data_27928 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27928 _Entry.Title ; RTNLB13_APH_22 ; _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 ; 1.2 mM 22-aa peptide corresponding to Val154 to Lys175 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. . . 27928 2 Ann Dixon . M. . . 27928 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27928 spectral_peak_list 2 27928 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 111 27928 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 . 27928 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27926 'Polypeptide chain (RTNLB13 18-mer)' 27928 BMRB 27927 'Polypeptide chain (R13-APH22 22-mer)' 27928 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27928 _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. . . 27928 1 2 Ann Dixon . M. . . 27928 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27928 _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-APH22 1 $RTNLB13_APH_22 A . yes 'partially disordered' no no . . . 27928 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RTNLB13_APH_22 _Entity.Sf_category entity _Entity.Sf_framecode RTNLB13_APH_22 _Entity.Entry_ID 27928 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RTNLB13_APH_22 _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 ; VPKLWEEYGDQIQKHLGSLK DK ; _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 22 _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 . 27928 1 2 . PRO . 27928 1 3 . LYS . 27928 1 4 . LEU . 27928 1 5 . TRP . 27928 1 6 . GLU . 27928 1 7 . GLU . 27928 1 8 . TYR . 27928 1 9 . GLY . 27928 1 10 . ASP . 27928 1 11 . GLN . 27928 1 12 . ILE . 27928 1 13 . GLN . 27928 1 14 . LYS . 27928 1 15 . HIS . 27928 1 16 . LEU . 27928 1 17 . GLY . 27928 1 18 . SER . 27928 1 19 . LEU . 27928 1 20 . LYS . 27928 1 21 . ASP . 27928 1 22 . LYS . 27928 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 27928 1 . PRO 2 2 27928 1 . LYS 3 3 27928 1 . LEU 4 4 27928 1 . TRP 5 5 27928 1 . GLU 6 6 27928 1 . GLU 7 7 27928 1 . TYR 8 8 27928 1 . GLY 9 9 27928 1 . ASP 10 10 27928 1 . GLN 11 11 27928 1 . ILE 12 12 27928 1 . GLN 13 13 27928 1 . LYS 14 14 27928 1 . HIS 15 15 27928 1 . LEU 16 16 27928 1 . GLY 17 17 27928 1 . SER 18 18 27928 1 . LEU 19 19 27928 1 . LYS 20 20 27928 1 . ASP 21 21 27928 1 . LYS 22 22 27928 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 27928 _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_22 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . RTNLB13 . 27928 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 27928 _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_22 . 'chemical synthesis' . . . . . . . . . . . . . . . . 27928 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27928 _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 22' 'natural abundance' . . 1 $RTNLB13_APH_22 . . 1.2 . . mM . . . . 27928 1 2 DPC-d38 'natural abundance' . . . . . . 50 . . mM . . . . 27928 1 3 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 27928 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 27928 _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 27928 1 pressure 1 . atm 27928 1 temperature 310 . K 27928 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNmr_Analysis _Software.Entry_ID 27928 _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 . . 27928 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27928 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27928 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker BioSpin' . . 27928 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27928 2 . processing 27928 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 27928 _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 27928 _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 . . . 27928 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 27928 _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 . . . . . . . . . . . . . . . . 27928 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27928 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 27928 _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 . . . . . 27928 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 27928 _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' . . . 27928 1 2 '2D 1H-1H NOESY' . . . 27928 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 2 2 PRO HA H 1 4.636 0.008 . 1 . . 82 . . 2 PRO HA . 27928 1 2 . 1 . 1 2 2 PRO HB2 H 1 2.559 0.001 . 1 . . 32 . . 2 PRO HB2 . 27928 1 3 . 1 . 1 2 2 PRO HD2 H 1 3.868 . . 1 . . 84 . . 2 PRO HD2 . 27928 1 4 . 1 . 1 3 3 LYS H H 1 8.977 0.008 . 1 . . 74 . . 3 LYS H . 27928 1 5 . 1 . 1 3 3 LYS HA H 1 4.239 0.002 . 1 . . 78 . . 3 LYS HA . 27928 1 6 . 1 . 1 3 3 LYS HB2 H 1 1.831 0.008 . 2 . . 76 . . 3 LYS HB2 . 27928 1 7 . 1 . 1 3 3 LYS HB3 H 1 1.748 . . 2 . . 79 . . 3 LYS HB3 . 27928 1 8 . 1 . 1 3 3 LYS HG2 H 1 1.555 0.012 . 1 . . 75 . . 3 LYS HG2 . 27928 1 9 . 1 . 1 3 3 LYS HE2 H 1 3.028 0.002 . 1 . . 77 . . 3 LYS HE2 . 27928 1 10 . 1 . 1 4 4 LEU H H 1 8.821 0.007 . 1 . . 1 . . 4 LEU H . 27928 1 11 . 1 . 1 4 4 LEU HA H 1 4.232 0.003 . 1 . . 2 . . 4 LEU HA . 27928 1 12 . 1 . 1 4 4 LEU HB2 H 1 1.819 0.004 . 1 . . 3 . . 4 LEU HB2 . 27928 1 13 . 1 . 1 4 4 LEU HG H 1 1.607 . . 1 . . 4 . . 4 LEU HG . 27928 1 14 . 1 . 1 4 4 LEU HD11 H 1 1.015 0.001 . 1 . . 5 . . 4 LEU HD11 . 27928 1 15 . 1 . 1 4 4 LEU HD12 H 1 1.015 0.001 . 1 . . 5 . . 4 LEU HD12 . 27928 1 16 . 1 . 1 4 4 LEU HD13 H 1 1.015 0.001 . 1 . . 5 . . 4 LEU HD13 . 27928 1 17 . 1 . 1 5 5 TRP H H 1 7.937 0.009 . 1 . . 47 . . 5 TRP H . 27928 1 18 . 1 . 1 5 5 TRP HA H 1 4.414 0.005 . 1 . . 49 . . 5 TRP HA . 27928 1 19 . 1 . 1 5 5 TRP HB2 H 1 3.350 0.001 . 2 . . 48 . . 5 TRP HB2 . 27928 1 20 . 1 . 1 5 5 TRP HB3 H 1 3.257 . . 2 . . 98 . . 5 TRP HB3 . 27928 1 21 . 1 . 1 5 5 TRP HD1 H 1 7.155 . . 1 . . 100 . . 5 TRP HD1 . 27928 1 22 . 1 . 1 5 5 TRP HE1 H 1 10.607 . . 1 . . 99 . . 5 TRP HE1 . 27928 1 23 . 1 . 1 6 6 GLU H H 1 7.743 0.004 . 1 . . 110 . . 6 GLU H . 27928 1 24 . 1 . 1 6 6 GLU HA H 1 3.978 0.006 . 1 . . 111 . . 6 GLU HA . 27928 1 25 . 1 . 1 6 6 GLU HB2 H 1 2.033 . . 1 . . 112 . . 6 GLU HB2 . 27928 1 26 . 1 . 1 7 7 GLU H H 1 8.000 0.011 . 1 . . 39 . . 7 GLU H . 27928 1 27 . 1 . 1 7 7 GLU HA H 1 4.021 0.007 . 1 . . 40 . . 7 GLU HA . 27928 1 28 . 1 . 1 7 7 GLU HG2 H 1 2.111 0.003 . 1 . . 91 . . 7 GLU HG2 . 27928 1 29 . 1 . 1 8 8 TYR H H 1 7.797 0.008 . 1 . . 50 . . 8 TYR H . 27928 1 30 . 1 . 1 8 8 TYR HA H 1 4.751 0.007 . 1 . . 51 . . 8 TYR HA . 27928 1 31 . 1 . 1 8 8 TYR HB2 H 1 3.192 0.008 . 2 . . 52 . . 8 TYR HB2 . 27928 1 32 . 1 . 1 8 8 TYR HB3 H 1 2.731 0.01 . 2 . . 53 . . 8 TYR HB3 . 27928 1 33 . 1 . 1 8 8 TYR HD1 H 1 7.136 0.01 . 1 . . 81 . . 8 TYR HD1 . 27928 1 34 . 1 . 1 8 8 TYR HD2 H 1 7.136 0.01 . 1 . . 81 . . 8 TYR HD2 . 27928 1 35 . 1 . 1 8 8 TYR HE1 H 1 6.759 . . 1 . . 102 . . 8 TYR HE1 . 27928 1 36 . 1 . 1 8 8 TYR HE2 H 1 6.759 . . 1 . . 102 . . 8 TYR HE2 . 27928 1 37 . 1 . 1 9 9 GLY H H 1 8.248 0.004 . 1 . . 108 . . 9 GLY H . 27928 1 38 . 1 . 1 9 9 GLY HA2 H 1 2.925 . . 1 . . 109 . . 9 GLY HA2 . 27928 1 39 . 1 . 1 10 10 ASP H H 1 8.351 0.007 . 1 . . 6 . . 10 ASP H . 27928 1 40 . 1 . 1 10 10 ASP HA H 1 4.360 0.001 . 1 . . 7 . . 10 ASP HA . 27928 1 41 . 1 . 1 10 10 ASP HB2 H 1 2.614 0.014 . 2 . . 8 . . 10 ASP HB2 . 27928 1 42 . 1 . 1 10 10 ASP HB3 H 1 2.651 0.001 . 2 . . 94 . . 10 ASP HB3 . 27928 1 43 . 1 . 1 11 11 GLN H H 1 7.992 0.007 . 1 . . 37 . . 11 GLN H . 27928 1 44 . 1 . 1 11 11 GLN HA H 1 4.128 0.003 . 1 . . 38 . . 11 GLN HA . 27928 1 45 . 1 . 1 11 11 GLN HB2 H 1 2.243 0.002 . 1 . . 33 . . 11 GLN HB2 . 27928 1 46 . 1 . 1 11 11 GLN HG2 H 1 2.567 0.02 . 1 . . 83 . . 11 GLN HG2 . 27928 1 47 . 1 . 1 12 12 ILE H H 1 8.298 0.004 . 1 . . 13 . . 12 ILE H . 27928 1 48 . 1 . 1 12 12 ILE HA H 1 3.700 0.001 . 1 . . 14 . . 12 ILE HA . 27928 1 49 . 1 . 1 12 12 ILE HB H 1 2.016 0.003 . 1 . . 15 . . 12 ILE HB . 27928 1 50 . 1 . 1 12 12 ILE HG21 H 1 1.020 0.002 . 1 . . 16 . . 12 ILE HG21 . 27928 1 51 . 1 . 1 12 12 ILE HG22 H 1 1.020 0.002 . 1 . . 16 . . 12 ILE HG22 . 27928 1 52 . 1 . 1 12 12 ILE HG23 H 1 1.020 0.002 . 1 . . 16 . . 12 ILE HG23 . 27928 1 53 . 1 . 1 12 12 ILE HD11 H 1 0.873 0.007 . 1 . . 17 . . 12 ILE HD11 . 27928 1 54 . 1 . 1 12 12 ILE HD12 H 1 0.873 0.007 . 1 . . 17 . . 12 ILE HD12 . 27928 1 55 . 1 . 1 12 12 ILE HD13 H 1 0.873 0.007 . 1 . . 17 . . 12 ILE HD13 . 27928 1 56 . 1 . 1 13 13 GLN H H 1 8.367 0.008 . 1 . . 9 . . 13 GLN H . 27928 1 57 . 1 . 1 13 13 GLN HA H 1 4.005 0.001 . 1 . . 10 . . 13 GLN HA . 27928 1 58 . 1 . 1 13 13 GLN HB2 H 1 2.255 0.002 . 1 . . 11 . . 13 GLN HB2 . 27928 1 59 . 1 . 1 13 13 GLN HG2 H 1 2.376 0.007 . 1 . . 12 . . 13 GLN HG2 . 27928 1 60 . 1 . 1 14 14 LYS H H 1 7.995 0.003 . 1 . . 29 . . 14 LYS H . 27928 1 61 . 1 . 1 14 14 LYS HA H 1 4.048 0.023 . 1 . . 30 . . 14 LYS HA . 27928 1 62 . 1 . 1 14 14 LYS HB2 H 1 1.889 . . 2 . . 35 . . 14 LYS HB2 . 27928 1 63 . 1 . 1 14 14 LYS HB3 H 1 1.542 . . 2 . . 36 . . 14 LYS HB3 . 27928 1 64 . 1 . 1 14 14 LYS HG2 H 1 1.288 . . 1 . . 80 . . 14 LYS HG2 . 27928 1 65 . 1 . 1 14 14 LYS HE2 H 1 2.913 0.001 . 1 . . 31 . . 14 LYS HE2 . 27928 1 66 . 1 . 1 15 15 HIS H H 1 7.906 0.005 . 1 . . 44 . . 15 HIS H . 27928 1 67 . 1 . 1 15 15 HIS HA H 1 4.543 0.005 . 