data_34476 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34476 _Entry.Title ; Solution structure of antimicrobial peptide, crabrolin Plus in the presence of Lipopolysaccharide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-13 _Entry.Accession_date 2020-01-13 _Entry.Last_release_date 2020-07-13 _Entry.Original_release_date 2020-07-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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_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 F. Cantini F. . . . 34476 2 N. Bouchemal N. . . . 34476 3 P. Savarin P. . . . 34476 4 M. Sette M. . . . 34476 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ANTIMICROBIAL PROTEIN' . 34476 'Antimicrobial peptide' . 34476 lipopolysaccharide . 34476 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34476 spectral_peak_list 1 34476 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 44 34476 '1H chemical shifts' 118 34476 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-07-20 . original BMRB . 34476 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TWG 'BMRB Entry Tracking System' 34476 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34476 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32585759 _Citation.DOI 10.1002/psc.3271 _Citation.Full_citation . _Citation.Title ; Effect of positive charges in the structural interaction of crabrolin isoforms with lipopolysaccharide. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Pept. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM JPSIEI _Citation.Journal_ISSN 1075-2617 _Citation.Journal_CSD 1225 _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 e3271 _Citation.Page_last e3271 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Cantini F. . . . 34476 1 2 C. Luzi C. . . . 34476 1 3 N. Bouchemal N. . . . 34476 1 4 P. Savarin P. . . . 34476 1 5 A. Bozzi A. . . . 34476 1 6 M. Sette M. . . . 34476 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34476 _Assembly.ID 1 _Assembly.Name 'Crabrolin Plus, mutant of Crabrolin peptide' _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 unit_1 1 $entity_1 A A yes . . . . . . 34476 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34476 _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 ; FLPKILRKIVRAL ; _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 'L4K, T11R' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1571.048 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Peptides were purchased from Peptide Specialty Laboratories (GmbH, Germany), and purity was assayed by HPLC and mass spectrometry. ; _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 . 34476 1 2 . LEU . 34476 1 3 . PRO . 34476 1 4 . LYS . 34476 1 5 . ILE . 34476 1 6 . LEU . 34476 1 7 . ARG . 34476 1 8 . LYS . 34476 1 9 . ILE . 34476 1 10 . VAL . 34476 1 11 . ARG . 34476 1 12 . ALA . 34476 1 13 . LEU . 34476 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 34476 1 . LEU 2 2 34476 1 . PRO 3 3 34476 1 . LYS 4 4 34476 1 . ILE 5 5 34476 1 . LEU 6 6 34476 1 . ARG 7 7 34476 1 . LYS 8 8 34476 1 . ILE 9 9 34476 1 . VAL 10 10 34476 1 . ARG 11 11 34476 1 . ALA 12 12 34476 1 . LEU 13 13 34476 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 34476 _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 . 7445 organism . 'Vespa crabro' 'European hornet' . . Eukaryota Metazoa Vespa crabro . . . . . . . . . . . . . 34476 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 34476 _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' . . . . . . . . . . . . . . . . 34476 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34476 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.87 mM Crabrolin Plus, mutant of Crabrolin peptide, 14.6 uM Lipopolysaccharide, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Crabrolin Plus, mutant of Crabrolin peptide' 'natural abundance' 1 $assembly 1 $entity_1 . . 0.87 . . mM . . . . 34476 1 2 Lipopolysaccharide 'natural abundance' . . . . . . 14.6 . . uM . . . . 34476 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 34476 _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' 125 . mM 34476 1 pH 6.1 . pH 34476 1 pressure 760 . mmHg 34476 1 temperature 300 . K 34476 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34476 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34476 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34476 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34476 _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' . . 34476 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34476 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34476 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34476 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34476 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34476 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34476 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34476 4 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 34476 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34476 _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 . 600 . . . 34476 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 34476 _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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34476 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34476 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34476 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 34476 _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 C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34476 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34476 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 34476 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _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 NOESY' . . . 