data_34283 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34283 _Entry.Title ; NMR structure of temporin L in SDS micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-13 _Entry.Accession_date 2018-06-13 _Entry.Last_release_date 2018-07-09 _Entry.Original_release_date 2018-07-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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' 34283 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 G. Manzo G. . . . 34283 2 J. Mason J. A. . . 34283 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AMP . 34283 'ANTIMICROBIAL PROTEIN' . 34283 'SDS micelle' . 34283 'temporin L' . 34283 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34283 spectral_peak_list 1 34283 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 92 34283 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 . . 2018-07-13 . original BMRB . 34283 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6GS5 . 34283 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34283 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Parallel evolution of frog antimicrobial peptides produces identical conformations but subtly distinct membrane activity and spectrum of potency ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _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 G. Manzo G. . . . 34283 1 2 P. Ferguson P. M. . . 34283 1 3 V. Gustilo V. B. . . 34283 1 4 A. Hind A. . . . 34283 1 5 T. Bui T. T. . . 34283 1 6 R. Atkinson R. A. . . 34283 1 7 C. Lorenz C. D. . . 34283 1 8 D. Phoenix D. A. . . 34283 1 9 J. Mason J. A. . . 34283 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34283 _Assembly.ID 1 _Assembly.Name Temporin-B _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 . . . . . . 34283 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34283 _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 ; FVQWFSKFLGRIL ; _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 13 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1642.983 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'TemporinL is an antimicrobial peptide found in Rana temporaria.' _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 . PHE . 34283 1 2 . VAL . 34283 1 3 . GLN . 34283 1 4 . TRP . 34283 1 5 . PHE . 34283 1 6 . SER . 34283 1 7 . LYS . 34283 1 8 . PHE . 34283 1 9 . LEU . 34283 1 10 . GLY . 34283 1 11 . ARG . 34283 1 12 . ILE . 34283 1 13 . LEU . 34283 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 . PHE 1 1 34283 1 . VAL 2 2 34283 1 . GLN 3 3 34283 1 . TRP 4 4 34283 1 . PHE 5 5 34283 1 . SER 6 6 34283 1 . LYS 7 7 34283 1 . PHE 8 8 34283 1 . LEU 9 9 34283 1 . GLY 10 10 34283 1 . ARG 11 11 34283 1 . ILE 12 12 34283 1 . LEU 13 13 34283 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 34283 _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 . 8407 organism . 'Rana temporaria' 'European common frog' . . Eukaryota Metazoa Rana temporaria . . . . . . . . . . . . . 34283 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 34283 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34283 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34283 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 2 mM Temporin L, 100 mM [U-2H] deuterated sodium dodecyl sulphate, 0.05 % w/w 2H 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, 90% H2O/10% D2O ; _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 'Temporin L' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 34283 1 2 'deuterated sodium dodecyl sulphate' [U-2H] . . . . . . 100 . . mM . . . . 34283 1 3 '3-(trimethylsilyl)propionic-2,2,3,3-d4 acid' [U-2H] . . . . . . 0.05 . . '% w/w' . . . . 34283 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 34283 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 34283 1 pressure 1 . atm 34283 1 temperature 298 . K 34283 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34283 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34283 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34283 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34283 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34283 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34283 2 'peak picking' 34283 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34283 _Software.ID 3 _Software.Type . _Software.Name X-PLOR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 34283 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34283 3 'structure calculation' 34283 3 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 34283 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34283 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 500 . . . 34283 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 34283 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34283 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34283 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 34283 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34283 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 34283 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 34283 1 2 '2D 1H-1H NOESY' . . . 34283 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 PHE HA H 1 4.409 0.020 . . . . . . A 1 PHE HA . 34283 1 2 . 1 1 1 1 PHE HB2 H 1 3.255 0.020 . . . . . . A 1 PHE HB2 . 34283 1 3 . 1 1 1 1 PHE HB3 H 1 3.255 0.020 . . . . . . A 1 PHE HB3 . 34283 1 4 . 1 1 2 2 VAL H H 1 7.810 0.020 . . . . . . A 2 VAL H . 34283 1 5 . 1 1 2 2 VAL HA H 1 3.924 0.020 . . . . . . A 2 VAL HA . 34283 1 6 . 1 1 2 2 VAL HB H 1 1.938 0.020 . . . . . . A 2 VAL HB . 34283 1 7 . 1 1 2 2 VAL HG11 H 1 0.778 0.020 . . . . . . A 2 VAL HG11 . 34283 1 8 . 1 1 2 2 VAL HG12 H 1 0.778 0.020 . . . . . . A 2 VAL HG12 . 34283 1 9 . 1 1 2 2 VAL HG13 H 1 0.778 0.020 . . . . . . A 2 VAL HG13 . 34283 1 10 . 1 1 2 2 VAL HG21 H 1 0.778 0.020 . . . . . . A 2 VAL HG21 . 34283 1 11 . 