1 . . 45 . . 15 HIS HA . 27928 1 68 . 1 . 1 15 15 HIS HB2 H 1 3.145 0.002 . 2 . . 46 . . 15 HIS HB2 . 27928 1 69 . 1 . 1 15 15 HIS HB3 H 1 3.250 0.002 . 2 . . 92 . . 15 HIS HB3 . 27928 1 70 . 1 . 1 15 15 HIS HD1 H 1 8.440 0.003 . 1 . . 85 . . 15 HIS HD1 . 27928 1 71 . 1 . 1 15 15 HIS HE1 H 1 7.296 0.002 . 1 . . 86 . . 15 HIS HE1 . 27928 1 72 . 1 . 1 16 16 LEU H H 1 8.203 0.004 . 1 . . 18 . . 16 LEU H . 27928 1 73 . 1 . 1 16 16 LEU HA H 1 4.319 0.001 . 1 . . 19 . . 16 LEU HA . 27928 1 74 . 1 . 1 16 16 LEU HB2 H 1 1.910 0.007 . 1 . . 20 . . 16 LEU HB2 . 27928 1 75 . 1 . 1 16 16 LEU HG H 1 1.664 0.003 . 1 . . 21 . . 16 LEU HG . 27928 1 76 . 1 . 1 16 16 LEU HD11 H 1 0.952 0.007 . 2 . . 22 . . 16 LEU HD11 . 27928 1 77 . 1 . 1 16 16 LEU HD12 H 1 0.952 0.007 . 2 . . 22 . . 16 LEU HD12 . 27928 1 78 . 1 . 1 16 16 LEU HD13 H 1 0.952 0.007 . 2 . . 22 . . 16 LEU HD13 . 27928 1 79 . 1 . 1 16 16 LEU HD21 H 1 0.923 . . 2 . . 95 . . 16 LEU HD21 . 27928 1 80 . 1 . 1 16 16 LEU HD22 H 1 0.923 . . 2 . . 95 . . 16 LEU HD22 . 27928 1 81 . 1 . 1 16 16 LEU HD23 H 1 0.923 . . 2 . . 95 . . 16 LEU HD23 . 27928 1 82 . 1 . 1 17 17 GLY H H 1 8.087 0.01 . 1 . . 27 . . 17 GLY H . 27928 1 83 . 1 . 1 17 17 GLY HA2 H 1 4.017 . . 1 . . 28 . . 17 GLY HA2 . 27928 1 84 . 1 . 1 18 18 SER H H 1 7.924 0.003 . 1 . . 41 . . 18 SER H . 27928 1 85 . 1 . 1 18 18 SER HA H 1 4.473 0.004 . 1 . . 43 . . 18 SER HA . 27928 1 86 . 1 . 1 18 18 SER HB2 H 1 3.962 0.001 . 1 . . 42 . . 18 SER HB2 . 27928 1 87 . 1 . 1 19 19 LEU H H 1 7.875 0.003 . 1 . . 54 . . 19 LEU H . 27928 1 88 . 1 . 1 19 19 LEU HA H 1 4.286 0.002 . 1 . . 55 . . 19 LEU HA . 27928 1 89 . 1 . 1 19 19 LEU HB2 H 1 1.818 . . 1 . . 56 . . 19 LEU HB2 . 27928 1 90 . 1 . 1 19 19 LEU HG H 1 1.622 0.001 . 1 . . 57 . . 19 LEU HG . 27928 1 91 . 1 . 1 19 19 LEU HD11 H 1 0.957 0.018 . 2 . . 58 . . 19 LEU HD11 . 27928 1 92 . 1 . 1 19 19 LEU HD12 H 1 0.957 0.018 . 2 . . 58 . . 19 LEU HD12 . 27928 1 93 . 1 . 1 19 19 LEU HD13 H 1 0.957 0.018 . 2 . . 58 . . 19 LEU HD13 . 27928 1 94 . 1 . 1 19 19 LEU HD21 H 1 0.901 . . 2 . . 65 . . 19 LEU HD21 . 27928 1 95 . 1 . 1 19 19 LEU HD22 H 1 0.901 . . 2 . . 65 . . 19 LEU HD22 . 27928 1 96 . 1 . 1 19 19 LEU HD23 H 1 0.901 . . 2 . . 65 . . 19 LEU HD23 . 27928 1 97 . 1 . 1 20 20 LYS H H 1 7.802 0.005 . 1 . . 59 . . 20 LYS H . 27928 1 98 . 1 . 1 20 20 LYS HA H 1 4.346 0.001 . 1 . . 60 . . 20 LYS HA . 27928 1 99 . 1 . 1 20 20 LYS HB2 H 1 1.750 . . 1 . . 61 . . 20 LYS HB2 . 27928 1 100 . 1 . 1 20 20 LYS HG2 H 1 1.486 0.003 . 1 . . 62 . . 20 LYS HG2 . 27928 1 101 . 1 . 1 20 20 LYS HE2 H 1 3.015 . . 1 . . 63 . . 20 LYS HE2 . 27928 1 102 . 1 . 1 21 21 ASP H H 1 8.184 0.007 . 1 . . 24 . . 21 ASP H . 27928 1 103 . 1 . 1 21 21 ASP HA H 1 4.613 0.002 . 1 . . 23 . . 21 ASP HA . 27928 1 104 . 1 . 1 21 21 ASP HB2 H 1 2.674 0.017 . 2 . . 96 . . 21 ASP HB2 . 27928 1 105 . 1 . 1 21 21 ASP HB3 H 1 2.743 0.0 . 2 . . 97 . . 21 ASP HB3 . 27928 1 106 . 1 . 1 22 22 LYS H H 1 7.741 0.004 . 1 . . 66 . . 22 LYS H . 27928 1 107 . 1 . 1 22 22 LYS HA H 1 4.153 0.002 . 1 . . 67 . . 22 LYS HA . 27928 1 108 . 1 . 1 22 22 LYS HB2 H 1 1.719 0.024 . 2 . . 68 . . 22 LYS HB2 . 27928 1 109 . 1 . 1 22 22 LYS HB3 H 1 1.837 . . 2 . . 71 . . 22 LYS HB3 . 27928 1 110 . 1 . 1 22 22 LYS HG2 H 1 1.420 0.0 . 1 . . 69 . . 22 LYS HG2 . 27928 1 111 . 1 . 1 22 22 LYS HE2 H 1 3.016 0.001 . 1 . . 70 . . 22 LYS HE2 . 27928 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 27928 _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 . . . . . . . 27928 1 2 . . H 1 1H . . 9803.92156863 . . . . . . . 27928 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27928 1 2 1.0 . . 27928 1 3 1.0 . . 27928 1 4 1.0 . . 27928 1 5 1.0 . . 27928 1 6 1.0 . . 27928 1 7 1.0 . . 27928 1 8 1.0 . . 27928 1 9 1.0 . . 27928 1 10 1.0 . . 27928 1 11 1.0 . . 27928 1 12 1.0 . . 27928 1 13 1.0 . . 27928 1 14 1.0 . . 27928 1 15 1.0 . . 27928 1 16 1.0 . . 27928 1 17 1.0 . . 27928 1 18 1.0 . . 27928 1 19 1.0 . . 27928 1 20 1.0 . . 27928 1 21 1.0 . . 27928 1 22 1.0 . . 27928 1 23 1.0 . . 27928 1 24 1.0 . . 27928 1 25 1.0 . . 27928 1 26 1.0 . . 27928 1 27 1.0 . . 27928 1 28 1.0 . . 27928 1 29 1.0 . . 27928 1 30 1.0 . . 27928 1 31 1.0 . . 27928 1 32 1.0 . . 27928 1 33 1.0 . . 27928 1 34 1.0 . . 27928 1 35 1.0 . . 27928 1 36 1.0 . . 27928 1 37 1.0 . . 27928 1 38 1.0 . . 27928 1 39 1.0 . . 27928 1 40 1.0 . . 27928 1 41 1.0 . . 27928 1 42 1.0 . . 27928 1 43 1.0 . . 27928 1 44 1.0 . . 27928 1 45 1.0 . . 27928 1 46 1.0 . . 27928 1 47 1.0 . . 27928 1 48 1.0 . . 27928 1 49 1.0 . . 27928 1 50 1.0 . . 27928 1 51 1.0 . . 27928 1 52 1.0 . . 27928 1 53 1.0 . . 27928 1 54 1.0 . . 27928 1 55 1.0 . . 27928 1 56 1.0 . . 27928 1 57 1.0 . . 27928 1 58 1.0 . . 27928 1 59 1.0 . . 27928 1 60 1.0 . . 27928 1 61 1.0 . . 27928 1 62 1.0 . . 27928 1 63 1.0 . . 27928 1 64 1.0 . . 27928 1 65 1.0 . . 27928 1 66 1.0 . . 27928 1 67 1.0 . . 27928 1 68 1.0 . . 27928 1 69 1.0 . . 27928 1 70 1.0 . . 27928 1 71 1.0 . . 27928 1 72 1.0 . . 27928 1 73 1.0 . . 27928 1 74 1.0 . . 27928 1 75 1.0 . . 27928 1 76 1.0 . . 27928 1 77 1.0 . . 27928 1 78 1.0 . . 27928 1 79 1.0 . . 27928 1 80 1.0 . . 27928 1 81 1.0 . . 27928 1 82 1.0 . . 27928 1 83 1.0 . . 27928 1 84 1.0 . . 27928 1 85 1.0 . . 27928 1 86 1.0 . . 27928 1 87 1.0 . . 27928 1 88 1.0 . . 27928 1 89 1.0 . . 27928 1 90 1.0 . . 27928 1 91 1.0 . . 27928 1 92 1.0 . . 27928 1 93 1.0 . . 27928 1 94 1.0 . . 27928 1 95 1.0 . . 27928 1 96 1.0 . . 27928 1 97 1.0 . . 27928 1 98 1.0 . . 27928 1 99 1.0 . . 27928 1 100 1.0 . . 27928 1 101 1.0 . . 27928 1 102 1.0 . . 27928 1 103 1.0 . . 27928 1 104 1.0 . . 27928 1 105 1.0 . . 27928 1 106 1.0 . . 27928 1 107 1.0 . . 27928 1 108 1.0 . . 27928 1 109 1.0 . . 27928 1 110 1.0 . . 27928 1 111 1.0 . . 27928 1 112 1.0 . . 27928 1 113 1.0 . . 27928 1 114 1.0 . . 27928 1 115 1.0 . . 27928 1 116 1.0 . . 27928 1 117 1.0 . . 27928 1 118 1.0 . . 27928 1 119 1.0 . . 27928 1 120 1.0 . . 27928 1 121 1.0 . . 27928 1 122 1.0 . . 27928 1 123 1.0 . . 27928 1 124 1.0 . . 27928 1 125 1.0 . . 27928 1 126 1.0 . . 27928 1 127 1.0 . . 27928 1 128 1.0 . . 27928 1 129 1.0 . . 27928 1 130 1.0 . . 27928 1 131 1.0 . . 27928 1 132 1.0 . . 27928 1 133 1.0 . . 27928 1 134 1.0 . . 27928 1 135 1.0 . . 27928 1 136 1.0 . . 27928 1 137 1.0 . . 27928 1 138 1.0 . . 27928 1 139 1.0 . . 27928 1 140 1.0 . . 27928 1 141 1.0 . . 27928 1 142 1.0 . . 27928 1 143 1.0 . . 27928 1 144 1.0 . . 27928 1 145 1.0 . . 27928 1 146 1.0 . . 27928 1 147 1.0 . . 27928 1 148 1.0 . . 27928 1 149 1.0 . . 27928 1 150 1.0 . . 27928 1 151 1.0 . . 27928 1 152 1.0 . . 27928 1 153 1.0 . . 27928 1 154 1.0 . . 27928 1 155 1.0 . . 27928 1 156 1.0 . . 27928 1 157 1.0 . . 27928 1 158 1.0 . . 27928 1 159 1.0 . . 27928 1 160 1.0 . . 27928 1 161 1.0 . . 27928 1 162 1.0 . . 27928 1 163 1.0 . . 27928 1 164 1.0 . . 27928 1 165 1.0 . . 27928 1 166 1.0 . . 27928 1 167 1.0 . . 27928 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 2328396.50 . height 27928 1 1 17669155.50 . volume 27928 1 2 23457.25 . height 27928 1 2 177784.25 . volume 27928 1 3 400418.25 . height 27928 1 3 3192593.00 . volume 27928 1 4 671889.25 . height 27928 1 4 5297123.25 . volume 27928 1 5 508535.75 . height 27928 1 5 3932409.75 . volume 27928 1 6 757728.75 . height 27928 1 6 5914733.00 . volume 27928 1 7 234068.75 . height 27928 1 7 1825103.00 . volume 27928 1 8 456431.75 . height 27928 1 8 3551660.50 . volume 27928 1 9 289450.00 . height 27928 1 9 2268188.75 . volume 27928 1 10 214264.75 . height 27928 1 10 1660934.00 . volume 27928 1 11 1355369.25 . height 27928 1 11 10619972.50 . volume 27928 1 12 555800.00 . height 27928 1 12 4568691.00 . volume 27928 1 13 212570.50 . height 27928 1 13 1648306.25 . volume 27928 1 14 125016.00 . height 27928 1 14 1039218.75 . volume 27928 1 15 946935.50 . height 27928 1 15 7475828.25 . volume 27928 1 16 98115.25 . height 27928 1 16 772045.75 . volume 27928 1 17 76882.50 . height 27928 1 17 599893.25 . volume 27928 1 18 160455.00 . height 27928 1 18 1306784.25 . volume 27928 1 19 91992.50 . height 27928 1 19 723908.25 . volume 27928 1 20 104773.50 . height 27928 1 20 831009.00 . volume 27928 1 21 37397.00 . height 27928 1 21 301375.00 . volume 27928 1 22 60815.75 . height 27928 1 22 486076.00 . volume 27928 1 23 34491.75 . height 27928 1 23 275021.25 . volume 27928 1 24 18660.25 . height 27928 1 24 149774.50 . volume 27928 1 25 34143.50 . height 27928 1 25 252783.75 . volume 27928 1 26 13530.00 . height 27928 1 26 100178.50 . volume 27928 1 27 22474.25 . height 27928 1 27 175924.75 . volume 27928 1 28 99546.00 . height 27928 1 28 793870.00 . volume 27928 1 29 21071.50 . height 27928 1 29 170202.50 . volume 27928 1 30 32417.75 . height 27928 1 30 250791.25 . volume 27928 1 31 224640.75 . height 27928 1 31 1805163.00 . volume 27928 1 32 144688.25 . height 27928 1 32 1118492.00 . volume 27928 1 33 251239.25 . height 27928 1 33 1955622.25 . volume 27928 1 34 81543.00 . height 27928 1 34 602893.50 . volume 27928 1 35 76705.75 . height 27928 1 35 612777.50 . volume 27928 1 36 28022.50 . height 27928 1 36 231131.00 . volume 27928 1 37 46387.75 . height 27928 1 37 372573.50 . volume 27928 1 38 175581.75 . height 27928 1 38 1448718.50 . volume 27928 1 39 105262.50 . height 27928 1 39 850684.75 . volume 27928 1 40 54724.25 . height 27928 1 40 470956.50 . volume 27928 1 41 58149.50 . height 27928 1 41 458639.00 . volume 27928 1 42 203439.75 . height 27928 1 42 1594130.00 . volume 27928 1 43 112208.00 . height 27928 1 43 893718.00 . volume 27928 1 44 19737.50 . height 27928 1 44 162655.25 . volume 27928 1 45 207392.50 . height 27928 1 45 1614107.50 . volume 27928 1 46 14216.75 . height 27928 1 46 105399.25 . volume 27928 1 47 14915.00 . height 27928 1 47 114952.00 . volume 27928 1 48 136592.75 . height 27928 1 48 1070607.50 . volume 27928 1 49 55023.75 . height 27928 1 49 422630.00 . volume 27928 1 50 119447.75 . height 27928 1 50 939273.50 . volume 27928 1 51 59828.75 . height 27928 1 51 478988.50 . volume 27928 1 52 1067865.25 . height 27928 1 52 8180291.00 . volume 27928 1 53 910105.50 . height 27928 1 53 7204733.50 . volume 27928 1 54 43714.25 . height 27928 1 54 350073.50 . volume 27928 1 55 20221.50 . height 27928 1 55 167084.50 . volume 27928 1 56 70570.75 . height 27928 1 56 541200.25 . volume 27928 1 57 82819.50 . height 27928 1 57 645973.25 . 