34476 1 2 '2D TOCSY' . . . 34476 1 3 '2D 1H-13C HSQC' . . . 34476 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 PHE HA H 1 4.196 0.020 . 1 . . . . A 1 PHE HA . 34476 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.133 0.020 . 1 . . . . A 1 PHE HB2 . 34476 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.133 0.020 . 1 . . . . A 1 PHE HB3 . 34476 1 4 . 1 . 1 1 1 PHE HD1 H 1 7.235 0.020 . 1 . . . . A 1 PHE HD1 . 34476 1 5 . 1 . 1 1 1 PHE HD2 H 1 7.235 0.020 . 1 . . . . A 1 PHE HD2 . 34476 1 6 . 1 . 1 1 1 PHE HE1 H 1 7.366 0.020 . 1 . . . . A 1 PHE HE1 . 34476 1 7 . 1 . 1 1 1 PHE HE2 H 1 7.366 0.020 . 1 . . . . A 1 PHE HE2 . 34476 1 8 . 1 . 1 1 1 PHE CA C 13 57.147 0.3 . 1 . . . . A 1 PHE CA . 34476 1 9 . 1 . 1 1 1 PHE CB C 13 40.114 0.3 . 1 . . . . A 1 PHE CB . 34476 1 10 . 1 . 1 2 2 LEU HA H 1 4.636 0.020 . 1 . . . . A 2 LEU HA . 34476 1 11 . 1 . 1 2 2 LEU HB2 H 1 1.526 0.020 . 1 . . . . A 2 LEU HB2 . 34476 1 12 . 1 . 1 2 2 LEU HB3 H 1 1.526 0.020 . 1 . . . . A 2 LEU HB3 . 34476 1 13 . 1 . 1 2 2 LEU HG H 1 1.589 0.020 . 1 . . . . A 2 LEU HG . 34476 1 14 . 1 . 1 2 2 LEU HD11 H 1 0.913 0.020 . 2 . . . . A 2 LEU HD11 . 34476 1 15 . 1 . 1 2 2 LEU HD12 H 1 0.913 0.020 . 2 . . . . A 2 LEU HD12 . 34476 1 16 . 1 . 1 2 2 LEU HD13 H 1 0.913 0.020 . 2 . . . . A 2 LEU HD13 . 34476 1 17 . 1 . 1 2 2 LEU HD21 H 1 0.893 0.020 . 2 . . . . A 2 LEU HD21 . 34476 1 18 . 1 . 1 2 2 LEU HD22 H 1 0.893 0.020 . 2 . . . . A 2 LEU HD22 . 34476 1 19 . 1 . 1 2 2 LEU HD23 H 1 0.893 0.020 . 2 . . . . A 2 LEU HD23 . 34476 1 20 . 1 . 1 2 2 LEU CA C 13 52.683 0.3 . 1 . . . . A 2 LEU CA . 34476 1 21 . 1 . 1 2 2 LEU CB C 13 42.364 0.3 . 1 . . . . A 2 LEU CB . 34476 1 22 . 1 . 1 3 3 PRO HA H 1 4.360 0.020 . 1 . . . . A 3 PRO HA . 34476 1 23 . 1 . 1 3 3 PRO HB2 H 1 2.312 0.020 . 2 . . . . A 3 PRO HB2 . 34476 1 24 . 1 . 1 3 3 PRO HB3 H 1 1.872 0.020 . 2 . . . . A 3 PRO HB3 . 34476 1 25 . 1 . 1 3 3 PRO HG2 H 1 2.008 0.020 . 1 . . . . A 3 PRO HG2 . 34476 1 26 . 1 . 1 3 3 PRO HG3 H 1 2.008 0.020 . 1 . . . . A 3 PRO HG3 . 34476 1 27 . 1 . 1 3 3 PRO HD2 H 1 3.737 0.020 . 2 . . . . A 3 PRO HD2 . 34476 1 28 . 1 . 1 3 3 PRO HD3 H 1 3.610 0.020 . 2 . . . . A 3 PRO HD3 . 34476 1 29 . 1 . 1 3 3 PRO CA C 13 62.938 0.3 . 1 . . . . A 3 PRO CA . 34476 1 30 . 1 . 1 3 3 PRO CB C 13 32.201 0.3 . 1 . . . . A 3 PRO CB . 34476 1 31 . 1 . 1 3 3 PRO CG C 13 27.336 0.3 . 1 . . . . A 3 PRO CG . 34476 1 32 . 1 . 1 3 3 PRO CD C 13 50.674 0.3 . 1 . . . . A 3 PRO CD . 34476 1 33 . 1 . 1 4 4 LYS H H 1 8.344 0.020 . 1 . . . . A 4 LYS H . 34476 1 34 . 1 . 1 4 4 LYS HA H 1 4.215 0.020 . 1 . . . . A 4 LYS HA . 34476 1 35 . 1 . 1 4 4 LYS HB2 H 1 1.760 0.020 . 2 . . . . A 4 LYS HB2 . 34476 1 36 . 1 . 1 4 4 LYS HB3 H 1 1.730 0.020 . 2 . . . . A 4 LYS HB3 . 34476 1 37 . 1 . 1 4 4 LYS HG2 H 1 1.452 0.020 . 2 . . . . A 4 LYS HG2 . 34476 1 38 . 1 . 1 4 4 LYS HG3 H 1 1.367 0.020 . 2 . . . . A 4 LYS HG3 . 34476 1 39 . 1 . 1 4 4 LYS HD2 H 1 1.671 0.020 . 1 . . . . A 4 LYS HD2 . 34476 1 40 . 1 . 1 4 4 LYS HD3 H 1 1.671 0.020 . 1 . . . . A 4 LYS HD3 . 34476 1 41 . 1 . 1 4 4 LYS HE2 H 1 2.966 0.020 . 1 . . . . A 4 LYS HE2 . 34476 1 42 . 1 . 1 4 4 LYS HE3 H 1 2.966 0.020 . 1 . . . . A 4 LYS HE3 . 34476 1 43 . 1 . 1 4 4 LYS CA C 13 56.616 0.3 . 1 . . . . A 4 LYS CA . 34476 1 44 . 1 . 1 4 4 LYS CB C 13 33.039 0.3 . 1 . . . . A 4 LYS CB . 34476 1 45 . 1 . 1 4 4 LYS CG C 13 24.884 0.3 . 1 . . . . A 4 LYS CG . 34476 1 46 . 1 . 1 4 4 LYS CD C 13 29.154 0.3 . 1 . . . . A 4 LYS CD . 34476 1 47 . 1 . 1 4 4 LYS CE C 13 42.150 0.3 . 1 . . . . A 4 LYS CE . 34476 1 48 . 1 . 1 5 5 ILE H H 1 8.121 0.020 . 1 . . . . A 5 ILE H . 34476 1 49 . 1 . 1 5 5 ILE HA H 1 4.124 0.020 . 1 . . . . A 5 ILE HA . 34476 1 50 . 1 . 1 5 5 ILE HB H 1 1.812 0.020 . 1 . . . . A 5 ILE HB . 34476 1 51 . 1 . 1 5 5 ILE HG12 H 1 1.441 0.020 . 2 . . . . A 5 ILE HG12 . 34476 1 52 . 1 . 1 5 5 ILE HG13 H 1 1.164 0.020 . 2 . . . . A 5 ILE HG13 . 34476 1 53 . 1 . 1 5 5 ILE HG21 H 1 0.853 0.020 . 1 . . . . A 5 ILE HG21 . 34476 1 54 . 1 . 1 5 5 ILE HG22 H 1 0.853 0.020 . 1 . . . . A 5 ILE HG22 . 34476 1 55 . 1 . 1 5 5 ILE HG23 H 1 0.853 0.020 . 1 . . . . A 5 ILE HG23 . 34476 1 56 . 1 . 1 5 5 ILE HD11 H 1 0.837 0.020 . 1 . . . . A 5 ILE HD11 . 34476 1 57 . 1 . 1 5 5 ILE HD12 H 1 0.837 0.020 . 1 . . . . A 5 ILE HD12 . 34476 1 58 . 1 . 1 5 5 ILE HD13 H 1 0.837 0.020 . 1 . . . . A 5 ILE HD13 . 34476 1 59 . 1 . 1 5 5 ILE CA C 13 60.906 0.3 . 1 . . . . A 5 ILE CA . 34476 1 60 . 1 . 1 5 5 ILE CB C 13 38.684 0.3 . 1 . . . . A 5 ILE CB . 34476 1 61 . 1 . 1 5 5 ILE CG1 C 13 27.315 0.3 . 1 . . . . A 5 ILE CG1 . 34476 1 62 . 1 . 1 5 5 ILE CG2 C 13 17.425 0.3 . 1 . . . . A 5 ILE CG2 . 34476 1 63 . 1 . 1 5 5 ILE CD1 C 13 12.624 0.3 . 1 . . . . A 5 ILE CD1 . 34476 1 64 . 1 . 1 6 6 LEU H H 1 8.319 0.020 . 1 . . . . A 6 LEU H . 34476 1 65 . 1 . 1 6 6 LEU HA H 1 4.378 0.020 . 1 . . . . A 6 LEU HA . 34476 1 66 . 1 . 1 6 6 LEU HB2 H 1 1.610 0.020 . 1 . . . . A 6 LEU HB2 . 34476 1 67 . 1 . 1 6 6 LEU HB3 H 1 1.610 0.020 . 1 . . . . A 6 LEU HB3 . 34476 1 68 . 1 . 1 6 6 LEU HG H 1 1.568 0.020 . 1 . . . . A 6 LEU HG . 34476 1 69 . 1 . 1 6 6 LEU HD11 H 1 0.909 0.020 . 2 . . . . A 6 LEU HD11 . 34476 1 70 . 1 . 1 6 6 LEU HD12 H 1 0.909 0.020 . 2 . . . . A 6 LEU HD12 . 34476 1 71 . 1 . 1 6 6 LEU HD13 H 1 0.909 0.020 . 