data_30651 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30651 _Entry.Title ; Lasso peptide pandonodin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-08-06 _Entry.Accession_date 2019-08-06 _Entry.Last_release_date 2019-11-26 _Entry.Original_release_date 2019-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30651 stop_ 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 A. Link A. J. . . 30651 2 W. Cheung-Lee W. L. . . 30651 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Lasso peptide' . 30651 RiPPs . 30651 'UNKNOWN FUNCTION' . 30651 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30651 spectral_peak_list 1 30651 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 235 30651 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 . . 2019-12-02 . original BMRB . 30651 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Q1X . 30651 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30651 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acschembio.9b00676 _Citation.PubMed_ID 31742991 _Citation.Full_citation . _Citation.Title ; Pandonodin: a proteobacterial lasso peptide with an exceptionally long C-terminal tail. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acs Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1554-8937 _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 . _Citation.Page_last . _Citation.Year 2019 _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 W. Cheung-Lee W. L. . . 30651 1 2 L. Cao L. . . . 30651 1 3 A. Link A. J. . . 30651 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30651 _Assembly.ID 1 _Assembly.Name Pandonodin _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 entity_1 1 $entity_1 A A yes . . . . . . 30651 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30651 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GVLGNDAEGITLLPLCFKPI CIPTLPPLTGGHA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3330.956 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Isopeptide bond between N-terminus and Glu-8 side chain' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30651 1 2 . VAL . 30651 1 3 . LEU . 30651 1 4 . GLY . 30651 1 5 . ASN . 30651 1 6 . ASP . 30651 1 7 . ALA . 30651 1 8 . GLU . 30651 1 9 . GLY . 30651 1 10 . ILE . 30651 1 11 . THR . 30651 1 12 . LEU . 30651 1 13 . LEU . 30651 1 14 . PRO . 30651 1 15 . LEU . 30651 1 16 . CYS . 30651 1 17 . PHE . 30651 1 18 . LYS . 30651 1 19 . PRO . 30651 1 20 . ILE . 30651 1 21 . CYS . 30651 1 22 . ILE . 30651 1 23 . PRO . 30651 1 24 . THR . 30651 1 25 . LEU . 30651 1 26 . PRO . 30651 1 27 . PRO . 30651 1 28 . LEU . 30651 1 29 . THR . 30651 1 30 . GLY . 30651 1 31 . GLY . 30651 1 32 . HIS . 30651 1 33 . ALA . 30651 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30651 1 . VAL 2 2 30651 1 . LEU 3 3 30651 1 . GLY 4 4 30651 1 . ASN 5 5 30651 1 . ASP 6 6 30651 1 . ALA 7 7 30651 1 . GLU 8 8 30651 1 . GLY 9 9 30651 1 . ILE 10 10 30651 1 . THR 11 11 30651 1 . LEU 12 12 30651 1 . LEU 13 13 30651 1 . PRO 14 14 30651 1 . LEU 15 15 30651 1 . CYS 16 16 30651 1 . PHE 17 17 30651 1 . LYS 18 18 30651 1 . PRO 19 19 30651 1 . ILE 20 20 30651 1 . CYS 21 21 30651 1 . ILE 22 22 30651 1 . PRO 23 23 30651 1 . THR 24 24 30651 1 . LEU 25 25 30651 1 . PRO 26 26 30651 1 . PRO 27 27 30651 1 . LEU 28 28 30651 1 . THR 29 29 30651 1 . GLY 30 30 30651 1 . GLY 31 31 30651 1 . HIS 32 32 30651 1 . ALA 33 33 30651 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 30651 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 93219 organism . 'Pandoraea norimbergensis' 'Pandoraea norimbergensis' . . Bacteria . Pandoraea norimbergensis . . . . . . . . . . . AT302_15525 . 30651 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 30651 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . . . . . . . . 30651 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30651 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '6 mg/mL pandonodin, Methanol-d3' _Sample.Aggregate_sample_number . _Sample.Solvent_system Methanol-d3 _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 pandonodin 'natural abundance' 1 $assembly 1 $entity_1 . . 6 . . mg/mL . . . . 30651 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 30651 _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 'ionic strength' 0 . 'Not defined' 30651 1 pH 6.9 . pH 30651 1 pressure 1 . atm 30651 1 temperature 295 . K 30651 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30651 _Software.ID 1 _Software.Type . _Software.Name 'MestreLab (Mnova / MestReNova / MestReC)' _Software.Version 11.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Mestrelab Research' . . 30651 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30651 1 . 'peak picking' 30651 1 . processing 30651 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30651 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30651 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30651 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30651 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30651 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 30651 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 30651 _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 gCOSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30651 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30651 1 3 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30651 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30651 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30651 _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 2 methanol 'methyl protons' . . . . ppm 3.33 internal indirect 1.0 . . . . . 30651 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30651 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D gCOSY' . . . 30651 1 2 '2D TOCSY' . . . 30651 1 3 '2D NOESY' . . . 30651 1 4 '2D 1H-13C HSQC' . . . 30651 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 7.580 0.000 . . . . . . A 1 GLY H1 . 30651 1 2 . 1 1 1 1 GLY HA2 H 1 3.639 0.000 . . . . . . A 1 GLY HA2 . 30651 1 3 . 1 1 1 1 GLY HA3 H 1 4.508 0.000 . . . . . . A 1 GLY HA3 . 30651 1 4 . 1 1 2 2 VAL H H 1 8.379 0.000 . . . . . . A 2 VAL H . 30651 1 5 . 1 1 2 2 VAL HA H 1 4.494 0.000 . . . . . . A 2 VAL HA . 30651 1 6 . 1 1 2 2 VAL HB H 1 2.329 0.000 . . . . . . A 2 VAL HB . 30651 1 7 . 1 1 2 2 VAL HG11 H 1 1.010 0.000 . . . . . . A 2 VAL HG11 . 30651 1 8 . 1 1 2 2 VAL HG12 H 1 1.010 0.000 . . . . . . A 2 VAL HG12 . 30651 1 9 . 1 1 2 2 VAL HG13 H 1 1.010 0.000 . . . . . . A 2 VAL HG13 . 30651 1 10 . 1 1 2 2 VAL HG21 H 1 0.962 0.000 . . . . . . A 2 VAL HG21 . 30651 1 11 . 1 1 2 2 VAL HG22 H 1 0.962 0.000 . . . . . . A 2 VAL HG22 . 30651 1 12 . 1 1 2 2 VAL HG23 H 1 0.962 0.000 . . . . . . A 2 VAL HG23 . 