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_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 7.155 . 11.6740371667 . . . . . . . . . . . 27928 1 1 2 10.607 . 79.3818457454 . . . . . . . . . . . 27928 1 2 1 7.795 . 16.0874104967 . . . . . . . . . . . 27928 1 2 2 4.767 . 71.0320823333 . . . . . . . . . . . 27928 1 3 1 8.188 . 17.8127312193 . . . . . . . . . . . 27928 1 3 2 4.613 . 81.6168738346 . . . . . . . . . . . 27928 1 4 1 7.925 . 16.0657892040 . . . . . . . . . . . 27928 1 4 2 4.467 . 83.0368668425 . . . . . . . . . . . 27928 1 5 1 8.353 . 14.8075176220 . . . . . . . . . . . 27928 1 5 2 4.359 . 77.5473959306 . . . . . . . . . . . 27928 1 6 1 7.805 . 15.6333633498 . . . . . . . . . . . 27928 1 6 2 4.345 . 78.2211621602 . . . . . . . . . . . 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70.9786134608 . . . . . . . . . . . 27928 1 104 1 7.877 . 15.4948702046 . . . . . . . . . . . 27928 1 104 2 1.818 . 77.0758180057 . . . . . . . . . . . 27928 1 105 1 7.877 . 15.9530078664 . . . . . . . . . . . 27928 1 105 2 1.623 . 74.2054453083 . . . . . . . . . . . 27928 1 106 1 7.877 . 15.6637500314 . . . . . . . . . . . 27928 1 106 2 0.939 . 105.5066492040 . . . . . . . . . . . 27928 1 107 1 7.805 . 15.3975743873 . . . . . . . . . . . 27928 1 107 2 3.015 . 78.5624279695 . . . . . . . . . . . 27928 1 108 1 7.805 . 15.2573281643 . . . . . . . . . . . 27928 1 108 2 1.750 . 180.7055052590 . . . . . . . . . . . 27928 1 109 1 7.805 . 15.5451251011 . . . . . . . . . . . 27928 1 109 2 1.490 . 80.9080460492 . . . . . . . . . . . 27928 1 110 1 4.347 . 21.2835330589 . . . . . . . . . . . 27928 1 110 2 7.799 . 78.3321904201 . . . . . . . . . . . 27928 1 111 1 1.889 . 24.4758877100 . . . . . . . . . . . 27928 1 111 2 7.804 . 73.8291179433 . . . . . . . . . . . 27928 1 112 1 1.487 . 28.0130143259 . . . . . . . . . . . 27928 1 112 2 7.799 . 79.9143431233 . . . . . . . . . . . 27928 1 113 1 4.288 . 23.6396696053 . . . . . . . . . . . 27928 1 113 2 7.871 . 75.4527601541 . . . . . . . . . . . 27928 1 114 1 1.621 . 28.0959933412 . . . . . . . . . . . 27928 1 114 2 7.870 . 80.5951216642 . . . . . . . . . . . 27928 1 115 1 0.976 . 14.6656644111 . . . . . . . . . . . 27928 1 115 2 7.873 . 79.0909809225 . . . . . . . . . . . 27928 1 116 1 0.901 . 13.7745165357 . . . . . . . . . . . 27928 1 116 2 7.873 . 78.1595122580 . . . . . . . . . . . 27928 1 117 1 7.741 . 15.1200037377 . . . . . . . . . . . 27928 1 117 2 3.016 . 78.4549058652 . . . . . . . . . . . 27928 1 118 1 7.741 . 15.3143031924 . . . . . . . . . . . 27928 1 118 2 1.719 . 148.8105923520 . . . . . . . . . . . 27928 1 119 1 7.741 . 15.3861793817 . . . . . . . . . . . 27928 1 119 2 1.420 . 82.1106574115 . . . . . . . . . . . 27928 1 120 1 4.154 . 21.0889414245 . . . . . . . . . . . 27928 1 120 2 7.736 . 78.3786469815 . . . . . . . . . . . 27928 1 121 1 3.015 . 22.5001690434 . . . . . . . . . . . 27928 1 121 2 7.752 . 91.0326546314 . . . . . . . . . . . 27928 1 122 1 1.749 . 26.9687643238 . . . . . . . . . . . 27928 1 122 2 7.736 . 80.0136841980 . . . . . . . . . . . 27928 1 123 1 1.690 . 27.1347223544 . . . . . . . . . . . 27928 1 123 2 7.740 . 82.8077980116 . . . . . . . . . . . 27928 1 124 1 1.421 . 28.7165828780 . . . . . . . . . . . 27928 1 124 2 7.735 . 79.3656297759 . . . . . . . . . . . 27928 1 128 1 8.250 . 16.1467229619 . . . . . . . . . . . 27928 1 128 2 2.925 . 94.3185067644 . . . . . . . . . . . 27928 1 130 1 3.868 . 19.0693958133 . . . . . . . . . . . 27928 1 130 2 4.631 . 77.7016667759 . . . . . . . . . . . 27928 1 131 1 2.559 . 23.9078905068 . . . . . . . . . . . 27928 1 131 2 4.627 . 79.9210632549 . . . . . . . . . . . 27928 1 132 1 8.443 . 12.2605877764 . . . . . . . . . . . 27928 1 132 2 7.293 . 77.8278883766 . . . . . . . . . . . 27928 1 133 1 7.298 . 11.6711153704 . . . . . . . . . . . 27928 1 133 2 8.437 . 76.6929165990 . . . . . . . . . . . 27928 1 134 1 7.949 . 17.3911160114 . . . . . . . . . . . 27928 1 134 2 2.208 . 143.4607833040 . . . . . . . . . . . 27928 1 135 1 3.963 . 18.1800010158 . . . . . . . . . . . 27928 1 135 2 2.208 . 151.1725724910 . . . . . . . . . . . 27928 1 136 1 3.252 . 24.4349825616 . . . . . . . . . . . 27928 1 136 2 7.910 . 83.8096819672 . . . . . . . . . . . 27928 1 137 1 2.587 . 25.6527872647 . . . . . . . . . . . 27928 1 137 2 7.991 . 77.8273040173 . . . . . . . . . . . 27928 1 139 1 1.014 . 14.6078128441 . . . . . . . . . . . 27928 1 139 2 4.229 . 77.4948035969 . . . . . . . . . . . 27928 1 140 1 1.565 . 66.8968640122 . . . . . . . . . . . 27928 1 140 2 4.237 . 81.7670541651 . . . . . . . . . . . 27928 1 141 1 4.230 . 18.6638504851 . . . . . . . . . . . 27928 1 141 2 1.016 . 79.5266207527 . . . . . . . . . . . 27928 1 142 1 4.237 . 23.2808730182 . . . . . . . . . . . 27928 1 142 2 1.550 . 89.4706623227 . . . . . . . . . . . 27928 1 143 1 4.235 . 21.7837445876 . . . . . . . . . . . 27928 1 143 2 1.814 . 101.9011525550 . . . . . . . . . . . 27928 1 144 1 4.241 . 22.5714608735 . . . . . . . . . . . 27928 1 144 2 3.027 . 80.9787535200 . . . . . . . . . . . 27928 1 145 1 2.367 . 33.7759653727 . . . . . . . . . . . 27928 1 145 2 4.006 . 79.5418140935 . . . . . . . . . . . 27928 1 146 1 2.652 . 21.5459103678 . . . . . . . . . . . 27928 1 146 2 4.359 . 79.9473594217 . . . . . . . . . . . 27928 1 147 1 2.607 . 20.1434481378 . . . . . . . . . . . 27928 1 147 2 4.359 . 79.1158161911 . . . . . . . . . . . 27928 1 148 1 2.012 . 28.5313409917 . . . . . . . . . . . 27928 1 148 2 3.701 . 83.2145120583 . . . . . . . . . . . 27928 1 149 1 1.019 . 15.5679151124 . . . . . . . . . . . 27928 1 149 2 3.699 . 81.1639954062 . . . . . . . . . . . 27928 1 150 1 0.879 . 15.9325552922 . . . . . . . . . . . 27928 1 150 2 3.700 . 79.9011950399 . . . . . . . . . . . 27928 1 151 1 2.742 . 13.3274816999 . . . . . . . . . . . 27928 1 151 2 4.612 . 77.4778571783 . . . . . . . . . . . 27928 1 152 1 2.662 . 20.4145908356 . . . . . . . . . . . 27928 1 152 2 4.611 . 78.8890847973 . . . . . . . . . . . 27928 1 153 1 3.257 . 24.5033525953 . . . . . . . . . . . 27928 1 153 2 4.407 . 172.7389354330 . . . . . . . . . . . 27928 1 154 1 6.895 . 13.8431787491 . . . . . . . . . . . 27928 1 154 2 7.149 . 78.8075666802 . . . . . . . . . . . 27928 1 155 1 7.064 . 23.8596808677 . . . . . . . . . . . 27928 1 155 2 7.409 . 116.4110852220 . . . . . . . . . . . 27928 1 156 1 6.975 . 23.8874379326 . . . . . . . . . . . 27928 1 156 2 7.450 . 120.7379733810 . . . . . . . . . . . 27928 1 157 1 7.394 . 13.8861291549 . . . . . . . . . . . 27928 1 157 2 7.472 . 87.2737636753 . . . . . . . . . . . 27928 1 158 1 6.759 . 23.3837202484 . . . . . . . . . . . 27928 1 158 2 7.128 . 83.6218104643 . . . . . . . . . . . 27928 1 159 1 7.388 . 22.6129503811 . . . . . . . . . . . 27928 1 159 2 7.053 . 95.0109724905 . . . . . . . . . . . 27928 1 163 1 8.204 . 27.7144067428 . . . . . . . . . . . 27928 1 163 2 4.537 . 147.1612383340 . . . . . . . . . . . 27928 1 164 1 7.740 . 16.2562903236 . . . . . . . . . . . 27928 1 164 2 3.972 . 41.2487516216 . . . . . . . . . . . 27928 1 165 1 7.741 . 14.9096344032 . . . . . . . . . . . 27928 1 165 2 2.033 . 53.5734728271 . . . . . . . . . . . 27928 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 3 . . 7.155 . . 1 . 1 1 5 TRP HD1 . . . . . . . . . . 100 . 27928 1 1 2 2 . . 10.607 . . 1 . 1 1 5 TRP HE1 . . . . . . . . . . 99 . 27928 1 2 1 1 . . 7.795 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 2 2 1 . . 4.767 . . 1 . 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 1 3 1 2 . . 8.188 . . 1 . 1 1 21 ASP H . . . . . . . . . . 24 . 27928 1 3 2 1 . . 4.613 . . 1 . 1 1 21 ASP HA . . . . . . . . . . 23 . 27928 1 4 1 1 . . 7.925 . . 1 . 1 1 18 SER H . . . . . . . . . . 41 . 27928 1 4 2 1 . . 4.467 . . 1 . 1 1 18 SER HA . . . . . . . . . . 43 . 27928 1 5 1 1 . . 8.353 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 5 2 1 . . 4.359 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 6 1 1 . . 7.805 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 6 2 1 . . 4.345 . . 1 . 1 1 20 LYS HA . . . . . . . . . . 60 . 27928 1 7 1 1 . . 8.206 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 7 2 1 . . 4.319 . . 1 . 