2 . . . . A 6 LEU HD13 . 34476 1 72 . 1 . 1 6 6 LEU HD21 H 1 0.848 0.020 . 2 . . . . A 6 LEU HD21 . 34476 1 73 . 1 . 1 6 6 LEU HD22 H 1 0.848 0.020 . 2 . . . . A 6 LEU HD22 . 34476 1 74 . 1 . 1 6 6 LEU HD23 H 1 0.848 0.020 . 2 . . . . A 6 LEU HD23 . 34476 1 75 . 1 . 1 6 6 LEU CA C 13 54.908 0.3 . 1 . . . . A 6 LEU CA . 34476 1 76 . 1 . 1 6 6 LEU CB C 13 42.442 0.3 . 1 . . . . A 6 LEU CB . 34476 1 77 . 1 . 1 7 7 ARG H H 1 8.222 0.020 . 1 . . . . A 7 ARG H . 34476 1 78 . 1 . 1 7 7 ARG HA H 1 4.296 0.020 . 1 . . . . A 7 ARG HA . 34476 1 79 . 1 . 1 7 7 ARG HB2 H 1 1.789 0.020 . 2 . . . . A 7 ARG HB2 . 34476 1 80 . 1 . 1 7 7 ARG HB3 H 1 1.722 0.020 . 2 . . . . A 7 ARG HB3 . 34476 1 81 . 1 . 1 7 7 ARG HG2 H 1 1.624 0.020 . 2 . . . . A 7 ARG HG2 . 34476 1 82 . 1 . 1 7 7 ARG HG3 H 1 1.559 0.020 . 2 . . . . A 7 ARG HG3 . 34476 1 83 . 1 . 1 7 7 ARG HD2 H 1 3.171 0.020 . 1 . . . . A 7 ARG HD2 . 34476 1 84 . 1 . 1 7 7 ARG HD3 H 1 3.171 0.020 . 1 . . . . A 7 ARG HD3 . 34476 1 85 . 1 . 1 7 7 ARG CA C 13 56.287 0.3 . 1 . . . . A 7 ARG CA . 34476 1 86 . 1 . 1 7 7 ARG CB C 13 31.043 0.3 . 1 . . . . A 7 ARG CB . 34476 1 87 . 1 . 1 7 7 ARG CG C 13 27.201 0.3 . 1 . . . . A 7 ARG CG . 34476 1 88 . 1 . 1 7 7 ARG CD C 13 43.416 0.3 . 1 . . . . A 7 ARG CD . 34476 1 89 . 1 . 1 8 8 LYS H H 1 8.311 0.020 . 1 . . . . A 8 LYS H . 34476 1 90 . 1 . 1 8 8 LYS HA H 1 4.286 0.020 . 1 . . . . A 8 LYS HA . 34476 1 91 . 1 . 1 8 8 LYS HB2 H 1 1.758 0.020 . 2 . . . . A 8 LYS HB2 . 34476 1 92 . 1 . 1 8 8 LYS HB3 H 1 1.706 0.020 . 2 . . . . A 8 LYS HB3 . 34476 1 93 . 1 . 1 8 8 LYS HG2 H 1 1.402 0.020 . 2 . . . . A 8 LYS HG2 . 34476 1 94 . 1 . 1 8 8 LYS HG3 H 1 1.331 0.020 . 2 . . . . A 8 LYS HG3 . 34476 1 95 . 1 . 1 8 8 LYS HD2 H 1 1.661 0.020 . 1 . . . . A 8 LYS HD2 . 34476 1 96 . 1 . 1 8 8 LYS HD3 H 1 1.661 0.020 . 1 . . . . A 8 LYS HD3 . 34476 1 97 . 1 . 1 8 8 LYS HE2 H 1 2.967 0.020 . 1 . . . . A 8 LYS HE2 . 34476 1 98 . 1 . 1 8 8 LYS HE3 H 1 2.967 0.020 . 1 . . . . A 8 LYS HE3 . 34476 1 99 . 1 . 1 8 8 LYS CA C 13 56.114 0.3 . 1 . . . . A 8 LYS CA . 34476 1 100 . 1 . 1 8 8 LYS CB C 13 33.046 0.3 . 1 . . . . A 8 LYS CB . 34476 1 101 . 1 . 1 8 8 LYS CG C 13 24.813 0.3 . 1 . . . . A 8 LYS CG . 34476 1 102 . 1 . 1 8 8 LYS CD C 13 29.154 0.3 . 1 . . . . A 8 LYS CD . 34476 1 103 . 1 . 1 8 8 LYS CE C 13 42.167 0.3 . 1 . . . . A 8 LYS CE . 34476 1 104 . 1 . 1 9 9 ILE H H 1 8.253 0.020 . 1 . . . . A 9 ILE H . 34476 1 105 . 1 . 1 9 9 ILE HA H 1 4.141 0.020 . 1 . . . . A 9 ILE HA . 34476 1 106 . 1 . 1 9 9 ILE HB H 1 1.808 0.020 . 1 . . . . A 9 ILE HB . 34476 1 107 . 1 . 1 9 9 ILE HG12 H 1 1.456 0.020 . 2 . . . . A 9 ILE HG12 . 34476 1 108 . 1 . 1 9 9 ILE HG13 H 1 1.161 0.020 . 2 . . . . A 9 ILE HG13 . 34476 1 109 . 1 . 1 9 9 ILE HG21 H 1 0.843 0.020 . 1 . . . . A 9 ILE HG21 . 34476 1 110 . 1 . 1 9 9 ILE HG22 H 1 0.843 0.020 . 1 . . . . A 9 ILE HG22 . 34476 1 111 . 1 . 1 9 9 ILE HG23 H 1 0.843 0.020 . 1 . . . . A 9 ILE HG23 . 34476 1 112 . 1 . 1 9 9 ILE HD11 H 1 0.836 0.020 . 1 . . . . A 9 ILE HD11 . 34476 1 113 . 1 . 1 9 9 ILE HD12 H 1 0.836 0.020 . 1 . . . . A 9 ILE HD12 . 34476 1 114 . 1 . 1 9 9 ILE HD13 H 1 0.836 0.020 . 1 . . . . A 9 ILE HD13 . 34476 1 115 . 1 . 1 9 9 ILE CA C 13 60.906 0.3 . 1 . . . . A 9 ILE CA . 34476 1 116 . 1 . 1 9 9 ILE CB C 13 38.684 0.3 . 1 . . . . A 9 ILE CB . 34476 1 117 . 1 . 1 9 9 ILE CG1 C 13 27.315 0.3 . 1 . . . . A 9 ILE CG1 . 34476 1 118 . 1 . 1 9 9 ILE CG2 C 13 17.425 0.3 . 1 . . . . A 9 ILE CG2 . 34476 1 119 . 1 . 1 9 9 ILE CD1 C 13 12.624 0.3 . 1 . . . . A 9 ILE CD1 . 34476 1 120 . 1 . 1 10 10 VAL H H 1 8.307 0.020 . 1 . . . . A 10 VAL H . 34476 1 121 . 1 . 1 10 10 VAL HA H 1 4.086 0.020 . 1 . . . . A 10 VAL HA . 34476 1 122 . 1 . 1 10 10 VAL HB H 1 2.013 0.020 . 1 . . . . A 10 VAL HB . 34476 1 123 . 1 . 1 10 10 VAL HG11 H 1 0.908 0.020 . 2 . . . . A 10 VAL HG11 . 34476 1 124 . 1 . 1 10 10 VAL HG12 H 1 0.908 0.020 . 2 . . . . A 10 VAL HG12 . 34476 1 125 . 1 . 1 10 10 VAL HG13 H 1 0.908 0.020 . 2 . . . . A 10 VAL HG13 . 34476 1 126 . 1 . 1 10 10 VAL HG21 H 1 0.893 0.020 . 2 . . . . A 10 VAL HG21 . 34476 1 127 . 1 . 1 10 10 VAL HG22 H 1 0.893 0.020 . 2 . . . . A 10 VAL HG22 . 34476 1 128 . 1 . 1 10 10 VAL HG23 H 1 0.893 0.020 . 2 . . . . A 10 VAL HG23 . 34476 1 129 . 1 . 1 10 10 VAL CA C 13 62.219 0.3 . 1 . . . . A 10 VAL CA . 34476 1 130 . 1 . 1 10 10 VAL CB C 13 32.828 0.3 . 1 . . . . A 10 VAL CB . 34476 1 131 . 1 . 1 11 11 ARG H H 1 8.392 0.020 . 1 . . . . A 11 ARG H . 34476 1 132 . 1 . 1 11 11 ARG HA H 1 4.310 0.020 . 1 . . . . A 11 ARG HA . 34476 1 133 . 1 . 1 11 11 ARG HB2 H 1 1.800 0.020 . 2 . . . . A 11 ARG HB2 . 34476 1 134 . 1 . 1 11 11 ARG HB3 H 1 1.723 0.020 . 2 . . . . A 11 ARG HB3 . 34476 1 135 . 1 . 1 11 11 ARG HG2 H 1 1.622 0.020 . 2 . . . . A 11 ARG HG2 . 34476 1 136 . 1 . 1 11 11 ARG HG3 H 1 1.583 0.020 . 2 . . . . A 11 ARG HG3 . 34476 1 137 . 1 . 1 11 11 ARG HD2 H 1 3.174 0.020 . 1 . . . . A 11 ARG HD2 . 34476 1 138 . 1 . 1 11 11 ARG HD3 H 1 3.174 0.020 . 1 . . . . A 11 ARG HD3 . 34476 1 139 . 1 . 1 11 11 ARG CA C 13 55.826 0.3 . 1 . . . . A 11 ARG CA . 34476 1 140 . 1 . 1 11 11 ARG CB C 13 31.043 0.3 . 1 . . . . A 11 ARG CB . 34476 1 141 . 1 . 1 11 11 ARG CG C 13 27.122 0.3 . 1 . . . . A 11 ARG CG . 34476 1 142 . 1 . 1 11 11 ARG CD C 13 43.416 0.3 . 1 . . . . A 11 ARG CD . 34476 1 143 . 1 . 1 12 12 ALA H H 1 8.354 0.020 . 1 . . . . A 12 ALA H . 34476 1 144 . 1 . 1 12 12 ALA HA H 1 4.303 0.020 . 1 . . . . A 12 ALA HA . 34476 1 145 . 1 . 1 12 12 ALA HB1 H 1 1.363 0.020 . 1 . . . . A 12 ALA HB1 . 34476 1 146 . 1 . 1 12 12 ALA HB2 H 1 1.363 0.020 . 