30651 1 13 . 1 1 3 3 LEU H H 1 7.333 0.000 . . . . . . A 3 LEU H . 30651 1 14 . 1 1 3 3 LEU HA H 1 4.297 0.000 . . . . . . A 3 LEU HA . 30651 1 15 . 1 1 3 3 LEU HB2 H 1 1.636 0.000 . . . . . . A 3 LEU HB2 . 30651 1 16 . 1 1 3 3 LEU HB3 H 1 1.636 0.000 . . . . . . A 3 LEU HB3 . 30651 1 17 . 1 1 3 3 LEU HG H 1 1.630 0.000 . . . . . . A 3 LEU HG . 30651 1 18 . 1 1 3 3 LEU HD11 H 1 0.978 0.000 . . . . . . A 3 LEU HD11 . 30651 1 19 . 1 1 3 3 LEU HD12 H 1 0.978 0.000 . . . . . . A 3 LEU HD12 . 30651 1 20 . 1 1 3 3 LEU HD13 H 1 0.978 0.000 . . . . . . A 3 LEU HD13 . 30651 1 21 . 1 1 3 3 LEU HD21 H 1 0.978 0.000 . . . . . . A 3 LEU HD21 . 30651 1 22 . 1 1 3 3 LEU HD22 H 1 0.978 0.000 . . . . . . A 3 LEU HD22 . 30651 1 23 . 1 1 3 3 LEU HD23 H 1 0.978 0.000 . . . . . . A 3 LEU HD23 . 30651 1 24 . 1 1 4 4 GLY H H 1 7.371 0.000 . . . . . . A 4 GLY H . 30651 1 25 . 1 1 4 4 GLY HA2 H 1 1.780 0.000 . . . . . . A 4 GLY HA2 . 30651 1 26 . 1 1 4 4 GLY HA3 H 1 3.356 0.000 . . . . . . A 4 GLY HA3 . 30651 1 27 . 1 1 5 5 ASN H H 1 6.649 0.000 . . . . . . A 5 ASN H . 30651 1 28 . 1 1 5 5 ASN HA H 1 4.724 0.000 . . . . . . A 5 ASN HA . 30651 1 29 . 1 1 5 5 ASN HB2 H 1 2.598 0.000 . . . . . . A 5 ASN HB2 . 30651 1 30 . 1 1 5 5 ASN HB3 H 1 3.057 0.000 . . . . . . A 5 ASN HB3 . 30651 1 31 . 1 1 5 5 ASN HD21 H 1 7.707 0.000 . . . . . . A 5 ASN HD21 . 30651 1 32 . 1 1 5 5 ASN HD22 H 1 6.911 0.000 . . . . . . A 5 ASN HD22 . 30651 1 33 . 1 1 6 6 ASP H H 1 8.907 0.000 . . . . . . A 6 ASP H . 30651 1 34 . 1 1 6 6 ASP HA H 1 5.143 0.000 . . . . . . A 6 ASP HA . 30651 1 35 . 1 1 6 6 ASP HB2 H 1 2.931 0.000 . . . . . . A 6 ASP HB2 . 30651 1 36 . 1 1 6 6 ASP HB3 H 1 2.736 0.000 . . . . . . A 6 ASP HB3 . 30651 1 37 . 1 1 7 7 ALA H H 1 8.434 0.000 . . . . . . A 7 ALA H . 30651 1 38 . 1 1 7 7 ALA HA H 1 4.436 0.000 . . . . . . A 7 ALA HA . 30651 1 39 . 1 1 7 7 ALA HB1 H 1 1.369 0.000 . . . . . . A 7 ALA HB1 . 30651 1 40 . 1 1 7 7 ALA HB2 H 1 1.369 0.000 . . . . . . A 7 ALA HB2 . 30651 1 41 . 1 1 7 7 ALA HB3 H 1 1.369 0.000 . . . . . . A 7 ALA HB3 . 30651 1 42 . 1 1 8 8 GLU H H 1 8.055 0.000 . . . . . . A 8 GLU H . 30651 1 43 . 1 1 8 8 GLU HA H 1 4.322 0.000 . . . . . . A 8 GLU HA . 30651 1 44 . 1 1 8 8 GLU HB2 H 1 1.533 0.000 . . . . . . A 8 GLU HB2 . 30651 1 45 . 1 1 8 8 GLU HB3 H 1 2.505 0.000 . . . . . . A 8 GLU HB3 . 30651 1 46 . 1 1 8 8 GLU HG2 H 1 2.735 0.000 . . . . . . A 8 GLU HG2 . 30651 1 47 . 1 1 8 8 GLU HG3 H 1 2.444 0.000 . . . . . . A 8 GLU HG3 . 30651 1 48 . 1 1 9 9 GLY H H 1 8.286 0.000 . . . . . . A 9 GLY H . 30651 1 49 . 1 1 9 9 GLY HA2 H 1 4.018 0.000 . . . . . . A 9 GLY HA2 . 30651 1 50 . 1 1 9 9 GLY HA3 H 1 3.657 0.000 . . . . . . A 9 GLY HA3 . 30651 1 51 . 1 1 10 10 ILE H H 1 6.818 0.000 . . . . . . A 10 ILE H . 30651 1 52 . 1 1 10 10 ILE HA H 1 4.453 0.000 . . . . . . A 10 ILE HA . 30651 1 53 . 1 1 10 10 ILE HB H 1 1.975 0.000 . . . . . . A 10 ILE HB . 30651 1 54 . 1 1 10 10 ILE HG12 H 1 1.555 0.000 . . . . . . A 10 ILE HG12 . 30651 1 55 . 1 1 10 10 ILE HG13 H 1 1.094 0.000 . . . . . . A 10 ILE HG13 . 30651 1 56 . 1 1 10 10 ILE HG21 H 1 0.986 0.000 . . . . . . A 10 ILE HG21 . 30651 1 57 . 1 1 10 10 ILE HG22 H 1 0.986 0.000 . . . . . . A 10 ILE HG22 . 30651 1 58 . 1 1 10 10 ILE HG23 H 1 0.986 0.000 . . . . . . A 10 ILE HG23 . 30651 1 59 . 1 1 10 10 ILE HD11 H 1 0.895 0.000 . . . . . . A 10 ILE HD11 . 30651 1 60 . 1 1 10 10 ILE HD12 H 1 0.895 0.000 . . . . . . A 10 ILE HD12 . 30651 1 61 . 1 1 10 10 ILE HD13 H 1 0.895 0.000 . . . . . . A 10 ILE HD13 . 30651 1 62 . 1 1 11 11 THR H H 1 8.592 0.000 . . . . . . A 11 THR H . 30651 1 63 . 1 1 11 11 THR HA H 1 4.017 0.000 . . . . . . A 11 THR HA . 30651 1 64 . 1 1 11 11 THR HB H 1 3.679 0.000 . . . . . . A 11 THR HB . 30651 1 65 . 1 1 11 11 THR HG21 H 1 1.238 0.000 . . . . . . A 11 THR HG21 . 30651 1 66 . 1 1 11 11 THR HG22 H 1 1.238 0.000 . . . . . . A 11 THR HG22 . 30651 1 67 . 1 1 11 11 THR HG23 H 1 1.238 0.000 . . . . . . A 11 THR HG23 . 30651 1 68 . 1 1 12 12 LEU H H 1 7.549 0.000 . . . . . . A 12 LEU H . 30651 1 69 . 1 1 12 12 LEU HA H 1 4.211 0.000 . . . . . . A 12 LEU HA . 30651 1 70 . 1 1 12 12 LEU HB2 H 1 1.164 0.000 . . . . . . A 12 LEU HB2 . 30651 1 71 . 1 1 12 12 LEU HB3 H 1 1.164 0.000 . . . . . . A 12 LEU HB3 . 30651 1 72 . 1 1 12 12 LEU HG H 1 1.686 0.000 . . . . . . A 12 LEU HG . 30651 1 73 . 1 1 12 12 LEU HD11 H 1 0.974 0.000 . . . . . . A 12 LEU HD11 . 30651 1 74 . 1 1 12 12 LEU HD12 H 1 0.974 0.000 . . . . . . A 12 LEU HD12 . 30651 1 75 . 1 1 12 12 LEU HD13 H 1 0.974 0.000 . . . . . . A 12 LEU HD13 . 30651 1 76 . 1 1 12 12 LEU HD21 H 1 0.916 0.000 . . . . . . A 12 LEU HD21 . 30651 1 77 . 1 1 12 12 LEU HD22 H 1 0.916 0.000 . . . . . . A 12 LEU HD22 . 30651 1 78 . 1 1 12 12 LEU HD23 H 1 0.916 0.000 . . . . . . A 12 LEU HD23 . 30651 1 79 . 1 1 13 13 LEU H H 1 7.545 0.000 . . . . . . A 13 LEU H . 30651 1 80 . 1 1 13 13 LEU HA H 1 5.358 0.000 . . . . . . A 13 LEU HA . 30651 1 81 . 1 1 13 13 LEU HB2 H 1 0.988 0.000 . . . . . . A 13 LEU HB2 . 30651 1 82 . 1 1 13 13 LEU HB3 H 1 0.988 0.000 . . . . . . A 13 LEU HB3 . 30651 1 83 . 1 1 13 13 LEU HG H 1 1.250 0.000 . . . . . . A 13 LEU HG . 30651 1 84 . 1 1 13 13 LEU HD11 H 1 0.719 0.000 . . . . . . A 13 LEU HD11 . 30651 1 85 . 1 1 13 13 LEU HD12 H 1 0.719 0.000 . . . . . . A 13 LEU HD12 . 30651 1 86 . 1 1 13 13 LEU HD13 H 1 0.719 0.000 . . . . . . A 13 LEU HD13 . 30651 1 87 . 1 1 13 13 LEU HD21 H 1 0.924 0.000 . . . . . . A 13 LEU HD21 . 30651 1 88 . 1 1 13 13 LEU HD22 H 1 0.924 0.000 . . . . . . A 13 LEU HD22 . 30651 1 89 . 1 1 13 13 LEU HD23 H 1 0.924 0.000 . . . . . . A 13 LEU HD23 . 30651 1 90 . 1 1 14 14 PRO HA H 1 4.765 0.000 . . . . . . A 14 PRO HA . 30651 1 91 . 1 1 14 14 PRO HB2 H 1 2.347 0.000 . . . . . . A 14 PRO HB2 . 30651 1 92 . 1 1 14 14 PRO HB3 H 1 2.038 0.000 . . . . . . A 14 PRO HB3 . 30651 1 93 . 1 1 14 14 PRO HG2 H 1 2.071 0.000 . . . . . . A 14 PRO HG2 . 30651 1 94 . 1 1 14 14 PRO HG3 H 1 1.870 0.000 . . . . . . A 14 PRO HG3 . 30651 1 95 . 1 1 14 14 PRO HD2 H 1 3.592 0.000 . . . . . . A 14 PRO HD2 . 30651 1 96 . 1 1 14 14 PRO HD3 H 1 3.693 0.000 . . . . . . A 14 PRO HD3 . 30651 1 97 . 1 1 15 15 LEU H H 1 7.275 0.000 . . . . . . A 15 LEU H . 30651 1 98 . 1 1 15 15 LEU HA H 1 4.640 0.000 . . . . . . A 15 LEU HA . 30651 1 99 . 1 1 15 15 LEU HB2 H 1 1.596 0.000 . . . . . . A 15 LEU HB2 . 30651 1 100 . 1 1 15 15 LEU HB3 H 1 1.596 0.000 . . . . . . A 15 LEU HB3 . 30651 1 101 . 1 1 15 15 LEU HG H 1 1.413 0.000 . . . . . . A 15 LEU HG . 30651 1 102 . 1 1 15 15 LEU HD11 H 1 1.172 0.000 . . . . . . A 15 LEU HD11 . 30651 1 103 . 1 1 15 15 LEU HD12 H 1 1.172 0.000 . . . . . . A 15 LEU HD12 . 30651 1 104 . 1 1 15 15 LEU HD13 H 1 1.172 0.000 . . . . . . A 15 LEU HD13 . 30651 1 105 . 