1 1 16 LEU HA . . . . . . . . . . 19 . 27928 1 8 1 1 . . 7.877 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 8 2 1 . . 4.284 . . 1 . 1 1 19 LEU HA . . . . . . . . . . 55 . 27928 1 9 1 2 . . 8.977 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 9 2 2 . . 4.239 . . 1 . 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 10 1 1 . . 8.824 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 10 2 1 . . 4.229 . . 1 . 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 11 1 1 . . 7.741 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 11 2 1 . . 4.151 . . 1 . 1 1 22 LYS HA . . . . . . . . . . 67 . 27928 1 12 1 1 . . 7.996 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 12 2 1 . . 4.066 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 30 . 27928 1 13 1 1 . . 8.368 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 13 2 1 . . 4.003 . . 1 . 1 1 13 GLN HA . . . . . . . . . . 10 . 27928 1 14 1 1 . . 8.088 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 1 14 2 1 . . 4.017 . . 1 . 1 1 17 GLY HA2 . . . . . . . . . . 28 . 27928 1 15 1 1 . . 7.925 . . 1 . 1 1 18 SER H . . . . . . . . . . 41 . 27928 1 15 2 1 . . 3.963 . . 1 . 1 1 18 SER HB2 . . . . . . . . . . 42 . 27928 1 16 1 1 . . 8.302 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 16 2 1 . . 3.698 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 17 1 3 . . 8.977 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 17 2 2 . . 3.026 . . 1 . 1 1 3 LYS HE2 . . . . . . . . . . 77 . 27928 1 18 1 3 . . 8.977 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 18 2 2 . . 1.820 . . 1 . 1 1 3 LYS HB2 . . . . . . . . . . 76 . 27928 1 19 1 2 . . 8.977 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 19 2 2 . . 1.538 . . 1 . 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 1 20 1 2 . . 4.243 . . 1 . 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 20 2 2 . . 8.971 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 21 1 2 . . 3.031 . . 1 . 1 1 3 LYS HE2 . . . . . . . . . . 77 . 27928 1 21 2 2 . . 8.969 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 22 1 2 . . 1.838 . . 1 . 1 1 3 LYS HB2 . . . . . . . . . . 76 . 27928 1 22 2 2 . . 8.973 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 23 1 2 . . 1.748 . . 1 . 1 1 3 LYS HB3 . . . . . . . . . . 79 . 27928 1 23 2 2 . . 8.972 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 24 1 2 . . 1.550 . . 1 . 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 1 24 2 2 . . 8.975 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 1 25 1 1 . . 8.826 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 25 2 1 . . 1.819 . . 1 . 1 1 4 LEU HB2 . . . . . . . . . . 3 . 27928 1 26 1 1 . . 8.825 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 26 2 1 . . 1.607 . . 1 . 1 1 4 LEU HG . . . . . . . . . . 4 . 27928 1 27 1 1 . . 8.821 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 27 2 1 . . 1.016 . . 1 . 1 1 4 LEU MD1 . . . . . . . . . . 5 . 27928 1 28 1 1 . . 4.232 . . 1 . 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 28 2 1 . . 8.817 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 29 1 1 . . 1.823 . . 1 . 1 1 4 LEU HB2 . . . . . . . . . . 3 . 27928 1 29 2 1 . . 8.809 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 30 1 1 . . 1.013 . . 1 . 1 1 4 LEU MD1 . . . . . . . . . . 5 . 27928 1 30 2 1 . . 8.820 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 1 31 1 1 . . 8.354 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 31 2 1 . . 2.634 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 1 32 1 1 . . 4.360 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 32 2 1 . . 8.346 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 33 1 1 . . 4.006 . . 1 . 1 1 13 GLN HA . . . . . . . . . . 10 . 27928 1 33 2 1 . . 8.361 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 34 1 1 . . 2.650 . . 1 . 1 1 10 ASP HB3 . . . . . . . . . . 94 . 27928 1 34 2 1 . . 8.359 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 35 1 1 . . 2.607 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 1 35 2 1 . . 8.345 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 1 36 1 1 . . 2.385 . . 1 . 1 1 13 GLN HG2 . . . . . . . . . . 12 . 27928 1 36 2 2 . . 8.356 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 37 1 1 . . 2.257 . . 1 . 1 1 13 GLN HB2 . . . . . . . . . . 11 . 27928 1 37 2 1 . . 8.366 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 38 1 1 . . 4.360 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 38 2 1 . . 2.625 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 1 39 1 1 . . 8.368 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 39 2 1 . . 2.252 . . 1 . 1 1 13 GLN HB2 . . . . . . . . . . 11 . 27928 1 40 1 1 . . 8.368 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 1 40 2 1 . . 2.376 . . 1 . 1 1 13 GLN HG2 . . . . . . . . . . 12 . 27928 1 41 1 1 . . 8.301 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 41 2 1 . . 2.018 . . 1 . 1 1 12 ILE HB . . . . . . . . . . 15 . 27928 1 42 1 1 . . 8.301 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 42 2 1 . . 1.024 . . 1 . 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 1 43 1 1 . . 3.699 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 43 2 1 . . 8.294 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 44 1 1 . . 2.020 . . 1 . 1 1 12 ILE HB . . . . . . . . . . 15 . 27928 1 44 2 1 . . 8.289 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 45 1 2 . . 1.019 . . 1 . 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 1 45 2 1 . . 8.293 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 46 1 1 . . 0.877 . . 1 . 1 1 12 ILE MD . . . . . . . . . . 17 . 27928 1 46 2 1 . . 8.293 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 47 1 1 . . 8.299 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 1 47 2 1 . . 0.864 . . 1 . 1 1 12 ILE MD . . . . . . . . . . 17 . 27928 1 48 1 1 . . 8.206 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 48 2 1 . . 1.910 . . 1 . 1 1 16 LEU HB2 . . . . . . . . . . 20 . 27928 1 49 1 1 . . 8.206 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 49 2 1 . . 1.661 . . 1 . 1 1 16 LEU HG . . . . . . . . . . 21 . 27928 1 50 1 1 . . 8.205 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 50 2 1 . . 0.947 . . 1 . 1 1 16 LEU MD1 . . . . . . . . . . 22 . 27928 1 51 1 1 . . 4.320 . . 1 . 1 1 16 LEU HA . . . . . . . . . . 19 . 27928 1 51 2 1 . . 8.199 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 52 1 3 . . 2.743 . . 1 . 1 1 21 ASP HB3 . . . . . . . . . . 97 . 27928 1 52 2 2 . . 8.183 . . 1 . 1 1 21 ASP H . . . . . . . . . . 24 . 27928 1 53 1 2 . . 2.661 . . 1 . 1 1 21 ASP HB2 . . . . . . . . . . 96 . 27928 1 53 2 3 . . 8.183 . . 1 . 1 1 21 ASP H . . . . . . . . . . 24 . 27928 1 54 1 1 . . 1.919 . . 1 . 1 1 16 LEU HB2 . . . . . . . . . . 20 . 27928 1 54 2 1 . . 8.199 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 55 1 1 . . 1.668 . . 1 . 1 1 16 LEU HG . . . . . . . . . . 21 . 27928 1 55 2 1 . . 8.197 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 56 1 1 . . 0.961 . . 1 . 1 1 16 LEU MD1 . . . . . . . . . . 22 . 27928 1 56 2 1 . . 8.197 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 57 1 2 . . 0.923 . . 1 . 1 1 16 LEU MD2 . . . . . . . . . . 95 . 27928 1 57 2 1 . . 8.197 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 58 1 1 . . 8.188 . . 1 . 1 1 21 ASP H . . . . . . . . . . 24 . 27928 1 58 2 1 . . 2.698 . . 1 . 1 1 21 ASP HB2 . . . . . . . . . . 96 . 27928 1 59 1 1 . . 7.992 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 59 2 1 . . 2.914 . . 1 . 1 1 14 LYS HE2 . . . . . . . . . . 31 . 27928 1 60 1 2 . . 7.996 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 60 2 2 . . 2.548 . . 1 . 1 1 11 GLN HG2 . . . . . . . . . . 83 . 27928 1 61 1 2 . . 7.996 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 61 2 1 . . 2.245 . . 1 . 1 1 11 GLN HB2 . . . . . . . . . . 33 . 27928 1 62 1 2 . . 8.003 . . 1 . 1 1 7 GLU H . . . . . . . . . . 39 . 27928 1 62 2 2 . . 2.115 . . 1 . 1 1 7 GLU HG2 . . . . . . . . . . 91 . 27928 1 63 1 1 . . 8.000 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 63 2 1 . . 1.889 . . 1 . 1 1 14 LYS HB2 . . . . . . . . . . 35 . 27928 1 64 1 1 . . 7.998 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 64 2 1 . . 1.542 . . 1 . 1 1 14 LYS HB3 . . . . . . . . . . 36 . 27928 1 65 1 1 . . 7.993 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 65 2 1 . . 1.288 . . 1 . 1 1 14 LYS HG2 . . . . . . . . . . 80 . 27928 1 66 1 1 . . 4.062 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 30 . 27928 1 66 2 1 . . 7.988 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 67 1 1 . . 4.130 . . 1 . 1 1 11 GLN HA . . . . . . . . . . 38 . 27928 1 67 2 2 . . 7.991 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 68 1 1 . . 4.026 . . 1 . 1 1 7 GLU HA . . . . . . . . . . 40 . 27928 1 68 2 1 . . 8.010 . . 1 . 1 1 7 GLU H . . . . . . . . . . 39 . 27928 1 69 1 1 . . 2.912 . . 1 . 1 1 14 LYS HE2 . . . . . . . . . . 31 . 27928 1 69 2 1 . . 7.990 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 1 70 1 1 . . 2.110 . . 1 . 1 1 7 GLU HG2 . . . . . . . . . . 91 . 27928 1 70 2 1 . . 7.979 . . 1 . 1 1 7 GLU H . . . . . . . . . . 39 . 27928 1 71 1 1 . . 