1 . . . . A 12 ALA HB2 . 34476 1 147 . 1 . 1 12 12 ALA HB3 H 1 1.363 0.020 . 1 . . . . A 12 ALA HB3 . 34476 1 148 . 1 . 1 12 12 ALA CA C 13 52.364 0.3 . 1 . . . . A 12 ALA CA . 34476 1 149 . 1 . 1 12 12 ALA CB C 13 19.179 0.3 . 1 . . . . A 12 ALA CB . 34476 1 150 . 1 . 1 13 13 LEU H H 1 8.241 0.020 . 1 . . . . A 13 LEU H . 34476 1 151 . 1 . 1 13 13 LEU HA H 1 4.272 0.020 . 1 . . . . A 13 LEU HA . 34476 1 152 . 1 . 1 13 13 LEU HB2 H 1 1.654 0.020 . 1 . . . . A 13 LEU HB2 . 34476 1 153 . 1 . 1 13 13 LEU HB3 H 1 1.654 0.020 . 1 . . . . A 13 LEU HB3 . 34476 1 154 . 1 . 1 13 13 LEU HG H 1 1.573 0.020 . 1 . . . . A 13 LEU HG . 34476 1 155 . 1 . 1 13 13 LEU HD11 H 1 0.917 0.020 . 2 . . . . A 13 LEU HD11 . 34476 1 156 . 1 . 1 13 13 LEU HD12 H 1 0.917 0.020 . 2 . . . . A 13 LEU HD12 . 34476 1 157 . 1 . 1 13 13 LEU HD13 H 1 0.917 0.020 . 2 . . . . A 13 LEU HD13 . 34476 1 158 . 1 . 1 13 13 LEU HD21 H 1 0.861 0.020 . 2 . . . . A 13 LEU HD21 . 34476 1 159 . 1 . 1 13 13 LEU HD22 H 1 0.861 0.020 . 2 . . . . A 13 LEU HD22 . 34476 1 160 . 1 . 1 13 13 LEU HD23 H 1 0.861 0.020 . 2 . . . . A 13 LEU HD23 . 34476 1 161 . 1 . 1 13 13 LEU CA C 13 55.055 0.3 . 1 . . . . A 13 LEU CA . 34476 1 162 . 1 . 1 13 13 LEU CB C 13 42.589 0.3 . 1 . . . . A 13 LEU CB . 34476 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 34476 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 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 text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 1H #INAME 2 1H 1 4.086 0.843 0 U 2.557e+04 0.00e+00 e 0 97 93 0 # HA V10/QG2 I9 3 0.836 4.086 0 U 6.180e+03 0.00e+00 e 0 93 97 0 # QD1 I9/HA V10 5 1.808 4.086 0 U 0.000e+00 0.00e+00 - 0 89 97 0 # HB I9/HA V10 6 4.086 1.808 0 U 1.113e+04 0.00e+00 e 0 97 89 0 # HA V10/HB I9 7 1.654 4.086 0 U 7.765e+03 0.00e+00 e 0 121 97 0 # QB L13/HA V10 8 4.086 1.654 0 U 1.923e+04 0.00e+00 e 0 97 121 0 # HA V10/QB L13 9 4.141 1.363 0 U 6.064e+04 0.00e+00 e 0 88 115 0 # HA I9/QB A12 10 1.363 4.141 0 U 5.344e+04 0.00e+00 e 0 115 88 0 # QB A12/HA I9 11 4.286 1.723 0 U 0.000e+00 0.00e+00 - 0 75 107 0 # HA K8/HB3 R11 12 1.723 4.286 0 U 3.586e+04 0.00e+00 e 0 107 75 0 # HB3 R11/HA K8 13 1.800 4.286 0 U 1.844e+04 0.00e+00 e 0 106 75 0 # HB2 R11/HA K8 14 4.286 1.800 0 U 6.970e+04 0.00e+00 e 0 75 106 0 # HA K8/HB2 R11 15 4.296 0.851 0 U 2.556e+04 0.00e+00 e 0 63 57 0 # HA R7/QD2 L6 16 0.851 4.296 0 U 1.661e+04 0.00e+00 e 0 57 63 0 # QD2 L6/HA R7 17 0.909 4.297 0 U 4.018e+04 0.00e+00 e 0 125 63 0 # QD1 L6/HA R7 18 4.296 0.912 0 U 6.000e+04 0.00e+00 e 0 63 56 0 # HA R7/QD1 L6 19 4.296 2.013 0 U 5.256e+04 0.00e+00 e 0 63 98 0 # HA R7/HB V10 20 2.013 4.296 0 U 5.131e+04 0.00e+00 e 0 98 63 0 # HB V10/HA R7 21 1.808 4.374 0 U 2.576e+04 0.00e+00 e 0 89 53 0 # HB I9/HA L6 22 4.374 1.808 0 U 1.891e+04 0.00e+00 e 0 53 89 0 # HA L6/HB I9 23 4.124 1.706 0 U 0.000e+00 0.00e+00 - 0 44 77 0 # HA I5/HB3 K8 24 1.706 4.124 0 U 5.318e+03 0.00e+00 e 0 77 44 0 # HB3 K8/HA I5 25 4.124 1.758 0 U 0.000e+00 0.00e+00 - 0 44 76 0 # HA I5/HB2 K8 26 1.758 4.124 0 U 6.930e+03 0.00e+00 e 0 76 44 0 # HB2 K8/HA I5 27 4.215 1.719 0 U 1.036e+04 0.00e+00 e 0 31 65 0 # HA K4/HB3 R7 28 1.719 4.215 0 U 1.335e+04 0.00e+00 e 0 65 31 0 # HB3 R7/HA K4 29 4.215 1.789 0 U 6.269e+03 0.00e+00 e 0 31 64 0 # HA K4/HB2 R7 30 1.789 4.215 0 U 1.300e+04 0.00e+00 e 0 64 31 0 # HB2 R7/HA K4 31 4.215 2.312 0 U 0.000e+00 0.00e+00 e 0 31 20 0 # HA K4/HB2 P3 32 2.312 4.215 0 U 0.000e+00 0.00e+00 - 0 20 31 0 # HB2 P3/HA K4 33 2.010 4.215 0 U 2.271e+03 0.00e+00 e 0 24 31 0 # QG P3/HA K4 34 4.215 2.010 0 U 5.793e+03 0.00e+00 e 0 31 24 0 # HA K4/QG P3 35 1.809 4.636 0 U 0.000e+00 0.00e+00 - 0 45 9 0 # HB I5/HA L2 36 4.636 1.809 0 U 0.000e+00 0.00e+00 - 0 9 45 0 # HA L2/HB I5 37 4.086 8.354 0 U 9.342e+03 0.00e+00 e 0 97 113 0 # HA V10/H A12 38 8.354 4.086 0 U 1.281e+04 0.00e+00 e 0 113 97 0 # H A12/HA V10 39 4.086 8.241 0 U 9.849e+03 0.00e+00 e 0 97 118 0 # HA V10/H L13 40 8.241 4.086 0 U 2.036e+04 0.00e+00 e 0 118 97 0 # H L13/HA V10 41 4.086 8.392 0 U 3.566e+04 0.00e+00 e 0 97 104 0 # HA V10/H R11 42 8.392 4.086 0 U 5.570e+04 0.00e+00 e 0 104 97 0 # H R11/HA V10 43 8.392 4.286 0 U 0.000e+00 0.00e+00 - 0 104 75 0 # H R11/HA K8 44 4.286 8.392 0 U 1.028e+04 0.00e+00 e 0 75 104 0 # HA K8/H R11 45 4.141 8.392 0 U 6.033e+03 0.00e+00 e 0 88 104 0 # HA I9/H R11 46 8.392 4.141 0 U 1.141e+04 0.00e+00 e 0 104 88 0 # H R11/HA I9 47 8.307 4.296 0 U 0.000e+00 0.00e+00 - 0 96 63 0 # H V10/HA R7 48 4.296 8.307 0 U 2.910e+04 0.00e+00 e 0 63 96 0 # HA R7/H V10 49 8.307 4.286 0 U 0.000e+00 0.00e+00 - 0 96 75 0 # H V10/HA K8 50 4.286 8.307 0 U 2.641e+04 0.00e+00 e 0 75 96 0 # HA K8/H V10 51 8.307 4.141 0 U 9.644e+04 0.00e+00 e 0 96 88 0 # H V10/HA I9 52 4.141 8.307 0 U 5.354e+04 0.00e+00 e 0 88 96 0 # HA I9/H V10 53 8.253 4.296 0 U 0.000e+00 0.00e+00 - 0 87 63 0 # H I9/HA R7 54 4.296 8.253 0 U 3.197e+04 0.00e+00 e 0 63 87 0 # HA R7/H I9 55 4.374 8.253 0 U 5.921e+03 0.00e+00 e 0 53 87 0 # HA L6/H I9 56 8.253 4.374 0 U 2.119e+04 0.00e+00 e 0 87 53 0 # H I9/HA L6 57 8.317 4.360 0 U 0.000e+00 0.00e+00 - 0 52 19 0 # H L6/HA P3 58 4.360 8.317 0 U 0.000e+00 0.00e+00 - 0 19 52 0 # HA P3/H L6 59 4.215 8.223 0 U 0.000e+00 0.00e+00 e 0 31 62 0 # HA K4/H R7 60 8.223 4.215 0 U 4.807e+03 0.00e+00 e 0 62 31 0 # H R7/HA K4 61 4.215 8.317 0 U 1.336e+04 0.00e+00 e 0 31 52 0 # HA K4/H L6 62 8.317 4.215 0 U 7.705e+03 0.00e+00 e 0 52 31 0 # H L6/HA K4 63 1.808 1.808 0 U 0.000e+00 0.00e+00 - 0 89 89 0 # HB/HB I9 64 1.808 8.253 0 U 6.740e+04 0.00e+00 e 0 89 87 0 # HB/H I9 65 1.808 0.836 0 U 