1 1 15 15 LEU HD21 H 1 0.850 0.000 . . . . . . A 15 LEU HD21 . 30651 1 106 . 1 1 15 15 LEU HD22 H 1 0.850 0.000 . . . . . . A 15 LEU HD22 . 30651 1 107 . 1 1 15 15 LEU HD23 H 1 0.850 0.000 . . . . . . A 15 LEU HD23 . 30651 1 108 . 1 1 16 16 CYS H H 1 8.623 0.000 . . . . . . A 16 CYS H . 30651 1 109 . 1 1 16 16 CYS HA H 1 5.321 0.000 . . . . . . A 16 CYS HA . 30651 1 110 . 1 1 16 16 CYS HB2 H 1 3.854 0.000 . . . . . . A 16 CYS HB2 . 30651 1 111 . 1 1 16 16 CYS HB3 H 1 3.506 0.000 . . . . . . A 16 CYS HB3 . 30651 1 112 . 1 1 17 17 PHE H H 1 8.871 0.000 . . . . . . A 17 PHE H . 30651 1 113 . 1 1 17 17 PHE HA H 1 5.143 0.000 . . . . . . A 17 PHE HA . 30651 1 114 . 1 1 17 17 PHE HB2 H 1 3.053 0.000 . . . . . . A 17 PHE HB2 . 30651 1 115 . 1 1 17 17 PHE HB3 H 1 3.053 0.000 . . . . . . A 17 PHE HB3 . 30651 1 116 . 1 1 17 17 PHE HD1 H 1 7.397 0.000 . . . . . . A 17 PHE HD1 . 30651 1 117 . 1 1 17 17 PHE HD2 H 1 7.397 0.000 . . . . . . A 17 PHE HD2 . 30651 1 118 . 1 1 17 17 PHE HE1 H 1 7.204 0.000 . . . . . . A 17 PHE HE1 . 30651 1 119 . 1 1 17 17 PHE HE2 H 1 7.204 0.000 . . . . . . A 17 PHE HE2 . 30651 1 120 . 1 1 17 17 PHE HZ H 1 7.149 0.000 . . . . . . A 17 PHE HZ . 30651 1 121 . 1 1 18 18 LYS H H 1 8.623 0.000 . . . . . . A 18 LYS H . 30651 1 122 . 1 1 18 18 LYS HA H 1 4.170 0.000 . . . . . . A 18 LYS HA . 30651 1 123 . 1 1 18 18 LYS HB2 H 1 1.785 0.000 . . . . . . A 18 LYS HB2 . 30651 1 124 . 1 1 18 18 LYS HB3 H 1 1.699 0.000 . . . . . . A 18 LYS HB3 . 30651 1 125 . 1 1 18 18 LYS HG2 H 1 1.516 0.000 . . . . . . A 18 LYS HG2 . 30651 1 126 . 1 1 18 18 LYS HG3 H 1 1.465 0.000 . . . . . . A 18 LYS HG3 . 30651 1 127 . 1 1 18 18 LYS HD2 H 1 1.628 0.000 . . . . . . A 18 LYS HD2 . 30651 1 128 . 1 1 18 18 LYS HD3 H 1 1.628 0.000 . . . . . . A 18 LYS HD3 . 30651 1 129 . 1 1 18 18 LYS HE2 H 1 2.914 0.000 . . . . . . A 18 LYS HE2 . 30651 1 130 . 1 1 18 18 LYS HE3 H 1 2.914 0.000 . . . . . . A 18 LYS HE3 . 30651 1 131 . 1 1 19 19 PRO HA H 1 4.572 0.000 . . . . . . A 19 PRO HA . 30651 1 132 . 1 1 19 19 PRO HB2 H 1 2.109 0.000 . . . . . . A 19 PRO HB2 . 30651 1 133 . 1 1 19 19 PRO HB3 H 1 2.621 0.000 . . . . . . A 19 PRO HB3 . 30651 1 134 . 1 1 19 19 PRO HG2 H 1 1.698 0.000 . . . . . . A 19 PRO HG2 . 30651 1 135 . 1 1 19 19 PRO HG3 H 1 2.037 0.000 . . . . . . A 19 PRO HG3 . 30651 1 136 . 1 1 19 19 PRO HD2 H 1 3.513 0.000 . . . . . . A 19 PRO HD2 . 30651 1 137 . 1 1 19 19 PRO HD3 H 1 3.602 0.000 . . . . . . A 19 PRO HD3 . 30651 1 138 . 1 1 20 20 ILE H H 1 9.337 0.000 . . . . . . A 20 ILE H . 30651 1 139 . 1 1 20 20 ILE HA H 1 4.175 0.000 . . . . . . A 20 ILE HA . 30651 1 140 . 1 1 20 20 ILE HB H 1 2.466 0.000 . . . . . . A 20 ILE HB . 30651 1 141 . 1 1 20 20 ILE HG12 H 1 1.304 0.000 . . . . . . A 20 ILE HG12 . 30651 1 142 . 1 1 20 20 ILE HG13 H 1 1.593 0.000 . . . . . . A 20 ILE HG13 . 30651 1 143 . 1 1 20 20 ILE HG21 H 1 1.090 0.000 . . . . . . A 20 ILE HG21 . 30651 1 144 . 1 1 20 20 ILE HG22 H 1 1.090 0.000 . . . . . . A 20 ILE HG22 . 30651 1 145 . 1 1 20 20 ILE HG23 H 1 1.090 0.000 . . . . . . A 20 ILE HG23 . 30651 1 146 . 1 1 20 20 ILE HD11 H 1 0.917 0.000 . . . . . . A 20 ILE HD11 . 30651 1 147 . 1 1 20 20 ILE HD12 H 1 0.917 0.000 . . . . . . A 20 ILE HD12 . 30651 1 148 . 1 1 20 20 ILE HD13 H 1 0.917 0.000 . . . . . . A 20 ILE HD13 . 30651 1 149 . 1 1 21 21 CYS H H 1 7.607 0.000 . . . . . . A 21 CYS H . 30651 1 150 . 1 1 21 21 CYS HA H 1 5.031 0.000 . . . . . . A 21 CYS HA . 30651 1 151 . 1 1 21 21 CYS HB2 H 1 3.085 0.000 . . . . . . A 21 CYS HB2 . 30651 1 152 . 1 1 21 21 CYS HB3 H 1 2.950 0.000 . . . . . . A 21 CYS HB3 . 30651 1 153 . 1 1 22 22 ILE H H 1 9.373 0.000 . . . . . . A 22 ILE H . 30651 1 154 . 1 1 22 22 ILE HA H 1 4.122 0.000 . . . . . . A 22 ILE HA . 30651 1 155 . 1 1 22 22 ILE HB H 1 1.680 0.000 . . . . . . A 22 ILE HB . 30651 1 156 . 1 1 22 22 ILE HG12 H 1 1.765 0.000 . . . . . . A 22 ILE HG12 . 30651 1 157 . 1 1 22 22 ILE HG13 H 1 1.156 0.000 . . . . . . A 22 ILE HG13 . 30651 1 158 . 1 1 22 22 ILE HG21 H 1 0.951 0.000 . . . . . . A 22 ILE HG21 . 30651 1 159 . 1 1 22 22 ILE HG22 H 1 0.951 0.000 . . . . . . A 22 ILE HG22 . 30651 1 160 . 1 1 22 22 ILE HG23 H 1 0.951 0.000 . . . . . . A 22 ILE HG23 . 30651 1 161 . 1 1 22 22 ILE HD11 H 1 0.888 0.000 . . . . . . A 22 ILE HD11 . 30651 1 162 . 1 1 22 22 ILE HD12 H 1 0.888 0.000 . . . . . . A 22 ILE HD12 . 30651 1 163 . 1 1 22 22 ILE HD13 H 1 0.888 0.000 . . . . . . A 22 ILE HD13 . 30651 1 164 . 1 1 23 23 PRO HA H 1 4.520 0.000 . . . . . . A 23 PRO HA . 30651 1 165 . 1 1 23 23 PRO HB2 H 1 1.975 0.000 . . . . . . A 23 PRO HB2 . 30651 1 166 . 1 1 23 23 PRO HB3 H 1 2.226 0.000 . . . . . . A 23 PRO HB3 . 30651 1 167 . 1 1 23 23 PRO HG2 H 1 2.145 0.000 . . . . . . A 23 PRO HG2 . 30651 1 168 . 1 1 23 23 PRO HG3 H 1 1.992 0.000 . . . . . . A 23 PRO HG3 . 30651 1 169 . 1 1 23 23 PRO HD2 H 1 3.918 0.000 . . . . . . A 23 PRO HD2 . 30651 1 170 . 1 1 23 23 PRO HD3 H 1 3.642 0.000 . . . . . . A 23 PRO HD3 . 30651 1 171 . 1 1 24 24 THR H H 1 7.846 0.000 . . . . . . A 24 THR H . 30651 1 172 . 1 1 24 24 THR HA H 1 4.318 0.000 . . . . . . A 24 THR HA . 30651 1 173 . 1 1 24 24 THR HB H 1 4.243 0.000 . . . . . . A 24 THR HB . 30651 1 174 . 1 1 24 24 THR HG21 H 1 1.211 0.000 . . . . . . A 24 THR HG21 . 30651 1 175 . 1 1 24 24 THR HG22 H 1 1.211 0.000 . . . . . . A 24 THR HG22 . 30651 1 176 . 1 1 24 24 THR HG23 H 1 1.211 0.000 . . . . . . A 24 THR HG23 . 30651 1 177 . 1 1 25 25 LEU H H 1 7.936 0.000 . . . . . . A 25 LEU H . 30651 1 178 . 1 1 25 25 LEU HA H 1 4.703 0.000 . . . . . . A 25 LEU HA . 30651 1 179 . 1 1 25 25 LEU HB2 H 1 1.649 0.000 . . . . . . A 25 LEU HB2 . 30651 1 180 . 1 1 25 25 LEU HB3 H 1 1.591 0.000 . . . . . . A 25 LEU HB3 . 30651 1 181 . 1 1 25 25 LEU HG H 1 1.816 0.000 . . . . . . A 25 LEU HG . 30651 1 182 . 1 1 25 25 LEU HD11 H 1 0.960 0.000 . . . . . . A 25 LEU HD11 . 30651 1 183 . 1 1 25 25 LEU HD12 H 1 0.960 0.000 . . . . . . A 25 LEU HD12 . 30651 1 184 . 1 1 25 25 LEU HD13 H 1 0.960 0.000 . . . . . . A 25 LEU HD13 . 30651 1 185 . 1 1 25 25 LEU HD21 H 1 0.960 0.000 . . . . . . A 25 LEU HD21 . 30651 1 186 . 1 1 25 25 LEU HD22 H 1 0.960 0.000 . . . . . . A 25 LEU HD22 . 30651 1 187 . 1 1 25 25 LEU HD23 H 1 0.960 0.000 . . . . . . A 25 LEU HD23 . 30651 1 188 . 1 1 26 26 PRO HA H 1 4.669 0.000 . . . . . . A 26 PRO HA . 30651 1 189 . 1 1 26 26 PRO HB2 H 1 2.275 0.000 . . . . . . A 26 PRO HB2 . 30651 1 190 . 1 1 26 26 PRO HB3 H 1 1.993 0.000 . . . . . . A 26 PRO HB3 . 30651 1 191 . 1 1 26 26 PRO HG2 H 1 2.105 0.000 . . . . . . A 26 PRO HG2 . 30651 1 192 . 1 1 26 26 PRO HG3 H 1 2.004 0.000 . . . . . . A 26 PRO HG3 . 30651 1 193 . 1 1 26 26 PRO HD2 H 1 3.903 0.000 . . . . . . A 26 PRO HD2 . 30651 1 194 . 1 1 26 26 PRO HD3 H 1 3.642 0.000 . . . . . . A 26 PRO HD3 . 30651 1 195 . 