7.988 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 71 2 1 . . 4.130 . . 1 . 1 1 11 GLN HA . . . . . . . . . . 38 . 27928 1 72 1 1 . . 8.012 . . 1 . 1 1 7 GLU H . . . . . . . . . . 39 . 27928 1 72 2 1 . . 4.025 . . 1 . 1 1 7 GLU HA . . . . . . . . . . 40 . 27928 1 90 1 1 . . 7.904 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 1 90 2 1 . . 3.145 . . 1 . 1 1 15 HIS HB2 . . . . . . . . . . 46 . 27928 1 91 1 1 . . 3.143 . . 1 . 1 1 15 HIS HB2 . . . . . . . . . . 46 . 27928 1 91 2 1 . . 7.896 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 1 92 1 1 . . 4.477 . . 1 . 1 1 18 SER HA . . . . . . . . . . 43 . 27928 1 92 2 1 . . 7.919 . . 1 . 1 1 18 SER H . . . . . . . . . . 41 . 27928 1 93 1 1 . . 3.961 . . 1 . 1 1 18 SER HB2 . . . . . . . . . . 42 . 27928 1 93 2 1 . . 7.929 . . 1 . 1 1 18 SER H . . . . . . . . . . 41 . 27928 1 94 1 1 . . 7.932 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 1 94 2 1 . . 3.348 . . 1 . 1 1 5 TRP HB2 . . . . . . . . . . 48 . 27928 1 95 1 1 . . 3.351 . . 1 . 1 1 5 TRP HB2 . . . . . . . . . . 48 . 27928 1 95 2 1 . . 7.932 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 1 96 1 1 . . 3.350 . . 1 . 1 1 5 TRP HB2 . . . . . . . . . . 48 . 27928 1 96 2 1 . . 4.416 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 1 97 1 1 . . 7.929 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 1 97 2 1 . . 4.416 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 1 99 1 1 . . 7.907 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 1 99 2 1 . . 4.550 . . 1 . 1 1 15 HIS HA . . . . . . . . . . 45 . 27928 1 100 1 2 . . 7.799 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 100 2 1 . . 3.194 . . 1 . 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 1 101 1 1 . . 7.794 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 101 2 1 . . 2.741 . . 1 . 1 1 8 TYR HB3 . . . . . . . . . . 53 . 27928 1 102 1 1 . . 3.206 . . 1 . 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 1 102 2 1 . . 7.782 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 103 1 1 . . 2.721 . . 1 . 1 1 8 TYR HB3 . . . . . . . . . . 53 . 27928 1 103 2 1 . . 7.791 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 1 104 1 1 . . 7.877 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 104 2 1 . . 1.818 . . 1 . 1 1 19 LEU HB2 . . . . . . . . . . 56 . 27928 1 105 1 1 . . 7.877 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 105 2 1 . . 1.623 . . 1 . 1 1 19 LEU HG . . . . . . . . . . 57 . 27928 1 106 1 1 . . 7.877 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 106 2 1 . . 0.939 . . 1 . 1 1 19 LEU MD1 . . . . . . . . . . 58 . 27928 1 107 1 1 . . 7.805 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 107 2 1 . . 3.015 . . 1 . 1 1 20 LYS HE2 . . . . . . . . . . 63 . 27928 1 108 1 1 . . 7.805 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 108 2 1 . . 1.750 . . 1 . 1 1 20 LYS HB2 . . . . . . . . . . 61 . 27928 1 109 1 1 . . 7.805 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 109 2 1 . . 1.490 . . 1 . 1 1 20 LYS HG2 . . . . . . . . . . 62 . 27928 1 110 1 1 . . 4.347 . . 1 . 1 1 20 LYS HA . . . . . . . . . . 60 . 27928 1 110 2 1 . . 7.799 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 111 1 1 . . 1.889 . . 1 . . . . . . . . . . . . . . . . 64 . 27928 1 111 2 1 . . 7.804 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 112 1 1 . . 1.487 . . 1 . 1 1 20 LYS HG2 . . . . . . . . . . 62 . 27928 1 112 2 1 . . 7.799 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 1 113 1 1 . . 4.288 . . 1 . 1 1 19 LEU HA . . . . . . . . . . 55 . 27928 1 113 2 1 . . 7.871 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 114 1 1 . . 1.621 . . 1 . 1 1 19 LEU HG . . . . . . . . . . 57 . 27928 1 114 2 1 . . 7.870 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 115 1 1 . . 0.976 . . 1 . 1 1 19 LEU MD1 . . . . . . . . . . 58 . 27928 1 115 2 1 . . 7.873 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 116 1 1 . . 0.901 . . 1 . 1 1 19 LEU MD2 . . . . . . . . . . 65 . 27928 1 116 2 1 . . 7.873 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 1 117 1 1 . . 7.741 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 117 2 1 . . 3.016 . . 1 . 1 1 22 LYS HE2 . . . . . . . . . . 70 . 27928 1 118 1 1 . . 7.741 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 118 2 1 . . 1.719 . . 1 . 1 1 22 LYS HB2 . . . . . . . . . . 68 . 27928 1 119 1 1 . . 7.741 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 119 2 1 . . 1.420 . . 1 . 1 1 22 LYS HG2 . . . . . . . . . . 69 . 27928 1 120 1 1 . . 4.154 . . 1 . 1 1 22 LYS HA . . . . . . . . . . 67 . 27928 1 120 2 1 . . 7.736 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 121 1 1 . . 3.015 . . 1 . 1 1 22 LYS HE2 . . . . . . . . . . 70 . 27928 1 121 2 1 . . 7.752 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 122 1 1 . . 1.749 . . 1 . 1 1 22 LYS HB2 . . . . . . . . . . 68 . 27928 1 122 2 1 . . 7.736 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 123 1 1 . . 1.690 . . 1 . 1 1 22 LYS HB2 . . . . . . . . . . 68 . 27928 1 123 2 1 . . 7.740 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 124 1 1 . . 1.421 . . 1 . 1 1 22 LYS HG2 . . . . . . . . . . 69 . 27928 1 124 2 1 . . 7.735 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 1 128 1 1 . . 8.250 . . 1 . 1 1 9 GLY H . . . . . . . . . . 108 . 27928 1 128 2 1 . . 2.925 . . 1 . 1 1 9 GLY HA2 . . . . . . . . . . 109 . 27928 1 130 1 1 . . 3.868 . . 1 . 1 1 2 PRO HD2 . . . . . . . . . . 84 . 27928 1 130 2 1 . . 4.631 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 82 . 27928 1 131 1 1 . . 2.559 . . 1 . 1 1 2 PRO HB2 . . . . . . . . . . 32 . 27928 1 131 2 1 . . 4.627 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 82 . 27928 1 132 1 1 . . 8.443 . . 1 . 1 1 15 HIS HD1 . . . . . . . . . . 85 . 27928 1 132 2 1 . . 7.293 . . 1 . 1 1 15 HIS HE1 . . . . . . . . . . 86 . 27928 1 133 1 1 . . 7.298 . . 1 . 1 1 15 HIS HE1 . . . . . . . . . . 86 . 27928 1 133 2 1 . . 8.437 . . 1 . 1 1 15 HIS HD1 . . . . . . . . . . 85 . 27928 1 134 1 1 . . 7.949 . . 1 . . . . . . . . . . . . . . . . 88 . 27928 1 134 2 1 . . 2.208 . . 1 . . . . . . . . . . . . . . . . 89 . 27928 1 135 1 1 . . 3.963 . . 1 . . . . . . . . . . . . . . . . 90 . 27928 1 135 2 1 . . 2.208 . . 1 . . . . . . . . . . . . . . . . 89 . 27928 1 136 1 1 . . 3.252 . . 1 . 1 1 15 HIS HB3 . . . . . . . . . . 92 . 27928 1 136 2 1 . . 7.910 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 1 137 1 1 . . 2.587 . . 1 . 1 1 11 GLN HG2 . . . . . . . . . . 83 . 27928 1 137 2 1 . . 7.991 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 1 139 1 1 . . 1.014 . . 1 . 1 1 4 LEU MD1 . . . . . . . . . . 5 . 27928 1 139 2 1 . . 4.229 . . 1 . 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 140 1 1 . . 1.565 . . 1 . 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 1 140 2 1 . . 4.237 . . 1 . 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 141 1 1 . . 4.230 . . 1 . 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 141 2 1 . . 1.016 . . 1 . 1 1 4 LEU MD1 . . . . . . . . . . 5 . 27928 1 142 1 1 . . 4.237 . . 1 . 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 142 2 1 . . 1.550 . . 1 . 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 1 143 1 1 . . 4.235 . . 1 . 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 1 143 2 1 . . 1.814 . . 1 . 1 1 4 LEU HB2 . . . . . . . . . . 3 . 27928 1 144 1 1 . . 4.241 . . 1 . 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 1 144 2 1 . . 3.027 . . 1 . 1 1 3 LYS HE2 . . . . . . . . . . 77 . 27928 1 145 1 1 . . 2.367 . . 1 . 1 1 13 GLN HG2 . . . . . . . . . . 12 . 27928 1 145 2 1 . . 4.006 . . 1 . 1 1 13 GLN HA . . . . . . . . . . 10 . 27928 1 146 1 1 . . 2.652 . . 1 . 1 1 10 ASP HB3 . . . . . . . . . . 94 . 27928 1 146 2 1 . . 4.359 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 147 1 1 . . 2.607 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 1 147 2 1 . . 4.359 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 1 148 1 1 . . 2.012 . . 1 . 1 1 12 ILE HB . . . . . . . . . . 15 . 27928 1 148 2 1 . . 3.701 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 149 1 1 . . 1.019 . . 1 . 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 1 149 2 1 . . 3.699 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 150 1 1 . . 0.879 . . 1 . 1 1 12 ILE MD . . . . . . . . . . 17 . 27928 1 150 2 1 . . 3.700 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 1 151 1 1 . . 2.742 . . 1 . 1 1 21 ASP HB3 . . . . . . . . . . 97 . 27928 1 151 2 1 . . 4.612 . . 1 . 1 1 21 ASP HA . . . . . . . . . . 23 . 27928 1 152 1 1 . . 2.662 . . 1 . 1 1 21 ASP HB2 . . . . . . . . . . 96 . 27928 1 152 2 1 . . 4.611 . . 1 . 1 1 21 ASP HA . . . . . . . . . . 23 . 27928 1 153 1 1 . . 3.257 . . 1 . 1 1 5 TRP HB3 . . . . . . . . . . 98 . 27928 1 153 2 1 . . 4.407 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 1 154 1 1 . . 6.895 . . 1 . . . . . . . . . . . . . . . . 101 . 27928 1 154 2 2 . . 7.149 . . 1 . . . . . . . . . . . . . . . . 113 . 27928 1 155 1 1 . . 7.064 . . 1 . . . . . . . . . . . . . . . . 103 . 27928 1 155 2 1 . . 7.409 . . 1 . . . . . . . . . . . . . . . . 104 . 27928 1 156 1 1 . . 6.975 . . 1 . . . . . . . . . . . . . . . . 105 . 27928 1 156 2 1 . . 7.450 . . 1 . . . . . . . . . . . . . . . . 