0.000e+00 0.00e+00 - 0 89 92 0 # HB/QD1 I9 66 1.808 1.456 0 U 0.000e+00 0.00e+00 - 0 89 90 0 # HB/HG12 I9 67 1.808 4.141 0 U 2.978e+04 0.00e+00 e 0 89 88 0 # HB/HA I9 68 1.808 0.843 0 U 0.000e+00 0.00e+00 - 0 89 93 0 # HB/QG2 I9 69 1.808 1.161 0 U 0.000e+00 0.00e+00 - 0 89 91 0 # HB/HG13 I9 70 4.310 4.310 0 U 0.000e+00 0.00e+00 - 0 105 105 0 # HA/HA R11 71 4.310 3.174 0 U 4.120e+04 0.00e+00 e 0 105 110 0 # HA/QD R11 72 4.310 1.622 0 U 0.000e+00 0.00e+00 - 0 105 108 0 # HA/HG2 R11 73 4.310 1.800 0 U 5.794e+04 0.00e+00 e 0 105 106 0 # HA/HB2 R11 74 4.310 8.354 0 U 1.716e+04 0.00e+00 e 0 105 113 0 # HA R11/H A12 75 4.310 8.392 0 U 1.479e+04 0.00e+00 e 0 105 104 0 # HA/H R11 76 4.310 1.583 0 U 0.000e+00 0.00e+00 - 0 105 109 0 # HA/HG3 R11 77 4.310 1.723 0 U 0.000e+00 0.00e+00 - 0 105 107 0 # HA/HB3 R11 78 4.374 4.374 0 U 0.000e+00 0.00e+00 - 0 53 53 0 # HA/HA L6 79 4.374 0.912 0 U 1.856e+04 0.00e+00 e 0 53 56 0 # HA/QD1 L6 80 4.374 1.568 0 U 0.000e+00 0.00e+00 - 0 53 54 0 # HA/HG L6 81 4.374 8.317 0 U 2.848e+04 0.00e+00 e 0 53 52 0 # HA/H L6 82 4.374 0.851 0 U 6.032e+04 0.00e+00 e 0 53 57 0 # HA/QD2 L6 83 4.374 1.611 0 U 2.759e+04 0.00e+00 e 0 53 55 0 # HA/QB L6 84 4.374 8.223 0 U 5.248e+04 0.00e+00 e 0 53 62 0 # HA L6/H R7 85 1.730 1.730 0 U 0.000e+00 0.00e+00 - 0 33 33 0 # HB3/HB3 K4 86 1.730 4.215 0 U 1.316e+04 0.00e+00 e 0 33 31 0 # HB3/HA K4 87 1.730 1.671 0 U 0.000e+00 0.00e+00 - 0 33 36 0 # HB3/QD K4 88 1.730 1.452 0 U 0.000e+00 0.00e+00 - 0 33 34 0 # HB3/HG2 K4 89 1.730 1.760 0 U 0.000e+00 0.00e+00 - 0 33 32 0 # HB3/HB2 K4 90 1.730 8.120 0 U 1.072e+04 0.00e+00 e 0 33 43 0 # HB3 K4/H I5 91 1.730 8.344 0 U 0.000e+00 0.00e+00 - 0 33 30 0 # HB3/H K4 92 1.730 2.966 0 U 1.341e+04 0.00e+00 e 0 33 37 0 # HB3/QE K4 93 1.730 1.367 0 U 0.000e+00 0.00e+00 - 0 33 35 0 # HB3/HG3 K4 94 1.661 1.661 0 U 0.000e+00 0.00e+00 - 0 80 80 0 # QD/QD K8 95 1.661 1.758 0 U 0.000e+00 0.00e+00 - 0 80 76 0 # QD/HB2 K8 96 1.661 8.311 0 U 0.000e+00 0.00e+00 - 0 80 74 0 # QD/H K8 97 1.661 2.965 0 U 0.000e+00 0.00e+00 - 0 80 81 0 # QD/QE K8 98 1.661 1.706 0 U 0.000e+00 0.00e+00 - 0 80 77 0 # QD/HB3 K8 99 1.661 1.332 0 U 8.076e+04 0.00e+00 e 0 80 79 0 # QD/HG3 K8 100 1.661 4.286 0 U 2.917e+04 0.00e+00 e 0 80 75 0 # QD/HA K8 101 1.661 1.402 0 U 0.000e+00 0.00e+00 - 0 80 78 0 # QD/HG2 K8 102 8.307 8.307 0 U 0.000e+00 0.00e+00 - 0 96 96 0 # H/H V10 103 8.307 8.253 0 U 2.034e+04 0.00e+00 e 0 96 87 0 # H V10/H I9 104 8.307 0.836 0 U 1.791e+04 0.00e+00 e 0 96 92 0 # H V10/QD1 I9 106 8.307 1.456 0 U 8.623e+03 0.00e+00 e 0 96 90 0 # H V10/HG12 I9 107 8.307 4.086 0 U 0.000e+00 0.00e+00 - 0 96 97 0 # H/HA V10 108 8.307 8.354 0 U 9.355e+03 0.00e+00 e 0 96 113 0 # H V10/H A12 109 8.307 8.392 0 U 2.329e+04 0.00e+00 e 0 96 104 0 # H V10/H R11 110 8.307 0.843 0 U 2.359e+04 0.00e+00 e 0 96 93 0 # H V10/QG2 I9 112 8.307 1.161 0 U 3.961e+03 0.00e+00 e 0 96 91 0 # H V10/HG13 I9 113 8.307 2.013 0 U 7.968e+04 0.00e+00 e 0 96 98 0 # H/HB V10 114 4.124 4.124 0 U 0.000e+00 0.00e+00 - 0 44 44 0 # HA/HA I5 115 4.124 0.852 0 U 6.534e+04 0.00e+00 e 0 44 49 0 # HA/QG2 I5 116 4.124 1.160 0 U 1.802e+04 0.00e+00 e 0 44 47 0 # HA/HG13 I5 117 4.124 1.809 0 U 2.828e+04 0.00e+00 e 0 44 45 0 # HA/HB I5 118 4.124 8.317 0 U 0.000e+00 0.00e+00 - 0 44 52 0 # HA I5/H L6 119 4.124 8.120 0 U 0.000e+00 0.00e+00 e 0 44 43 0 # HA/H I5 120 4.124 0.839 0 U 4.004e+04 0.00e+00 e 0 44 48 0 # HA/QD1 I5 121 4.124 1.444 0 U 2.281e+04 0.00e+00 e 0 44 46 0 # HA/HG12 I5 122 1.758 1.661 0 U 0.000e+00 0.00e+00 - 0 76 80 0 # HB2/QD K8 123 1.758 1.758 0 U 0.000e+00 0.00e+00 - 0 76 76 0 # HB2/HB2 K8 124 1.758 8.253 0 U 7.778e+03 0.00e+00 e 0 76 87 0 # HB2 K8/H I9 125 1.758 8.311 0 U 1.426e+04 0.00e+00 e 0 76 74 0 # HB2/H K8 126 1.758 2.965 0 U 0.000e+00 0.00e+00 - 0 76 81 0 # HB2/QE K8 127 1.758 1.706 0 U 0.000e+00 0.00e+00 - 0 76 77 0 # HB2/HB3 K8 128 1.758 1.332 0 U 0.000e+00 0.00e+00 - 0 76 79 0 # HB2/HG3 K8 129 1.758 4.286 0 U 0.000e+00 0.00e+00 - 0 76 75 0 # HB2/HA K8 130 1.758 1.402 0 U 0.000e+00 0.00e+00 - 0 76 78 0 # HB2/HG2 K8 131 2.010 2.010 0 U 0.000e+00 0.00e+00 - 0 24 24 0 # QG/QG P3 132 2.010 3.738 0 U 3.425e+04 0.00e+00 e 0 24 22 0 # QG/HD2 P3 133 2.010 2.312 0 U 0.000e+00 0.00e+00 - 0 24 20 0 # QG/HB2 P3 134 2.010 3.610 0 U 0.000e+00 0.00e+00 - 0 24 23 0 # QG/HD3 P3 135 2.010 8.344 0 U 1.311e+04 0.00e+00 e 0 24 30 0 # QG P3/H K4 136 2.010 1.872 0 U 6.256e+05 0.00e+00 e 0 24 21 0 # QG/HB3 P3 137 2.010 4.360 0 U 6.058e+04 0.00e+00 e 0 24 19 0 # QG/HA P3 138 2.010 4.636 0 U 7.330e+03 0.00e+00 e 0 24 9 0 # QG P3/HA L2 139 4.192 4.192 0 U 0.000e+00 0.00e+00 - 0 3 3 0 # HA/HA F1 140 4.192 0.912 0 U 6.559e+03 0.00e+00 e 0 3 12 0 # HA F1/QD1 L2 141 4.192 1.589 0 U 5.822e+03 0.00e+00 e 0 3 10 0 # HA F1/HG L2 142 4.192 3.139 0 U 1.372e+05 0.00e+00 e 0 3 4 0 # HA/QB F1 143 4.192 7.370 0 U 1.021e+03 0.00e+00 e 0 3 6 0 # HA/QE F1 144 4.192 0.897 0 U 5.996e+03 0.00e+00 e 0 3 13 0 # HA F1/QD2 L2 145 4.192 1.526 0 U 0.000e+00 0.00e+00 - 0 3 11 0 # HA F1/QB L2 146 4.192 7.235 0 U 2.104e+04 0.00e+00 e 0 3 5 0 # HA/QD F1 147 0.861 0.861 0 U 0.000e+00 0.00e+00 - 0 123 123 0 # QD2/QD2 L13 148 0.861 1.654 0 U 7.808e+04 0.00e+00 e 0 123 121 0 # QD2/QB L13 149 0.861 4.272 0 U 6.613e+04 0.00e+00 e 0 123 119 0 # QD2/HA L13 150 0.861 0.917 0 U 6.366e+04 0.00e+00 e 0 123 122 0 # QD2/QD1 L13 151 0.861 1.573 0 U 3.859e+04 0.00e+00 e 0 123 120 0 # QD2/HG L13 152 0.861 8.241 0 U 0.000e+00 0.00e+00 - 0 123 118 0 # QD2/H L13 153 8.253 1.808 0 U 6.953e+04 0.00e+00 e 0 87 89 0 # H/HB I9 154 8.253 8.307 0 U 0.000e+00 0.00e+00 - 0 87 96 0 # H I9/H