . 1 . . 38 . . 12 ILE HG22 . 27927 1 64 . 1 . 1 12 12 ILE HG23 H 1 0.916 . . 1 . . 38 . . 12 ILE HG23 . 27927 1 65 . 1 . 1 13 13 GLN H H 1 7.814 0.013 . 1 . . 60 . . 13 GLN H . 27927 1 66 . 1 . 1 13 13 GLN HA H 1 3.863 0.017 . 1 . . 63 . . 13 GLN HA . 27927 1 67 . 1 . 1 13 13 GLN HB2 H 1 2.750 . . 1 . . 61 . . 13 GLN HB2 . 27927 1 68 . 1 . 1 13 13 GLN HG2 H 1 3.211 . . 1 . . 62 . . 13 GLN HG2 . 27927 1 69 . 1 . 1 14 14 LYS H H 1 7.870 0.003 . 1 . . 49 . . 14 LYS H . 27927 1 70 . 1 . 1 14 14 LYS HA H 1 4.109 0.002 . 1 . . 50 . . 14 LYS HA . 27927 1 71 . 1 . 1 14 14 LYS HB2 H 1 1.637 . . 1 . . 52 . . 14 LYS HB2 . 27927 1 72 . 1 . 1 14 14 LYS HG2 H 1 1.406 . . 1 . . 53 . . 14 LYS HG2 . 27927 1 73 . 1 . 1 14 14 LYS HE2 H 1 2.956 . . 1 . . 51 . . 14 LYS HE2 . 27927 1 74 . 1 . 1 15 15 HIS H H 1 8.251 0.02 . 1 . . 20 . . 15 HIS H . 27927 1 75 . 1 . 1 15 15 HIS HA H 1 4.141 . . 1 . . 21 . . 15 HIS HA . 27927 1 76 . 1 . 1 15 15 HIS HB2 H 1 3.020 . . 1 . . 22 . . 15 HIS HB2 . 27927 1 77 . 1 . 1 15 15 HIS HD1 H 1 7.308 0.002 . 1 . . 89 . . 15 HIS HD1 . 27927 1 78 . 1 . 1 15 15 HIS HE1 H 1 8.400 0.0 . 1 . . 88 . . 15 HIS HE1 . 27927 1 79 . 1 . 1 16 16 LEU H H 1 7.885 0.002 . 1 . . 45 . . 16 LEU H . 27927 1 80 . 1 . 1 16 16 LEU HA H 1 4.461 . . 1 . . 46 . . 16 LEU HA . 27927 1 81 . 1 . 1 16 16 LEU HB2 H 1 1.878 . . 1 . . 47 . . 16 LEU HB2 . 27927 1 82 . 1 . 1 16 16 LEU HD11 H 1 0.960 . . 1 . . 48 . . 16 LEU HD11 . 27927 1 83 . 1 . 1 16 16 LEU HD12 H 1 0.960 . . 1 . . 48 . . 16 LEU HD12 . 27927 1 84 . 1 . 1 16 16 LEU HD13 H 1 0.960 . . 1 . . 48 . . 16 LEU HD13 . 27927 1 85 . 1 . 1 17 17 GLY H H 1 8.325 . . 1 . . 10 . . 17 GLY H . 27927 1 86 . 1 . 1 17 17 GLY HA2 H 1 4.015 . . 1 . . 11 . . 17 GLY HA2 . 27927 1 87 . 1 . 1 18 18 SER H H 1 7.797 0.0 . 1 . . 64 . . 18 SER H . 27927 1 88 . 1 . 1 18 18 SER HA H 1 4.324 . . 1 . . 65 . . 18 SER HA . 27927 1 89 . 1 . 1 18 18 SER HB2 H 1 3.881 . . 1 . . 66 . . 18 SER HB2 . 27927 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 27927 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 9803.92156863 . . . . . . . 27927 1 2 . . H 1 1H . . 9803.40625225 . . . . . . . 27927 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27927 1 2 1.0 . . 27927 1 3 1.0 . . 27927 1 4 1.0 . . 27927 1 5 1.0 . . 27927 1 6 1.0 . . 27927 1 7 1.0 . . 27927 1 8 1.0 . . 27927 1 9 1.0 . . 27927 1 10 1.0 . . 27927 1 11 1.0 . . 27927 1 12 1.0 . . 27927 1 13 1.0 . . 27927 1 14 1.0 . . 27927 1 15 1.0 . . 27927 1 16 1.0 . . 27927 1 17 1.0 . . 27927 1 18 1.0 . . 27927 1 19 1.0 . . 27927 1 20 1.0 . . 27927 1 21 1.0 . . 27927 1 22 1.0 . . 27927 1 23 1.0 . . 27927 1 24 1.0 . . 27927 1 25 1.0 . . 27927 1 26 1.0 . . 27927 1 27 1.0 . . 27927 1 28 1.0 . . 27927 1 29 1.0 . . 27927 1 30 1.0 . . 27927 1 31 1.0 . . 27927 1 32 1.0 . . 27927 1 33 1.0 . . 27927 1 34 1.0 . . 27927 1 35 1.0 . . 27927 1 36 1.0 . . 27927 1 37 1.0 . . 27927 1 38 1.0 . . 27927 1 39 1.0 . . 27927 1 40 1.0 . . 27927 1 41 1.0 . . 27927 1 42 1.0 . . 27927 1 43 1.0 . . 27927 1 44 1.0 . . 27927 1 45 1.0 . . 27927 1 46 1.0 . . 27927 1 47 1.0 . . 27927 1 48 1.0 . . 27927 1 49 1.0 . . 27927 1 50 1.0 . . 27927 1 51 1.0 . . 27927 1 52 1.0 . . 27927 1 53 1.0 . . 27927 1 54 1.0 . . 27927 1 55 1.0 . . 27927 1 56 1.0 . . 27927 1 57 1.0 . . 27927 1 58 1.0 . . 27927 1 59 1.0 . . 27927 1 60 1.0 . . 27927 1 61 1.0 . . 27927 1 62 1.0 . . 27927 1 63 1.0 . . 27927 1 64 1.0 . . 27927 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 63525.500 . height 27927 1 1 503556.500 . volume 27927 1 2 25591.000 . height 27927 1 2 207704.500 . volume 27927 1 3 49448.125 . height 27927 1 3 406811.750 . volume 27927 1 4 30724.625 . height 27927 1 4 249181.625 . volume 27927 1 5 59187.000 . height 27927 1 5 472717.625 . volume 27927 1 6 13186.875 . height 27927 1 6 103435.500 . volume 27927 1 7 16609.750 . height 27927 1 7 134563.500 . volume 27927 1 8 135747.250 . height 27927 1 8 1101633.875 . volume 27927 1 9 147394.750 . height 27927 1 9 1204992.000 . volume 27927 1 10 105183.750 . height 27927 1 10 869033.750 . volume 27927 1 11 22874.375 . height 27927 1 11 192449.125 . volume 27927 1 12 57792.625 . height 27927 1 12 510259.125 . volume 27927 1 13 98358.750 . height 27927 1 13 815255.125 . volume 27927 1 14 66702.625 . height 27927 1 14 576951.125 . volume 27927 1 15 31449.625 . height 27927 1 15 268189.125 . volume 27927 1 16 3374.125 . height 27927 1 16 46034.750 . volume 27927 1 17 17959.875 . height 27927 1 17 150388.250 . volume 27927 1 18 73021.500 . height 27927 1 18 595471.500 . volume 27927 1 19 38385.625 . height 27927 1 19 321310.750 . volume 27927 1 20 47676.250 . height 27927 1 20 388588.000 . volume 27927 1 21 25075.250 . height 27927 1 21 210733.625 . volume 27927 1 22 86413.750 . height 27927 1 22 721413.875 . volume 27927 1 23 18717.625 . height 27927 1 23 150698.500 . volume 27927 1 24 129314.125 . height 27927 1 24 1048755.500 . volume 27927 1 25 79149.750 . height 27927 1 25 675193.625 . volume 27927 1 26 38259.500 . height 27927 1 26 313486.500 . volume 27927 1 27 123010.625 . height 27927 1 27 1000924.000 . volume 27927 1 28 83553.000 . height 27927 1 28 688691.875 . volume 27927 1 29 105598.625 . height 27927 1 29 909347.500 . volume 27927 1 30 31438.500 . height 27927 1 30 249099.750 . volume 27927 1 31 26840.375 . height 27927 1 31 228610.625 . volume 27927 1 32 52745.000 . height 27927 1 32 423712.375 . volume 27927 1 33 95273.625 . height 27927 1 33 802964.125 . volume 27927 1 34 110885.875 . height 27927 1 34 908524.750 . volume 27927 1 35 125566.375 . height 27927 1 35 1022782.875 . volume 27927 1 36 41740.750 . height 27927 1 36 336998.250 . volume 27927 1 37 50589.125 . height 27927 1 37 421831.125 . volume 27927 1 38 37301.375 . height 27927 1 38 314626.875 . volume 27927 1 39 20819.375 . height 27927 1 39 165872.625 . volume 27927 1 40 32295.375 . height 27927 1 40 256542.000 . volume 27927 1 41 33987.625 . height 27927 1 41 271110.500 . volume 27927 1 42 1220288.125 . height 27927 1 42 9829477.125 . volume 27927 1 43 27233.250 . height 27927 1 43 222831.375 . volume 27927 1 44 18654.250 . height 27927 1 44 148765.250 . volume 27927 1 45 1780765.625 . height 27927 1 45 14504166.750 . volume 27927 1 46 321814.625 . height 27927 1 46 2574784.375 . volume 27927 1 47 36021.125 . height 27927 1 47 279971.500 . volume 27927 1 48 39135.125 . height 27927 1 48 313353.625 . volume 27927 1 49 331948.750 . height 27927 1 49 2809179.875 . volume 27927 1 50 240018.375 . height 27927 1 50 1955861.375 . volume 27927 1 51 441297.000 . height 27927 1 51 3479574.500 . volume 27927 1 52 518826.125 . height 27927 1 52 4091184.250 . volume 27927 1 53 320611.500 . height 27927 1 53 2675122.875 . volume 27927 1 54 444587.625 . height 27927 1 54 3662457.625 . volume 27927 1 55 339644.250 . height 27927 1 55 2712429.125 . volume 27927 1 56 447607.625 . height 27927 1 56 3783275.750 . volume 27927 1 57 354455.500 . height 27927 1 57 2899106.125 . volume 27927 1 58 91688.250 . height 27927 1 58 772584.125 . volume 27927 1 59 58986.250 . height 27927 1 59 491388.000 . volume 27927 1 60 411141.375 . height 27927 1 60 3456674.750 . volume 27927 1 61 737944.125 . height 27927 1 61 6102894.125 . volume 27927 1 62 796104.250 . height 27927 1 62 6627016.125 . volume 27927 1 63 238380.000 . height 27927 1 63 1903544.875 . volume 27927 1 64 194090.875 . height 27927 1 64 1552367.250 . volume 27927 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.942 . 21.2816338913 . . . . . . . . . . . 27927 1 1 2 4.247 . 77.6899863287 . . . . . . . . . . . 27927 1 2 1 8.943 . 21.2984342201 . . . . . . . . . . . 27927 1 2 2 3.040 . 88.6549115180 . . . . . . . . . . . 27927 1 3 1 8.941 . 22.3442912102 . . . . . . . . . . . 27927 1 3 2 1.816 . 98.0228667876 . . . . . . . . . . . 27927 1 4 1 8.941 . 22.3945461068 . . . . . . . . . . . 27927 1 4 2 1.548 . 88.6706883888 . . . . . . . . . . . 27927 1 5 1 8.754 . 23.8532529158 . . . . . . . . . . . 27927 1 5 2 4.237 . 80.8669806402 . . . . . . . . . . . 27927 1 6 1 8.754 . 25.0107225250 . . . . . . . . . . . 27927 1 6 2 1.820 . 72.1020524314 . . . . . . . . . . . 27927 1 7 1 8.751 . 18.3665577103 . . . . . . . . . . . 27927 1 7 2 1.004 . 92.8013068893 . . . . . . . . . . . 27927 1 8 1 8.338 . 23.4503372043 . . . . . . . . . . . 27927 1 8 2 4.387 . 92.3268321089 . . . . . . . . . . . 27927 1 9 1 8.325 . 48.8170806099 . . . . . . . . . . . 27927 1 9 2 4.015 . 84.1053294491 . . . . . . . . . . . 27927 1 10 1 8.337 . 26.2348090901 . . . . . . . . . . . 