1 1 27 27 PRO HA H 1 4.449 0.000 . . . . . . A 27 PRO HA . 30651 1 196 . 1 1 27 27 PRO HB2 H 1 1.977 0.000 . . . . . . A 27 PRO HB2 . 30651 1 197 . 1 1 27 27 PRO HB3 H 1 2.239 0.000 . . . . . . A 27 PRO HB3 . 30651 1 198 . 1 1 27 27 PRO HG2 H 1 2.089 0.000 . . . . . . A 27 PRO HG2 . 30651 1 199 . 1 1 27 27 PRO HG3 H 1 2.022 0.000 . . . . . . A 27 PRO HG3 . 30651 1 200 . 1 1 27 27 PRO HD2 H 1 3.799 0.000 . . . . . . A 27 PRO HD2 . 30651 1 201 . 1 1 27 27 PRO HD3 H 1 3.652 0.000 . . . . . . A 27 PRO HD3 . 30651 1 202 . 1 1 28 28 LEU H H 1 8.271 0.000 . . . . . . A 28 LEU H . 30651 1 203 . 1 1 28 28 LEU HA H 1 4.362 0.000 . . . . . . A 28 LEU HA . 30651 1 204 . 1 1 28 28 LEU HB2 H 1 1.754 0.000 . . . . . . A 28 LEU HB2 . 30651 1 205 . 1 1 28 28 LEU HB3 H 1 1.655 0.000 . . . . . . A 28 LEU HB3 . 30651 1 206 . 1 1 28 28 LEU HG H 1 0.980 0.000 . . . . . . A 28 LEU HG . 30651 1 207 . 1 1 28 28 LEU HD11 H 1 0.937 0.000 . . . . . . A 28 LEU HD11 . 30651 1 208 . 1 1 28 28 LEU HD12 H 1 0.937 0.000 . . . . . . A 28 LEU HD12 . 30651 1 209 . 1 1 28 28 LEU HD13 H 1 0.937 0.000 . . . . . . A 28 LEU HD13 . 30651 1 210 . 1 1 28 28 LEU HD21 H 1 0.937 0.000 . . . . . . A 28 LEU HD21 . 30651 1 211 . 1 1 28 28 LEU HD22 H 1 0.937 0.000 . . . . . . A 28 LEU HD22 . 30651 1 212 . 1 1 28 28 LEU HD23 H 1 0.937 0.000 . . . . . . A 28 LEU HD23 . 30651 1 213 . 1 1 29 29 THR H H 1 7.781 0.000 . . . . . . A 29 THR H . 30651 1 214 . 1 1 29 29 THR HA H 1 4.300 0.000 . . . . . . A 29 THR HA . 30651 1 215 . 1 1 29 29 THR HB H 1 4.281 0.000 . . . . . . A 29 THR HB . 30651 1 216 . 1 1 29 29 THR HG21 H 1 1.207 0.000 . . . . . . A 29 THR HG21 . 30651 1 217 . 1 1 29 29 THR HG22 H 1 1.207 0.000 . . . . . . A 29 THR HG22 . 30651 1 218 . 1 1 29 29 THR HG23 H 1 1.207 0.000 . . . . . . A 29 THR HG23 . 30651 1 219 . 1 1 30 30 GLY H H 1 8.392 0.000 . . . . . . A 30 GLY H . 30651 1 220 . 1 1 30 30 GLY HA2 H 1 3.917 0.000 . . . . . . A 30 GLY HA2 . 30651 1 221 . 1 1 30 30 GLY HA3 H 1 3.892 0.000 . . . . . . A 30 GLY HA3 . 30651 1 222 . 1 1 31 31 GLY H H 1 8.344 0.000 . . . . . . A 31 GLY H . 30651 1 223 . 1 1 31 31 GLY HA2 H 1 3.871 0.000 . . . . . . A 31 GLY HA2 . 30651 1 224 . 1 1 31 31 GLY HA3 H 1 3.828 0.000 . . . . . . A 31 GLY HA3 . 30651 1 225 . 1 1 32 32 HIS H H 1 7.995 0.000 . . . . . . A 32 HIS H . 30651 1 226 . 1 1 32 32 HIS HA H 1 4.743 0.000 . . . . . . A 32 HIS HA . 30651 1 227 . 1 1 32 32 HIS HB2 H 1 3.319 0.000 . . . . . . A 32 HIS HB2 . 30651 1 228 . 1 1 32 32 HIS HB3 H 1 3.179 0.000 . . . . . . A 32 HIS HB3 . 30651 1 229 . 1 1 32 32 HIS HD2 H 1 7.403 0.000 . . . . . . A 32 HIS HD2 . 30651 1 230 . 1 1 32 32 HIS HE1 H 1 8.775 0.000 . . . . . . A 32 HIS HE1 . 30651 1 231 . 1 1 33 33 ALA H H 1 8.428 0.000 . . . . . . A 33 ALA H . 30651 1 232 . 1 1 33 33 ALA HA H 1 4.397 0.000 . . . . . . A 33 ALA HA . 30651 1 233 . 1 1 33 33 ALA HB1 H 1 1.439 0.000 . . . . . . A 33 ALA HB1 . 30651 1 234 . 1 1 33 33 ALA HB2 H 1 1.439 0.000 . . . . . . A 33 ALA HB2 . 30651 1 235 . 1 1 33 33 ALA HB3 H 1 1.439 0.000 . . . . . . A 33 ALA HB3 . 30651 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 30651 _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.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 1 9.068 9.374 1 U 0.520 0 e 0 0 0 2 3.670 9.374 1 U 2.020 0 e 0 0 0 3 2.951 9.374 1 U 1.930 0 e 0 0 0 4 7.605 9.373 1 U 0.760 0 e 0 0 0 5 4.122 9.373 1 U 5.650 0 e 0 0 0 6 3.921 9.373 1 U 2.000 0 e 0 0 0 7 3.087 9.373 1 U 3.900 0 e 0 0 0 8 2.734 9.373 1 U 1.950 0 e 0 0 0 9 2.441 9.373 1 U 6.810 0 e 0 0 0 10 1.764 9.373 1 U 14.350 0 e 0 0 0 11 1.680 9.373 1 U 19.270 0 e 0 0 0 12 1.156 9.373 1 U 7.760 0 e 0 0 0 13 0.951 9.373 1 U 5.180 0 e 0 0 0 14 0.889 9.373 1 U 4.330 0 e 0 0 0 15 3.507 9.368 1 U 0.400 0 e 0 0 0 16 4.564 9.338 1 U 1.990 0 e 0 0 0 17 7.608 9.337 1 U 3.550 0 e 0 0 0 18 4.174 9.337 1 U 20.000 0 e 0 0 0 19 3.602 9.337 1 U 1.180 0 e 0 0 0 20 3.055 9.337 1 U 1.660 0 e 0 0 0 21 2.622 9.337 1 U 0.340 0 e 0 0 0 22 1.090 9.337 1 U 3.430 0 e 0 0 0 23 0.918 9.337 1 U 4.750 0 e 0 0 0 24 8.017 9.336 1 U 0.030 0 e 0 0 0 25 3.512 9.336 1 U 4.620 0 e 0 0 0 26 2.466 9.336 1 U 17.900 0 e 0 0 0 27 1.593 9.336 1 U 10.790 0 e 0 0 0 28 1.304 9.336 1 U 11.240 0 e 0 0 0 29 2.039 9.335 1 U 0.370 0 e 0 0 0 30 8.621 9.334 1 U 0.230 0 e 0 0 0 31 1.682 9.328 1 U 8.460 0 e 0 0 0 32 4.117 9.326 1 U 1.930 0 e 0 0 0 33 1.158 9.325 1 U 0.500 0 e 0 0 0 34 1.763 9.324 1 U 3.130 0 e 0 0 0 35 4.177 9.263 1 U 0.070 0 e 0 0 0 36 1.744 9.263 1 U 0.460 0 e 0 0 0 37 1.663 9.263 1 U 0.630 0 e 0 0 0 38 3.055 8.907 1 U 8.680 0 e 0 0 0 39 8.623 8.904 1 U 12.390 0 e 0 0 0 40 8.440 8.904 1 U 1.280 0 e 0 0 0 41 6.651 8.904 1 U 28.570 0 e 0 0 0 42 4.721 8.904 1 U 0.640 0 e 0 0 0 43 8.683 8.903 1 U 1.050 0 e 0 0 0 44 7.400 8.903 1 U 2.570 0 e 0 0 0 45 5.144 8.903 1 U 0.560 0 e 0 0 0 46 2.596 8.903 1 U 1.480 0 e 0 0 0 47 1.785 8.903 1 U 2.270 0 e 0 0 0 48 0.720 8.903 1 U 2.610 0 e 0 0 0 49 0.990 8.900 1 U 2.190 0 e 0 0 0 50 2.930 8.899 1 U 16.740 0 e 0 0 0 51 2.735 8.899 1 U 8.090 0 e 0 0 0 52 3.356 8.898 1 U 3.320 0 e 0 0 0 53 1.785 8.881 1 U 0.860 0 e 0 0 0 54 3.359 8.877 1 U 1.510 0 e 0 0 0 55 5.158 8.876 1 U 0.510 0 e 0 0 0 56 1.096 8.875 1 U 0.290 0 e 0 0 0 57 6.653 8.874 1 U 0.940 0 e 0 0 0 58 2.465 8.874 1 U 0.980 0 e 0 0 0 59 5.330 8.873 1 U 3.010 0 e 0 0 0 60 8.624 8.872 1 U 3.630 0 e 0 0 0 61 3.857 8.872 1 U 4.920 0 e 0 0 0 62 3.053 8.872 1 U 23.680 0 e 0 0 0 63 7.401 8.871 1 U 6.180 0 e 0 0 0 64 3.504 8.871 1 U 15.780 0 e 0 0 0 65 7.205 8.869 1 U 0.130 0 e 0 0 0 66 8.275 8.639 1 U 0.600 0 e 0 0 0 67 7.555 8.638 1 U 1.100 0 e 0 0 0 68 1.988 8.638 1 U 1.410 0 e 0 0 0 69 3.512 8.633 1 U 0.700 0 e 0 0 0 70 1.906 8.629 1 U 0.190 0 e 0 0 0 71 7.400 8.624 1 U 2.280 0 e 0 0 0 72 5.157 8.624 1 U 5.870 0 e 0 0 0 73 1.699 8.624 1 U 13.370 0 e 0 0 0 74 0.933 8.624 1 U 2.130 0 e 0 0 0 75 8.062 8.623 1 U 0.900 0 e 0 0 0 76 4.170 8.623 1 U 7.210 0 e 0 0 0 77 3.857 8.623 1 U 0.690 0 e 0 0 0 78 3.053 8.623 1 U 5.390 0 e 0 0 0 79 2.929 8.623 1 U 8.520 0 e 0 0 0 80 2.734 8.623 1 U 4.330 0 e 0 0 0 81 2.506 8.623 1 U 1.140 0 e 0 0 0 82 1.785 8.623 1 U 19.860 0 e 0 0 0 83 1.628 8.623 1 U 2.180 0 e 0 0 0 84 1.516 8.623 1 U 9.980 0 e 0 0 0 85 1.465 8.623 1 U 7.760 0 e 0 0 0 86 1.248 8.623 1 U 0.820 0 e 0 0 0 87 6.652 8.622 1 U 1.900 0 e 0 0 0 88 3.505 8.622 1 U 1.050 0 e 0 0 0 89 1.863 8.622 1 U 0.400 0 e 0 0 0 90 0.720 8.622 1 U 4.560 0 e 0 0 0 91 7.548 8.621 1 U 2.000 0 e 0 0 0 92 5.366 8.621 1 U 3.360 0 e 0 0 0 93 3.359 8.621 1 U 1.950 0 e 0 0 0 94 0.998 8.620 1 U 13.080 0 e 0 0 0 95 4.443 8.617 1 U 0.940 0 e 0 0 0 96 1.977 8.617 1 U 0.050 0 e 0 0 0 97 7.397 8.611 1 U 0.780 0 e 0 0 0 98 1.691 8.594 1 U 1.090 0 e 0 0 0 99 6.825 8.592 1 U 0.230 0 e 0 0 0 100 1.546 8.592 1 U 1.270 0 e 0 