V10 155 8.253 1.758 0 U 1.282e+04 0.00e+00 e 0 87 76 0 # H I9/HB2 K8 156 8.253 8.253 0 U 0.000e+00 0.00e+00 - 0 87 87 0 # H/H I9 157 8.253 8.311 0 U 0.000e+00 0.00e+00 - 0 87 74 0 # H I9/H K8 158 8.253 0.836 0 U 0.000e+00 0.00e+00 - 0 87 92 0 # H/QD1 I9 159 8.253 1.456 0 U 6.732e+04 0.00e+00 e 0 87 90 0 # H/HG12 I9 160 8.253 2.965 0 U 3.289e+03 0.00e+00 e 0 87 81 0 # H I9/QE K8 161 8.253 1.706 0 U 3.013e+04 0.00e+00 e 0 87 77 0 # H I9/HB3 K8 162 8.253 4.141 0 U 2.324e+04 0.00e+00 e 0 87 88 0 # H/HA I9 163 8.253 1.332 0 U 2.047e+03 0.00e+00 e 0 87 79 0 # H I9/HG3 K8 164 8.253 4.286 0 U 5.890e+04 0.00e+00 e 0 87 75 0 # H I9/HA K8 165 8.253 0.843 0 U 0.000e+00 0.00e+00 - 0 87 93 0 # H/QG2 I9 166 8.253 1.161 0 U 1.390e+04 0.00e+00 e 0 87 91 0 # H/HG13 I9 167 8.253 1.402 0 U 3.490e+03 0.00e+00 e 0 87 78 0 # H I9/HG2 K8 168 1.557 1.557 0 U 0.000e+00 0.00e+00 - 0 67 67 0 # HG3/HG3 R7 169 1.557 8.311 0 U 1.962e+04 0.00e+00 e 0 67 74 0 # HG3 R7/H K8 170 1.557 1.719 0 U 0.000e+00 0.00e+00 - 0 67 65 0 # HG3/HB3 R7 171 1.557 4.296 0 U 1.766e+04 0.00e+00 e 0 67 63 0 # HG3/HA R7 172 1.557 3.169 0 U 3.766e+03 0.00e+00 e 0 67 68 0 # HG3/QD R7 173 1.557 1.618 0 U 0.000e+00 0.00e+00 - 0 67 66 0 # HG3/HG2 R7 174 1.557 1.789 0 U 0.000e+00 0.00e+00 - 0 67 64 0 # HG3/HB2 R7 175 1.557 8.223 0 U 1.822e+04 0.00e+00 e 0 67 62 0 # HG3/H R7 176 4.215 1.730 0 U 0.000e+00 0.00e+00 - 0 31 33 0 # HA/HB3 K4 177 4.215 4.215 0 U 0.000e+00 0.00e+00 - 0 31 31 0 # HA/HA K4 178 4.215 1.671 0 U 1.037e+04 0.00e+00 e 0 31 36 0 # HA/QD K4 179 4.215 1.452 0 U 2.174e+04 0.00e+00 e 0 31 34 0 # HA/HG2 K4 180 4.215 1.760 0 U 0.000e+00 0.00e+00 - 0 31 32 0 # HA/HB2 K4 181 4.215 8.120 0 U 1.095e+05 0.00e+00 e 0 31 43 0 # HA K4/H I5 182 4.215 8.344 0 U 1.655e+04 0.00e+00 e 0 31 30 0 # HA/H K4 183 4.215 2.966 0 U 0.000e+00 0.00e+00 - 0 31 37 0 # HA/QE K4 184 4.215 1.367 0 U 1.887e+04 0.00e+00 e 0 31 35 0 # HA/HG3 K4 185 3.174 4.310 0 U 0.000e+00 0.00e+00 - 0 110 105 0 # QD/HA R11 186 3.174 3.174 0 U 0.000e+00 0.00e+00 - 0 110 110 0 # QD/QD R11 187 3.174 1.622 0 U 0.000e+00 0.00e+00 - 0 110 108 0 # QD/HG2 R11 188 3.174 1.800 0 U 3.481e+04 0.00e+00 e 0 110 106 0 # QD/HB2 R11 189 3.174 8.354 0 U 4.696e+03 0.00e+00 e 0 110 113 0 # QD R11/H A12 190 3.174 8.392 0 U 0.000e+00 0.00e+00 e 0 110 104 0 # QD/H R11 191 3.174 1.583 0 U 0.000e+00 0.00e+00 - 0 110 109 0 # QD/HG3 R11 192 3.174 1.723 0 U 5.387e+04 0.00e+00 e 0 110 107 0 # QD/HB3 R11 193 8.311 1.661 0 U 0.000e+00 0.00e+00 - 0 74 80 0 # H/QD K8 194 8.311 1.758 0 U 0.000e+00 0.00e+00 - 0 74 76 0 # H/HB2 K8 195 8.311 8.253 0 U 2.946e+04 0.00e+00 e 0 74 87 0 # H K8/H I9 196 8.311 1.557 0 U 3.241e+04 0.00e+00 e 0 74 67 0 # H K8/HG3 R7 197 8.311 8.311 0 U 0.000e+00 0.00e+00 - 0 74 74 0 # H/H K8 198 8.311 1.719 0 U 0.000e+00 0.00e+00 - 0 74 65 0 # H K8/HB3 R7 199 8.311 4.296 0 U 0.000e+00 0.00e+00 - 0 74 63 0 # H K8/HA R7 200 8.311 2.965 0 U 7.111e+03 0.00e+00 e 0 74 81 0 # H/QE K8 201 8.311 1.706 0 U 0.000e+00 0.00e+00 - 0 74 77 0 # H/HB3 K8 202 8.311 3.169 0 U 8.676e+03 0.00e+00 e 0 74 68 0 # H K8/QD R7 203 8.311 1.332 0 U 5.501e+03 0.00e+00 e 0 74 79 0 # H/HG3 K8 204 8.311 4.286 0 U 0.000e+00 0.00e+00 - 0 74 75 0 # H/HA K8 205 8.311 1.618 0 U 0.000e+00 0.00e+00 - 0 74 66 0 # H K8/HG2 R7 206 8.311 1.789 0 U 0.000e+00 0.00e+00 - 0 74 64 0 # H K8/HB2 R7 207 8.311 8.223 0 U 1.170e+04 0.00e+00 e 0 74 62 0 # H K8/H R7 208 8.311 1.402 0 U 1.140e+04 0.00e+00 e 0 74 78 0 # H/HG2 K8 209 3.738 2.010 0 U 0.000e+00 0.00e+00 - 0 22 24 0 # HD2/QG P3 210 3.738 3.738 0 U 0.000e+00 0.00e+00 - 0 22 22 0 # HD2/HD2 P3 211 3.738 0.912 0 U 5.203e+04 0.00e+00 e 0 22 12 0 # HD2 P3/QD1 L2 212 3.738 2.312 0 U 1.402e+04 0.00e+00 e 0 22 20 0 # HD2/HB2 P3 213 3.738 1.589 0 U 1.213e+04 0.00e+00 e 0 22 10 0 # HD2 P3/HG L2 214 3.738 1.452 0 U 0.000e+00 0.00e+00 e 0 22 34 0 # HD2 P3/HG2 K4 215 3.738 7.370 0 U 0.000e+00 0.00e+00 - 0 22 6 0 # HD2 P3/QE F1 216 3.738 3.610 0 U 1.153e+06 0.00e+00 e 0 22 23 0 # HD2/HD3 P3 217 3.738 0.897 0 U 2.759e+04 0.00e+00 e 0 22 13 0 # HD2 P3/QD2 L2 218 3.738 8.344 0 U 0.000e+00 0.00e+00 e 0 22 30 0 # HD2 P3/H K4 219 3.738 1.872 0 U 1.867e+04 0.00e+00 e 0 22 21 0 # HD2/HB3 P3 220 3.738 1.526 0 U 3.663e+04 0.00e+00 e 0 22 11 0 # HD2 P3/QB L2 221 3.738 4.360 0 U 8.760e+03 0.00e+00 e 0 22 19 0 # HD2/HA P3 222 3.738 1.367 0 U 0.000e+00 0.00e+00 e 0 22 35 0 # HD2 P3/HG3 K4 223 3.738 4.636 0 U 9.444e+04 0.00e+00 e 0 22 9 0 # HD2 P3/HA L2 224 3.738 7.235 0 U 0.000e+00 0.00e+00 e 0 22 5 0 # HD2 P3/QD F1 225 1.654 0.861 0 U 0.000e+00 0.00e+00 - 0 121 123 0 # QB/QD2 L13 226 1.654 1.654 0 U 0.000e+00 0.00e+00 - 0 121 121 0 # QB/QB L13 227 1.654 4.272 0 U 0.000e+00 0.00e+00 - 0 121 119 0 # QB/HA L13 228 1.654 0.917 0 U 9.705e+04 0.00e+00 e 0 121 122 0 # QB/QD1 L13 229 1.654 1.573 0 U 0.000e+00 0.00e+00 - 0 121 120 0 # QB/HG L13 230 1.654 8.241 0 U 3.538e+04 0.00e+00 e 0 121 118 0 # QB/H L13 231 0.852 4.124 0 U 5.208e+04 0.00e+00 e 0 49 44 0 # QG2/HA I5 232 0.852 0.852 0 U 0.000e+00 0.00e+00 - 0 49 49 0 # QG2/QG2 I5 233 0.852 1.160 0 U 0.000e+00 0.00e+00 - 0 49 47 0 # QG2/HG13 I5 234 0.852 1.809 0 U 1.381e+05 0.00e+00 e 0 49 45 0 # QG2/HB I5 235 0.852 8.317 0 U 3.556e+04 0.00e+00 e 0 49 52 0 # QG2 I5/H L6 236 0.852 8.120 0 U 2.375e+04 0.00e+00 e 0 49 43 0 # QG2/H I5 237 0.852 0.839 0 U 0.000e+00 0.00e+00 - 0 49 48 0 # QG2/QD1 I5 238 0.852 1.444 0 U 0.000e+00 0.00e+00 - 0 49 46 0 # QG2/HG12 I5 239 1.719 1.557 0 U 0.000e+00 0.00e+00 - 0 65 67 0 # HB3/HG3 R7 240 1.719 8.311 0 U 1.539e+04 0.00e+00 e 0 65 74 0 # HB3 R7/H K8 241 1.719 1.719 0 U 0.000e+00 0.00e+00 - 0 65 65 0 # HB3/HB3 R7 242 1.719 4.296 0 U 0.000e+00 0.00e+00 - 0 65 63 0 # HB3/HA R7 243 1.719 3.169 0 U 0.000e+00 0.00e+00 - 0 65 68 0 # HB3/QD R7 244 1.719 1.618 0 U 0.000e+00 0.00e+00 - 0 65 66 0 # HB3/HG2 R7 245 1.719 1.789 0 U 0.000e+00 0.00e+00 - 0 65 64 0 # HB3/HB2 R7 246 1.719 8.223 0 U 1.976e+04 0.00e+00 e 0 65 62 0 # HB3/H R7 247 0.912 4.192 0 U 1.405e+04 0.00e+00 e 0 12 3 0 # QD1 L2/HA F1 248 0.912 3.738 0 U 2.792e+04 0.00e+00 e 0 12 22 0 # QD1 L2/HD2 P3 249 0.912 0.912 0 U 0.000e+00 0.00e+00 - 0 12 12 0 # QD1/QD1 L2 250 0.912 2.312 0 U 0.000e+00 0.00e+00 - 0 12 20 0 # QD1 L2/HB2 P3 251 0.912 1.589 0 U 5.564e+03 0.00e+00 e 0 12 10 0 # QD1/HG L2 253 0.912 3.610 0 U 3.776e+04 0.00e+00 e 0 12 23 0 # QD1 L2/HD3 P3 254 0.912 0.897 0 U 0.000e+00 0.00e+00 - 0 12 13 0 # QD1/QD2 L2 255 0.912 1.872 0 U 0.000e+00 0.00e+00 - 0 12 21 0 # QD1 L2/HB3 P3 256 0.912 1.526 0 U 8.646e+04 0.00e+00 e 0 12 11 0 # QD1/QB L2 257 0.912 4.636 0 U 9.994e+03 0.00e+00 e 0 12 9 0 # QD1/HA L2 258 0.836 1.808 0 U 0.000e+00 0.00e+00 - 0 92 89 0 # QD1/HB I9 259 0.836 8.307 0 U 1.744e+04 0.00e+00 e 0 92 96 0 # QD1 I9/H V10 260 0.836 8.253 0 U 2.888e+04 0.00e+00 e 0 92 87 0 # QD1/H I9 261 0.836 0.836 0 U 0.000e+00 0.00e+00 - 0 92 92 0 # QD1/QD1 I9 262 0.836 1.456 0 U 0.000e+00 0.00e+00 - 0 92 90 0 # QD1/HG12 I9 263 0.836 4.141 0 U 7.386e+04 0.00e+00 e 0 92 88 0 # QD1/HA I9 264 0.836 0.843 0 U 0.000e+00 0.00e+00 - 0 92 93 0 # QD1/QG2 I9 265 0.836 1.161 0 U 0.000e+00 0.00e+00 - 0 92 91 0 # QD1/HG13 I9 266 1.622 4.310 0 U 0.000e+00 0.00e+00 - 0 108 105 0 # HG2/HA R11 267 1.622 3.174 0 U 0.000e+00 0.00e+00 - 0 108 110 0 # HG2/QD R11 268 1.622 1.622 0 U 0.000e+00 0.00e+00 - 0 108 108 0 # HG2/HG2 R11 269 1.622 1.800 0 U 0.000e+00 0.00e+00 - 0 108 106 0 # HG2/HB2 R11 270 1.622 8.354 0 U 0.000e+00 0.00e+00 - 0 108 113 0 # HG2 R11/H A12 271 1.622 8.392 0 U 3.403e+03 0.00e+00 e 0 108 104 0 # HG2/H R11 272 1.622 1.583 0 U 0.000e+00 0.00e+00 - 0 108 109 0 # HG2/HG3 R11 273 1.622 1.723 0 U 0.000e+00 0.00e+00 - 0 108 107 0 # HG2/HB3 R11 274 0.912 4.374 0 U 2.405e+04 0.00e+00 e 0 56 53 0 # QD1/HA L6 275 0.912 0.912 0 U 0.000e+00 0.00e+00 - 0 56 56 0 # QD1/QD1 L6 276 0.912 1.568 0 U 0.000e+00 0.00e+00 - 0 56 54 0 # QD1/HG L6 277 0.912 8.317 0 U 2.822e+04 0.00e+00 e 0 56 52 0 # QD1/H L6 278 0.912 0.851 0 U 8.446e+05 0.00e+00 e 0 56 57 0 # QD1/QD2 L6 279 0.912 1.611 0 U 2.075e+04 0.00e+00 e 0 56 55 0 # QD1/QB L6 280 2.312 2.010 0 U 8.314e+04 0.00e+00 e 0 20 24 0 # HB2/QG P3 281 2.312 3.738 0 U 1.138e+04 0.00e+00 e 0 20 22 0 # HB2/HD2 P3 282 2.312 0.912 0 U 0.000e+00 0.00e+00 - 0 20 12 0 # HB2 P3/QD1 L2 283 2.312 2.312 0 U 0.000e+00 0.00e+00 - 0 20 20 0 # HB2/HB2 P3 284 2.312 1.589 0 U 0.000e+00 0.00e+00 - 0 20 10 0 # HB2 P3/HG L2 285 2.312 3.610 0 U 1.150e+04 0.00e+00 e 0 20 23 0 # HB2/HD3 P3 286 2.312 0.897 0 U 0.000e+00 0.00e+00 - 0 20 13 0 # HB2 P3/QD2 L2 287 2.312 8.344 0 U 9.371e+03 0.00e+00 e 0 20 30 0 # HB2 P3/H K4 288 2.312 1.872 0 U 7.166e+05 0.00e+00 e 0 20 21 0 # HB2/HB3 P3 289 2.312 1.526 0 U 0.000e+00 0.00e+00 - 0 20 11 0 # HB2 P3/QB L2 290 2.312 4.360 0 U 2.132e+05 0.00e+00 e 0 20 19 0 # HB2/HA P3 291 1.671 1.730 0 U 0.000e+00 0.00e+00 - 0 36 33 0 # QD/HB3 K4 292 1.671 4.215 0 U 1.644e+04 0.00e+00 e 0 36 31 0 # QD/HA K4 293 1.671 1.671 0 U 0.000e+00 0.00e+00 - 0 36 36 0 # QD/QD K4 294 1.671 1.452 0 U 0.000e+00 0.00e+00 - 0 36 34 0 # QD/HG2 K4 295 1.671 1.760 0 U 0.000e+00 0.00e+00 - 0 36 32 0 # QD/HB2 K4 296 1.671 8.120 0 U 0.000e+00 0.00e+00 e 0 36 43 0 # QD K4/H I5 297 1.671 8.344 0 U 0.000e+00 0.00e+00 - 0 36 30 0 # QD/H K4 298 1.671 2.966 0 U 0.000e+00 0.00e+00 - 0 36 37 0 # QD/QE K4 299 1.671 1.367 0 U 0.000e+00 0.00e+00 - 0 36 35 0 # QD/HG3 K4 300 4.272 0.861 0 U 6.555e+04 0.00e+00 e 0 119 123 0 # HA/QD2 L13 301 4.272 1.654 0 U 0.000e+00 0.00e+00 - 0 119 121 0 # HA/QB L13 302 4.272 4.272 0 U 0.000e+00 0.00e+00 - 0 119 119 0 # HA/HA L13 303 4.272 0.917 0 U 6.602e+04 0.00e+00 e 0 119 122 0 # HA/QD1 L13 304 4.272 1.573 0 U 0.000e+00 0.00e+00 - 0 119 120 0 # HA/HG L13 305 4.272 8.241 0 U 4.831e+04 0.00e+00 e 0 119 118 0 # HA/H L13 306 0.907 8.307 0 U 7.700e+04 0.00e+00 e 0 125 96 0 # QG2/H V10 307 0.907 0.907 0 U 0.000e+00 0.00e+00 - 0 125 125 0 # QG2/QG2 V10 309 0.907 8.392 0 U 6.489e+03 0.00e+00 e 0 125 104 0 # QG2 V10/H R11 310 0.907 0.892 0 U 0.000e+00 0.00e+00 - 0 125 124 0 # QG2/QG1 V10 311 0.907 2.013 0 U 1.934e+05 0.00e+00 e 0 125 98 0 # QG2/HB V10 312 1.160 4.124 0 U 1.374e+04 0.00e+00 e 0 47 44 0 # HG13/HA I5 313 1.160 0.852 0 U 8.000e+04 0.00e+00 e 0 47 49 0 # HG13/QG2 I5 314 1.160 1.160 0 U 0.000e+00 0.00e+00 - 0 47 47 0 # HG13/HG13 I5 315 1.160 1.809 0 U 0.000e+00 0.00e+00 - 0 47 45 0 # HG13/HB I5 316 1.160 8.317 0 U 0.000e+00 0.00e+00 - 0 47 52 0 # HG13 I5/H L6 317 1.160 8.120 0 U 5.414e+03 0.00e+00 e 0 47 43 0 # HG13/H I5 318 1.160 0.839 0 U 0.000e+00 0.00e+00 - 0 47 48 0 # HG13/QD1 I5 319 1.160 1.444 0 U 0.000e+00 0.00e+00 - 0 47 46 0 # HG13/HG12 I5 320 4.296 1.557 0 U 3.414e+04 0.00e+00 e 0 63 67 0 # HA/HG3 R7 321 4.296 8.311 0 U 3.660e+04 0.00e+00 e 0 63 74 0 # HA R7/H K8 322 4.296 1.719 0 U 0.000e+00 0.00e+00 - 0 63 65 0 # HA/HB3 R7 323 4.296 4.296 0 U 0.000e+00 0.00e+00 - 0 63 63 0 # HA/HA R7 324 4.296 3.169 0 U 6.703e+04 0.00e+00 e 0 63 68 0 # HA/QD R7 325 4.296 1.618 0 U 4.126e+04 0.00e+00 e 0 63 66 0 # HA/HG2 R7 326 4.296 1.789 0 U 0.000e+00 0.00e+00 - 0 63 64 0 # HA/HB2 R7 327 4.296 8.223 0 U 2.152e+04 0.00e+00 e 0 63 62 0 # HA/H R7 328 1.589 4.192 0 U 5.060e+03 0.00e+00 e 0 10 3 0 # HG L2/HA F1 329 1.589 3.738 0 U 1.099e+04 0.00e+00 