27927 1 10 2 2.651 . 99.2306738947 . . . . . . . . . . . 27927 1 11 1 8.346 . 137.1356786470 . . . . . . . . . . . 27927 1 11 2 1.661 . 115.9979815580 . . . . . . . . . . . 27927 1 12 1 8.310 . 67.6365167487 . . . . . . . . . . . 27927 1 12 2 4.280 . 173.9633734460 . . . . . . . . . . . 27927 1 13 1 8.310 . 57.1487288849 . . . . . . . . . . . 27927 1 13 2 2.394 . 333.7351594640 . . . . . . . . . . . 27927 1 14 1 8.310 . 64.5765194706 . . . . . . . . . . . 27927 1 14 2 2.046 . 365.1480778360 . . . . . . . . . . . 27927 1 15 1 8.246 . 29.0886736384 . . . . . . . . . . . 27927 1 15 2 3.020 . 156.3768371590 . . . . . . . . . . . 27927 1 16 1 8.247 . 403.9579162410 . . . . . . . . . . . 27927 1 16 2 4.141 . 551.1603059270 . . . . . . . . . . . 27927 1 17 1 8.213 . 232.7920759430 . . . . . . . . . . . 27927 1 17 2 4.040 . 272.3146328770 . . . . . . . . . . . 27927 1 18 1 8.223 . 39.2064159992 . . . . . . . . . . . 27927 1 18 2 2.695 . 84.5044258468 . . . . . . . . . . . 27927 1 19 1 8.205 . 76.6826903119 . . . . . . . . . . . 27927 1 19 2 1.702 . 105.2860706300 . . . . . . . . . . . 27927 1 20 1 8.161 . 24.6433066387 . . . . . . . . . . . 27927 1 20 2 3.752 . 85.7011307116 . . . . . . . . . . . 27927 1 21 1 8.158 . 38.4292181800 . . . . . . . . . . . 27927 1 21 2 2.028 . 200.8202821350 . . . . . . . . . . . 27927 1 22 1 8.159 . 26.8133247600 . . . . . . . . . . . 27927 1 22 2 1.019 . 141.8597787310 . . . . . . . . . . . 27927 1 23 1 8.115 . 70.3720485463 . . . . . . . . . . . 27927 1 23 2 3.913 . 83.3240821814 . . . . . . . . . . . 27927 1 24 1 8.022 . 30.4991708082 . . . . . . . . . . . 27927 1 24 2 4.067 . 87.4745678525 . . . . . . . . . . . 27927 1 25 1 8.022 . 27.3754783705 . . . . . . . . . . . 27927 1 25 2 1.924 . 204.3303437180 . . . . . . . . . . . 27927 1 26 1 8.024 . 25.6282441756 . . . . . . . . . . . 27927 1 26 2 1.582 . 94.3579581392 . . . . . . . . . . . 27927 1 27 1 8.013 . 40.9031031178 . . . . . . . . . . . 27927 1 27 2 0.916 . 82.4505110032 . . . . . . . . . . . 27927 1 28 1 7.977 . 56.1230322894 . . . . . . . . . . . 27927 1 28 2 4.002 . 166.5336359670 . . . . . . . . . . . 27927 1 29 1 7.973 . 40.8949220882 . . . . . . . . . . . 27927 1 29 2 2.239 . 140.4597275320 . . . . . . . . . . . 27927 1 30 1 7.941 . 64.1173591801 . . . . . . . . . . . 27927 1 30 2 4.442 . 76.6919531700 . . . . . . . . . . . 27927 1 31 1 7.943 . 21.9610976238 . . . . . . . . . . . 27927 1 31 2 3.350 . 129.5514822120 . . . . . . . . . . . 27927 1 32 1 7.886 . 22.9264591254 . . . . . . . . . . . 27927 1 32 2 4.461 . 83.3182388959 . . . . . . . . . . . 27927 1 33 1 7.883 . 29.5136489120 . . . . . . . . . . . 27927 1 33 2 1.878 . 170.2376946290 . . . . . . . . . . . 27927 1 34 1 7.888 . 29.8473180509 . . . . . . . . . . . 27927 1 34 2 0.960 . 89.6844984182 . . . . . . . . . . . 27927 1 35 1 7.873 . 80.5644428029 . . . . . . . . . . . 27927 1 35 2 4.107 . 84.2391406864 . . . . . . . . . . . 27927 1 36 1 7.872 . 24.8472480213 . . . . . . . . . . . 27927 1 36 2 2.956 . 83.5940419702 . . . . . . . . . . . 27927 1 37 1 7.872 . 30.9251687106 . . . . . . . . . . . 27927 1 37 2 1.637 . 275.4051465630 . . . . . . . . . . . 27927 1 38 1 7.872 . 22.5025064805 . . . . . . . . . . . 27927 1 38 2 1.406 . 116.5747138340 . . . . . . . . . . . 27927 1 39 1 7.852 . 32.9114058438 . . . . . . . . . . . 27927 1 39 2 4.555 . 78.1872499225 . . . . . . . . . . . 27927 1 40 1 7.855 . 25.4608252469 . . . . . . . . . . . 27927 1 40 2 3.353 . 81.1053866875 . . . . . . . . . . . 27927 1 41 1 7.854 . 40.8952142678 . . . . . . . . . . . 27927 1 41 2 3.138 . 76.8199211219 . . . . . . . . . . . 27927 1 42 1 7.844 . 61.1721884971 . . . . . . . . . . . 27927 1 42 2 3.880 . 79.6124272492 . . . . . . . . . . . 27927 1 43 1 7.810 . 22.9805123572 . . . . . . . . . . . 27927 1 43 2 2.750 . 95.6726973705 . . . . . . . . . . . 27927 1 44 1 7.811 . 23.2642187792 . . . . . . . . . . . 27927 1 44 2 3.211 . 77.8056833811 . . . . . . . . . . . 27927 1 45 1 7.797 . 54.4660816006 . . . . . . . . . . . 27927 1 45 2 3.881 . 86.2766943307 . . . . . . . . . . . 27927 1 46 1 7.796 . 28.2023467270 . . . . . . . . . . . 27927 1 46 2 4.324 . 78.5828403490 . . . . . . . . . . . 27927 1 47 1 3.979 . 19.0565399095 . . . . . . . . . . . 