1 1 2 2 VAL HG22 H 1 0.778 0.020 . . . . . . A 2 VAL HG22 . 34283 1 12 . 1 1 2 2 VAL HG23 H 1 0.778 0.020 . . . . . . A 2 VAL HG23 . 34283 1 13 . 1 1 3 3 GLN H H 1 8.616 0.020 . . . . . . A 3 GLN H . 34283 1 14 . 1 1 3 3 GLN HA H 1 4.204 0.020 . . . . . . A 3 GLN HA . 34283 1 15 . 1 1 3 3 GLN HB2 H 1 2.140 0.020 . . . . . . A 3 GLN HB2 . 34283 1 16 . 1 1 3 3 GLN HB3 H 1 2.140 0.020 . . . . . . A 3 GLN HB3 . 34283 1 17 . 1 1 3 3 GLN HG2 H 1 2.382 0.020 . . . . . . A 3 GLN HG2 . 34283 1 18 . 1 1 3 3 GLN HG3 H 1 2.382 0.020 . . . . . . A 3 GLN HG3 . 34283 1 19 . 1 1 4 4 TRP H H 1 7.648 0.020 . . . . . . A 4 TRP H . 34283 1 20 . 1 1 4 4 TRP HA H 1 4.276 0.020 . . . . . . A 4 TRP HA . 34283 1 21 . 1 1 4 4 TRP HB2 H 1 3.257 0.020 . . . . . . A 4 TRP HB2 . 34283 1 22 . 1 1 4 4 TRP HB3 H 1 3.152 0.020 . . . . . . A 4 TRP HB3 . 34283 1 23 . 1 1 5 5 PHE H H 1 7.543 0.020 . . . . . . A 5 PHE H . 34283 1 24 . 1 1 5 5 PHE HA H 1 4.177 0.020 . . . . . . A 5 PHE HA . 34283 1 25 . 1 1 5 5 PHE HB2 H 1 2.720 0.020 . . . . . . A 5 PHE HB2 . 34283 1 26 . 1 1 5 5 PHE HB3 H 1 2.961 0.020 . . . . . . A 5 PHE HB3 . 34283 1 27 . 1 1 6 6 SER H H 1 8.169 0.020 . . . . . . A 6 SER H . 34283 1 28 . 1 1 6 6 SER HA H 1 4.005 0.020 . . . . . . A 6 SER HA . 34283 1 29 . 1 1 6 6 SER HB2 H 1 3.961 0.020 . . . . . . A 6 SER HB2 . 34283 1 30 . 1 1 6 6 SER HB3 H 1 3.961 0.020 . . . . . . A 6 SER HB3 . 34283 1 31 . 1 1 7 7 LYS H H 1 7.715 0.020 . . . . . . A 7 LYS H . 34283 1 32 . 1 1 7 7 LYS HA H 1 4.036 0.020 . . . . . . A 7 LYS HA . 34283 1 33 . 1 1 7 7 LYS HB2 H 1 1.831 0.020 . . . . . . A 7 LYS HB2 . 34283 1 34 . 1 1 7 7 LYS HB3 H 1 1.831 0.020 . . . . . . A 7 LYS HB3 . 34283 1 35 . 1 1 7 7 LYS HG2 H 1 1.334 0.020 . . . . . . A 7 LYS HG2 . 34283 1 36 . 1 1 7 7 LYS HG3 H 1 1.300 0.020 . . . . . . A 7 LYS HG3 . 34283 1 37 . 1 1 7 7 LYS HD2 H 1 1.597 0.020 . . . . . . A 7 LYS HD2 . 34283 1 38 . 1 1 7 7 LYS HD3 H 1 1.597 0.020 . . . . . . A 7 LYS HD3 . 34283 1 39 . 1 1 7 7 LYS HE2 H 1 2.872 0.020 . . . . . . A 7 LYS HE2 . 34283 1 40 . 1 1 7 7 LYS HE3 H 1 2.872 0.020 . . . . . . A 7 LYS HE3 . 34283 1 41 . 1 1 7 7 LYS HZ1 H 1 7.361 0.020 . . . . . . A 7 LYS HZ1 . 34283 1 42 . 1 1 7 7 LYS HZ2 H 1 7.361 0.020 . . . . . . A 7 LYS HZ2 . 34283 1 43 . 1 1 7 7 LYS HZ3 H 1 7.361 0.020 . . . . . . A 7 LYS HZ3 . 34283 1 44 . 1 1 8 8 PHE H H 1 7.910 0.020 . . . . . . A 8 PHE H . 34283 1 45 . 1 1 8 8 PHE HA H 1 4.272 0.020 . . . . . . A 8 PHE HA . 34283 1 46 . 1 1 8 8 PHE HB2 H 1 3.018 0.020 . . . . . . A 8 PHE HB2 . 34283 1 47 . 1 1 8 8 PHE HB3 H 1 2.949 0.020 . . . . . . A 8 PHE HB3 . 34283 1 48 . 1 1 9 9 LEU H H 1 8.199 0.020 . . . . . . A 9 LEU H . 34283 1 49 . 1 1 9 9 LEU HA H 1 3.764 0.020 . . . . . . A 9 LEU HA . 34283 1 50 . 1 1 9 9 LEU HB2 H 1 1.584 0.020 . . . . . . A 9 LEU HB2 . 34283 1 51 . 1 1 9 9 LEU HB3 H 1 1.547 0.020 . . . . . . A 9 LEU HB3 . 34283 1 52 . 1 1 9 9 LEU HG H 1 1.407 0.020 . . . . . . A 9 LEU HG . 34283 1 53 . 1 1 9 9 LEU HD11 H 1 0.774 0.020 . . . . . . A 9 LEU HD11 . 34283 1 54 . 1 1 9 9 LEU HD12 H 1 0.774 0.020 . . . . . . A 9 LEU HD12 . 34283 1 55 . 1 1 9 9 LEU HD13 H 1 0.774 0.020 . . . . . . A 9 LEU HD13 . 34283 1 56 . 1 1 9 9 LEU HD21 H 1 0.774 0.020 . . . . . . A 9 LEU HD21 . 34283 1 57 . 1 1 9 9 LEU HD22 H 1 0.774 0.020 . . . . . . A 9 LEU HD22 . 34283 1 58 . 1 1 9 9 LEU HD23 H 1 0.774 0.020 . . . . . . A 9 LEU HD23 . 34283 1 59 . 1 1 10 10 GLY H H 1 8.022 0.020 . . . . . . A 10 GLY H . 34283 1 60 . 1 1 10 10 GLY HA2 H 1 3.809 0.020 . . . . . . A 10 GLY HA2 . 34283 1 61 . 1 1 10 10 GLY HA3 H 1 3.755 0.020 . . . . . . A 10 GLY HA3 . 34283 1 62 . 1 1 11 11 ARG H H 1 7.573 0.020 . . . . . . A 11 ARG H . 34283 1 63 . 1 1 11 11 ARG HA H 1 4.158 0.020 . . . . . . A 11 ARG HA . 34283 1 64 . 1 1 11 11 ARG HB2 H 1 1.928 0.020 . . . . . . A 11 ARG HB2 . 34283 1 65 . 1 1 11 11 ARG HB3 H 1 1.928 0.020 . . . . . . A 11 ARG HB3 . 34283 1 66 . 1 1 11 11 ARG HG2 H 1 1.665 0.020 . . . . . . A 11 ARG HG2 . 34283 1 67 . 1 1 11 11 ARG HG3 H 1 1.592 0.020 . . . . . . A 11 ARG HG3 . 34283 1 68 . 1 1 11 11 ARG HD2 H 1 3.228 0.020 . . . . . . A 11 ARG HD2 . 34283 1 69 . 1 1 11 11 ARG HD3 H 1 3.150 0.020 . . . . . . A 11 ARG HD3 . 34283 1 70 . 1 1 11 11 ARG HE H 1 7.226 0.020 . . . . . . A 11 ARG HE . 34283 1 71 . 1 1 12 12 ILE H H 1 7.576 0.020 . . . . . . A 12 ILE H . 34283 1 72 . 1 1 12 12 ILE HA H 1 3.947 0.020 . . . . . . A 12 ILE HA . 34283 1 73 . 1 1 12 12 ILE HB H 1 1.739 0.020 . . . . . . A 12 ILE HB . 34283 1 74 . 1 1 12 12 ILE HG12 H 1 1.006 0.020 . . . . . . A 12 ILE HG12 . 34283 1 75 . 1 1 12 12 ILE HG13 H 1 1.277 0.020 . . . . . . A 12 ILE HG13 . 34283 1 76 . 1 1 12 12 ILE HG21 H 1 0.757 0.020 . . . . . . A 12 ILE HG21 . 34283 1 77 . 1 1 12 12 ILE HG22 H 1 0.757 0.020 . . . . . . A 12 ILE HG22 . 34283 1 78 . 1 1 12 12 ILE HG23 H 1 0.757 0.020 . . . . . . A 12 ILE HG23 . 34283 1 79 . 1 1 12 12 ILE HD11 H 1 0.620 0.020 . . . . . . A 12 ILE HD11 . 34283 1 80 . 1 1 12 12 ILE HD12 H 1 0.620 0.020 . . . . . . A 12 ILE HD12 . 34283 1 81 . 1 1 12 12 ILE HD13 H 1 0.620 0.020 . . . . . . A 12 ILE HD13 . 34283 1 82 . 1 1 13 13 LEU H H 1 7.998 0.020 . . . . . . A 13 LEU H . 34283 1 83 . 1 1 13 13 LEU HA H 1 4.251 0.020 . . . . . . A 13 LEU HA . 34283 1 84 . 1 1 13 13 LEU HB2 H 1 1.665 0.020 . . . . . . A 13 LEU HB2 . 34283 1 85 . 1 1 13 13 LEU HB3 H 1 1.712 0.020 . . . . . . A 13 LEU HB3 . 34283 1 86 . 1 1 13 13 LEU HG H 1 1.536 0.020 . . . . . . A 13 LEU HG . 34283 1 87 . 1 1 13 13 LEU HD11 H 1 0.850 0.020 . . . . . . A 13 LEU HD11 . 34283 1 88 . 1 1 13 13 LEU HD12 H 1 0.850 0.020 . . . . . . A 13 LEU HD12 . 34283 1 89 . 1 1 13 13 LEU HD13 H 1 0.850 0.020 . . . . . . A 13 LEU HD13 . 34283 1 90 . 1 1 13 13 LEU HD21 H 1 0.850 0.020 . . . . . . A 13 LEU HD21 . 34283 1 91 . 1 1 13 13 LEU HD22 H 1 0.850 0.020 . . . . . . A 13 LEU HD22 . 34283 1 92 . 1 1 13 13 LEU HD23 H 1 0.850 0.020 . . . . . . A 13 LEU HD23 . 