104 . 27928 1 157 1 1 . . 7.394 . . 1 . . . . . . . . . . . . . . . . 106 . 27928 1 157 2 1 . . 7.472 . . 1 . . . . . . . . . . . . . . . . 107 . 27928 1 158 1 1 . . 6.759 . . 1 . 1 1 8 TYR QE . . . . . . . . . . 102 . 27928 1 158 2 1 . . 7.128 . . 1 . 1 1 8 TYR QD . . . . . . . . . . 81 . 27928 1 159 1 1 . . 7.388 . . 1 . . . . . . . . . . . . . . . . 104 . 27928 1 159 2 1 . . 7.053 . . 1 . . . . . . . . . . . . . . . . 103 . 27928 1 163 1 1 . . 8.204 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 1 163 2 1 . . 4.537 . . 1 . 1 1 15 HIS HA . . . . . . . . . . 45 . 27928 1 164 1 1 . . 7.740 . . 1 . 1 1 6 GLU H . . . . . . . . . . 110 . 27928 1 164 2 1 . . 3.972 . . 1 . 1 1 6 GLU HA . . . . . . . . . . 111 . 27928 1 165 1 1 . . 7.741 . . 1 . 1 1 6 GLU H . . . . . . . . . . 110 . 27928 1 165 2 1 . . 2.033 . . 1 . 1 1 6 GLU HB2 . . . . . . . . . . 112 . 27928 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 27928 _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 . . . . . . . 27928 2 2 . . H 1 1H . . 9803.92156863 . . . . . . . 27928 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 27928 2 2 1.0 . . 27928 2 3 1.0 . . 27928 2 4 1.0 . . 27928 2 5 1.0 . . 27928 2 6 1.0 . . 27928 2 7 1.0 . . 27928 2 8 1.0 . . 27928 2 9 1.0 . . 27928 2 10 1.0 . . 27928 2 11 1.0 . . 27928 2 12 1.0 . . 27928 2 13 1.0 . . 27928 2 14 1.0 . . 27928 2 15 1.0 . . 27928 2 16 1.0 . . 27928 2 17 1.0 . . 27928 2 18 1.0 . . 27928 2 19 1.0 . . 27928 2 20 1.0 . . 27928 2 21 1.0 . . 27928 2 22 1.0 . . 27928 2 23 1.0 . . 27928 2 24 1.0 . . 27928 2 25 1.0 . . 27928 2 26 1.0 . . 27928 2 27 1.0 . . 27928 2 28 1.0 . . 27928 2 29 1.0 . . 27928 2 30 1.0 . . 27928 2 31 1.0 . . 27928 2 32 1.0 . . 27928 2 33 1.0 . . 27928 2 34 1.0 . . 27928 2 35 1.0 . . 27928 2 36 1.0 . . 27928 2 37 1.0 . . 27928 2 38 1.0 . . 27928 2 39 1.0 . . 27928 2 40 1.0 . . 27928 2 41 1.0 . . 27928 2 42 1.0 . . 27928 2 43 1.0 . . 27928 2 44 1.0 . . 27928 2 45 1.0 . . 27928 2 46 1.0 . . 27928 2 47 1.0 . . 27928 2 48 1.0 . . 27928 2 49 1.0 . . 27928 2 50 1.0 . . 27928 2 51 1.0 . . 27928 2 52 1.0 . . 27928 2 53 1.0 . . 27928 2 54 1.0 . . 27928 2 55 1.0 . . 27928 2 56 1.0 . . 27928 2 57 1.0 . . 27928 2 58 1.0 . . 27928 2 59 1.0 . . 27928 2 60 1.0 . . 27928 2 61 1.0 . . 27928 2 62 1.0 . . 27928 2 63 1.0 . . 27928 2 64 1.0 . . 27928 2 65 1.0 . . 27928 2 66 1.0 . . 27928 2 67 1.0 . . 27928 2 68 1.0 . . 27928 2 69 1.0 . . 27928 2 70 1.0 . . 27928 2 71 1.0 . . 27928 2 72 1.0 . . 27928 2 73 1.0 . . 27928 2 74 1.0 . . 27928 2 75 1.0 . . 27928 2 76 1.0 . . 27928 2 77 1.0 . . 27928 2 78 1.0 . . 27928 2 79 1.0 . . 27928 2 80 1.0 . . 27928 2 81 1.0 . . 27928 2 82 1.0 . . 27928 2 83 1.0 . . 27928 2 84 1.0 . . 27928 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 37657.0 . height 27928 2 1 307105.0 . volume 27928 2 2 75315.5 . height 27928 2 2 614894.0 . volume 27928 2 3 113065.5 . height 27928 2 3 912803.0 . volume 27928 2 4 560056.5 . height 27928 2 4 4539384.5 . volume 27928 2 5 93932.0 . height 27928 2 5 766682.5 . volume 27928 2 6 180004.0 . height 27928 2 6 1484656.0 . volume 27928 2 7 184845.0 . height 27928 2 7 1539351.0 . volume 27928 2 8 242789.0 . height 27928 2 8 1960034.5 . volume 27928 2 9 136514.5 . height 27928 2 9 1130152.0 . volume 27928 2 10 150966.0 . height 27928 2 10 1251685.0 . volume 27928 2 11 247411.5 . height 27928 2 11 1988539.5 . volume 27928 2 12 99253.5 . height 27928 2 12 791317.5 . volume 27928 2 13 45676.0 . height 27928 2 13 367127.0 . volume 27928 2 14 52003.5 . height 27928 2 14 418867.5 . volume 27928 2 15 87900.0 . height 27928 2 15 704915.5 . volume 27928 2 16 1001547.5 . height 27928 2 16 8432450.5 . volume 27928 2 17 220847.0 . height 27928 2 17 1625677.0 . volume 27928 2 18 351861.5 . height 27928 2 18 2424944.5 . volume 27928 2 19 74156.0 . height 27928 2 19 162084.0 . volume 27928 2 20 407750.5 . height 27928 2 20 3316921.5 . volume 27928 2 21 518239.0 . height 27928 2 21 4300506.5 . volume 27928 2 22 419513.0 . height 27928 2 22 3167196.5 . volume 27928 2 23 54420.0 . height 27928 2 23 386657.5 . volume 27928 2 24 328568.0 . height 27928 2 24 2683649.0 . volume 27928 2 25 218969.0 . height 27928 2 25 1602743.5 . volume 27928 2 26 191846.5 . height 27928 2 26 1356017.0 . volume 27928 2 27 240616.5 . height 27928 2 27 1954124.5 . volume 27928 2 28 28858.0 . height 27928 2 28 229779.5 . volume 27928 2 29 52279.5 . height 27928 2 29 450727.0 . volume 27928 2 30 135860.5 . height 27928 2 30 1101440.0 . volume 27928 2 31 46153.5 . height 27928 2 31 382625.0 . volume 27928 2 32 1045257.5 . height 27928 2 32 8463415.5 . volume 27928 2 33 44994.5 . height 27928 2 33 356872.0 . volume 27928 2 34 390887.5 . height 27928 2 34 3163037.5 . volume 27928 2 35 479556.5 . height 27928 2 35 3919516.5 . volume 27928 2 36 210686.0 . height 27928 2 36 1717180.0 . volume 27928 2 37 198789.5 . height 27928 2 37 1666985.0 . volume 27928 2 38 42668.5 . height 27928 2 38 348318.0 . volume 27928 2 39 42771.5 . height 27928 2 39 352824.5 . volume 27928 2 40 398008.5 . height 27928 2 40 3317481.5 . volume 27928 2 41 40209.5 . height 27928 2 41 331163.0 . volume 27928 2 42 47518.5 . height 27928 2 42 415268.5 . volume 27928 2 43 313290.0 . height 27928 2 43 2575420.0 . volume 27928 2 44 477118.5 . height 27928 2 44 3922910.5 . volume 27928 2 45 170260.0 . height 27928 2 45 1467858.5 . volume 27928 2 46 95407.5 . height 27928 2 46 785134.0 . volume 27928 2 47 98966.5 . height 27928 2 47 811445.5 . volume 27928 2 48 40559.0 . height 27928 2 48 330479.5 . volume 27928 2 49 201779.5 . height 27928 2 49 1662873.5 . volume 27928 2 50 104871.5 . height 27928 2 50 863249.0 . volume 27928 2 51 52972.0 . height 27928 2 51 434319.0 . volume 27928 2 52 387982.0 . height 27928 2 52 3032706.5 . volume 27928 2 53 53782.0 . height 27928 2 53 455973.0 . volume 27928 2 54 62081.0 . height 27928 2 54 489982.0 . volume 27928 2 55 481981.0 . height 27928 2 55 3923341.5 . volume 27928 2 56 427667.5 . height 27928 2 56 3546640.0 . volume 27928 2 57 149194.5 . height 27928 2 57 1214775.5 . volume 27928 2 58 244265.0 . height 27928 2 58 1960686.5 . volume 27928 2 59 63166.5 . height 27928 2 59 516046.0 . volume 27928 2 60 312984.5 . height 27928 2 60 2592690.0 . volume 27928 2 61 41624.0 . height 27928 2 61 332333.5 . volume 27928 2 62 139029.5 . height 27928 2 62 1125261.5 . volume 27928 2 63 24230.0 . height 27928 2 63 165209.0 . volume 27928 2 64 26450.0 . height 27928 2 64 218811.0 . volume 27928 2 65 156091.5 . height 27928 2 65 1268223.5 . volume 27928 2 66 48392.5 . height 27928 2 66 385727.0 . volume 27928 2 67 71113.0 . height 27928 2 67 595689.0 . volume 27928 2 68 96679.5 . height 27928 2 68 778940.5 . volume 27928 2 69 108746.0 . height 27928 2 69 921275.0 . volume 27928 2 70 21613.5 . height 27928 2 70 -990387.0 . volume 27928 2 71 101329.0 . height 27928 2 71 817632.0 . volume 27928 2 72 171386.0 . height 27928 2 72 1364304.5 . volume 27928 2 73 224248.5 . height 27928 2 73 1821565.5 . volume 27928 2 74 15927.0 . height 27928 2 74 113397.0 . volume 27928 2 75 521025.5 . height 27928 2 75 4260676.0 . volume 27928 2 76 647126.0 . height 27928 2 76 5096671.5 . volume 27928 2 77 226401.5 . height 27928 2 77 1519219.0 . volume 27928 2 78 144688.5 . height 27928 2 78 1199060.0 . volume 27928 2 79 628645.0 . height 27928 2 79 5203851.0 . volume 27928 2 80 5172766.0 . height 27928 2 80 41716881.0 . volume 27928 2 81 66703.5 . height 27928 2 81 551494.0 . volume 27928 2 82 139352.5 . height 27928 2 82 1163955.5 . volume 27928 2 83 77049.0 . height 27928 2 83 617944.0 . volume 27928 2 84 222613.0 . height 27928 2 84 1862062.0 . volume 27928 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 8.824 . 13.76984166160 . . . . . . . . . . . 27928 2 1 2 4.648 . 92.55783230650 . . . . . . . . . . . 27928 2 2 1 8.352 . 14.61950002930 . . . . . . . . . . . 27928 2 2 2 4.742 . 88.05417547040 . . . . . . . . . . . 27928 2 3 1 7.998 . 16.70566259650 . . . . . . . . . . . 27928 2 3 2 4.749 . 79.54765768610 . . . . . . . . . . . 27928 2 4 1 7.133 . 17.85188328990 . . . . . . . . . . . 27928 2 4 2 4.752 . 79.89330618990 . . . . . . . . . . . 27928 2 5 1 8.301 . 16.61844697650 . . . . . . . . . . . 27928 2 5 2 4.124 . 86.58860244000 . . . . . . . . . . . 27928 2 6 1 8.206 . 17.04342225020 . . . . . . . . . . . 27928 2 6 2 4.015 . 93.39054425560 . . . . . . . . . . . 27928 2 7 1 7.996 . 16.68287258520 . . . . . . . . . . . 27928 2 7 2 4.363 . 354.11820692200 . . . . . . . . . . . 27928 2 8 1 7.941 . 23.75683363750 . . . . . . . . . . . 27928 2 8 2 4.237 . 84.33648184230 . . . . . . . . . . . 27928 2 9 1 7.876 . 14.44682186730 . . . . . . . . . . . 27928 2 9 2 3.963 . 94.99110427560 . . . . . . . . . . . 27928 2 10 1 7.800 . 17.64940280540 . . . . . . . . . . . 27928 2 10 2 4.010 . 99.41528825200 . . . . . . . . . . . 27928 2 11 1 7.742 . 15.60210012920 . . . . . . . . . . . 27928 2 11 2 4.616 . 77.14652547650 . . . . . . . . . . . 27928 2 12 1 8.368 . 16.21275555850 . . . . . . . . . . . 27928 2 12 2 3.701 . 77.21840166580 . . . . . . . . . . . 27928 2 13 1 8.205 . 16.16775989530 . . . . . . . . . . . 27928 2 13 2 3.702 . 80.90512425290 . . . . . . . . . . . 27928 2 14 1 7.994 . 14.10935439320 . . . . . . . . . . . 