27927 1 47 2 3.481 . 68.8344871951 . . . . . . . . . . . 27927 1 48 1 3.482 . 19.3411228704 . . . . . . . . . . . 27927 1 48 2 3.971 . 136.0129872870 . . . . . . . . . . . 27927 1 49 1 4.007 . 37.6245554756 . . . . . . . . . . . 27927 1 49 2 2.239 . 116.2235323770 . . . . . . . . . . . 27927 1 50 1 2.241 . 40.1343785080 . . . . . . . . . . . 27927 1 50 2 4.012 . 90.0946970584 . . . . . . . . . . . 27927 1 51 1 10.626 . 19.5003607694 . . . . . . . . . . . 27927 1 51 2 7.182 . 77.3332537507 . . . . . . . . . . . 27927 1 52 1 7.183 . 18.3374858370 . . . . . . . . . . . 27927 1 52 2 10.625 . 78.7709941412 . . . . . . . . . . . 27927 1 53 1 7.006 . 32.6443536609 . . . . . . . . . . . 27927 1 53 2 7.496 . 108.7803553430 . . . . . . . . . . . 27927 1 54 1 6.847 . 22.5521770178 . . . . . . . . . . . 27927 1 54 2 7.642 . 158.8003398090 . . . . . . . . . . . 27927 1 55 1 7.654 . 24.2833413330 . . . . . . . . . . . 27927 1 55 2 6.848 . 79.5224406529 . . . . . . . . . . . 27927 1 56 1 7.511 . 28.8693928251 . . . . . . . . . . . 27927 1 56 2 7.025 . 139.6112824810 . . . . . . . . . . . 27927 1 57 1 7.506 . 48.0188458574 . . . . . . . . . . . 27927 1 57 2 6.824 . 91.2624776601 . . . . . . . . . . . 27927 1 58 1 7.365 . 309.9777534900 . . . . . . . . . . . 27927 1 58 2 6.836 . 103.2663390060 . . . . . . . . . . . 27927 1 60 1 6.825 . 39.5500192455 . . . . . . . . . . . 27927 1 60 2 7.509 . 110.8012556230 . . . . . . . . . . . 27927 1 61 1 6.791 . 67.0581471686 . . . . . . . . . . . 27927 1 61 2 7.141 . 94.0108669821 . . . . . . . . . . . 27927 1 62 1 7.144 . 33.3940865947 . . . . . . . . . . . 27927 1 62 2 6.807 . 96.1121124380 . . . . . . . . . . . 27927 1 63 1 8.400 . 21.9768753239 . . . . . . . . . . . 27927 1 63 2 7.306 . 81.2500080029 . . . . . . . . . . . 27927 1 64 1 7.310 . 21.9727848090 . . . . . . . . . . . 27927 1 64 2 8.400 . 81.1391316611 . . . . . . . . . . . 27927 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.942 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1 1 2 1 . . 4.247 . . 1 . 1 1 3 LYS HA . . . . . . . . . . 2 . 27927 1 2 1 2 . . 8.943 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1 2 2 1 . . 3.040 . . 1 . 1 1 3 LYS HE2 . . . . . . . . . . 3 . 27927 1 3 1 1 . . 8.941 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1 3 2 1 . . 1.816 . . 1 . 1 1 3 LYS HB2 . . . . . . . . . . 4 . 27927 1 4 1 1 . . 8.941 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 1 4 2 1 . . 1.548 . . 1 . 1 1 3 LYS HG2 . . . . . . . . . . 5 . 27927 1 5 1 1 . . 8.754 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1 5 2 1 . . 4.237 . . 1 . 1 1 4 LEU HA . . . . . . . . . . 7 . 27927 1 6 1 1 . . 8.754 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1 6 2 1 . . 1.820 . . 1 . 1 1 4 LEU HB2 . . . . . . . . . . 8 . 27927 1 7 1 1 . . 8.751 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 1 7 2 1 . . 1.004 . . 1 . 1 1 4 LEU MD1 . . . . . . . . . . 9 . 27927 1 8 1 1 . . 8.338 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1 8 2 1 . . 4.387 . . 1 . 1 1 6 GLU HA . . . . . . . . . . 13 . 27927 1 9 1 1 . . 8.325 . . 1 . 1 1 17 GLY H . . . . . . . . . . 10 . 27927 1 9 2 1 . . 4.015 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 11 . 27927 1 10 1 1 . . 8.337 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1 10 2 1 . . 2.651 . . 1 . 1 1 6 GLU HG2 . . . . . . . . . . 14 . 27927 1 11 1 1 . . 8.346 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 1 11 2 1 . . 1.661 . . 1 . 1 1 6 GLU HB2 . . . . . . . . . . 15 . 27927 1 12 1 1 . . 8.310 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1 12 2 1 . . 4.280 . . 1 . 1 1 11 GLN HA . . . . . . . . . . 17 . 27927 1 13 1 1 . . 8.310 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1 13 2 1 . . 2.394 . . 1 . 1 1 11 GLN HG2 . . . . . . . . . . 18 . 27927 1 14 1 1 . . 8.310 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 1 14 2 1 . . 2.046 . . 1 . 1 1 11 GLN HB2 . . . . . . . . . . 19 . 27927 1 15 1 1 . . 8.246 . . 1 . 1 1 15 HIS H . . . . . . . . . . 20 . 27927 1 15 2 1 . . 3.020 . . 1 . 1 1 15 HIS HB2 . . . . . . . . . . 22 . 27927 1 16 1 1 . . 8.247 . . 1 . 1 1 15 HIS H . . . . . . . . . . 20 . 27927 1 16 2 1 . . 4.141 . . 1 . 1 1 15 HIS HA . . . . . . . . . . 