34283 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 34283 _Spectral_peak_list.ID 1 _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 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 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format test _Spectral_peak_list.Text_data ; # Number of dimensions 2 #FORMAT xeasy2D #INAME 1 H #INAME 2 H # NMR peak file from UNIO # UNIO version 2.0.3 # File format : xeasy # File generated: 2018 June 11th, 20:08:57 #ATNOSCANDIDKIND hh #ATNOSCANDIDTYPE noesy_all 1 8.167 8.620 1 U 5.331E+04 9.033E+03 e 0 61 1 #VC 1.00000 #SUP 7.32 2 7.818 8.621 1 U 5.931E+05 8.632E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 3 7.655 8.621 1 U 1.102E+06 8.696E+03 e 0 22 1 #VC 1.00000 #SUP 9.95 4 7.552 8.621 1 U 1.207E+05 8.632E+03 e 0 35 1 #VC 1.00000 #SUP 7.94 5 4.284 8.621 1 U 1.232E+05 8.718E+03 e 0 23 1 #VC 1.00000 #SUP 6.41 6 4.205 8.621 1 U 2.024E+06 8.632E+03 e 0 2 1 #VC 1.00000 #SUP 6.17 7 3.927 8.621 1 U 3.659E+06 8.984E+03 e 0 58 1 #VC 1.00000 #SUP 8.49 8 3.258 8.622 1 U 1.934E+05 9.033E+03 e 0 24 1 #VC 1.00000 #SUP 8.15 9 3.140 8.622 1 U 9.110E+04 8.656E+03 e 0 25 1 #VC 1.00000 #SUP 7.02 10 2.383 8.621 1 U 1.410E+06 8.850E+03 e 0 3 1 #VC 1.00000 #SUP 8.06 11 2.143 8.621 1 U 3.055E+06 8.632E+03 e 0 4 1 #VC 1.00000 #SUP 8.06 12 1.947 8.621 1 U 9.619E+05 8.751E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 13 0.777 8.621 1 U 1.604E+06 9.525E+03 e 0 60 1 #VC 1.00000 #SUP 8.91 14 8.021 8.204 1 U 1.204E+06 9.242E+03 e 0 69 47 #VC 1.00000 #SUP 8.71 15 7.914 8.203 1 U 1.210E+06 9.156E+03 e 0 26 47 #VC 1.00000 #SUP 9.57 16 4.272 8.203 1 U 5.014E+05 9.441E+03 e 0 27 47 #VC 1.00000 #SUP 6.16 17 4.174 8.203 1 U 2.116E+05 9.487E+03 e 0 31 47 #VC 1.00000 #SUP 2.13 18 4.013 8.203 1 U 6.541E+05 9.102E+03 e 0 68 47 #VC 1.00000 #SUP 6.84 19 3.759 8.204 1 U 1.599E+06 9.147E+03 e 0 48 47 #VC 1.00000 #SUP 8.66 20 3.014 8.203 1 U 1.074E+06 9.198E+03 e 0 28 47 #VC 1.00000 #SUP 8.18 21 2.953 8.203 1 U 9.106E+05 9.347E+03 e 0 29 47 #VC 1.00000 #SUP 9.19 22 1.828 8.204 1 U 9.385E+04 9.163E+03 e 0 7 47 #VC 1.00000 #SUP 5.11 23 1.578 8.203 1 U 2.468E+06 9.194E+03 e 0 51 47 #VC 1.00000 #SUP 8.13 24 1.407 8.204 1 U 1.188E+06 8.785E+03 e 0 50 47 #VC 1.00000 #SUP 7.06 25 1.290 8.203 1 U 5.039E+04 9.316E+03 e 0 42 47 #VC 1.00000 #SUP 4.24 26 0.858 8.204 1 U 1.271E+05 9.437E+03 e 0 56 47 #VC 1.00000 #SUP 3.87 27 0.774 8.204 1 U 1.082E+06 1.002E+04 e 0 53 47 #VC 1.00000 #SUP 9.02 28 0.627 8.205 1 U 7.272E+04 9.117E+03 e 0 40 47 #VC 1.00000 #SUP 5.98 29 8.623 8.173 1 U 6.607E+04 8.632E+03 e 0 1 61 #VC 1.00000 #SUP 7.32 30 4.278 8.174 1 U 1.863E+05 8.632E+03 e 0 23 61 #VC 1.00000 #SUP 10.00 31 3.966 8.173 1 U 3.399E+06 8.632E+03 e 0 67 61 #VC 1.00000 #SUP 5.08 32 2.958 8.174 1 U 9.353E+05 8.632E+03 e 0 32 61 #VC 1.00000 #SUP 8.59 33 2.382 8.175 1 U 8.762E+04 8.632E+03 e 0 3 61 #VC 1.00000 #SUP 7.57 34 2.151 8.174 1 U 1.178E+05 8.632E+03 e 0 4 61 #VC 1.00000 #SUP 9.16 35 1.832 8.174 1 U 1.639E+05 8.632E+03 e 0 7 61 #VC 1.00000 #SUP 4.81 36 7.719 8.173 1 U 1.064E+06 8.756E+03 e 0 5 61 #VC 1.00000 #SUP 7.50 37 7.547 8.173 1 U 1.440E+06 8.632E+03 e 0 35 61 #VC 1.00000 #SUP 8.55 38 4.193 8.172 1 U 7.066E+05 8.632E+03 e 0 2 61 #VC 1.00000 #SUP 6.44 39 3.256 8.172 1 U 1.011E+05 8.919E+03 e 0 24 61 #VC 1.00000 #SUP 8.24 40 3.148 8.172 1 U 4.924E+04 8.632E+03 e 0 25 61 #VC 1.00000 #SUP 10.00 41 2.719 8.173 1 U 5.684E+05 8.678E+03 e 0 30 61 #VC 1.00000 #SUP 6.16 42 4.031 8.026 1 U 5.763E+05 8.632E+03 e 0 68 69 #VC 1.00000 #SUP 7.81 43 3.812 8.026 1 U 3.058E+06 8.632E+03 e 0 70 69 #VC 1.00000 #SUP 4.73 44 3.758 8.026 1 U 3.143E+06 8.632E+03 e 0 71 69 #VC 1.00000 #SUP 4.62 45 1.832 8.025 1 U 5.344E+04 8.632E+03 e 0 7 69 #VC 1.00000 #SUP 4.77 46 1.584 8.026 1 U 9.318E+05 8.632E+03 e 0 51 69 #VC 1.00000 #SUP 7.36 47 1.407 8.026 1 U 7.015E+05 8.632E+03 e 0 50 69 #VC 1.00000 #SUP 7.30 48 1.928 8.019 1 U 1.538E+05 8.632E+03 e 0 16 69 #VC 1.00000 #SUP 3.91 49 7.578 8.003 1 U 2.104E+06 8.634E+03 e 0 36 43 #VC 1.00000 #SUP 10.00 50 4.256 8.002 1 U 1.236E+06 8.632E+03 e 0 44 43 #VC 1.00000 #SUP 8.01 51 4.166 8.007 1 U 1.305E+05 8.908E+03 e 0 14 43 #VC 1.00000 #SUP 4.06 52 3.947 8.003 1 U 6.644E+05 8.939E+03 e 0 37 43 #VC 1.00000 #SUP 9.51 53 1.819 8.006 1 U 5.120E+04 8.632E+03 e 0 7 69 #VC 1.00000 #SUP 4.77 54 1.684 8.003 1 U 2.618E+06 8.632E+03 e 0 55 43 #VC 1.00000 #SUP 7.31 55 1.539 8.003 1 U 2.919E+05 8.632E+03 e 0 46 43 #VC 1.00000 #SUP 7.25 56 1.285 8.003 1 U 5.700E+05 8.794E+03 e 0 42 43 #VC 1.00000 #SUP 9.10 57 0.998 8.003 1 U 3.539E+05 8.632E+03 e 0 41 43 #VC 1.00000 #SUP 9.92 58 0.851 8.002 1 U 9.452E+05 8.845E+03 e 0 56 43 #VC 1.00000 #SUP 8.58 59 0.761 8.003 1 U 8.605E+05 9.194E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 60 0.622 8.003 1 U 2.115E+05 8.632E+03 e 0 40 43 #VC 1.00000 #SUP 9.46 61 7.998 7.917 1 U 3.747E+05 8.632E+03 e 0 69 26 #VC 1.00000 #SUP 10.00 62 7.720 7.916 1 U 1.070E+06 8.632E+03 e 0 5 26 #VC 1.00000 #SUP 10.00 63 7.568 7.919 1 U 1.006E+05 8.632E+03 e 0 13 26 #VC 1.00000 #SUP 8.11 64 4.273 7.916 1 U 1.311E+06 8.632E+03 e 0 27 26 #VC 1.00000 #SUP 7.19 65 4.175 7.917 1 U 3.946E+05 8.632E+03 e 0 31 26 #VC 1.00000 #SUP 4.23 66 4.034 7.917 1 U 6.952E+05 8.632E+03 e 0 6 26 #VC 1.00000 #SUP 6.43 67 3.963 7.917 1 U 9.904E+04 8.632E+03 e 0 67 26 #VC 1.00000 #SUP 6.03 68 3.756 7.918 1 U 1.342E+05 8.632E+03 e 0 48 26 #VC 1.00000 #SUP 7.91 69 3.252 7.917 1 U 5.049E+04 8.632E+03 e 0 20 26 #VC 1.00000 #SUP 3.40 70 3.145 7.913 1 U 7.549E+04 8.632E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 71 3.014 7.916 1 U 1.910E+06 8.632E+03 e 0 28 26 #VC 1.00000 #SUP 8.81 72 2.951 7.916 1 U 2.157E+06 8.632E+03 e 0 29 26 #VC 1.00000 #SUP 9.86 73 1.826 7.917 1 U 1.250E+06 8.632E+03 e 0 7 26 #VC 1.00000 #SUP 10.00 74 1.587 7.917 1 U 2.539E+05 8.632E+03 e 0 51 26 #VC 1.00000 #SUP 8.05 75 1.358 7.916 1 U 1.673E+05 8.632E+03 e 0 10 26 #VC 1.00000 #SUP 