0 0 101 1.093 8.592 1 U 0.760 0 e 0 0 0 102 8.525 8.591 1 U 3.150 0 e 0 0 0 103 7.546 8.591 1 U 4.190 0 e 0 0 0 104 4.450 8.591 1 U 13.610 0 e 0 0 0 105 4.016 8.591 1 U 8.580 0 e 0 0 0 106 3.679 8.591 1 U 8.730 0 e 0 0 0 107 1.238 8.591 1 U 8.820 0 e 0 0 0 108 0.986 8.591 1 U 15.130 0 e 0 0 0 109 0.900 8.591 1 U 1.220 0 e 0 0 0 110 1.975 8.590 1 U 2.300 0 e 0 0 0 111 4.390 8.589 1 U 0.660 0 e 0 0 0 112 4.450 8.565 1 U 0.640 0 e 0 0 0 113 0.984 8.520 1 U 0.550 0 e 0 0 0 114 4.435 8.519 1 U 0.360 0 e 0 0 0 115 1.240 8.516 1 U 0.280 0 e 0 0 0 116 8.286 8.477 1 U 1.540 0 e 0 0 0 117 1.443 8.465 1 U 0.250 0 e 0 0 0 118 1.364 8.463 1 U 0.830 0 e 0 0 0 119 8.286 8.462 1 U 1.630 0 e 0 0 0 120 7.851 8.460 1 U 3.630 0 e 0 0 0 121 1.290 8.441 1 U 0.200 0 e 0 0 0 122 0.954 8.440 1 U 0.280 0 e 0 0 0 123 8.056 8.438 1 U 0.460 0 e 0 0 0 124 3.874 8.437 1 U 0.310 0 e 0 0 0 125 0.722 8.437 1 U 0.980 0 e 0 0 0 126 5.135 8.436 1 U 3.150 0 e 0 0 0 127 3.178 8.436 1 U 1.300 0 e 0 0 0 128 4.436 8.435 1 U 6.590 0 e 0 0 0 129 2.930 8.435 1 U 4.020 0 e 0 0 0 130 2.734 8.435 1 U 9.600 0 e 0 0 0 131 1.369 8.435 1 U 32.090 0 e 0 0 0 132 1.437 8.433 1 U 1.970 0 e 0 0 0 133 4.310 8.432 1 U 1.680 0 e 0 0 0 134 3.972 8.432 1 U 0.300 0 e 0 0 0 135 4.748 8.429 1 U 1.280 0 e 0 0 0 136 4.396 8.428 1 U 2.020 0 e 0 0 0 137 7.999 8.426 1 U 0.260 0 e 0 0 0 138 3.898 8.420 1 U 1.620 0 e 0 0 0 139 1.436 8.416 1 U 0.550 0 e 0 0 0 140 1.366 8.403 1 U 2.540 0 e 0 0 0 141 7.785 8.393 1 U 6.220 0 e 0 0 0 142 3.921 8.393 1 U 17.930 0 e 0 0 0 143 3.890 8.393 1 U 16.480 0 e 0 0 0 144 4.305 8.392 1 U 13.010 0 e 0 0 0 145 1.209 8.390 1 U 0.850 0 e 0 0 0 146 3.813 8.389 1 U 1.040 0 e 0 0 0 147 1.363 8.388 1 U 0.390 0 e 0 0 0 148 1.647 8.387 1 U 0.720 0 e 0 0 0 149 1.639 8.380 1 U 1.080 0 e 0 0 0 150 7.395 8.379 1 U 1.310 0 e 0 0 0 151 7.337 8.379 1 U 25.680 0 e 0 0 0 152 4.490 8.379 1 U 11.800 0 e 0 0 0 153 3.638 8.379 1 U 11.150 0 e 0 0 0 154 1.612 8.379 1 U 1.200 0 e 0 0 0 155 0.962 8.379 1 U 21.100 0 e 0 0 0 156 0.867 8.379 1 U 2.200 0 e 0 0 0 157 2.326 8.378 1 U 7.040 0 e 0 0 0 158 1.167 8.378 1 U 0.580 0 e 0 0 0 159 1.011 8.378 1 U 10.500 0 e 0 0 0 160 7.578 8.375 1 U 1.870 0 e 0 0 0 161 2.325 8.350 1 U 0.070 0 e 0 0 0 162 4.304 8.347 1 U 0.430 0 e 0 0 0 163 0.965 8.347 1 U 3.330 0 e 0 0 0 164 7.998 8.345 1 U 2.900 0 e 0 0 0 165 3.824 8.345 1 U 15.220 0 e 0 0 0 166 3.936 8.344 1 U 11.560 0 e 0 0 0 167 3.871 8.344 1 U 22.060 0 e 0 0 0 168 3.644 8.343 1 U 1.260 0 e 0 0 0 169 4.450 8.342 1 U 2.160 0 e 0 0 0 170 4.312 8.341 1 U 0.440 0 e 0 0 0 171 1.712 8.340 1 U 0.160 0 e 0 0 0 172 4.378 8.339 1 U 0.290 0 e 0 0 0 173 4.247 8.338 1 U 1.680 0 e 0 0 0 174 7.343 8.337 1 U 1.160 0 e 0 0 0 175 8.276 8.333 1 U 4.400 0 e 0 0 0 176 0.966 8.333 1 U 0.600 0 e 0 0 0 177 7.791 8.296 1 U 0.720 0 e 0 0 0 178 4.549 8.296 1 U 0.230 0 e 0 0 0 179 1.648 8.293 1 U 0.080 0 e 0 0 0 180 0.967 8.292 1 U 0.820 0 e 0 0 0 181 4.442 8.288 1 U 15.780 0 e 0 0 0 182 4.322 8.287 1 U 8.920 0 e 0 0 0 183 1.759 8.287 1 U 7.770 0 e 0 0 0 184 8.057 8.286 1 U 10.320 0 e 0 0 0 185 6.824 8.286 1 U 3.260 0 e 0 0 0 186 4.018 8.286 1 U 14.290 0 e 0 0 0 187 3.657 8.286 1 U 23.130 0 e 0 0 0 188 2.509 8.286 1 U 4.210 0 e 0 0 0 189 2.440 8.286 1 U 2.590 0 e 0 0 0 190 1.536 8.286 1 U 2.850 0 e 0 0 0 191 1.369 8.286 1 U 4.230 0 e 0 0 0 192 2.734 8.285 1 U 2.130 0 e 0 0 0 193 1.983 8.285 1 U 3.050 0 e 0 0 0 194 0.978 8.274 1 U 1.120 0 e 0 0 0 195 0.936 8.274 1 U 0.730 0 e 0 0 0 196 2.094 8.273 1 U 0.910 0 e 0 0 0 197 4.444 8.272 1 U 17.990 0 e 0 0 0 198 2.241 8.272 1 U 1.470 0 e 0 0 0 199 7.784 8.271 1 U 6.390 0 e 0 0 0 200 4.361 8.271 1 U 9.120 0 e 0 0 0 201 1.976 8.271 1 U 4.590 0 e 0 0 0 202 1.754 8.271 1 U 14.070 0 e 0 0 0 203 1.655 8.271 1 U 3.200 0 e 0 0 0 204 4.276 8.270 1 U 0.630 0 e 0 0 0 205 1.204 8.270 1 U 0.250 0 e 0 0 0 206 7.935 8.090 1 U 3.310 0 e 0 0 0 207 4.309 8.087 1 U 1.780 0 e 0 0 0 208 1.599 8.087 1 U 0.680 0 e 0 0 0 209 3.884 8.078 1 U 1.260 0 e 0 0 0 210 3.855 8.059 1 U 0.070 0 e 0 0 0 211 7.579 8.057 1 U 1.640 0 e 0 0 0 212 4.014 8.056 1 U 0.370 0 e 0 0 0 213 2.443 8.056 1 U 6.230 0 e 0 0 0 214 0.719 8.056 1 U 2.200 0 e 0 0 0 215 4.439 8.055 1 U 30.740 0 e 0 0 0 216 4.322 8.055 1 U 7.540 0 e 0 0 0 217 2.735 8.055 1 U 2.210 0 e 0 0 0 218 2.509 8.055 1 U 12.930 0 e 0 0 0 219 1.532 8.055 1 U 11.730 0 e 0 0 0 220 1.369 8.055 1 U 8.290 0 e 0 0 0 221 3.657 8.054 1 U 0.610 0 e 0 0 0 222 7.995 8.053 1 U 18.270 0 e 0 0 0 223 0.992 8.052 1 U 0.160 0 e 0 0 0 224 3.821 7.997 1 U 4.260 0 e 0 0 0 225 3.320 7.997 1 U 0.450 0 e 0 0 0 226 3.178 7.997 1 U 3.470 0 e 0 0 0 227 4.302 7.996 1 U 0.750 0 e 0 0 0 228 3.862 7.996 1 U 4.340 0 e 0 0 0 229 4.745 7.993 1 U 0.620 0 e 0 0 0 230 3.644 7.933 1 U 1.510 0 e 0 0 0 231 1.211 7.933 1 U 3.120 0 e 0 0 0 232 7.852 7.932 1 U 14.830 0 e 0 0 0 233 4.703 7.932 1 U 1.340 0 e 0 0 0 234 4.519 7.932 1 U 1.050 0 e 0 0 0 235 4.318 7.932 1 U 18.660 0 e 0 0 0 236 4.241 7.932 1 U 6.640 0 e 0 0 0 237 1.815 7.932 1 U 5.920 0 e 0 0 0 238 1.649 7.932 1 U 13.690 0 e 0 0 0 239 1.590 7.932 1 U 8.930 0 e 0 0 0 240 0.960 7.932 1 U 3.530 0 e 0 0 0 241 4.133 7.931 1 U 0.380 0 e 0 0 0 242 3.903 7.931 1 U 1.980 0 e 0 0 0 243 1.991 7.928 1 U 1.450 0 e 0 0 0 244 2.221 7.920 1 U 0.060 0 e 0 0 0 245 4.534 7.913 1 U 2.910 0 e 0 0 0 246 4.223 7.911 1 U 2.080 0 e 0 0 0 247 1.167 7.911 1 U 1.490 0 e 0 0 0 248 4.315 7.908 1 U 7.260 0 e 0 0 0 249 1.658 7.908 1 U 3.490 0 e 0 0 0 250 1.598 7.907 1 U 2.120 0 e 0 0 0 251 4.123 7.854 1 U 0.240 0 e 0 0 0 252 2.951 7.854 1 U 0.570 0 e 0 0 0 253 3.918 7.850 1 U 0.670 0 e 0 0 0 254 2.226 7.849 1 U 2.590 0 e 0 0 0 255 4.515 7.847 1 U 15.430 0 e 0 0 0 256 4.243 7.847 1 U 4.920 0 e 0 0 0 257 4.181 7.847 1 U 0.190 0 e 0 0 0 258 2.143 7.847 1 U 0.980 0 e 0 0 0 259 1.992 7.847 1 U 4.450 0 e 0 0 0 260 4.316 7.846 1 U 7.830 0 e 0 0 0 261 3.666 7.846 1 U 1.450 0 e 0 0 0 262 1.210 7.846 1 U 6.450 0 e 0 0 0 263 0.953 7.846 1 U 1.840 0 e 0 0 0 264 1.591 7.845 1 U 0.460 0 e 0 0 0 265 1.650 7.844 1 U 0.820 0 e 0 0 0 266 4.312 7.801 1 U 2.010 0 e 0 0 0 267 0.944 7.790 1 U 0.260 0 e 0 0 0 268 1.747 7.783 1 U 2.160 0 e 0 0 0 269 1.982 7.782 1 U 1.750 0 e 0 0 0 270 1.655 7.782 1 U 2.050 0 e 0 0 0 271 4.363 7.780 1 U 9.930 0 e 0 0 0 272 4.300 7.780 1 U 9.060 0 e 0 0 0 273 1.208 7.778 1 U 3.540 0 e 0 0 0 274 6.769 7.752 1 U 0.520 0 e 0 0 0 275 7.548 7.747 1 U 4.940 0 e 0 0 0 276 2.599 7.708 1 U 7.910 0 e 0 0 0 277 6.912 7.707 1 U 126.910 0 e 0 0 0 278 3.060 7.707 1 U 8.400 0 e 0 0 0 279 2.950 7.608 1 U 9.050 0 e 0 0 0 280 2.463 7.608 1 U 4.820 0 e 0 0 0 281 3.083 7.607 1 U 5.020 0 e 0 0 0 282 2.731 7.607 1 U 0.730 0 e 0 0 0 283 4.116 7.606 1 U 1.850 0 e 0 0 0 284 4.185 7.605 1 U 38.290 0 e 0 0 0 285 1.812 7.604 1 U 0.590 0 e 0 0 0 286 1.090 7.602 1 U 5.110 