21 . 27927 1 17 1 1 . . 8.213 . . 1 . 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1 17 2 1 . . 4.040 . . 1 . 1 1 7 GLU HA . . . . . . . . . . 24 . 27927 1 18 1 1 . . 8.223 . . 1 . 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1 18 2 1 . . 2.695 . . 1 . 1 1 7 GLU HG2 . . . . . . . . . . 25 . 27927 1 19 1 1 . . 8.205 . . 1 . 1 1 7 GLU H . . . . . . . . . . 23 . 27927 1 19 2 1 . . 1.702 . . 1 . 1 1 7 GLU HB2 . . . . . . . . . . 26 . 27927 1 20 1 1 . . 8.161 . . 1 . 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1 20 2 1 . . 3.752 . . 1 . 1 1 1 VAL HA . . . . . . . . . . 28 . 27927 1 21 1 1 . . 8.158 . . 1 . 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1 21 2 1 . . 2.028 . . 1 . 1 1 1 VAL HB . . . . . . . . . . 29 . 27927 1 22 1 1 . . 8.159 . . 1 . 1 1 1 VAL H3 . . . . . . . . . . 27 . 27927 1 22 2 1 . . 1.019 . . 1 . 1 1 1 VAL MG1 . . . . . . . . . . 30 . 27927 1 23 1 1 . . 8.115 . . 1 . 1 1 9 GLY H . . . . . . . . . . 31 . 27927 1 23 2 1 . . 3.913 . . 1 . 1 1 9 GLY HA2 . . . . . . . . . . 32 . 27927 1 24 1 1 . . 8.022 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1 24 2 1 . . 4.067 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 34 . 27927 1 25 1 2 . . 8.022 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1 25 2 1 . . 1.924 . . 1 . 1 1 12 ILE HB . . . . . . . . . . 36 . 27927 1 26 1 1 . . 8.024 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1 26 2 1 . . 1.582 . . 1 . 1 1 12 ILE HG12 . . . . . . . . . . 37 . 27927 1 27 1 1 . . 8.013 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 1 27 2 1 . . 0.916 . . 1 . 1 1 12 ILE MG . . . . . . . . . . 38 . 27927 1 28 1 1 . . 7.977 . . 1 . 1 1 10 ASP H . . . . . . . . . . 39 . 27927 1 28 2 1 . . 4.002 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 40 . 27927 1 29 1 1 . . 7.973 . . 1 . 1 1 10 ASP H . . . . . . . . . . 39 . 27927 1 29 2 1 . . 2.239 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 41 . 27927 1 30 1 1 . . 7.941 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 1 30 2 1 . . 4.442 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 1 31 1 1 . . 7.943 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 1 31 2 1 . . 3.350 . . 1 . 1 1 5 TRP HB2 . . . . . . . . . . 44 . 27927 1 32 1 1 . . 7.886 . . 1 . 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1 32 2 1 . . 4.461 . . 1 . 1 1 16 LEU HA . . . . . . . . . . 46 . 27927 1 33 1 1 . . 7.883 . . 1 . 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1 33 2 1 . . 1.878 . . 1 . 1 1 16 LEU HB2 . . . . . . . . . . 47 . 27927 1 34 1 1 . . 7.888 . . 1 . 1 1 16 LEU H . . . . . . . . . . 45 . 27927 1 34 2 1 . . 0.960 . . 1 . 1 1 16 LEU MD1 . . . . . . . . . . 48 . 27927 1 35 1 1 . . 7.873 . . 1 . 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1 35 2 1 . . 4.107 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 50 . 27927 1 36 1 1 . . 7.872 . . 1 . 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1 36 2 1 . . 2.956 . . 1 . 1 1 14 LYS HE2 . . . . . . . . . . 51 . 27927 1 37 1 1 . . 7.872 . . 1 . 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1 37 2 1 . . 1.637 . . 1 . 1 1 14 LYS HB2 . . . . . . . . . . 52 . 27927 1 38 1 1 . . 7.872 . . 1 . 1 1 14 LYS H . . . . . . . . . . 49 . 27927 1 38 2 1 . . 1.406 . . 1 . 1 1 14 LYS HG2 . . . . . . . . . . 53 . 27927 1 39 1 1 . . 7.852 . . 1 . 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1 39 2 1 . . 4.555 . . 1 . 1 1 8 TYR HA . . . . . . . . . . 57 . 27927 1 40 1 1 . . 7.855 . . 1 . 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1 40 2 1 . . 3.353 . . 1 . 1 1 8 TYR HB2 . . . . . . . . . . 58 . 27927 1 41 1 1 . . 7.854 . . 1 . 1 1 8 TYR H . . . . . . . . . . 56 . 27927 1 41 2 1 . . 3.138 . . 1 . 1 1 8 TYR HB3 . . . . . . . . . . 59 . 27927 1 42 1 1 . . 7.844 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1 42 2 1 . . 3.880 . . 1 . 1 1 13 GLN HA . . . . . . . . . . 63 . 27927 1 43 1 1 . . 7.810 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1 43 2 1 . . 2.750 . . 1 . 1 1 13 GLN HB2 . . . . . . . . . . 61 . 27927 1 44 1 2 . . 7.811 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 1 44 2 2 . . 3.211 . . 1 . 1 1 13 GLN HG2 . . . . . . . . . . 62 . 27927 1 45 1 1 . . 7.797 . . 1 . 1 1 18 SER H . . . . . . . . . . 