7.23 76 1.297 7.916 1 U 9.879E+04 8.632E+03 e 0 11 26 #VC 1.00000 #SUP 7.05 77 0.774 7.915 1 U 1.300E+05 8.968E+03 e 0 53 26 #VC 1.00000 #SUP 9.26 78 8.619 7.815 1 U 3.351E+05 8.632E+03 e 0 1 57 #VC 1.00000 #SUP 4.75 79 4.409 7.814 1 U 8.170E+05 8.632E+03 e 0 34 57 #VC 1.00000 #SUP 2.24 80 3.928 7.815 1 U 6.062E+05 8.632E+03 e 0 58 57 #VC 1.00000 #SUP 5.28 81 3.255 7.814 1 U 5.928E+05 8.632E+03 e 0 33 57 #VC 1.00000 #SUP 3.92 82 1.945 7.814 1 U 6.296E+05 8.632E+03 e 0 59 57 #VC 1.00000 #SUP 3.87 83 0.777 7.815 1 U 1.507E+06 8.632E+03 e 0 60 57 #VC 1.00000 #SUP 5.39 84 0.775 7.722 1 U 5.361E+04 8.632E+03 e 0 53 5 #VC 1.00000 #SUP 4.22 85 8.174 7.720 1 U 1.104E+06 8.632E+03 e 0 61 5 #VC 1.00000 #SUP 7.50 86 7.914 7.722 1 U 1.136E+06 8.632E+03 e 0 26 5 #VC 1.00000 #SUP 10.00 87 7.574 7.716 1 U 1.395E+05 8.632E+03 e 0 35 5 #VC 1.00000 #SUP 4.30 88 4.278 7.719 1 U 3.840E+05 8.632E+03 e 0 23 5 #VC 1.00000 #SUP 7.62 89 4.185 7.720 1 U 1.802E+05 8.632E+03 e 0 31 5 #VC 1.00000 #SUP 5.94 90 4.034 7.720 1 U 1.676E+06 8.632E+03 e 0 6 5 #VC 1.00000 #SUP 7.45 91 3.963 7.720 1 U 9.055E+05 8.632E+03 e 0 67 5 #VC 1.00000 #SUP 7.81 92 3.262 7.717 1 U 2.412E+04 8.632E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 93 2.953 7.720 1 U 8.360E+04 8.632E+03 e 0 32 5 #VC 1.00000 #SUP 5.19 94 2.153 7.719 1 U 4.865E+04 8.632E+03 e 0 4 5 #VC 1.00000 #SUP 4.18 95 1.830 7.720 1 U 2.072E+06 8.632E+03 e 0 7 5 #VC 1.00000 #SUP 10.00 96 1.591 7.719 1 U 2.217E+05 8.632E+03 e 0 9 5 #VC 1.00000 #SUP 7.43 97 1.356 7.720 1 U 7.615E+05 8.632E+03 e 0 10 5 #VC 1.00000 #SUP 8.18 98 8.619 7.657 1 U 8.507E+05 8.632E+03 e 0 1 22 #VC 1.00000 #SUP 9.95 99 8.174 7.657 1 U 9.375E+04 8.632E+03 e 0 61 22 #VC 1.00000 #SUP 9.56 100 7.563 7.656 1 U 9.632E+05 8.632E+03 e 0 35 22 #VC 1.00000 #SUP 9.24 101 4.281 7.657 1 U 1.070E+06 8.632E+03 e 0 23 22 #VC 1.00000 #SUP 7.18 102 4.203 7.656 1 U 8.609E+05 8.632E+03 e 0 2 22 #VC 1.00000 #SUP 5.89 103 3.931 7.657 1 U 2.056E+05 8.632E+03 e 0 58 22 #VC 1.00000 #SUP 9.11 104 3.257 7.656 1 U 1.194E+06 8.632E+03 e 0 24 22 #VC 1.00000 #SUP 7.86 105 3.147 7.657 1 U 1.166E+06 8.632E+03 e 0 25 22 #VC 1.00000 #SUP 6.96 106 2.958 7.656 1 U 4.460E+04 8.632E+03 e 0 32 22 #VC 1.00000 #SUP 5.28 107 2.717 7.654 1 U 7.107E+04 8.632E+03 e 0 30 22 #VC 1.00000 #SUP 5.29 108 2.382 7.657 1 U 3.633E+05 8.632E+03 e 0 3 22 #VC 1.00000 #SUP 8.72 109 2.147 7.657 1 U 7.501E+05 8.632E+03 e 0 4 22 #VC 1.00000 #SUP 8.72 110 1.946 7.656 1 U 1.773E+05 8.632E+03 e 0 59 22 #VC 1.00000 #SUP 6.31 111 0.774 7.657 1 U 6.466E+05 8.632E+03 e 0 60 22 #VC 1.00000 #SUP 10.00 112 8.010 7.580 1 U 2.559E+06 8.632E+03 e 0 43 36 #VC 1.00000 #SUP 10.00 113 7.658 7.578 1 U 4.895E+05 8.632E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 114 4.031 7.578 1 U 1.018E+05 8.632E+03 e 0 68 13 #VC 1.00000 #SUP 3.55 115 3.946 7.580 1 U 1.353E+06 8.632E+03 e 0 37 36 #VC 1.00000 #SUP 9.04 116 3.758 7.578 1 U 1.416E+06 8.632E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 117 1.930 7.578 1 U 3.439E+06 8.632E+03 e 0 16 13 #VC 1.00000 #SUP 5.92 118 1.737 7.581 1 U 1.974E+06 8.632E+03 e 0 38 36 #VC 1.00000 #SUP 7.59 119 1.673 7.578 1 U 9.966E+05 8.632E+03 e 0 18 13 #VC 1.00000 #SUP 6.77 120 1.592 7.578 1 U 1.475E+05 8.632E+03 e 0 19 13 #VC 1.00000 #SUP 6.07 121 1.408 7.580 1 U 1.206E+05 8.632E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 122 1.285 7.581 1 U 1.205E+06 8.632E+03 e 0 42 36 #VC 1.00000 #SUP 8.52 123 0.999 7.581 1 U 1.433E+06 8.632E+03 e 0 41 36 #VC 1.00000 #SUP 10.00 124 0.848 7.578 1 U 1.893E+05 8.632E+03 e 0 56 36 #VC 1.00000 #SUP 7.50 125 0.760 7.580 1 U 1.066E+06 8.740E+03 e 0 39 36 #VC 1.00000 #SUP 8.70 126 0.623 7.581 1 U 4.986E+05 8.632E+03 e 0 40 36 #VC 1.00000 #SUP 9.06 127 4.270 7.578 1 U 3.236E+05 8.790E+03 e 0 27 13 #VC 1.00000 #SUP 5.57 128 4.160 7.578 1 U 2.084E+06 8.842E+03 e 0 14 13 #VC 1.00000 #SUP 5.18 129 4.278 7.551 1 U 5.077E+05 8.632E+03 e 0 23 35 #VC 1.00000 #SUP 8.05 130 2.384 7.551 1 U 7.511E+04 8.632E+03 e 0 3 35 #VC 1.00000 #SUP 7.34 131 8.617 7.550 1 U 1.091E+05 8.632E+03 e 0 1 35 #VC 1.00000 #SUP 7.94 132 8.172 7.550 1 U 1.322E+06 8.632E+03 e 0 61 35 #VC 1.00000 #SUP 8.55 133 7.655 7.550 1 U 1.052E+06 8.632E+03 e 0 22 35 #VC 1.00000 #SUP 9.24 134 3.257 7.550 1 U 4.042E+05 8.632E+03 e 0 24 35 #VC 1.00000 #SUP 8.58 135 3.147 7.550 1 U 4.907E+05 8.632E+03 e 0 25 35 #VC 1.00000 #SUP 8.37 136 2.958 7.550 1 U 1.087E+06 8.632E+03 e 0 32 35 #VC 1.00000 #SUP 6.14 137 2.716 7.549 1 U 1.212E+06 8.632E+03 e 0 30 35 #VC 1.00000 #SUP 5.85 138 2.147 7.550 1 U 9.033E+04 8.632E+03 e 0 4 35 #VC 1.00000 #SUP 7.76 139 0.772 7.551 1 U 6.948E+05 8.979E+03 e 0 60 35 #VC 1.00000 #SUP 7.78 140 7.825 4.408 1 U 8.367E+04 1.658E+04 e 0 57 34 #VC 1.00000 #SUP 2.24 141 3.255 4.406 1 U 5.244E+05 1.569E+04 e 0 33 34 #VC 1.00000 #SUP 1.61 142 7.657 4.281 1 U 2.072E+05 1.151E+04 e 0 22 23 #VC 1.00000 #SUP 7.18 143 7.561 4.276 1 U 1.387E+05 1.130E+04 e 0 35 23 #VC 1.00000 #SUP 8.05 144 3.256 4.278 1 U 4.720E+05 1.176E+04 e 0 24 23 #VC 1.00000 #SUP 6.23 145 3.146 4.278 1 U 4.947E+05 1.148E+04 e 0 25 23 #VC 1.00000 #SUP 5.24 146 1.829 4.280 1 U 1.437E+05 1.145E+04 e 0 7 23 #VC 1.00000 #SUP 5.62 147 8.199 4.273 1 U 9.606E+04 1.206E+04 e 0 47 27 #VC 1.00000 #SUP 6.16 148 7.914 4.273 1 U 2.072E+05 1.219E+04 e 0 26 27 #VC 1.00000 #SUP 7.19 149 3.016 4.274 1 U 3.252E+05 1.222E+04 e 0 28 27 #VC 1.00000 #SUP 5.21 150 2.951 4.274 1 U 4.349E+05 1.234E+04 e 0 29 27 #VC 1.00000 #SUP 5.64 151 1.927 4.273 1 U 1.098E+05 1.209E+04 e 0 16 27 #VC 1.00000 #SUP 5.61 152 0.762 4.267 1 U 9.946E+04 1.203E+04 e 0 0 0 #VC 1.00000 #SUP 1.00 153 8.002 4.257 1 U 1.850E+05 1.105E+04 e 0 43 44 #VC 1.00000 #SUP 8.01 154 1.692 4.258 1 U 3.030E+05 1.107E+04 e 0 54 44 #VC 1.00000 #SUP 4.79 155 1.539 4.257 1 U 3.313E+05 1.102E+04 e 0 46 44 #VC 1.00000 #SUP 4.95 156 0.843 4.256 1 U 7.106E+05 1.135E+04 e 0 56 44 #VC 1.00000 #SUP 6.16 157 8.619 