0 e 0 0 0 287 1.299 7.601 1 U 1.430 0 e 0 0 0 288 0.915 7.601 1 U 4.700 0 e 0 0 0 289 1.688 7.600 1 U 11.860 0 e 0 0 0 290 0.970 7.600 1 U 5.270 0 e 0 0 0 291 3.639 7.581 1 U 8.690 0 e 0 0 0 292 1.593 7.581 1 U 11.360 0 e 0 0 0 293 1.533 7.581 1 U 9.370 0 e 0 0 0 294 1.169 7.581 1 U 13.140 0 e 0 0 0 295 4.507 7.580 1 U 1.090 0 e 0 0 0 296 2.734 7.580 1 U 10.580 0 e 0 0 0 297 2.509 7.580 1 U 18.230 0 e 0 0 0 298 2.443 7.580 1 U 11.030 0 e 0 0 0 299 0.984 7.580 1 U 9.580 0 e 0 0 0 300 0.882 7.580 1 U 8.300 0 e 0 0 0 301 1.978 7.577 1 U 0.670 0 e 0 0 0 302 1.248 7.577 1 U 2.410 0 e 0 0 0 303 4.382 7.552 1 U 0.460 0 e 0 0 0 304 2.732 7.551 1 U 3.260 0 e 0 0 0 305 2.507 7.551 1 U 7.500 0 e 0 0 0 306 2.449 7.551 1 U 3.130 0 e 0 0 0 307 1.164 7.551 1 U 5.710 0 e 0 0 0 308 1.978 7.550 1 U 1.050 0 e 0 0 0 309 4.485 7.549 1 U 1.440 0 e 0 0 0 310 4.213 7.548 1 U 12.520 0 e 0 0 0 311 1.532 7.546 1 U 3.680 0 e 0 0 0 312 0.855 7.546 1 U 1.910 0 e 0 0 0 313 3.594 7.545 1 U 2.900 0 e 0 0 0 314 2.341 7.545 1 U 0.960 0 e 0 0 0 315 1.593 7.545 1 U 2.780 0 e 0 0 0 316 1.248 7.545 1 U 10.810 0 e 0 0 0 317 1.026 7.545 1 U 16.440 0 e 0 0 0 318 0.983 7.545 1 U 37.470 0 e 0 0 0 319 0.716 7.545 1 U 2.050 0 e 0 0 0 320 3.685 7.544 1 U 12.820 0 e 0 0 0 321 2.064 7.544 1 U 4.240 0 e 0 0 0 322 1.870 7.544 1 U 6.270 0 e 0 0 0 323 1.686 7.544 1 U 32.400 0 e 0 0 0 324 4.306 7.543 1 U 0.220 0 e 0 0 0 325 4.016 7.543 1 U 5.730 0 e 0 0 0 326 0.929 7.541 1 U 10.110 0 e 0 0 0 327 6.652 7.402 1 U 1.860 0 e 0 0 0 328 5.156 7.402 1 U 2.460 0 e 0 0 0 329 3.053 7.398 1 U 47.790 0 e 0 0 0 330 7.204 7.397 1 U 40.130 0 e 0 0 0 331 3.118 7.397 1 U 0.490 0 e 0 0 0 332 2.982 7.397 1 U 1.010 0 e 0 0 0 333 2.602 7.397 1 U 1.180 0 e 0 0 0 334 1.783 7.397 1 U 5.500 0 e 0 0 0 335 3.185 7.396 1 U 0.650 0 e 0 0 0 336 0.986 7.396 1 U 9.690 0 e 0 0 0 337 0.923 7.396 1 U 2.530 0 e 0 0 0 338 3.353 7.395 1 U 4.480 0 e 0 0 0 339 1.638 7.394 1 U 5.920 0 e 0 0 0 340 3.507 7.391 1 U 0.110 0 e 0 0 0 341 2.663 7.391 1 U 0.230 0 e 0 0 0 342 1.255 7.373 1 U 0.370 0 e 0 0 0 343 0.719 7.372 1 U 0.630 0 e 0 0 0 344 4.298 7.371 1 U 30.820 0 e 0 0 0 345 3.356 7.371 1 U 9.200 0 e 0 0 0 346 1.780 7.371 1 U 10.840 0 e 0 0 0 347 1.633 7.371 1 U 15.020 0 e 0 0 0 348 0.989 7.371 1 U 25.920 0 e 0 0 0 349 0.932 7.371 1 U 11.720 0 e 0 0 0 350 4.233 7.370 1 U 0.970 0 e 0 0 0 351 3.113 7.351 1 U 0.080 0 e 0 0 0 352 3.049 7.350 1 U 0.900 0 e 0 0 0 353 7.272 7.348 1 U 2.240 0 e 0 0 0 354 1.775 7.338 1 U 0.710 0 e 0 0 0 355 3.360 7.336 1 U 0.850 0 e 0 0 0 356 1.252 7.336 1 U 0.060 0 e 0 0 0 357 4.489 7.334 1 U 4.160 0 e 0 0 0 358 4.297 7.334 1 U 14.960 0 e 0 0 0 359 4.217 7.334 1 U 0.460 0 e 0 0 0 360 2.327 7.334 1 U 5.810 0 e 0 0 0 361 3.639 7.333 1 U 1.630 0 e 0 0 0 362 1.636 7.333 1 U 19.340 0 e 0 0 0 363 0.977 7.333 1 U 26.440 0 e 0 0 0 364 1.165 7.330 1 U 0.090 0 e 0 0 0 365 0.864 7.329 1 U 0.570 0 e 0 0 0 366 1.976 7.326 1 U 0.170 0 e 0 0 0 367 1.976 7.278 1 U 3.510 0 e 0 0 0 368 4.214 7.276 1 U 2.540 0 e 0 0 0 369 3.689 7.276 1 U 1.650 0 e 0 0 0 370 3.594 7.275 1 U 3.530 0 e 0 0 0 371 0.849 7.275 1 U 2.190 0 e 0 0 0 372 0.986 7.274 1 U 15.080 0 e 0 0 0 373 0.911 7.274 1 U 0.850 0 e 0 0 0 374 1.683 7.273 1 U 4.780 0 e 0 0 0 375 1.596 7.273 1 U 7.170 0 e 0 0 0 376 1.413 7.273 1 U 2.670 0 e 0 0 0 377 1.172 7.272 1 U 1.660 0 e 0 0 0 378 7.206 7.269 1 U 24.840 0 e 0 0 0 379 6.652 7.205 1 U 0.220 0 e 0 0 0 380 2.598 7.203 1 U 2.760 0 e 0 0 0 381 0.921 7.203 1 U 0.160 0 e 0 0 0 382 1.779 7.202 1 U 5.130 0 e 0 0 0 383 0.985 7.202 1 U 8.120 0 e 0 0 0 384 3.054 7.201 1 U 5.360 0 e 0 0 0 385 1.635 7.201 1 U 8.030 0 e 0 0 0 386 3.359 7.200 1 U 1.940 0 e 0 0 0 387 3.360 7.151 1 U 0.520 0 e 0 0 0 388 0.986 7.151 1 U 2.140 0 e 0 0 0 389 3.053 7.150 1 U 0.560 0 e 0 0 0 390 1.780 7.150 1 U 2.450 0 e 0 0 0 391 1.637 7.149 1 U 1.780 0 e 0 0 0 392 6.911 7.056 1 U 1.000 0 e 0 0 0 393 3.058 6.909 1 U 4.520 0 e 0 0 0 394 2.599 6.909 1 U 4.240 0 e 0 0 0 395 1.975 6.820 1 U 8.900 0 e 0 0 0 396 3.658 6.819 1 U 2.230 0 e 0 0 0 397 1.092 6.819 1 U 1.640 0 e 0 0 0 398 4.450 6.818 1 U 0.850 0 e 0 0 0 399 4.017 6.818 1 U 1.940 0 e 0 0 0 400 0.986 6.818 1 U 1.030 0 e 0 0 0 401 1.555 6.817 1 U 4.460 0 e 0 0 0 402 0.895 6.817 1 U 0.530 0 e 0 0 0 403 2.929 6.652 1 U 0.910 0 e 0 0 0 404 4.724 6.651 1 U 0.990 0 e 0 0 0 405 3.355 6.650 1 U 15.530 0 e 0 0 0 406 1.780 6.650 1 U 12.510 0 e 0 0 0 407 3.057 6.649 1 U 4.740 0 e 0 0 0 408 2.598 6.648 1 U 4.800 0 e 0 0 0 409 0.719 5.359 1 U 9.200 0 e 0 0 0 410 0.939 5.358 1 U 0.610 0 e 0 0 0 411 1.255 5.357 1 U 1.150 0 e 0 0 0 412 0.998 5.355 1 U 5.450 0 e 0 0 0 413 0.999 5.325 1 U 1.330 0 e 0 0 0 414 3.053 5.323 1 U 0.820 0 e 0 0 0 415 1.780 5.323 1 U 0.630 0 e 0 0 0 416 3.858 5.322 1 U 6.070 0 e 0 0 0 417 3.504 5.321 1 U 7.540 0 e 0 0 0 418 3.349 5.321 1 U 3.560 0 e 0 0 0 419 3.053 5.143 1 U 15.270 0 e 0 0 0 420 2.931 5.141 1 U 2.660 0 e 0 0 0 421 1.784 5.141 1 U 1.110 0 e 0 0 0 422 1.369 5.123 1 U 1.600 0 e 0 0 0 423 2.930 5.122 1 U 5.840 0 e 0 0 0 424 2.735 5.122 1 U 7.790 0 e 0 0 0 425 2.347 4.765 1 U 0.480 0 e 0 0 0 426 2.036 4.765 1 U 0.370 0 e 0 0 0 427 3.179 4.753 1 U 1.040 0 e 0 0 0 428 0.717 4.733 1 U 2.770 0 e 0 0 0 429 3.060 4.732 1 U 9.690 0 e 0 0 0 430 2.600 4.732 1 U 10.150 0 e 0 0 0 431 1.815 4.711 1 U 0.680 0 e 0 0 0 432 1.646 4.711 1 U 2.680 0 e 0 0 0 433 3.904 4.710 1 U 7.210 0 e 0 0 0 434 3.641 4.710 1 U 6.570 0 e 0 0 0 435 0.964 4.710 1 U 5.240 0 e 0 0 0 436 1.589 4.709 1 U 4.830 0 e 0 0 0 437 3.904 4.670 1 U 2.310 0 e 0 0 0 438 3.798 4.668 1 U 10.410 0 e 0 0 0 439 3.642 4.668 1 U 11.620 0 e 0 0 0 440 2.275 4.668 1 U 9.220 0 e 0 0 0 441 2.108 4.668 1 U 1.650 0 e 0 0 0 442 2.004 4.668 1 U 8.740 0 e 0 0 0 443 3.598 4.659 1 U 12.030 0 e 0 0 0 444 3.694 4.657 1 U 9.240 0 e 0 0 0 445 1.411 4.657 1 U 1.530 0 e 0 0 0 446 0.860 4.657 1 U 8.260 0 e 0 0 0 447 1.595 4.655 1 U 3.070 0 e 0 0 0 448 1.170 4.655 1 U 3.450 0 e 0 0 0 449 2.191 4.649 1 U 0.470 0 e 0 0 0 450 2.333 4.590 1 U 0.710 0 e 0 0 0 451 3.603 4.574 1 U 2.050 0 e 0 0 0 452 1.512 4.573 1 U 3.020 0 e 0 0 0 453 4.170 4.572 1 U 23.430 0 e 0 0 0 454 2.621 4.572 1 U 12.000 0 e 0 0 0 455 2.109 4.572 1 U 15.910 0 e 0 0 0 456 2.037 4.572 1 U 3.080 0 e 0 0 0 457 1.785 4.572 1 U 5.410 0 e 0 0 0 458 1.698 4.572 1 U 10.510 0 e 0 0 0 459 1.628 4.572 1 U 1.500 0 e 0 0 0 460 1.464 4.572 1 U 2.340 0 e 0 0 0 461 3.514 4.571 1 U 1.400 0 e 0 0 0 462 2.926 4.571 1 U 0.320 0 e 0 0 0 463 2.295 4.554 1 U 0.660 0 e 0 0 0 464 1.990 4.541 1 U 7.060 0 e 0 0 0 465 2.230 4.539 1 U 6.160 0 e 0 0 0 466 1.164 4.530 1 U 0.700 0 e 0 0 0 467 3.639 4.529 1 U 23.180 0 e 0 0 0 468 0.955 4.525 1 U 3.350 0 e 0 0 0 469 0.880 4.525 1 U 2.920 0 e 0 0 0 470 2.226 4.519 1 U 17.240 0 e 0 0 0 471 2.146 4.519 1 U 1.660 0 e 0 0 0 472 1.992 4.519 