64 . 27927 1 45 2 1 . . 3.881 . . 1 . 1 1 18 SER HB2 . . . . . . . . . . 66 . 27927 1 46 1 1 . . 7.796 . . 1 . 1 1 18 SER H . . . . . . . . . . 64 . 27927 1 46 2 1 . . 4.324 . . 1 . 1 1 18 SER HA . . . . . . . . . . 65 . 27927 1 47 1 1 . . 3.979 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1 47 2 1 . . 3.481 . . 1 . 1 1 2 PRO HD2 . . . . . . . . . . 68 . 27927 1 48 1 1 . . 3.482 . . 1 . 1 1 2 PRO HD2 . . . . . . . . . . 68 . 27927 1 48 2 1 . . 3.971 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1 49 1 1 . . 4.007 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1 49 2 1 . . 2.239 . . 1 . 1 1 2 PRO HB3 . . . . . . . . . . 70 . 27927 1 50 1 1 . . 2.241 . . 1 . 1 1 2 PRO HB3 . . . . . . . . . . 70 . 27927 1 50 2 1 . . 4.012 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 67 . 27927 1 51 1 1 . . 10.626 . . 1 . 1 1 5 TRP HE1 . . . . . . . . . . 71 . 27927 1 51 2 1 . . 7.182 . . 1 . 1 1 5 TRP HD1 . . . . . . . . . . 72 . 27927 1 52 1 1 . . 7.183 . . 1 . 1 1 5 TRP HD1 . . . . . . . . . . 72 . 27927 1 52 2 1 . . 10.625 . . 1 . 1 1 5 TRP HE1 . . . . . . . . . . 71 . 27927 1 53 1 1 . . 7.006 . . 1 . 1 1 5 TRP HZ3 . . . . . . . . . . 81 . 27927 1 53 2 1 . . 7.496 . . 1 . 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1 54 1 2 . . 6.847 . . 1 . . . . . . . . . . . . . . . . 79 . 27927 1 54 2 2 . . 7.642 . . 1 . . . . . . . . . . . . . . . . 78 . 27927 1 55 1 1 . . 7.654 . . 1 . . . . . . . . . . . . . . . . 78 . 27927 1 55 2 1 . . 6.848 . . 1 . . . . . . . . . . . . . . . . 79 . 27927 1 56 1 1 . . 7.511 . . 1 . 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1 56 2 1 . . 7.025 . . 1 . 1 1 5 TRP HZ3 . . . . . . . . . . 81 . 27927 1 57 1 2 . . 7.506 . . 1 . 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1 57 2 4 . . 6.824 . . 1 . 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1 58 1 1 . . 7.365 . . 1 . 1 1 5 TRP HZ2 . . . . . . . . . . 83 . 27927 1 58 2 1 . . 6.836 . . 1 . 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1 60 1 1 . . 6.825 . . 1 . 1 1 5 TRP HH2 . . . . . . . . . . 77 . 27927 1 60 2 1 . . 7.509 . . 1 . 1 1 5 TRP HE3 . . . . . . . . . . 80 . 27927 1 61 1 1 . . 6.791 . . 1 . 1 1 8 TYR QE . . . . . . . . . . 84 . 27927 1 61 2 1 . . 7.141 . . 1 . 1 1 8 TYR QD . . . . . . . . . . 85 . 27927 1 62 1 1 . . 7.144 . . 1 . 1 1 8 TYR QD . . . . . . . . . . 85 . 27927 1 62 2 1 . . 6.807 . . 1 . 1 1 8 TYR QE . . . . . . . . . . 84 . 27927 1 63 1 1 . . 8.400 . . 1 . 1 1 15 HIS HE1 . . . . . . . . . . 88 . 27927 1 63 2 1 . . 7.306 . . 1 . 1 1 15 HIS HD1 . . . . . . . . . . 89 . 27927 1 64 1 1 . . 7.310 . . 1 . 1 1 15 HIS HD1 . . . . . . . . . . 89 . 27927 1 64 2 1 . . 8.400 . . 1 . 1 1 15 HIS HE1 . . . . . . . . . . 88 . 27927 1 stop_ save_ save_peak_list_1_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode peak_list_1_2 _Spectral_peak_list.Entry_ID 27927 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID . _Spectral_peak_list.Assigned_chem_shift_list_label . _Spectral_peak_list.Details 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 9803.92156863 . . . . . . . 27927 2 2 . . H 1 1H . . 9803.40625600 . . . . . . . 27927 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27927 2 2 1.0 . . 27927 2 3 1.0 . . 27927 2 4 1.0 . . 27927 2 5 1.0 . . 27927 2 6 1.0 . . 27927 2 7 1.0 . . 27927 2 8 1.0 . . 27927 2 9 1.0 . . 27927 2 10 1.0 . . 27927 2 11 1.0 . . 27927 2 12 1.0 . . 27927 2 13 1.0 . . 27927 2 14 1.0 . . 27927 2 15 1.0 . . 27927 2 16 1.0 . . 27927 2 17 1.0 . . 27927 2 18 1.0 . . 27927 2 19 1.0 . . 27927 2 20 1.0 . . 27927 2 21 1.0 . . 27927 2 22 1.0 . . 27927 2 23 1.0 . . 27927 2 24 1.0 . . 27927 2 25 1.0 . . 27927 2 26 1.0 . . 27927 2 27 1.0 . . 27927 2 28 1.0 . . 