27928 2 14 2 3.699 . 80.36342321660 . . . . . . . . . . . 27928 2 15 1 7.904 . 16.95401528300 . . . . . . . . . . . 27928 2 15 2 3.698 . 75.89541229550 . . . . . . . . . . . 27928 2 16 1 7.996 . 16.33050394990 . . . . . . . . . . . 27928 2 16 2 8.335 . 100.24084180000 . . . . . . . . . . . 27928 2 17 1 7.998 . 15.57638832170 . . . . . . . . . . . 27928 2 17 2 8.196 . 204.58154818600 . . . . . . . . . . . 27928 2 18 1 7.924 . 19.62658237010 . . . . . . . . . . . 27928 2 18 2 8.109 . 55.01274969060 . . . . . . . . . . . 27928 2 19 1 7.878 . 63.89442612140 . . . . . . . . . . . 27928 2 19 2 8.066 . 29.31788855910 . . . . . . . . . . . 27928 2 20 1 7.904 . 17.52201248620 . . . . . . . . . . . 27928 2 20 2 8.206 . 83.95460306430 . . . . . . . . . . . 27928 2 21 1 7.799 . 18.77341784680 . . . . . . . . . . . 27928 2 21 2 8.240 . 90.34457159980 . . . . . . . . . . . 27928 2 22 1 7.798 . 17.42121051340 . . . . . . . . . . . 27928 2 22 2 7.996 . 60.90455195480 . . . . . . . . . . . 27928 2 23 1 7.742 . 11.75321784670 . . . . . . . . . . . 27928 2 23 2 8.169 . 60.47344090890 . . . . . . . . . . . 27928 2 24 1 8.825 . 15.32613646750 . . . . . . . . . . . 27928 2 24 2 7.937 . 86.06384782230 . . . . . . . . . . . 27928 2 25 1 8.979 . 16.03554861220 . . . . . . . . . . . 27928 2 25 2 8.803 . 231.96769111300 . . . . . . . . . . . 27928 2 26 1 8.825 . 13.97013079890 . . . . . . . . . . . 27928 2 26 2 9.004 . 56.46882688300 . . . . . . . . . . . 27928 2 27 1 7.933 . 18.34128417220 . . . . . . . . . . . 27928 2 27 2 8.826 . 81.42768752340 . . . . . . . . . . . 27928 2 28 1 8.301 . 17.04371442980 . . . . . . . . . . . 27928 2 28 2 4.747 . 76.14376498200 . . . . . . . . . . . 27928 2 29 1 8.976 . 16.29748765160 . . . . . . . . . . . 27928 2 29 2 2.147 . 164.19794045200 . . . . . . . . . . . 27928 2 30 1 8.977 . 15.88361520390 . . . . . . . . . . . 27928 2 30 2 2.558 . 82.45309193930 . . . . . . . . . . . 27928 2 31 1 8.978 . 18.14304029240 . . . . . . . . . . . 27928 2 31 2 7.953 . 99.64026656810 . . . . . . . . . . . 27928 2 32 1 8.978 . 15.78062188390 . . . . . . . . . . . 27928 2 32 2 4.636 . 82.25733158640 . . . . . . . . . . . 27928 2 33 1 8.826 . 15.01131291480 . . . . . . . . . . . 27928 2 33 2 2.561 . 74.86810871200 . . . . . . . . . . . 27928 2 35 1 8.368 . 16.36834121220 . . . . . . . . . . . 27928 2 35 2 2.015 . 87.37398128880 . . . . . . . . . . . 27928 2 36 1 8.368 . 16.22137485770 . . . . . . . . . . . 27928 2 36 2 1.018 . 88.98622849410 . . . . . . . . . . . 27928 2 37 1 4.236 . 20.82130488230 . . . . . . . . . . . 27928 2 37 2 7.960 . 98.16826558580 . . . . . . . . . . . 27928 2 38 1 7.152 . 11.49931374720 . . . . . . . . . . . 27928 2 38 2 8.346 . 123.32361702800 . . . . . . . . . . . 27928 2 39 1 8.359 . 23.19891663160 . . . . . . . . . . . 27928 2 39 2 7.131 . 90.91169226400 . . . . . . . . . . . 27928 2 40 1 8.354 . 16.30508432200 . . . . . . . . . . . 27928 2 40 2 2.920 . 96.73892282970 . . . . . . . . . . . 27928 2 41 1 8.300 . 16.99418998230 . . . . . . . . . . . 27928 2 41 2 3.185 . 96.41986267240 . . . . . . . . . . . 27928 2 42 1 8.300 . 15.21773782430 . . . . . . . . . . . 27928 2 42 2 2.595 . 362.27995274100 . . . . . . . . . . . 27928 2 43 1 8.302 . 17.04108481310 . . . . . . . . . . . 27928 2 43 2 2.241 . 88.57308649550 . . . . . . . . . . . 27928 2 44 1 8.250 . 19.29729592570 . . . . . . . . . . . 27928 2 44 2 7.798 . 87.56974164180 . . . . . . . . . . . 27928 2 45 1 8.206 . 16.55343700860 . . . . . . . . . . . 27928 2 45 2 3.148 . 156.54634026900 . . . . . . . . . . . 27928 2 46 1 3.143 . 32.44245753570 . . . . . . . . . . . 27928 2 46 2 8.205 . 87.90735520570 . . . . . . . . . . . 27928 2 47 1 3.248 . 23.58883034950 . . . . . . . . . . . 27928 2 47 2 8.210 . 87.78463976060 . . . . . . . . . . . 27928 2 48 1 8.087 . 16.81727521560 . . . . . . . . . . . 27928 2 48 2 4.543 . 88.74722555570 . . . . . . . . . . . 27928 2 49 1 8.087 . 17.46182348210 . . . . . . . . . . . 27928 2 49 2 1.901 . 90.54062413230 . . . . . . . . . . . 27928 2 50 1 8.088 . 16.97738965350 . . . . . . . . . . . 27928 2 50 2 1.663 . 90.13858495970 . . . . . . . . . . . 27928 2 51 1 8.088 . 16.37491525390 . . . . . . . . . . . 27928 2 51 2 0.947 . 89.03765210920 . . . . . . . . . . . 27928 2 52 1 8.088 . 22.57818100500 . . . . . . . . . . . 27928 2 52 2 7.914 . 246.77871489100 . . . . . . . . . . . 27928 2 53 1 7.998 . 18.06546660030 . . . . . . . . . . . 27928 2 53 2 3.185 . 162.67042534000 . . . . . . . . . . . 27928 2 54 1 7.998 . 17.68884705560 . . . . . . . . . . . 27928 2 54 2 1.019 . 81.92775296230 . . . . . . . . . . . 27928 2 55 1 8.302 . 18.08957141990 . . . . . . . . . . . 27928 2 55 2 7.995 . 86.66427696450 . . . . . . . . . . . 27928 2 56 1 7.934 . 61.08687204470 . . . . . . . . . . . 27928 2 56 2 1.835 . 94.10521563360 . . . . . . . . . . . 27928 2 57 1 7.934 . 20.17617225650 . . . . . . . . . . . 27928 2 57 2 1.573 . 89.57643134920 . . . . . . . . . . . 27928 2 58 1 7.878 . 17.26635530880 . . . . . . . . . . . 27928 2 58 2 4.474 . 79.42377352250 . . . . . . . . . . . 27928 2 59 1 8.189 . 14.86434656030 . . . . . . . . . . . 27928 2 59 2 1.482 . 92.34161937940 . . . . . . . . . . . 27928 2 60 1 8.188 . 16.63349422750 . . . . . . . . . . . 27928 2 60 2 7.789 . 142.67277483800 . . . . . . . . . . . 27928 2 61 1 7.799 . 14.02345358160 . . . . . . . . . . . 27928 2 61 2 2.107 . 99.73317969080 . . . . . . . . . . . 27928 2 62 1 8.087 . 17.34553598890 . . . . . . . . . . . 27928 2 62 2 4.319 . 82.96615937180 . . . . . . . . . . . 27928 2 63 1 8.825 . 15.46024691820 . . . . . . . . . . . 27928 2 63 2 4.420 . 51.67956445730 . . . . . . . . . . . 27928 2 64 1 8.300 . 16.23773691700 . . . . . . . . . . . 27928 2 64 2 4.359 . 89.30470429210 . . . . . . . . . . . 27928 2 65 1 8.251 . 18.04428357700 . . . . . . . . . . . 27928 2 65 2 4.409 . 82.42504269470 . . . . . . . . . . . 27928 2 66 1 8.240 . 55.13312769870 . . . . . . . . . . . 27928 2 66 2 3.984 . 89.76284195400 . . . . . . . . . . . 27928 2 67 1 8.250 . 18.38452675760 . . . . . . . . . . . 27928 2 67 2 3.188 . 108.76620517100 . . . . . . . . . . . 27928 2 68 1 8.250 . 16.75124261890 . . . . . . . . . . . 27928 2 68 2 4.750 . 78.65680199040 . . . . . . . . . . . 27928 2 70 1 7.741 . 5.84826749914 . . . . . . . . . . . 27928 2 70 2 7.930 . 5.94205716077 . . . . . . . . . . . 27928 2 71 1 7.393 . 15.02621407600 . . . . . . . . . . . 27928 2 71 2 7.936 . 75.62017908280 . . . . . . . . . . . 27928 2 72 1 7.298 . 10.92781038850 . . . . . . . . . . . 27928 2 72 2 7.912 . 78.82246784140 . . . . . . . . . . . 27928 2 74 1 7.903 . 9.18700414545 . . . . . . . . . . . 27928 2 74 2 8.389 . 597.46731730100 . . . . . . . . . . . 27928 2 75 1 8.206 . 18.78554330150 . . . . . . . . . . . 27928 2 75 2 7.907 . 332.54264032100 . . . . . . . . . . . 27928 2 76 1 8.002 . 19.54097373810 . . . . . . . . . . . 27928 2 76 2 7.814 . 254.18868251900 . . . . . . . . . . . 27928 2 77 1 7.933 . 29.42132014850 . . . . . . . . . . . 27928 2 77 2 7.750 . 304.99638295600 . . . . . . . . . . . 27928 2 78 1 8.250 . 324.89922116800 . . . . . . . . . . . 27928 2 78 2 7.972 . 276.22633120600 . . . . . . . . . . . 27928 2 79 1 8.358 . 23.07824644390 . . . . . . . . . . . 27928 2 79 2 7.992 . 89.24539182700 . . . . . . . . . . . 27928 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 . . 8.824 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 1 2 2 . . 4.648 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 82 . 27928 2 2 1 1 . . 8.352 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 2 2 1 . . 4.742 . . 1 . 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 3 1 2 . . 7.998 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 3 2 1 . . 4.749 . . 1 . 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 4 1 1 . . 7.133 . . 1 . 1 1 8 TYR QD . . . . . . . . . . 81 . 27928 2 4 2 1 . . 4.752 . . 1 . 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 5 1 1 . . 8.301 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 5 2 1 . . 4.124 . . 1 . 1 1 11 GLN HA . . . . . . . . . . 38 . 27928 2 6 1 1 . . 8.206 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 6 2 2 . . 4.015 . . 1 . 1 1 14 LYS HA . . . . . . . . . . 30 . 27928 2 7 1 2 . . 7.996 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 7 2 1 . . 4.363 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 2 8 1 1 . . 7.941 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 8 2 1 . . 4.237 . . 1 . 1 1 3 LYS HA . . . . . . . . . . 78 . 27928 2 9 1 1 . . 7.876 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 2 9 2 1 . . 3.963 . . 1 . 1 1 18 SER HB2 . . . . . . . . . . 42 . 27928 2 10 1 1 . . 7.800 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 2 10 2 1 . . 4.010 . . 1 . 1 1 7 GLU HA . . . . . . . . . . 40 . 27928 2 11 1 1 . . 7.742 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 2 11 2 2 . . 4.616 . . 1 . 1 1 21 ASP HA . . . . . . . . . . 23 . 27928 2 12 1 1 . . 8.368 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 12 2 1 . . 3.701 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 2 13 1 1 . . 8.205 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 13 2 1 . . 3.702 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 2 14 1 1 . . 