1 U 13.670 0 e 0 0 0 473 1.208 4.519 1 U 0.910 0 e 0 0 0 474 3.639 4.510 1 U 25.650 0 e 0 0 0 475 1.165 4.504 1 U 1.260 0 e 0 0 0 476 2.328 4.491 1 U 17.210 0 e 0 0 0 477 0.967 4.491 1 U 13.760 0 e 0 0 0 478 1.011 4.490 1 U 16.240 0 e 0 0 0 479 0.861 4.490 1 U 5.590 0 e 0 0 0 480 1.365 4.474 1 U 1.160 0 e 0 0 0 481 1.096 4.455 1 U 5.130 0 e 0 0 0 482 1.551 4.454 1 U 6.340 0 e 0 0 0 483 1.238 4.454 1 U 0.670 0 e 0 0 0 484 0.986 4.454 1 U 13.350 0 e 0 0 0 485 0.898 4.454 1 U 3.960 0 e 0 0 0 486 3.652 4.450 1 U 6.660 0 e 0 0 0 487 2.022 4.449 1 U 6.640 0 e 0 0 0 488 1.975 4.449 1 U 13.430 0 e 0 0 0 489 2.239 4.448 1 U 14.470 0 e 0 0 0 490 2.089 4.448 1 U 1.010 0 e 0 0 0 491 1.763 4.448 1 U 0.360 0 e 0 0 0 492 2.735 4.445 1 U 0.670 0 e 0 0 0 493 2.510 4.444 1 U 1.420 0 e 0 0 0 494 1.370 4.442 1 U 24.880 0 e 0 0 0 495 0.719 4.442 1 U 6.370 0 e 0 0 0 496 1.438 4.413 1 U 0.110 0 e 0 0 0 497 0.917 4.389 1 U 0.800 0 e 0 0 0 498 1.682 4.381 1 U 2.600 0 e 0 0 0 499 1.985 4.374 1 U 0.740 0 e 0 0 0 500 1.769 4.368 1 U 4.070 0 e 0 0 0 501 0.933 4.366 1 U 5.340 0 e 0 0 0 502 1.653 4.364 1 U 8.060 0 e 0 0 0 503 1.746 4.357 1 U 3.810 0 e 0 0 0 504 2.308 4.340 1 U 0.080 0 e 0 0 0 505 2.732 4.324 1 U 6.620 0 e 0 0 0 506 2.439 4.324 1 U 11.500 0 e 0 0 0 507 1.532 4.324 1 U 13.110 0 e 0 0 0 508 2.510 4.323 1 U 8.970 0 e 0 0 0 509 1.368 4.323 1 U 0.650 0 e 0 0 0 510 1.151 4.323 1 U 0.700 0 e 0 0 0 511 1.640 4.322 1 U 16.230 0 e 0 0 0 512 2.948 4.319 1 U 1.050 0 e 0 0 0 513 1.795 4.319 1 U 1.300 0 e 0 0 0 514 3.091 4.317 1 U 3.130 0 e 0 0 0 515 2.237 4.317 1 U 0.240 0 e 0 0 0 516 1.994 4.316 1 U 1.660 0 e 0 0 0 517 1.210 4.316 1 U 24.270 0 e 0 0 0 518 1.777 4.303 1 U 2.040 0 e 0 0 0 519 1.637 4.301 1 U 30.680 0 e 0 0 0 520 0.985 4.301 1 U 23.010 0 e 0 0 0 521 0.935 4.301 1 U 20.990 0 e 0 0 0 522 1.206 4.296 1 U 22.310 0 e 0 0 0 523 1.149 4.247 1 U 0.800 0 e 0 0 0 524 0.963 4.246 1 U 0.430 0 e 0 0 0 525 1.210 4.244 1 U 23.480 0 e 0 0 0 526 0.975 4.217 1 U 8.980 0 e 0 0 0 527 3.687 4.216 1 U 3.510 0 e 0 0 0 528 1.684 4.216 1 U 34.550 0 e 0 0 0 529 1.158 4.216 1 U 4.780 0 e 0 0 0 530 1.226 4.214 1 U 7.000 0 e 0 0 0 531 0.916 4.214 1 U 26.340 0 e 0 0 0 532 3.592 4.212 1 U 3.420 0 e 0 0 0 533 2.035 4.187 1 U 0.140 0 e 0 0 0 534 1.593 4.187 1 U 13.230 0 e 0 0 0 535 1.304 4.187 1 U 9.920 0 e 0 0 0 536 1.091 4.187 1 U 23.390 0 e 0 0 0 537 0.968 4.187 1 U 6.000 0 e 0 0 0 538 0.917 4.187 1 U 21.950 0 e 0 0 0 539 2.467 4.186 1 U 7.960 0 e 0 0 0 540 1.195 4.183 1 U 3.090 0 e 0 0 0 541 3.685 4.175 1 U 2.960 0 e 0 0 0 542 2.936 4.175 1 U 3.110 0 e 0 0 0 543 3.603 4.174 1 U 2.260 0 e 0 0 0 544 3.514 4.174 1 U 2.540 0 e 0 0 0 545 2.621 4.174 1 U 1.680 0 e 0 0 0 546 2.035 4.174 1 U 0.330 0 e 0 0 0 547 3.062 4.173 1 U 1.950 0 e 0 0 0 548 2.106 4.173 1 U 2.300 0 e 0 0 0 549 1.697 4.173 1 U 21.220 0 e 0 0 0 550 1.510 4.173 1 U 4.120 0 e 0 0 0 551 1.785 4.172 1 U 11.400 0 e 0 0 0 552 1.463 4.172 1 U 5.150 0 e 0 0 0 553 1.209 4.155 1 U 2.010 0 e 0 0 0 554 3.922 4.124 1 U 19.490 0 e 0 0 0 555 3.671 4.123 1 U 16.890 0 e 0 0 0 556 2.141 4.123 1 U 0.740 0 e 0 0 0 557 1.765 4.123 1 U 9.330 0 e 0 0 0 558 1.680 4.123 1 U 10.340 0 e 0 0 0 559 1.156 4.123 1 U 11.040 0 e 0 0 0 560 0.951 4.123 1 U 15.710 0 e 0 0 0 561 0.887 4.123 1 U 3.920 0 e 0 0 0 562 1.989 4.122 1 U 1.350 0 e 0 0 0 563 1.688 4.019 1 U 3.420 0 e 0 0 0 564 1.237 4.018 1 U 28.380 0 e 0 0 0 565 0.982 4.018 1 U 1.720 0 e 0 0 0 566 0.910 4.018 1 U 0.540 0 e 0 0 0 567 3.661 4.012 1 U 82.320 0 e 0 0 0 568 1.669 3.950 1 U 0.390 0 e 0 0 0 569 2.438 3.923 1 U 0.670 0 e 0 0 0 570 2.226 3.923 1 U 4.330 0 e 0 0 0 571 1.765 3.922 1 U 0.620 0 e 0 0 0 572 1.680 3.922 1 U 9.750 0 e 0 0 0 573 3.083 3.921 1 U 0.900 0 e 0 0 0 574 2.736 3.920 1 U 0.440 0 e 0 0 0 575 0.892 3.920 1 U 1.480 0 e 0 0 0 576 3.667 3.919 1 U 79.440 0 e 0 0 0 577 1.157 3.919 1 U 0.410 0 e 0 0 0 578 0.953 3.918 1 U 7.490 0 e 0 0 0 579 2.134 3.917 1 U 10.900 0 e 0 0 0 580 1.996 3.917 1 U 24.560 0 e 0 0 0 581 2.004 3.906 1 U 23.640 0 e 0 0 0 582 3.642 3.904 1 U 107.850 0 e 0 0 0 583 2.120 3.904 1 U 13.230 0 e 0 0 0 584 1.590 3.904 1 U 3.180 0 e 0 0 0 585 2.272 3.903 1 U 3.160 0 e 0 0 0 586 1.659 3.902 1 U 4.890 0 e 0 0 0 587 0.955 3.902 1 U 3.860 0 e 0 0 0 588 2.514 3.868 1 U 0.640 0 e 0 0 0 589 1.531 3.867 1 U 1.410 0 e 0 0 0 590 3.070 3.858 1 U 1.200 0 e 0 0 0 591 3.505 3.854 1 U 39.910 0 e 0 0 0 592 1.531 3.853 1 U 1.810 0 e 0 0 0 593 2.121 3.833 1 U 0.580 0 e 0 0 0 594 2.006 3.833 1 U 3.250 0 e 0 0 0 595 3.642 3.796 1 U 72.000 0 e 0 0 0 596 2.251 3.796 1 U 5.590 0 e 0 0 0 597 2.092 3.796 1 U 10.890 0 e 0 0 0 598 2.012 3.796 1 U 21.510 0 e 0 0 0 599 1.241 3.712 1 U 2.290 0 e 0 0 0 600 1.870 3.694 1 U 16.360 0 e 0 0 0 601 3.594 3.693 1 U 87.190 0 e 0 0 0 602 2.071 3.693 1 U 22.800 0 e 0 0 0 603 0.860 3.693 1 U 1.700 0 e 0 0 0 604 2.345 3.684 1 U 5.590 0 e 0 0 0 605 1.238 3.681 1 U 19.870 0 e 0 0 0 606 1.679 3.675 1 U 9.630 0 e 0 0 0 607 1.160 3.675 1 U 2.330 0 e 0 0 0 608 3.087 3.674 1 U 3.560 0 e 0 0 0 609 2.440 3.674 1 U 2.230 0 e 0 0 0 610 2.224 3.673 1 U 3.840 0 e 0 0 0 611 0.953 3.673 1 U 19.990 0 e 0 0 0 612 2.946 3.672 1 U 1.910 0 e 0 0 0 613 0.889 3.672 1 U 3.470 0 e 0 0 0 614 2.735 3.671 1 U 0.810 0 e 0 0 0 615 2.143 3.671 1 U 19.860 0 e 0 0 0 616 1.992 3.671 1 U 28.410 0 e 0 0 0 617 1.372 3.671 1 U 0.440 0 e 0 0 0 618 1.168 3.649 1 U 4.190 0 e 0 0 0 619 0.963 3.649 1 U 17.380 0 e 0 0 0 620 0.878 3.649 1 U 6.100 0 e 0 0 0 621 2.739 3.647 1 U 0.310 0 e 0 0 0 622 1.013 3.647 1 U 1.820 0 e 0 0 0 623 1.591 3.645 1 U 11.980 0 e 0 0 0 624 2.106 3.642 1 U 37.160 0 e 0 0 0 625 2.008 3.642 1 U 35.640 0 e 0 0 0 626 2.273 3.641 1 U 8.220 0 e 0 0 0 627 1.168 3.629 1 U 4.520 0 e 0 0 0 628 1.014 3.628 1 U 1.660 0 e 0 0 0 629 0.876 3.628 1 U 8.040 0 e 0 0 0 630 2.621 3.601 1 U 4.410 0 e 0 0 0 631 1.253 3.601 1 U 1.010 0 e 0 0 0 632 3.514 3.600 1 U 110.260 0 e 0 0 0 633 2.098 3.600 1 U 34.640 0 e 0 0 0 634 2.045 3.600 1 U 41.060 0 e 0 0 0 635 1.695 3.600 1 U 20.550 0 e 0 0 0 636 1.299 3.600 1 U 0.740 0 e 0 0 0 637 0.922 3.599 1 U 2.030 0 e 0 0 0 638 1.595 3.598 1 U 3.200 0 e 0 0 0 639 0.861 3.596 1 U 1.970 0 e 0 0 0 640 1.870 3.595 1 U 13.490 0 e 0 0 0 641 1.170 3.595 1 U 0.280 0 e 0 0 0 642 0.990 3.591 1 U 1.220 0 e 0 0 0 643 2.346 3.590 1 U 5.920 0 e 0 0 0 644 2.065 3.589 1 U 40.130 0 e 0 0 0 645 1.979 3.538 1 U 1.960 0 e 0 0 0 646 1.975 3.525 1 U 0.960 0 e 0 0 0 647 1.917 3.516 1 U 0.660 0 e 0 0 0 648 2.620 3.515 1 U 3.340 0 e 0 0 0 649 2.106 3.514 1 U 8.430 0 e 0 0 0 650 1.524 3.514 1 U 0.450 0 e 0 0 0 651 1.090 3.514 1 U 0.450 0 e 0 0 0 652 0.920 3.514 1 U 1.970 0 e 0 0 0 653 3.055 3.513 1 U 3.920 0 e 0 0 0 654 2.037 3.513 1 U 21.180 0 e 0 0 0 655 1.695 3.513 1 U 28.880 0 e 0 0 0 656 1.594 3.513 1 U 4.320 0 e 0 0 0 657 1.304 