27927 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 97492.0 . height 27927 2 1 777927.0 . volume 27927 2 2 27189.0 . height 27927 2 2 218225.5 . volume 27927 2 3 86729.5 . height 27927 2 3 719662.5 . volume 27927 2 4 261132.0 . height 27927 2 4 2176794.0 . volume 27927 2 5 130574.0 . height 27927 2 5 1082104.5 . volume 27927 2 6 14421.0 . height 27927 2 6 121602.5 . volume 27927 2 7 299366.5 . height 27927 2 7 2269549.5 . volume 27927 2 8 264503.5 . height 27927 2 8 2157763.5 . volume 27927 2 9 246716.5 . height 27927 2 9 2015046.0 . volume 27927 2 10 51468.5 . height 27927 2 10 422801.5 . volume 27927 2 11 320376.0 . height 27927 2 11 2505817.0 . volume 27927 2 12 110211.5 . height 27927 2 12 883371.0 . volume 27927 2 13 278825.0 . height 27927 2 13 2172327.0 . volume 27927 2 14 324402.5 . height 27927 2 14 2752117.0 . volume 27927 2 15 210353.5 . height 27927 2 15 1585453.0 . volume 27927 2 16 100995.0 . height 27927 2 16 847601.5 . volume 27927 2 17 254828.0 . height 27927 2 17 2115953.5 . volume 27927 2 18 254389.5 . height 27927 2 18 2069952.5 . volume 27927 2 19 237909.5 . height 27927 2 19 1897659.5 . volume 27927 2 20 32911.5 . height 27927 2 20 362211.0 . volume 27927 2 21 148056.5 . height 27927 2 21 1204888.5 . volume 27927 2 22 20061.5 . height 27927 2 22 168462.0 . volume 27927 2 23 17910.0 . height 27927 2 23 153559.0 . volume 27927 2 24 48413.5 . height 27927 2 24 429420.5 . volume 27927 2 25 74142.0 . height 27927 2 25 561321.5 . volume 27927 2 26 71802.5 . height 27927 2 26 525323.5 . volume 27927 2 27 205078.5 . height 27927 2 27 1679059.0 . volume 27927 2 28 103372.0 . height 27927 2 28 1015000.5 . volume 27927 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.247 . 28.7240334586 . . . . . . . . . . . 27927 2 1 2 4.433 . 88.7834638323 . . . . . . . . . . . 27927 2 2 1 8.160 . 27.0374265372 . . . . . . . . . . . 27927 2 2 2 4.419 . 92.0521977269 . . . . . . . . . . . 27927 2 3 1 7.809 . 27.5972427106 . . . . . . . . . . . 27927 2 3 2 4.442 . 469.2275101960 . . . . . . . . . . . 27927 2 4 1 7.800 . 27.6469132480 . . . . . . . . . . . 27927 2 4 2 4.061 . 107.4673691380 . . . . . . . . . . . 27927 2 5 1 8.024 . 86.1725386451 . . . . . . . . . . . 27927 2 5 2 4.231 . 242.5483524440 . . . . . . . . . . . 27927 2 6 1 8.227 . 15.8650617973 . . . . . . . . . . . 27927 2 6 2 3.846 . 368.6709947890 . . . . . . . . . . . 27927 2 7 1 7.807 . 26.9097440383 . . . . . . . . . . . 27927 2 7 2 8.002 . 76.2060840121 . . . . . . . . . . . 27927 2 8 1 7.809 . 24.8107255674 . . . . . . . . . . . 27927 2 8 2 8.246 . 89.1843132159 . . . . . . . . . . . 27927 2 9 1 7.950 . 25.7795932246 . . . . . . . . . . . 27927 2 9 2 8.333 . 217.4917600000 . . . . . . . . . . . 27927 2 10 1 8.019 . 179.5946383010 . . . . . . . . . . . 27927 2 10 2 8.297 . 133.0266302150 . . . . . . . . . . . 27927 2 11 1 7.949 . 27.5940287347 . . . . . . . . . . . 27927 2 11 2 8.147 . 103.6522880510 . . . . . . . . . . . 27927 2 12 1 7.940 . 23.1651698842 . . . . . . . . . . . 27927 2 12 2 8.759 . 82.5532067770 . . . . . . . . . . . 27927 2 13 1 8.331 . 26.1174989682 . . . . . . . . . . . 27927 2 13 2 8.154 . 240.6716352320 . . . . . . . . . . . 27927 2 14 1 8.333 . 28.1307627173 . . . . . . . . . . . 27927 2 14 2 7.919 . 125.7539310310 . . . . . . . . . . . 27927 2 15 1 8.158 . 25.2171474345 . . . . . . . . . . . 27927 2 15 2 8.335 . 243.6566776160 . . . . . . . . . . . 27927 2 16 1 8.250 . 101.3762518470 . . . . . . . . . . . 27927 2 16 2 7.972 . 256.0404986050 . . . . . . . . . . . 27927 2 17 1 8.160 . 29.5490026474 . . . . . . . . . . . 27927 2 17 2 7.955 . 92.5135251151 . . . . . . . . . . . 27927 2 18 1 8.248 . 25.9962444212 . . . . . . . . . . . 27927 2 18 2 7.812 . 90.7228502814 . . . . . . . . . . . 27927 2 19 1 8.024 . 28.8553682028 . . . . . . . . . . . 27927 2 19 2 7.822 . 268.1924872430 . . . . . . . . . . . 27927 2 20 1 8.298 . 131.5221774810 . . . . . . . . . . . 27927 2 20 2 8.048 . 293.2590132730 . . . . . . . . . . . 27927 2 21 1 8.756 . 21.8839622011 . . . . . . . . . . . 27927 2 21 2 7.946 . 92.0635921336 . . . . . . . . . . . 27927 2 22 1 8.943 . 20.6343099183 . . . . . . . . . . . 27927 2 22 2 7.954 . 146.2954167890 . . . . . . . . . . . 27927 2 23 1 7.947 . 29.7532362096 . . . . . . . . . . . 27927 2 23 2 8.908 . 219.0136437010 . . . . . . . . . . . 27927 2 24 1 8.292 . 64.1911345370 . . . . . . . . . . . 27927 2 24 2 4.110 . 192.1307323820 . . . . . . . . . . . 27927 2 25 1 8.944 . 21.6848417824 . . . . . . . . . . . 27927 2 25 2 8.755 . 79.3188021845 . . . . . . . . . . . 27927 2 26 1 8.756 . 21.9098200985 . . . . . . . . . . . 27927 2 26 2 8.943 . 65.0693662258 . . . . . . . . . . . 27927 2 27 1 7.871 . 27.9598376330 . . . . . . . . . . . 27927 2 27 2 8.325 . 92.6907227472 . . . . . . . . . . . 