7.994 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 14 2 1 . . 3.699 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 2 15 1 1 . . 7.904 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 15 2 1 . . 3.698 . . 1 . 1 1 12 ILE HA . . . . . . . . . . 14 . 27928 2 16 1 2 . . 7.996 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 16 2 1 . . 8.335 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 17 1 1 . . 7.998 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 17 2 1 . . 8.196 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 18 1 1 . . 7.924 . . 1 . 1 1 18 SER H . . . . . . . . . . 41 . 27928 2 18 2 2 . . 8.109 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 19 1 1 . . 7.878 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 2 19 2 1 . . 8.066 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 20 1 1 . . 7.904 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 20 2 1 . . 8.206 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 21 1 2 . . 7.799 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 21 2 2 . . 8.240 . . 1 . 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 22 1 2 . . 7.798 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 22 2 3 . . 7.996 . . 1 . 1 1 7 GLU H . . . . . . . . . . 39 . 27928 2 23 1 1 . . 7.742 . . 1 . 1 1 22 LYS H . . . . . . . . . . 66 . 27928 2 23 2 1 . . 8.169 . . 1 . 1 1 21 ASP H . . . . . . . . . . 24 . 27928 2 24 1 1 . . 8.825 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 24 2 1 . . 7.937 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 25 1 1 . . 8.979 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 25 2 1 . . 8.803 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 26 1 1 . . 8.825 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 26 2 1 . . 9.004 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 27 1 1 . . 7.933 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 27 2 1 . . 8.826 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 28 1 1 . . 8.301 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 28 2 1 . . 4.747 . . 1 . 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 29 1 1 . . 8.976 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 29 2 1 . . 2.147 . . 1 . . . . . . . . . . . . . . . . 34 . 27928 2 30 1 1 . . 8.977 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 30 2 1 . . 2.558 . . 1 . 1 1 2 PRO HB2 . . . . . . . . . . 32 . 27928 2 31 1 1 . . 8.978 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 31 2 1 . . 7.953 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 32 1 1 . . 8.978 . . 1 . 1 1 3 LYS H . . . . . . . . . . 74 . 27928 2 32 2 1 . . 4.636 . . 1 . 1 1 2 PRO HA . . . . . . . . . . 82 . 27928 2 33 1 1 . . 8.826 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 33 2 1 . . 2.561 . . 1 . 1 1 2 PRO HB2 . . . . . . . . . . 32 . 27928 2 35 1 1 . . 8.368 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 35 2 1 . . 2.015 . . 1 . 1 1 12 ILE HB . . . . . . . . . . 15 . 27928 2 36 1 1 . . 8.368 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 36 2 1 . . 1.018 . . 1 . 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 2 37 1 1 . . 4.236 . . 1 . 1 1 4 LEU HA . . . . . . . . . . 2 . 27928 2 37 2 1 . . 7.960 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 38 1 1 . . 7.152 . . 1 . 1 1 8 TYR QD . . . . . . . . . . 81 . 27928 2 38 2 1 . . 8.346 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 39 1 2 . . 8.359 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 39 2 1 . . 7.131 . . 1 . 1 1 8 TYR QD . . . . . . . . . . 81 . 27928 2 40 1 1 . . 8.354 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 40 2 1 . . 2.920 . . 1 . . . . . . . . . . . . . . . . 87 . 27928 2 41 1 1 . . 8.300 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 41 2 1 . . 3.185 . . 1 . 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 2 42 1 1 . . 8.300 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 42 2 1 . . 2.595 . . 1 . 1 1 10 ASP HB2 . . . . . . . . . . 8 . 27928 2 43 2 1 . . 2.241 . . 1 . 1 1 11 GLN HB2 . . . . . . . . . . 33 . 27928 2 44 1 2 . . 8.250 . . 1 . 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 44 2 2 . . 7.798 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 45 1 1 . . 8.206 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 45 2 1 . . 3.148 . . 1 . 1 1 15 HIS HB2 . . . . . . . . . . 46 . 27928 2 46 1 1 . . 3.143 . . 1 . 1 1 15 HIS HB2 . . . . . . . . . . 46 . 27928 2 46 2 1 . . 8.205 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 47 1 1 . . 3.248 . . 1 . 1 1 15 HIS HB3 . . . . . . . . . . 92 . 27928 2 47 2 1 . . 8.210 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 48 1 1 . . 8.087 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 48 2 1 . . 4.543 . . 1 . 1 1 15 HIS HA . . . . . . . . . . 45 . 27928 2 49 1 1 . . 8.087 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 49 2 1 . . 1.901 . . 1 . 1 1 16 LEU HB2 . . . . . . . . . . 20 . 27928 2 50 1 1 . . 8.088 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 50 2 1 . . 1.663 . . 1 . 1 1 16 LEU HG . . . . . . . . . . 21 . 27928 2 51 1 1 . . 8.088 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 51 2 1 . . 0.947 . . 1 . 1 1 16 LEU MD1 . . . . . . . . . . 22 . 27928 2 52 1 1 . . 8.088 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 52 2 1 . . 7.914 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 53 1 1 . . 7.998 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 53 2 1 . . 3.185 . . 1 . 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 2 54 1 1 . . 7.998 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 54 2 1 . . 1.019 . . 1 . 1 1 12 ILE MG . . . . . . . . . . 16 . 27928 2 55 1 1 . . 8.302 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 55 2 1 . . 7.995 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 55 2 2 . . 7.995 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 56 1 1 . . 7.934 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 56 2 1 . . 1.835 . . 1 . 1 1 3 LYS HB2 . . . . . . . . . . 76 . 27928 2 57 1 1 . . 7.934 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 57 2 1 . . 1.573 . . 1 . 1 1 3 LYS HG2 . . . . . . . . . . 75 . 27928 2 58 1 1 . . 7.878 . . 1 . 1 1 19 LEU H . . . . . . . . . . 54 . 27928 2 58 2 1 . . 4.474 . . 1 . 1 1 18 SER HA . . . . . . . . . . 43 . 27928 2 59 1 1 . . 8.189 . . 1 . 1 1 21 ASP H . . . . . . . . . . 24 . 27928 2 59 2 1 . . 1.482 . . 1 . 1 1 20 LYS HG2 . . . . . . . . . . 62 . 27928 2 60 1 1 . . 8.188 . . 1 . 1 1 21 ASP H . . . . . . . . . . 24 . 27928 2 60 2 1 . . 7.789 . . 1 . 1 1 20 LYS H . . . . . . . . . . 59 . 27928 2 61 1 1 . . 7.799 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 61 2 1 . . 2.107 . . 1 . 1 1 7 GLU HG2 . . . . . . . . . . 91 . 27928 2 62 1 1 . . 8.087 . . 1 . 1 1 17 GLY H . . . . . . . . . . 27 . 27928 2 62 2 1 . . 4.319 . . 1 . 1 1 16 LEU HA . . . . . . . . . . 19 . 27928 2 63 1 1 . . 8.825 . . 1 . 1 1 4 LEU H . . . . . . . . . . 1 . 27928 2 63 2 1 . . 4.420 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 2 64 1 1 . . 8.300 . . 1 . 1 1 12 ILE H . . . . . . . . . . 13 . 27928 2 64 2 1 . . 4.359 . . 1 . 1 1 10 ASP HA . . . . . . . . . . 7 . 27928 2 65 1 1 . . 8.251 . . 1 . 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 65 2 1 . . 4.409 . . 1 . 1 1 5 TRP HA . . . . . . . . . . 49 . 27928 2 66 1 1 . . 8.240 . . 1 . 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 66 2 1 . . 3.984 . . 1 . 1 1 6 GLU HA . . . . . . . . . . 111 . 27928 2 67 1 1 . . 8.250 . . 1 . 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 67 2 1 . . 3.188 . . 1 . 1 1 8 TYR HB2 . . . . . . . . . . 52 . 27928 2 68 1 1 . . 8.250 . . 1 . 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 68 2 1 . . 4.750 . . 1 . 1 1 8 TYR HA . . . . . . . . . . 51 . 27928 2 70 1 1 . . 7.741 . . 1 . 1 1 6 GLU H . . . . . . . . . . 110 . 27928 2 70 2 1 . . 7.930 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 71 1 1 . . 7.393 . . 1 . . . . . . . . . . . . . . . . 106 . 27928 2 71 2 1 . . 7.936 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 72 1 1 . . 7.298 . . 1 . 1 1 15 HIS HE1 . . . . . . . . . . 86 . 27928 2 72 2 1 . . 7.912 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 74 1 1 . . 7.903 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 74 2 1 . . 8.389 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 75 1 1 . . 8.206 . . 1 . 1 1 16 LEU H . . . . . . . . . . 18 . 27928 2 75 2 1 . . 7.907 . . 1 . 1 1 15 HIS H . . . . . . . . . . 44 . 27928 2 76 1 1 . . 8.002 . . 1 . 1 1 7 GLU H . . . . . . . . . . 39 . 27928 2 76 2 1 . . 7.814 . . 1 . 1 1 8 TYR H . . . . . . . . . . 50 . 27928 2 77 1 1 . . 7.933 . . 1 . 1 1 5 TRP H . . . . . . . . . . 47 . 27928 2 77 2 1 . . 7.750 . . 1 . 1 1 6 GLU H . . . . . . . . . . 110 . 27928 2 78 1 1 . . 8.250 . . 1 . 1 1 9 GLY H . . . . . . . . . . 108 . 27928 2 78 2 1 . . 7.972 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 79 1 1 . . 8.358 . . 1 . 1 1 10 ASP H . . . . . . . . . . 6 . 27928 2 79 1 2 . . 8.358 . . 1 . 1 1 13 GLN H . . . . . . . . . . 9 . 27928 2 79 2 1 . . 7.992 . . 1 . 1 1 11 GLN H . . . . . . . . . . 37 . 27928 2 79 2 2 . . 7.992 . . 1 . 1 1 14 LYS H . . . . . . . . . . 29 . 27928 2 stop_ save_