4.205 1 U 3.440E+05 1.158E+04 e 0 1 2 #VC 1.00000 #SUP 6.17 158 8.174 4.201 1 U 1.035E+05 1.144E+04 e 0 61 2 #VC 1.00000 #SUP 6.44 159 7.656 4.205 1 U 1.663E+05 1.118E+04 e 0 22 2 #VC 1.00000 #SUP 5.89 160 2.384 4.204 1 U 3.443E+05 1.169E+04 e 0 3 2 #VC 1.00000 #SUP 5.05 161 2.152 4.203 1 U 6.436E+05 1.143E+04 e 0 4 2 #VC 1.00000 #SUP 4.98 162 0.774 4.203 1 U 8.206E+04 1.184E+04 e 0 60 2 #VC 1.00000 #SUP 5.61 163 7.909 4.181 1 U 6.517E+04 1.090E+04 e 0 26 31 #VC 1.00000 #SUP 4.23 164 2.960 4.176 1 U 1.307E+05 1.099E+04 e 0 32 31 #VC 1.00000 #SUP 4.63 165 2.719 4.176 1 U 1.621E+05 1.080E+04 e 0 30 31 #VC 1.00000 #SUP 3.96 166 7.710 4.170 1 U 2.925E+04 1.171E+04 e 0 5 31 #VC 1.00000 #SUP 5.94 167 7.572 4.161 1 U 5.521E+05 1.123E+04 e 0 13 14 #VC 1.00000 #SUP 5.18 168 3.228 4.162 1 U 1.764E+05 1.120E+04 e 0 20 14 #VC 1.00000 #SUP 4.82 169 3.144 4.160 1 U 8.014E+04 1.120E+04 e 0 25 31 #VC 1.00000 #SUP 4.65 170 1.673 4.160 1 U 1.892E+05 1.113E+04 e 0 18 14 #VC 1.00000 #SUP 7.58 171 1.590 4.160 1 U 1.969E+05 1.132E+04 e 0 19 14 #VC 1.00000 #SUP 6.81 172 1.926 4.159 1 U 6.742E+05 1.020E+04 e 0 16 14 #VC 1.00000 #SUP 6.90 173 8.024 4.038 1 U 1.112E+05 9.975E+03 e 0 69 68 #VC 1.00000 #SUP 7.81 174 7.912 4.038 1 U 1.587E+05 9.894E+03 e 0 26 6 #VC 1.00000 #SUP 6.43 175 7.717 4.039 1 U 5.068E+05 1.012E+04 e 0 5 6 #VC 1.00000 #SUP 7.45 176 3.799 4.040 1 U 4.771E+04 1.002E+04 e 0 70 68 #VC 1.00000 #SUP 5.72 177 3.746 4.039 1 U 3.905E+04 1.005E+04 e 0 71 68 #VC 1.00000 #SUP 5.68 178 1.818 4.038 1 U 9.670E+05 9.786E+03 e 0 7 6 #VC 1.00000 #SUP 7.49 179 1.357 4.039 1 U 2.513E+05 9.915E+03 e 0 10 6 #VC 1.00000 #SUP 5.81 180 1.295 4.039 1 U 3.487E+05 1.004E+04 e 0 11 6 #VC 1.00000 #SUP 5.84 181 8.176 4.012 1 U 6.374E+05 1.093E+04 e 0 61 68 #VC 1.00000 #SUP 4.44 182 1.583 4.013 1 U 3.526E+05 1.075E+04 e 0 51 68 #VC 1.00000 #SUP 7.66 183 1.406 4.012 1 U 1.989E+05 1.027E+04 e 0 50 68 #VC 1.00000 #SUP 4.37 184 0.775 4.012 1 U 3.564E+05 1.134E+04 e 0 53 68 #VC 1.00000 #SUP 6.37 185 8.173 3.964 1 U 1.327E+06 1.262E+04 e 0 61 67 #VC 1.00000 #SUP 5.08 186 7.718 3.964 1 U 4.063E+05 1.251E+04 e 0 5 67 #VC 1.00000 #SUP 7.81 187 4.203 3.964 1 U 2.383E+05 1.222E+04 e 0 2 67 #VC 1.00000 #SUP 2.76 188 3.826 3.964 1 U 2.573E+05 1.208E+04 e 0 70 67 #VC 1.00000 #SUP 2.47 189 3.770 3.963 1 U 1.678E+05 1.229E+04 e 0 0 0 #VC 1.00000 #SUP 1.00 190 2.155 3.965 1 U 1.079E+05 1.262E+04 e 0 4 67 #VC 1.00000 #SUP 3.44 191 1.583 3.965 1 U 8.887E+04 1.247E+04 e 0 0 0 #VC 1.00000 #SUP 1.00 192 8.004 3.948 1 U 2.704E+05 1.317E+04 e 0 43 37 #VC 1.00000 #SUP 9.51 193 7.576 3.947 1 U 6.374E+05 1.318E+04 e 0 36 37 #VC 1.00000 #SUP 9.04 194 1.734 3.946 1 U 9.238E+05 1.327E+04 e 0 38 37 #VC 1.00000 #SUP 7.31 195 1.284 3.948 1 U 2.614E+05 1.329E+04 e 0 42 37 #VC 1.00000 #SUP 8.14 196 0.998 3.947 1 U 4.157E+05 1.308E+04 e 0 41 37 #VC 1.00000 #SUP 9.82 197 0.845 3.943 1 U 9.426E+04 1.332E+04 e 0 56 37 #VC 1.00000 #SUP 7.25 198 0.622 3.948 1 U 4.032E+05 1.310E+04 e 0 40 37 #VC 1.00000 #SUP 8.76 199 7.814 3.929 1 U 3.802E+05 1.205E+04 e 0 57 58 #VC 1.00000 #SUP 5.28 200 2.965 3.930 1 U 1.377E+05 1.240E+04 e 0 32 58 #VC 1.00000 #SUP 4.66 201 2.719 3.931 1 U 7.781E+04 1.223E+04 e 0 30 58 #VC 1.00000 #SUP 4.92 202 1.945 3.929 1 U 8.295E+05 1.220E+04 e 0 59 58 #VC 1.00000 #SUP 4.16 203 0.769 3.933 1 U 1.842E+06 1.257E+04 e 0 60 58 #VC 1.00000 #SUP 6.31 204 8.619 3.927 1 U 1.330E+06 1.130E+04 e 0 1 58 #VC 1.00000 #SUP 8.49 205 7.659 3.927 1 U 7.922E+04 1.098E+04 e 0 22 58 #VC 1.00000 #SUP 9.11 206 3.254 3.926 1 U 7.100E+04 1.125E+04 e 0 33 58 #VC 1.00000 #SUP 3.74 207 2.385 3.927 1 U 8.367E+04 1.151E+04 e 0 3 58 #VC 1.00000 #SUP 6.17 208 2.146 3.926 1 U 1.553E+05 1.091E+04 e 0 4 58 #VC 1.00000 #SUP 6.60 209 0.858 3.814 1 U 4.640E+04 8.632E+03 e 0 56 70 #VC 1.00000 #SUP 4.77 210 8.202 3.810 1 U 6.998E+04 8.632E+03 e 0 47 70 #VC 1.00000 #SUP 3.28 211 8.024 3.810 1 U 1.179E+06 8.632E+03 e 0 69 70 #VC 1.00000 #SUP 4.73 212 7.575 3.808 1 U 3.530E+05 8.632E+03 e 0 13 70 #VC 1.00000 #SUP 3.98 213 3.756 3.809 1 U 3.383E+06 8.632E+03 e 0 71 70 #VC 1.00000 #SUP 2.88 214 1.695 3.803 1 U 8.427E+04 8.722E+03 e 0 55 70 #VC 1.00000 #SUP 2.92 215 2.973 3.765 1 U 4.583E+04 8.632E+03 e 0 29 48 #VC 1.00000 #SUP 7.47 216 8.202 3.761 1 U 6.055E+05 9.318E+03 e 0 47 48 #VC 1.00000 #SUP 8.66 217 8.021 3.762 1 U 1.409E+06 9.569E+03 e 0 69 71 #VC 1.00000 #SUP 4.62 218 7.576 3.762 1 U 6.118E+05 9.558E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 219 1.731 3.759 1 U 3.330E+05 9.675E+03 e 0 38 48 #VC 1.00000 #SUP 4.55 220 1.679 3.758 1 U 2.623E+05 9.445E+03 e 0 55 71 #VC 1.00000 #SUP 3.14 221 1.583 3.763 1 U 7.025E+05 9.661E+03 e 0 51 48 #VC 1.00000 #SUP 7.28 222 1.407 3.760 1 U 8.400E+05 9.128E+03 e 0 50 48 #VC 1.00000 #SUP 6.23 223 1.284 3.763 1 U 2.300E+05 9.702E+03 e 0 42 48 #VC 1.00000 #SUP 8.57 224 0.999 3.763 1 U 3.563E+05 9.409E+03 e 0 41 48 #VC 1.00000 #SUP 5.94 225 0.857 3.763 1 U 2.690E+05 9.758E+03 e 0 56 48 #VC 1.00000 #SUP 7.41 226 0.772 3.762 1 U 1.864E+06 1.032E+04 e 0 53 48 #VC 1.00000 #SUP 7.89 227 0.625 3.763 1 U 2.869E+05 9.448E+03 e 0 40 48 #VC 1.00000 #SUP 10.00 228 2.150 3.265 1 U 1.131E+05 1.261E+04 e 0 4 24 #VC 1.00000 #SUP 7.25 229 7.816 3.259 1 U 5.341E+05 8.632E+03 e 0 57 33 #VC 1.00000 #SUP 3.92 230 7.655 3.259 1 U 8.360E+05 8.744E+03 e 0 22 24 #VC 1.00000 #SUP 7.86 231 7.550 3.258 1 U 2.440E+05 8.632E+03 e 0 35 24 #VC 1.00000 #SUP 8.58 232 4.410 3.259 1 U 1.616E+06 9.034E+03 e 0 34 33 #VC 1.00000 #SUP 1.61 233 3.938 3.260 1 U 1.560E+05 9.303E+03 e 0 58 33 #VC 1.00000 #SUP 3.74 234 0.777 3.259 1 U 5.353E+05 9.569E+03 e 0 60 33 #VC 1.00000 #SUP 3.74 235 8.620 3.256 1 U 1.446E+05 8.632E+03 e 0 1 24 #VC 1.00000 #SUP 8.15 236 8.179 3.254 1 U 4.420E+04 8.632E+03 e 0 61 24 #VC 1.00000 #SUP 8.24 237 4.280 3.256 1 U 1.470E+06 8.632E+03 e 0 23 24 #VC 1.00000 #SUP 6.23 238 2.728 3.257 1 U 5.522E+04 8.632E+03 e 0 30 24 #VC 1.00000 #SUP 4.64 239 2.384 3.253 1 U 5.025E+04 8.632E+03 e 0 3 24 #VC 1.00000 #SUP 7.26 240 3.147 3.230 1 U 6.926E+06 8.632E+03 e 0 21 20 #VC 1.00000 #SUP 4.37 241 1.592 3.230 1 U 5.940E+05 8.725E+03 e 0 19 20 #VC 1.00000 #SUP 5.64 242 4.161 3.228 1 U 3.840E+05 8.720E+03 e 0 14 20 #VC 1.00000 #SUP 4.82 243 1.927 3.228 1 U 4.161E+05 8.632E+03 e 0 16 20 #VC 1.00000 #SUP 5.55 244 1.673 3.228 1 U 5.813E+05 8.632E+03 e 0 18 20 #VC 1.00000 #SUP 6.25 245 3.953 3.156 1 U 4.767E+04 8.632E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 246 8.610 3.148 1 U 6.511E+04 8.735E+03 e 0 1 25 #VC 1.00000 #SUP 7.02 247 7.655 3.149 1 U 8.885E+05 8.632E+03 e 0 22 25 #VC 1.00000 #SUP 6.96 248 7.553 3.149 1 U 3.554E+05 8.632E+03 e 0 35 25 #VC 1.00000 #SUP 8.37 249 4.279 3.148 1 U 1.620E+06 8.632E+03 e 0 23 25 #VC 1.00000 #SUP 5.24 250 3.236 3.149 1 U 8.670E+06 8.812E+03 e 0 20 21 #VC 1.00000 #SUP 4.37 251 1.672 3.148 1 U 5.830E+05 8.632E+03 e 0 18 21 #VC 1.00000 #SUP 6.72 252 1.592 3.151 1 U 6.573E+05 8.632E+03 e 0 19 21 #VC 1.00000 #SUP 5.98 253 0.770 3.148 1 U 1.930E+05 9.184E+03 e 0 60 25 #VC 1.00000 #SUP 5.87 254 7.909 3.141 1 U 3.519E+04 8.632E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 255 4.411 3.146 1 U 7.581E+04 8.692E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 256 4.163 3.148 1 U 2.915E+05 8.672E+03 e 0 31 25 #VC 1.00000 #SUP 4.65 257 1.929 3.148 1 U 4.218E+05 8.632E+03 e 0 16 21 #VC 1.00000 #SUP 5.95 258 3.762 3.026 1 U 8.096E+04 8.632E+03 e 0 48 28 #VC 1.00000 #SUP 6.55 259 8.200 3.016 1 U 6.964E+05 8.632E+03 e 0 47 28 #VC 1.00000 #SUP 8.18 260 7.914 3.015 1 U 1.292E+06 8.632E+03 e 0 26 28 #VC 1.00000 #SUP 8.81 261 7.719 3.019 1 U 8.935E+04 8.632E+03 e 0 5 28 #VC 1.00000 #SUP 6.06 262 4.272 3.015 1 U 1.004E+06 8.632E+03 e 0 27 28 #VC 1.00000 #SUP 5.21 263 4.174 3.014 1 U 4.164E+05 8.632E+03 e 0 31 28 #VC 1.00000 #SUP 2.25 264 2.953 3.015 1 U 3.630E+06 8.632E+03 e 0 29 28 #VC 1.00000 #SUP 7.20 265 1.824 3.018 1 U 5.900E+04 8.632E+03 e 0 7 28 #VC 1.00000 #SUP 6.74 266 0.774 3.016 1 U 1.130E+05 8.632E+03 e 0 53 28 #VC 1.00000 #SUP 7.34 267 8.008 3.001 1 U 4.494E+04 8.632E+03 e 0 69 28 #VC 1.00000 #SUP 6.37 268 2.722 2.965 1 U 2.804E+06 8.632E+03 e 0 30 32 #VC 1.00000 #SUP 4.86 269 7.643 2.960 1 U 4.505E+04 8.632E+03 e 0 22 32 #VC 1.00000 #SUP 5.28 270 7.548 2.962 1 U 7.473E+05 8.632E+03 e 0 35 32 #VC 1.00000 #SUP 6.14 271 4.175 2.960 1 U 8.748E+05 8.632E+03 e 0 31 32 #VC 1.00000 #SUP 4.63 272 3.936 2.960 1 U 2.183E+05 8.632E+03 e 0 58 32 #VC 1.00000 #SUP 4.66 273 3.758 2.960 1 U 5.963E+04 8.632E+03 e 0 48 29 #VC 1.00000 #SUP 7.47 274 1.944 2.958 1 U 1.001E+05 8.632E+03 e 0 59 32 #VC 1.00000 #SUP 4.74 275 0.775 2.960 1 U 4.391E+05 8.632E+03 e 0 60 32 #VC 1.00000 #SUP 6.41 276 8.188 2.954 1 U 8.562E+05 8.632E+03 e 0 47 29 #VC 1.00000 #SUP 9.19 277 8.003 2.954 1 U 5.836E+04 8.632E+03 e 0 69 29 #VC 1.00000 #SUP 7.42 278 7.914 2.951 1 U 1.533E+06 8.632E+03 e 0 26 29 #VC 1.00000 #SUP 9.86 279 7.719 2.953 1 U 1.074E+05 8.632E+03 e 0 5 32 #VC 1.00000 #SUP 5.19 280 4.273 2.951 1 U 1.447E+06 8.632E+03 e 0 27 29 #VC 1.00000 #SUP 5.64 281 4.015 2.956 1 U 1.301E+05 8.632E+03 e 0 68 32 #VC 1.00000 #SUP 3.22 282 3.145 2.955 1 U 5.390E+04 8.632E+03 e 0 25 32 #VC 1.00000 #SUP 5.25 283 1.827 2.952 1 U 7.175E+04 8.632E+03 e 0 7 29 #VC 1.00000 #SUP 6.90 284 1.572 2.948 1 U 1.278E+05 8.632E+03 e 0 51 29 #VC 1.00000 #SUP 7.16 285 1.290 2.944 1 U 5.733E+04 8.632E+03 e 0 42 29 #VC 1.00000 #SUP 3.88 286 0.620 2.938 1 U 5.241E+04 8.632E+03 e 0 40 29 #VC 1.00000 #SUP 5.51 287 7.709 2.886 1 U 3.204E+04 9.448E+03 e 0 5 12 #VC 1.00000 #SUP 7.17 288 4.040 2.884 1 U 5.327E+04 9.355E+03 e 0 6 12 #VC 1.00000 #SUP 5.12 289 1.825 2.885 1 U 1.095E+05 9.140E+03 e 0 7 12 #VC 1.00000 #SUP 7.16 290 1.600 2.884 1 U 1.184E+06 9.400E+03 e 0 9 12 #VC 1.00000 #SUP 4.84 291 1.358 2.881 1 U 3.127E+05 8.925E+03 e 0 10 12 #VC 1.00000 #SUP 5.73 292 1.297 2.879 1 U 3.383E+05 9.067E+03 e 0 11 12 #VC 1.00000 #SUP 5.41 293 0.627 2.879 1 U 1.499E+05 8.862E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 294 2.965 2.725 1 U 2.553E+06 8.632E+03 e 0 32 30 #VC 1.00000 #SUP 4.86 295 8.172 2.723 1 U 3.084E+05 8.632E+03 e 0 61 30 #VC 1.00000 #SUP 6.16 296 7.547 2.722 1 U 7.183E+05 8.632E+03 e 0 35 30 #VC 1.00000 #SUP 5.85 297 4.177 2.724 1 U 5.587E+05 8.632E+03 e 0 31 30 #VC 1.00000 #SUP 3.96 298 0.775 2.721 1 U 2.517E+05 8.632E+03 e 0 60 30 #VC 1.00000 #SUP 5.94 299 3.937 2.716 1 U 1.177E+05 8.632E+03 e 0 58 30 #VC 1.00000 #SUP 4.92 300 1.951 2.706 1 U 5.402E+04 8.632E+03 e 0 59 30 #VC 1.00000 #SUP 4.27 301 8.619 2.386 1 U 9.850E+05 1.367E+04 e 0 1 3 #VC 1.00000 #SUP 8.06 302 7.657 2.387 1 U 3.386E+05 1.341E+04 e 0 22 3 #VC 1.00000 #SUP 8.72 303 7.560 2.387 1 U 5.715E+04 1.324E+04 e 0 35 3 #VC 1.00000 #SUP 7.34 304 4.206 2.385 1 U 1.432E+06 1.326E+04 e 0 2 3 #VC 1.00000 #SUP 5.05 305 3.939 2.386 1 U 2.457E+05 1.378E+04 e 0 58 3 #VC 1.00000 #SUP 6.17 306 2.146 2.386 1 U 4.273E+06 1.335E+04 e 0 4 3 #VC 1.00000 #SUP 6.93 307 1.594 2.388 1 U 6.944E+04 1.355E+04 e 0 9 3 #VC 1.00000 #SUP 1.90 308 0.777 2.385 1 U 2.518E+05 1.397E+04 e 0 60 3 #VC 1.00000 #SUP 6.64 309 4.279 2.379 1 U 1.388E+05 1.364E+04 e 0 23 3 #VC 1.00000 #SUP 5.78 310 2.894 2.380 1 U 1.009E+05 1.349E+04 e 0 12 3 #VC 1.00000 #SUP 0.99 311 8.619 2.152 1 U 1.286E+06 9.480E+03 e 0 1 4 #VC 1.00000 #SUP 8.06 312 7.656 2.157 1 U 4.011E+05 8.981E+03 e 0 22 4 #VC 1.00000 #SUP 8.72 313 4.283 2.154 1 U 6.663E+04 9.198E+03 e 0 23 4 #VC 1.00000 #SUP 5.78 314 4.205 2.155 1 U 1.754E+06 8.755E+03 e 0 2 4 #VC 1.00000 #SUP 4.98 315 3.949 2.151 1 U 1.979E+05 9.275E+03 e 0 58 4 #VC 1.00000 #SUP 6.60 316 2.382 2.153 1 U 2.658E+06 9.131E+03 e 0 3 4 #VC 1.00000 #SUP 6.93 317 8.174 2.147 1 U 5.838E+04 9.189E+03 e 0 61 4 #VC 1.00000 #SUP 9.16 318 0.777 2.144 1 U 6.482E+04 9.673E+03 e 0 60 4 #VC 1.00000 #SUP 6.97 319 8.619 1.948 1 U 5.277E+05 3.567E+04 e 0 1 59 #VC 1.00000 #SUP 5.45 320 8.018 1.948 1 U 1.111E+05 3.555E+04 e 0 69 16 #VC 1.00000 #SUP 3.91 321 7.817 1.949 1 U 6.377E+05 3.550E+04 e 0 57 59 #VC 1.00000 #SUP 3.87 322 3.928 1.948 1 U 1.382E+06 3.561E+04 e 0 58 59 #VC 1.00000 #SUP 4.16 323 1.673 1.949 1 U 7.687E+05 3.554E+04 e 0 18 16 #VC 1.00000 #SUP 8.72 324 0.861 1.948 1 U 1.685E+05 3.560E+04 e 0 56 16 #VC 1.00000 #SUP 4.31 325 0.776 1.948 1 U 3.886E+06 3.575E+04 e 0 60 59 #VC 1.00000 #SUP 4.18 326 7.576 1.943 1 U 1.746E+06 2.463E+04 e 0 13 16 #VC 1.00000 #SUP 5.92 327 4.272 1.944 1 U 3.742E+05 2.471E+04 e 0 27 16 #VC 1.00000 #SUP 5.61 328 4.161 1.939 1 U 1.384E+06 2.473E+04 e 0 14 16 #VC 1.00000 #SUP 6.90 329 3.147 1.944 1 U 4.841E+05 2.462E+04 e 0 21 16 #VC 1.00000 #SUP 5.95 330 1.287 1.940 1 U 1.271E+05 2.469E+04 e 0 42 16 #VC 1.00000 #SUP 7.84 331 4.011 1.936 1 U 1.295E+05 2.522E+04 e 0 68 59 #VC 1.00000 #SUP 1.78 332 7.918 1.918 1 U 2.614E+04 1.602E+04 e 0 26 16 #VC 1.00000 #SUP 6.52 333 1.593 1.921 1 U 1.001E+06 1.617E+04 e 0 19 16 #VC 1.00000 #SUP 7.71 334 3.149 1.839 1 U 9.795E+04 8.632E+03 e 0 25 7 #VC 1.00000 #SUP 3.74 335 3.014 1.838 1 U 1.061E+05 8.632E+03 e 0 28 7 #VC 1.00000 #SUP 6.74 336 8.181 1.830 1 U 8.921E+04 1.003E+04 e 0 61 7 #VC 1.00000 #SUP 4.81 337 7.718 1.834 1 U 1.115E+06 9.883E+03 e 0 5 7 #VC 1.00000 #SUP 10.00 338 4.278 1.834 1 U 4.891E+05 9.926E+03 e 0 23 7 #VC 1.00000 #SUP 5.62 339 3.956 1.833 1 U 7.612E+04 9.829E+03 e 0 67 7 #VC 1.00000 #SUP 6.15 340 1.357 1.829 1 U 8.268E+05 9.677E+03 e 0 10 7 #VC 1.00000 #SUP 8.30 341 7.915 1.826 1 U 5.710E+05 8.632E+03 e 0 26 7 #VC 1.00000 #SUP 10.00 342 2.952 1.825 1 U 1.142E+05 8.700E+03 e 0 29 7 #VC 1.00000 #SUP 6.90 343 2.880 1.821 1 U 1.961E+05 8.649E+03 e 0 12 7 #VC 1.00000 #SUP 7.16 344 1.597 1.823 1 U 5.950E+05 8.781E+03 e 0 9 7 #VC 1.00000 #SUP 7.38 345 8.008 1.816 1 U 3.747E+04 8.761E+03 e 0 69 7 #VC 1.00000 #SUP 4.77 346 4.037 1.821 1 U 1.609E+06 8.765E+03 e 0 6 7 #VC 1.00000 #SUP 7.49 347 1.299 1.821 1 U 5.410E+05 8.867E+03 e 0 11 7 #VC 1.00000 #SUP 7.80 348 1.001 1.741 1 U 5.508E+05 8.632E+03 e 0 41 38 #VC 1.00000 #SUP 7.74 349 7.578 1.738 1 U 1.345E+06 8.632E+03 e 0 36 38 #VC 1.00000 #SUP 7.59 350 3.947 1.738 1 U 1.433E+06 8.783E+03 e 0 37 38 #VC 1.00000 #SUP 7.31 351 3.758 1.738 1 U 5.110E+05 8.632E+03 e 0 48 38 #VC 1.00000 #SUP 4.55 352 1.285 1.739 1 U 8.608E+05 8.636E+03 e 0 42 38 #VC 1.00000 #SUP 6.72 353 0.759 1.737 1 U 2.025E+06 9.043E+03 e 0 39 38 #VC 1.00000 #SUP 6.81 354 0.623 1.739 1 U 1.020E+06 8.632E+03 e 0 40 38 #VC 1.00000 #SUP 7.27 355 8.001 1.724 1 U 1.145E+06 8.632E+03 e 0 43 38 #VC 1.00000 #SUP 8.52 356 8.002 1.701 1 U 1.329E+06 8.632E+03 e 0 43 55 #VC 1.00000 #SUP 7.31 357 4.255 1.701 1 U 9.699E+05 8.632E+03 e 0 44 54 #VC 1.00000 #SUP 4.79 358 1.537 1.702 1 U 4.409E+06 8.632E+03 e 0 46 54 #VC 1.00000 #SUP 4.32 359 8.002 1.680 1 U 1.445E+06 9.353E+03 e 0 43 55 #VC 1.00000 #SUP 7.31 360 7.923 1.682 1 U 7.097E+04 9.632E+03 e 0 26 18 #VC 1.00000 #SUP 6.26 361 4.256 1.682 1 U 9.213E+05 9.348E+03 e 0 44 54 #VC 1.00000 #SUP 4.79 362 3.951 1.680 1 U 1.709E+05 9.790E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 363 0.853 1.680 1 U 3.277E+06 9.714E+03 e 0 56 55 #VC 1.00000 #SUP 5.96 364 7.576 1.673 1 U 5.970E+05 8.632E+03 e 0 13 18 #VC 1.00000 #SUP 6.77 365 4.161 1.672 1 U 5.217E+05 8.746E+03 e 0 14 18 #VC 1.00000 #SUP 7.58 366 0.995 1.673 1 U 1.461E+05 8.632E+03 e 0 41 18 #VC 1.00000 #SUP 9.10 367 3.227 1.670 1 U 6.842E+05 9.214E+03 e 0 20 18 #VC 1.00000 #SUP 6.25 368 3.145 1.669 1 U 6.754E+05 9.212E+03 e 0 21 18 #VC 1.00000 #SUP 6.72 369 1.927 1.669 1 U 1.168E+06 9.045E+03 e 0 16 18 #VC 1.00000 #SUP 8.72 370 1.287 1.670 1 U 2.801E+05 9.400E+03 e 0 42 18 #VC 1.00000 #SUP 7.95 371 0.764 1.670 1 U 3.817E+05 9.774E+03 e 0 0 0 #VC 1.00000 #SUP 1.00 372 0.623 1.671 1 U 1.790E+05 9.137E+03 e 0 40 18 #VC 1.00000 #SUP 8.89 373 3.755 1.659 1 U 2.742E+05 1.007E+04 e 0 71 55 #VC 1.00000 #SUP 3.14 374 7.716 1.602 1 U 1.112E+05 1.123E+04 e 0 5 9 #VC 1.00000 #SUP 7.43 375 2.880 1.597 1 U 9.152E+05 1.108E+04 e 0 12 9 #VC 1.00000 #SUP 4.84 376 1.827 1.597 1 U 5.738E+05 1.097E+04 e 0 7 9 #VC 1.00000 #SUP 7.38 377 1.300 1.596 1 U 8.065E+05 1.110E+04 e 0 11 9 #VC 1.00000 #SUP 4.43 378 8.201 1.591 1 U 1.188E+06 1.146E+04 e 0 47 51 #VC 1.00000 #SUP 8.13 379 8.022 1.593 1 U 5.453E+05 1.166E+04 e 0 69 51 #VC 1.00000 #SUP 7.36 380 7.914 1.593 1 U 1.226E+05 1.160E+04 e 0 26 51 #VC 1.00000 #SUP 8.05 381 7.576 1.591 1 U 4.742E+05 1.165E+04 e 0 13 19 #VC 1.00000 #SUP 6.07 382 4.161 1.594 1 U 4.932E+05 1.185E+04 e 0 14 19 #VC 1.00000 #SUP 6.81 383 4.018 1.592 1 U 5.049E+05 1.155E+04 e 0 68 51 #VC 1.00000 #SUP 7.66 384 3.227 1.592 1 U 6.468E+05 1.163E+04 e 0 20 19 #VC 1.00000 #SUP 5.64 385 3.145 1.593 1 U 7.310E+05 1.162E+04 e 0 21 19 #VC 1.00000 #SUP 5.98 386 1.928 1.592 1 U 1.050E+06 1.149E+04 e 0 16 19 #VC 1.00000 #SUP 7.71 387 1.406 1.593 1 U 4.010E+06 1.130E+04 e 0 50 51 #VC 1.00000 #SUP 5.03 388 0.628 1.592 1 U 6.952E+04 1.156E+04 e 0 0 0 #VC 1.00000 #SUP 1.00 389 4.272 1.584 1 U 3.335E+05 1.254E+04 e 0 0 0 #VC 1.00000 #SUP 1.00 390 3.759 1.583 1 U 1.050E+06 1.232E+04 e 0 48 51 #VC 1.00000 #SUP 7.28 391 1.002 1.587 1 U 4.066E+04 1.227E+04 e 0 41 19 #VC 1.00000 #SUP 7.53 392 0.774 1.588 1 U 1.812E+06 1.298E+04 e 0 53 51 #VC 1.00000 #SUP 7.41 393 2.950 1.571 1 U 9.113E+04 1.850E+04 e 0 29 51 #VC 1.00000 #SUP 7.16 394 8.201 1.551 1 U 9.543E+05 1.022E+04 e 0 47 52 #VC 1.00000 #SUP 7.55 395 7.918 1.547 1 U 5.798E+04 8.928E+03 e 0 26 52 #VC 1.00000 #SUP 6.32 396 2.971 1.542 1 U 4.910E+04 9.282E+03 e 0 29 52 #VC 1.00000 #SUP 5.98 397 0.774 1.544 1 U 1.694E+06 9.808E+03 e 0 53 52 #VC 1.00000 #SUP 6.61 398 8.005 1.538 1 U 7.900E+05 8.632E+03 e 0 43 46 #VC 1.00000 #SUP 7.25 399 4.256 1.538 1 U 1.425E+06 8.632E+03 e 0 44 46 #VC 1.00000 #SUP 4.95 400 3.755 1.540 1 U 6.115E+05 8.632E+03 e 0 48 52 #VC 1.00000 #SUP 6.65 401 1.694 1.538 1 U 4.409E+06 8.632E+03 