27927 2 28 1 8.334 . 27.9560392978 . . . . . . . . . . . 27927 2 28 2 4.474 . 141.7025944060 . . . . . . . . . . . 27927 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.247 . . 1 . 1 1 7 GLU H . . . . . . . . . . 23 . 27927 2 1 2 1 . . 4.433 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 2 2 1 1 . . 8.160 . . 1 . 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 2 2 1 . . 4.419 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 2 3 1 1 . . 7.809 . . 1 . 1 1 8 TYR H . . . . . . . . . . 56 . 27927 2 3 2 1 . . 4.442 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 2 4 1 1 . . 7.800 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 4 2 1 . . 4.061 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 34 . 27927 2 5 1 2 . . 8.024 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 5 2 1 . . 4.231 . . 1 . 1 1 11 GLN HA . . . . . . . . . . 17 . 27927 2 6 1 1 . . 8.227 . . 1 . 1 1 15 HIS H . . . . . . . . . . 20 . 27927 2 6 2 1 . . 3.846 . . 1 . 1 1 13 GLN HA . . . . . . . . . . 63 . 27927 2 7 1 1 . . 7.807 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 7 2 1 . . 8.002 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 8 1 1 . . 7.809 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 8 2 1 . . 8.246 . . 1 . 1 1 15 HIS H . . . . . . . . . . 20 . 27927 2 9 1 1 . . 7.950 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 9 2 1 . . 8.333 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 2 10 1 1 . . 8.019 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 10 2 1 . . 8.297 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 2 11 1 1 . . 7.949 . . 1 . 1 1 10 ASP H . . . . . . . . . . 39 . 27927 2 11 2 1 . . 8.147 . . 1 . 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 12 1 1 . . 7.940 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 12 2 1 . . 8.759 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 2 13 1 1 . . 8.331 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 2 13 2 1 . . 8.154 . . 1 . 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 14 1 1 . . 8.333 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 2 14 2 1 . . 7.919 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 15 1 1 . . 8.158 . . 1 . 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 15 2 1 . . 8.335 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 2 16 1 1 . . 8.250 . . 1 . 1 1 7 GLU H . . . . . . . . . . 23 . 27927 2 16 2 1 . . 7.972 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 17 1 1 . . 8.160 . . 1 . 1 1 9 GLY H . . . . . . . . . . 31 . 27927 2 17 2 1 . . 7.955 . . 1 . 1 1 10 ASP H . . . . . . . . . . 39 . 27927 2 18 1 1 . . 8.248 . . 1 . 1 1 15 HIS H . . . . . . . . . . 20 . 27927 2 18 2 2 . . 7.812 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 19 1 1 . . 8.024 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 19 2 1 . . 7.822 . . 1 . 1 1 13 GLN H . . . . . . . . . . 60 . 27927 2 20 1 1 . . 8.298 . . 1 . 1 1 11 GLN H . . . . . . . . . . 16 . 27927 2 20 2 1 . . 8.048 . . 1 . 1 1 12 ILE H . . . . . . . . . . 33 . 27927 2 21 1 1 . . 8.756 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 2 21 2 1 . . 7.946 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 22 1 1 . . 8.943 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 2 22 2 1 . . 7.954 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 23 1 1 . . 7.947 . . 1 . 1 1 5 TRP H . . . . . . . . . . 42 . 27927 2 23 2 1 . . 8.908 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 2 24 1 1 . . 8.292 . . 1 . 1 1 15 HIS H . . . . . . . . . . 20 . 27927 2 24 2 1 . . 4.110 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 50 . 27927 2 25 1 1 . . 8.944 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 2 25 2 1 . . 8.755 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 2 26 1 1 . . 8.756 . . 1 . 1 1 4 LEU H . . . . . . . . . . 6 . 27927 2 26 2 1 . . 8.943 . . 1 . 1 1 3 LYS H . . . . . . . . . . 1 . 27927 2 27 1 1 . . 7.871 . . 1 . 1 1 8 TYR H . . . . . . . . . . 56 . 27927 2 27 2 1 . . 8.325 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 2 28 1 1 . . 8.334 . . 1 . 1 1 6 GLU H . . . . . . . . . . 12 . 27927 2 28 2 1 . . 4.474 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 43 . 27927 2 stop_ save_