3.513 1 U 3.580 0 e 0 0 0 658 2.463 3.512 1 U 1.030 0 e 0 0 0 659 1.971 3.511 1 U 0.790 0 e 0 0 0 660 1.917 3.502 1 U 0.450 0 e 0 0 0 661 1.529 3.498 1 U 0.550 0 e 0 0 0 662 2.456 3.497 1 U 0.480 0 e 0 0 0 663 3.057 3.496 1 U 3.680 0 e 0 0 0 664 0.992 3.361 1 U 3.170 0 e 0 0 0 665 1.781 3.360 1 U 47.390 0 e 0 0 0 666 1.781 3.345 1 U 47.390 0 e 0 0 0 667 2.952 3.184 1 U 0.480 0 e 0 0 0 668 2.801 3.166 1 U 0.310 0 e 0 0 0 669 2.973 3.128 1 U 0.910 0 e 0 0 0 670 2.876 3.099 1 U 0.170 0 e 0 0 0 671 2.950 3.096 1 U 35.400 0 e 0 0 0 672 2.438 3.096 1 U 1.210 0 e 0 0 0 673 2.949 3.079 1 U 43.190 0 e 0 0 0 674 2.438 3.079 1 U 1.700 0 e 0 0 0 675 2.737 3.077 1 U 1.330 0 e 0 0 0 676 2.835 3.071 1 U 3.530 0 e 0 0 0 677 2.672 3.070 1 U 0.430 0 e 0 0 0 678 2.600 3.070 1 U 62.880 0 e 0 0 0 679 0.917 3.055 1 U 0.900 0 e 0 0 0 680 1.783 3.054 1 U 1.790 0 e 0 0 0 681 1.091 3.054 1 U 0.770 0 e 0 0 0 682 2.835 3.053 1 U 4.550 0 e 0 0 0 683 2.466 3.052 1 U 2.570 0 e 0 0 0 684 2.599 3.051 1 U 66.140 0 e 0 0 0 685 1.595 3.051 1 U 0.870 0 e 0 0 0 686 2.669 3.049 1 U 0.630 0 e 0 0 0 687 2.884 3.031 1 U 1.510 0 e 0 0 0 688 2.885 3.014 1 U 2.320 0 e 0 0 0 689 2.439 2.950 1 U 0.280 0 e 0 0 0 690 1.781 2.950 1 U 0.410 0 e 0 0 0 691 1.464 2.948 1 U 0.350 0 e 0 0 0 692 1.690 2.947 1 U 0.780 0 e 0 0 0 693 1.634 2.947 1 U 0.370 0 e 0 0 0 694 1.515 2.946 1 U 1.500 0 e 0 0 0 695 2.665 2.932 1 U 0.870 0 e 0 0 0 696 2.736 2.930 1 U 87.230 0 e 0 0 0 697 1.789 2.925 1 U 1.520 0 e 0 0 0 698 1.641 2.922 1 U 4.790 0 e 0 0 0 699 1.375 2.918 1 U 0.410 0 e 0 0 0 700 1.692 2.917 1 U 1.850 0 e 0 0 0 701 1.513 2.914 1 U 6.080 0 e 0 0 0 702 1.463 2.913 1 U 4.920 0 e 0 0 0 703 1.632 2.911 1 U 7.660 0 e 0 0 0 704 1.096 2.745 1 U 0.180 0 e 0 0 0 705 1.774 2.734 1 U 1.280 0 e 0 0 0 706 1.612 2.734 1 U 4.950 0 e 0 0 0 707 1.478 2.732 1 U 3.370 0 e 0 0 0 708 1.368 2.732 1 U 1.420 0 e 0 0 0 709 1.163 2.732 1 U 1.460 0 e 0 0 0 710 2.439 2.731 1 U 58.760 0 e 0 0 0 711 1.093 2.731 1 U 0.190 0 e 0 0 0 712 2.508 2.730 1 U 32.210 0 e 0 0 0 713 1.681 2.730 1 U 5.090 0 e 0 0 0 714 1.532 2.730 1 U 16.880 0 e 0 0 0 715 0.968 2.730 1 U 0.800 0 e 0 0 0 716 0.892 2.730 1 U 6.300 0 e 0 0 0 717 1.974 2.729 1 U 1.110 0 e 0 0 0 718 2.314 2.623 1 U 1.190 0 e 0 0 0 719 1.800 2.619 1 U 2.220 0 e 0 0 0 720 2.108 2.618 1 U 87.460 0 e 0 0 0 721 2.038 2.618 1 U 22.690 0 e 0 0 0 722 1.696 2.618 1 U 21.730 0 e 0 0 0 723 0.916 2.618 1 U 0.270 0 e 0 0 0 724 2.035 2.598 1 U 3.430 0 e 0 0 0 725 1.692 2.597 1 U 2.590 0 e 0 0 0 726 2.104 2.589 1 U 9.200 0 e 0 0 0 727 1.531 2.510 1 U 55.690 0 e 0 0 0 728 1.592 2.464 1 U 38.500 0 e 0 0 0 729 1.304 2.464 1 U 17.090 0 e 0 0 0 730 1.090 2.464 1 U 36.780 0 e 0 0 0 731 0.917 2.464 1 U 11.210 0 e 0 0 0 732 2.184 2.451 1 U 4.510 0 e 0 0 0 733 1.160 2.451 1 U 0.820 0 e 0 0 0 734 0.958 2.451 1 U 0.950 0 e 0 0 0 735 1.677 2.441 1 U 5.390 0 e 0 0 0 736 1.523 2.441 1 U 23.930 0 e 0 0 0 737 0.945 2.439 1 U 1.480 0 e 0 0 0 738 0.898 2.436 1 U 2.920 0 e 0 0 0 739 1.162 2.435 1 U 1.090 0 e 0 0 0 740 1.088 2.427 1 U 2.610 0 e 0 0 0 741 0.893 2.423 1 U 0.870 0 e 0 0 0 742 1.752 2.420 1 U 1.340 0 e 0 0 0 743 1.973 2.415 1 U 1.140 0 e 0 0 0 744 2.191 2.411 1 U 8.350 0 e 0 0 0 745 1.091 2.381 1 U 0.680 0 e 0 0 0 746 2.039 2.346 1 U 95.680 0 e 0 0 0 747 1.253 2.346 1 U 4.460 0 e 0 0 0 748 1.863 2.339 1 U 23.830 0 e 0 0 0 749 1.082 2.333 1 U 0.330 0 e 0 0 0 750 1.631 2.326 1 U 1.130 0 e 0 0 0 751 1.013 2.326 1 U 32.280 0 e 0 0 0 752 0.965 2.326 1 U 34.190 0 e 0 0 0 753 0.862 2.324 1 U 0.930 0 e 0 0 0 754 2.187 2.308 1 U 0.490 0 e 0 0 0 755 2.186 2.298 1 U 0.740 0 e 0 0 0 756 2.114 2.275 1 U 13.200 0 e 0 0 0 757 2.004 2.273 1 U 94.930 0 e 0 0 0 758 0.960 2.230 1 U 0.960 0 e 0 0 0 759 1.989 2.227 1 U 197.450 0 e 0 0 0 760 2.148 2.223 1 U 12.160 0 e 0 0 0 761 1.994 2.141 1 U 100.390 0 e 0 0 0 762 0.956 2.141 1 U 1.750 0 e 0 0 0 763 2.013 2.112 1 U 193.750 0 e 0 0 0 764 1.696 2.106 1 U 14.440 0 e 0 0 0 765 0.721 2.073 1 U 0.780 0 e 0 0 0 766 1.870 2.071 1 U 84.630 0 e 0 0 0 767 1.256 2.070 1 U 8.010 0 e 0 0 0 768 0.932 2.070 1 U 4.470 0 e 0 0 0 769 1.871 2.038 1 U 60.770 0 e 0 0 0 770 1.256 2.038 1 U 13.020 0 e 0 0 0 771 0.926 2.038 1 U 7.430 0 e 0 0 0 772 0.719 2.038 1 U 2.630 0 e 0 0 0 773 1.695 2.036 1 U 79.490 0 e 0 0 0 774 1.692 1.989 1 U 5.130 0 e 0 0 0 775 1.692 1.977 1 U 4.690 0 e 0 0 0 776 1.170 1.975 1 U 11.450 0 e 0 0 0 777 0.896 1.975 1 U 20.760 0 e 0 0 0 778 1.751 1.974 1 U 4.600 0 e 0 0 0 779 1.593 1.972 1 U 20.240 0 e 0 0 0 780 1.560 1.972 1 U 20.300 0 e 0 0 0 781 0.986 1.972 1 U 37.920 0 e 0 0 0 782 1.093 1.970 1 U 9.950 0 e 0 0 0 783 0.840 1.970 1 U 4.330 0 e 0 0 0 784 1.689 1.875 1 U 1.930 0 e 0 0 0 785 0.719 1.870 1 U 2.340 0 e 0 0 0 786 0.986 1.869 1 U 6.840 0 e 0 0 0 787 0.933 1.869 1 U 8.930 0 e 0 0 0 788 1.256 1.868 1 U 17.740 0 e 0 0 0 789 0.962 1.814 1 U 20.790 0 e 0 0 0 790 1.653 1.811 1 U 8.880 0 e 0 0 0 791 1.592 1.811 1 U 7.340 0 e 0 0 0 792 1.515 1.780 1 U 4.740 0 e 0 0 0 793 1.697 1.779 1 U 127.480 0 e 0 0 0 794 1.469 1.779 1 U 3.020 0 e 0 0 0 795 0.956 1.764 1 U 39.100 0 e 0 0 0 796 1.156 1.762 1 U 77.570 0 e 0 0 0 797 0.886 1.761 1 U 24.850 0 e 0 0 0 798 1.657 1.747 1 U 72.590 0 e 0 0 0 799 1.518 1.699 1 U 2.500 0 e 0 0 0 800 1.469 1.695 1 U 2.460 0 e 0 0 0 801 0.911 1.687 1 U 90.260 0 e 0 0 0 802 1.236 1.685 1 U 3.950 0 e 0 0 0 803 1.515 1.682 1 U 1.870 0 e 0 0 0 804 1.470 1.681 1 U 0.780 0 e 0 0 0 805 1.408 1.681 1 U 1.560 0 e 0 0 0 806 0.961 1.681 1 U 132.770 0 e 0 0 0 807 1.156 1.676 1 U 18.830 0 e 0 0 0 808 0.899 1.675 1 U 58.110 0 e 0 0 0 809 0.973 1.641 1 U 61.830 0 e 0 0 0 810 1.516 1.622 1 U 4.510 0 e 0 0 0 811 1.473 1.622 1 U 3.650 0 e 0 0 0 812 0.975 1.595 1 U 75.340 0 e 0 0 0 813 1.407 1.593 1 U 5.020 0 e 0 0 0 814 1.169 1.593 1 U 79.670 0 e 0 0 0 815 0.845 1.593 1 U 32.230 0 e 0 0 0 816 0.914 1.592 1 U 74.350 0 e 0 0 0 817 1.303 1.591 1 U 72.080 0 e 0 0 0 818 1.090 1.588 1 U 33.520 0 e 0 0 0 819 0.983 1.553 1 U 16.800 0 e 0 0 0 820 1.094 1.552 1 U 84.640 0 e 0 0 0 821 0.896 1.552 1 U 38.260 0 e 0 0 0 822 1.165 1.549 1 U 35.400 0 e 0 0 0 823 0.990 1.410 1 U 0.530 0 e 0 0 0 824 0.850 1.409 1 U 53.130 0 e 0 0 0 825 1.171 1.406 1 U 5.690 0 e 0 0 0 826 1.209 1.345 1 U 6.440 0 e 0 0 0 827 1.090 1.303 1 U 9.110 0 e 0 0 0 828 0.918 1.301 1 U 16.700 0 e 0 0 0 829 1.017 1.256 1 U 7.580 0 e 0 0 0 830 0.720 1.253 1 U 27.450 0 e 0 0 0 831 0.932 1.252 1 U 26.530 0 e 0 0 0 832 0.874 1.165 1 U 40.010 0 e 0 0 0 833 0.946 1.157 1 U 0.280 0 e 0 0 0 834 0.882 1.154 1 U 40.010 0 e 0 0 0 835 0.912 1.089 1 U 28.490 0 e 0 0 0 836 0.721 1.021 1 U 8.490 0 e 0 0 0 837 0.858 1.010 1 U 7.340 0 e 0 0 0 838 0.719 0.931 1 U 12.280 0 e 0 0 0 ; 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 H . . 12.01 ppm . . . 4.93 . . 30651 1 stop_ save_