e 0 54 46 #VC 1.00000 #SUP 4.32 402 0.855 1.538 1 U 2.673E+06 8.632E+03 e 0 56 46 #VC 1.00000 #SUP 5.56 403 8.201 1.407 1 U 6.838E+05 8.632E+03 e 0 47 50 #VC 1.00000 #SUP 7.06 404 8.022 1.407 1 U 4.196E+05 8.632E+03 e 0 69 50 #VC 1.00000 #SUP 7.30 405 7.574 1.408 1 U 5.052E+04 8.632E+03 e 0 13 50 #VC 1.00000 #SUP 3.68 406 4.012 1.407 1 U 3.436E+05 8.632E+03 e 0 68 50 #VC 1.00000 #SUP 4.37 407 3.759 1.408 1 U 1.191E+06 8.632E+03 e 0 48 50 #VC 1.00000 #SUP 6.23 408 1.586 1.408 1 U 4.487E+06 8.632E+03 e 0 51 50 #VC 1.00000 #SUP 5.03 409 0.775 1.408 1 U 1.337E+06 8.632E+03 e 0 53 50 #VC 1.00000 #SUP 6.40 410 7.916 1.357 1 U 6.088E+04 8.632E+03 e 0 26 10 #VC 1.00000 #SUP 7.23 411 7.718 1.357 1 U 4.108E+05 8.632E+03 e 0 5 10 #VC 1.00000 #SUP 8.18 412 4.037 1.357 1 U 4.662E+05 8.632E+03 e 0 6 10 #VC 1.00000 #SUP 5.81 413 2.879 1.358 1 U 3.577E+05 8.632E+03 e 0 12 10 #VC 1.00000 #SUP 5.73 414 4.276 1.354 1 U 7.797E+04 9.070E+03 e 0 23 10 #VC 1.00000 #SUP 2.92 415 3.959 1.355 1 U 5.816E+04 8.964E+03 e 0 67 10 #VC 1.00000 #SUP 5.19 416 1.827 1.351 1 U 6.779E+05 8.780E+03 e 0 7 10 #VC 1.00000 #SUP 8.30 417 2.880 1.302 1 U 3.975E+05 3.054E+04 e 0 12 11 #VC 1.00000 #SUP 5.41 418 7.999 1.291 1 U 2.907E+05 4.762E+04 e 0 43 42 #VC 1.00000 #SUP 9.10 419 7.714 1.292 1 U 3.235E+05 4.770E+04 e 0 5 11 #VC 1.00000 #SUP 7.85 420 7.578 1.291 1 U 7.154E+05 4.766E+04 e 0 36 42 #VC 1.00000 #SUP 8.52 421 4.279 1.292 1 U 1.689E+05 4.770E+04 e 0 23 11 #VC 1.00000 #SUP 3.09 422 4.038 1.293 1 U 5.197E+05 4.768E+04 e 0 6 11 #VC 1.00000 #SUP 5.84 423 3.948 1.291 1 U 3.476E+05 4.771E+04 e 0 37 42 #VC 1.00000 #SUP 8.14 424 3.762 1.293 1 U 3.554E+05 4.764E+04 e 0 48 42 #VC 1.00000 #SUP 8.57 425 1.590 1.292 1 U 9.138E+05 4.768E+04 e 0 9 11 #VC 1.00000 #SUP 4.43 426 0.997 1.288 1 U 3.284E+06 3.853E+04 e 0 41 42 #VC 1.00000 #SUP 9.17 427 0.623 1.288 1 U 8.257E+05 3.854E+04 e 0 40 42 #VC 1.00000 #SUP 8.18 428 0.624 1.008 1 U 6.311E+05 8.632E+03 e 0 40 41 #VC 1.00000 #SUP 9.43 429 1.588 1.005 1 U 5.107E+04 8.632E+03 e 0 19 41 #VC 1.00000 #SUP 7.53 430 8.003 0.999 1 U 2.188E+05 8.632E+03 e 0 43 41 #VC 1.00000 #SUP 9.92 431 7.578 1.000 1 U 8.035E+05 8.632E+03 e 0 36 41 #VC 1.00000 #SUP 10.00 432 3.946 0.998 1 U 4.967E+05 8.632E+03 e 0 37 41 #VC 1.00000 #SUP 9.82 433 3.759 1.001 1 U 4.456E+05 8.632E+03 e 0 48 41 #VC 1.00000 #SUP 5.94 434 1.928 0.999 1 U 9.510E+04 8.632E+03 e 0 16 41 #VC 1.00000 #SUP 9.10 435 1.666 0.998 1 U 1.397E+05 8.632E+03 e 0 18 41 #VC 1.00000 #SUP 9.10 436 1.284 0.999 1 U 2.503E+06 8.632E+03 e 0 42 41 #VC 1.00000 #SUP 9.17 437 4.256 0.993 1 U 5.599E+04 8.632E+03 e 0 27 41 #VC 1.00000 #SUP 4.34 438 1.935 0.868 1 U 7.175E+04 2.888E+04 e 0 16 56 #VC 1.00000 #SUP 4.31 439 3.762 0.864 1 U 3.687E+05 3.363E+04 e 0 48 56 #VC 1.00000 #SUP 7.41 440 1.681 0.864 1 U 3.410E+06 3.362E+04 e 0 55 56 #VC 1.00000 #SUP 5.96 441 1.538 0.864 1 U 2.595E+06 3.360E+04 e 0 46 56 #VC 1.00000 #SUP 5.56 442 0.997 0.864 1 U 6.865E+05 3.361E+04 e 0 41 56 #VC 1.00000 #SUP 7.69 443 1.673 0.845 1 U 3.626E+06 2.405E+04 e 0 55 56 #VC 1.00000 #SUP 5.96 444 8.001 0.842 1 U 6.003E+05 3.033E+04 e 0 43 56 #VC 1.00000 #SUP 8.58 445 7.575 0.840 1 U 1.576E+05 3.038E+04 e 0 36 56 #VC 1.00000 #SUP 7.50 446 4.255 0.842 1 U 4.536E+06 3.033E+04 e 0 44 56 #VC 1.00000 #SUP 6.16 447 3.953 0.840 1 U 1.570E+05 3.047E+04 e 0 37 56 #VC 1.00000 #SUP 7.25 448 0.762 0.842 1 U 7.565E+06 3.055E+04 e 0 53 56 #VC 1.00000 #SUP 6.88 449 8.627 0.787 1 U 6.711E+05 1.284E+05 e 0 1 60 #VC 1.00000 #SUP 8.91 450 7.815 0.786 1 U 6.501E+05 1.284E+05 e 0 57 60 #VC 1.00000 #SUP 5.39 451 2.970 0.787 1 U 1.808E+06 1.284E+05 e 0 32 60 #VC 1.00000 #SUP 6.41 452 1.947 0.786 1 U 3.686E+06 1.284E+05 e 0 59 60 #VC 1.00000 #SUP 4.18 453 8.199 0.776 1 U 4.387E+05 7.941E+04 e 0 47 53 #VC 1.00000 #SUP 9.02 454 4.016 0.777 1 U 6.614E+05 7.942E+04 e 0 68 53 #VC 1.00000 #SUP 6.37 455 3.761 0.776 1 U 2.837E+06 7.943E+04 e 0 48 53 #VC 1.00000 #SUP 7.89 456 1.407 0.777 1 U 2.424E+06 7.939E+04 e 0 50 53 #VC 1.00000 #SUP 6.40 457 0.859 0.779 1 U 1.429E+07 7.946E+04 e 0 56 53 #VC 1.00000 #SUP 6.88 458 3.141 0.772 1 U 1.701E+05 7.274E+04 e 0 25 60 #VC 1.00000 #SUP 5.87 459 1.556 0.774 1 U 2.447E+06 7.271E+04 e 0 52 53 #VC 1.00000 #SUP 6.61 460 8.005 0.766 1 U 5.636E+05 8.587E+04 e 0 0 0 #VC 1.00000 #SUP 1.00 461 7.657 0.768 1 U 3.484E+05 8.588E+04 e 0 22 60 #VC 1.00000 #SUP 10.00 462 3.937 0.763 1 U 3.753E+06 8.594E+04 e 0 37 39 #VC 1.00000 #SUP 8.44 463 1.665 0.762 1 U 9.486E+05 8.588E+04 e 0 0 0 #VC 1.00000 #SUP 1.00 464 1.009 0.763 1 U 9.409E+05 8.588E+04 e 0 41 39 #VC 1.00000 #SUP 9.04 465 0.628 0.763 1 U 4.168E+06 8.586E+04 e 0 40 39 #VC 1.00000 #SUP 8.47 466 7.575 0.761 1 U 1.192E+06 1.121E+05 e 0 36 39 #VC 1.00000 #SUP 8.70 467 4.263 0.759 1 U 5.685E+05 1.122E+05 e 0 0 0 #VC 1.00000 #SUP 1.00 468 1.736 0.760 1 U 2.422E+06 1.121E+05 e 0 38 39 #VC 1.00000 #SUP 6.81 469 1.283 0.759 1 U 8.699E+05 1.121E+05 e 0 42 39 #VC 1.00000 #SUP 7.92 470 1.590 0.627 1 U 1.165E+05 1.692E+04 e 0 0 0 #VC 1.00000 #SUP 1.00 471 8.002 0.624 1 U 1.613E+05 1.310E+04 e 0 43 40 #VC 1.00000 #SUP 9.46 472 7.578 0.622 1 U 3.621E+05 1.321E+04 e 0 36 40 #VC 1.00000 #SUP 9.06 473 4.262 0.621 1 U 1.187E+05 1.335E+04 e 0 27 40 #VC 1.00000 #SUP 6.48 474 3.946 0.623 1 U 6.701E+05 1.341E+04 e 0 37 40 #VC 1.00000 #SUP 8.76 475 3.758 0.624 1 U 4.935E+05 1.315E+04 e 0 48 40 #VC 1.00000 #SUP 10.00 476 1.737 0.624 1 U 9.360E+05 1.330E+04 e 0 38 40 #VC 1.00000 #SUP 7.27 477 1.284 0.620 1 U 1.606E+06 1.332E+04 e 0 42 40 #VC 1.00000 #SUP 8.18 478 0.996 0.621 1 U 1.512E+06 1.310E+04 e 0 41 40 #VC 1.00000 #SUP 9.43 479 0.761 0.625 1 U 2.811E+06 1.358E+04 e 0 39 40 #VC 1.00000 #SUP 8.47 480 1.530 0.617 1 U 9.429E+04 1.939E+04 e 0 46 40 #VC 1.00000 #SUP 5.39 ; 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 HN . . 9803.922 Hz . . . 4.794 . . 34283 1 2 . . H 1 HN . . 9803.922 Hz . . . 4.794 . . 34283 1 stop_ save_