e 0 10 22 0 # HG L2/HD2 P3 330 1.589 0.912 0 U 3.064e+04 0.00e+00 e 0 10 12 0 # HG/QD1 L2 331 1.589 2.312 0 U 0.000e+00 0.00e+00 - 0 10 20 0 # HG L2/HB2 P3 332 1.589 1.589 0 U 0.000e+00 0.00e+00 - 0 10 10 0 # HG/HG L2 334 1.589 3.610 0 U 8.292e+03 0.00e+00 e 0 10 23 0 # HG L2/HD3 P3 335 1.589 0.897 0 U 0.000e+00 0.00e+00 - 0 10 13 0 # HG/QD2 L2 336 1.589 1.872 0 U 0.000e+00 0.00e+00 - 0 10 21 0 # HG L2/HB3 P3 337 1.589 1.526 0 U 2.746e+05 0.00e+00 e 0 10 11 0 # HG/QB L2 338 1.589 4.636 0 U 6.978e+03 0.00e+00 e 0 10 9 0 # HG/HA L2 339 1.456 1.808 0 U 0.000e+00 0.00e+00 - 0 90 89 0 # HG12/HB I9 340 1.456 8.307 0 U 4.892e+03 0.00e+00 e 0 90 96 0 # HG12 I9/H V10 341 1.456 8.253 0 U 2.767e+04 0.00e+00 e 0 90 87 0 # HG12/H I9 342 1.456 0.836 0 U 0.000e+00 0.00e+00 - 0 90 92 0 # HG12/QD1 I9 343 1.456 1.456 0 U 0.000e+00 0.00e+00 - 0 90 90 0 # HG12/HG12 I9 344 1.456 4.141 0 U 2.741e+04 0.00e+00 e 0 90 88 0 # HG12/HA I9 345 1.456 0.843 0 U 0.000e+00 0.00e+00 - 0 90 93 0 # HG12/QG2 I9 346 1.456 1.161 0 U 0.000e+00 0.00e+00 - 0 90 91 0 # HG12/HG13 I9 347 1.800 4.310 0 U 0.000e+00 0.00e+00 - 0 106 105 0 # HB2/HA R11 348 1.800 3.174 0 U 0.000e+00 0.00e+00 - 0 106 110 0 # HB2/QD R11 349 1.800 1.622 0 U 0.000e+00 0.00e+00 - 0 106 108 0 # HB2/HG2 R11 350 1.800 1.800 0 U 0.000e+00 0.00e+00 - 0 106 106 0 # HB2/HB2 R11 351 1.800 8.354 0 U 1.215e+04 0.00e+00 e 0 106 113 0 # HB2 R11/H A12 352 1.800 8.392 0 U 1.569e+04 0.00e+00 e 0 106 104 0 # HB2/H R11 353 1.800 1.583 0 U 0.000e+00 0.00e+00 - 0 106 109 0 # HB2/HG3 R11 354 1.800 1.723 0 U 0.000e+00 0.00e+00 - 0 106 107 0 # HB2/HB3 R11 355 1.568 4.374 0 U 2.337e+04 0.00e+00 e 0 54 53 0 # HG/HA L6 356 1.568 0.912 0 U 0.000e+00 0.00e+00 - 0 54 56 0 # HG/QD1 L6 357 1.568 1.568 0 U 0.000e+00 0.00e+00 - 0 54 54 0 # HG/HG L6 358 1.568 8.317 0 U 1.668e+04 0.00e+00 e 0 54 52 0 # HG/H L6 359 1.568 0.851 0 U 1.008e+05 0.00e+00 e 0 54 57 0 # HG/QD2 L6 360 1.568 1.611 0 U 1.069e+06 0.00e+00 e 0 54 55 0 # HG/QB L6 361 1.452 1.730 0 U 0.000e+00 0.00e+00 - 0 34 33 0 # HG2/HB3 K4 362 1.452 4.215 0 U 1.028e+04 0.00e+00 e 0 34 31 0 # HG2/HA K4 363 1.452 3.738 0 U 0.000e+00 0.00e+00 - 0 34 22 0 # HG2 K4/HD2 P3 364 1.452 1.671 0 U 0.000e+00 0.00e+00 - 0 34 36 0 # HG2/QD K4 365 1.452 1.452 0 U 0.000e+00 0.00e+00 - 0 34 34 0 # HG2/HG2 K4 366 1.452 1.760 0 U 0.000e+00 0.00e+00 - 0 34 32 0 # HG2/HB2 K4 367 1.452 8.120 0 U 9.846e+03 0.00e+00 e 0 34 43 0 # HG2 K4/H I5 368 1.452 3.610 0 U 0.000e+00 0.00e+00 - 0 34 23 0 # HG2 K4/HD3 P3 369 1.452 8.344 0 U 7.494e+03 0.00e+00 e 0 34 30 0 # HG2/H K4 370 1.452 2.966 0 U 2.470e+04 0.00e+00 e 0 34 37 0 # HG2/QE K4 371 1.452 1.367 0 U 7.464e+05 0.00e+00 e 0 34 35 0 # HG2/HG3 K4 372 2.965 1.661 0 U 0.000e+00 0.00e+00 - 0 81 80 0 # QE/QD K8 373 2.965 1.758 0 U 0.000e+00 0.00e+00 - 0 81 76 0 # QE/HB2 K8 374 2.965 8.253 0 U 8.770e+02 0.00e+00 e 0 81 87 0 # QE K8/H I9 375 2.965 8.311 0 U 2.346e+03 0.00e+00 e 0 81 74 0 # QE/H K8 376 2.965 2.965 0 U 0.000e+00 0.00e+00 - 0 81 81 0 # QE/QE K8 377 2.965 1.706 0 U 0.000e+00 0.00e+00 - 0 81 77 0 # QE/HB3 K8 378 2.965 1.332 0 U 1.207e+04 0.00e+00 e 0 81 79 0 # QE/HG3 K8 379 2.965 4.286 0 U 0.000e+00 0.00e+00 - 0 81 75 0 # QE/HA K8 380 2.965 1.402 0 U 1.343e+04 0.00e+00 e 0 81 78 0 # QE/HG2 K8 381 4.086 8.307 0 U 5.838e+03 0.00e+00 e 0 97 96 0 # HA/H V10 382 4.086 0.907 0 U 5.155e+04 0.00e+00 e 0 97 125 0 # HA/QG2 V10 383 4.086 4.086 0 U 0.000e+00 0.00e+00 - 0 97 97 0 # HA/HA V10 384 4.086 0.892 0 U 1.138e+05 0.00e+00 e 0 97 124 0 # HA/QG1 V10 385 4.086 2.013 0 U 0.000e+00 0.00e+00 - 0 97 98 0 # HA/HB V10 386 8.354 4.310 0 U 2.947e+04 0.00e+00 e 0 113 105 0 # H A12/HA R11 387 8.354 8.307 0 U 1.818e+04 0.00e+00 e 0 113 96 0 # H A12/H V10 388 8.354 3.174 0 U 0.000e+00 0.00e+00 - 0 113 110 0 # H A12/QD R11 389 8.354 1.622 0 U 0.000e+00 0.00e+00 - 0 113 108 0 # H A12/HG2 R11 390 8.354 1.800 0 U 0.000e+00 0.00e+00 - 0 113 106 0 # H A12/HB2 R11 391 8.354 8.354 0 U 0.000e+00 0.00e+00 - 0 113 113 0 # H/H A12 392 8.354 8.392 0 U 0.000e+00 0.00e+00 - 0 113 104 0 # H A12/H R11 393 8.354 1.363 0 U 5.259e+04 0.00e+00 e 0 113 115 0 # H/QB A12 394 8.354 1.583 0 U 0.000e+00 0.00e+00 - 0 113 109 0 # H A12/HG3 R11 395 8.354 1.723 0 U 0.000e+00 0.00e+00 - 0 113 107 0 # H A12/HB3 R11 396 8.354 8.241 0 U 1.836e+04 0.00e+00 e 0 113 118 0 # H A12/H L13 397 8.354 4.303 0 U 3.070e+04 0.00e+00 e 0 113 114 0 # H/HA A12 398 1.809 4.124 0 U 2.662e+04 0.00e+00 e 0 45 44 0 # HB/HA I5 399 1.809 0.852 0 U 7.708e+04 0.00e+00 e 0 45 49 0 # HB/QG2 I5 400 1.809 1.160 0 U 0.000e+00 0.00e+00 - 0 45 47 0 # HB/HG13 I5 401 1.809 1.809 0 U 0.000e+00 0.00e+00 - 0 45 45 0 # HB/HB I5 402 1.809 8.317 0 U 2.440e+04 0.00e+00 e 0 45 52 0 # HB I5/H L6 403 1.809 8.120 0 U 3.627e+04 0.00e+00 e 0 45 43 0 # HB/H I5 404 1.809 0.839 0 U 0.000e+00 0.00e+00 - 0 45 48 0 # HB/QD1 I5 405 1.809 1.444 0 U 0.000e+00 0.00e+00 - 0 45 46 0 # HB/HG12 I5 406 1.706 1.661 0 U 0.000e+00 0.00e+00 - 0 77 80 0 # HB3/QD K8 407 1.706 1.758 0 U 0.000e+00 0.00e+00 - 0 77 76 0 # HB3/HB2 K8 408 1.706 8.253 0 U 1.289e+04 0.00e+00 e 0 77 87 0 # HB3 K8/H I9 409 1.706 8.311 0 U 1.698e+04 0.00e+00 e 0 77 74 0 # HB3/H K8 410 1.706 2.965 0 U 0.000e+00 0.00e+00 - 0 77 81 0 # HB3/QE K8 411 1.706 1.706 0 U 0.000e+00 0.00e+00 - 0 77 77 0 # HB3/HB3 K8 412 1.706 1.332 0 U 9.802e+04 0.00e+00 e 0 77 79 0 # HB3/HG3 K8 413 1.706 4.286 0 U 0.000e+00 0.00e+00 - 0 77 75 0 # HB3/HA K8 414 1.706 1.402 0 U 0.000e+00 0.00e+00 - 0 77 78 0 # HB3/HG2 K8 415 3.139 4.192 0 U 1.090e+05 0.00e+00 e 0 4 3 0 # QB/HA F1 416 3.139 0.912 0 U 5.890e+03 0.00e+00 e 0 4 56 0 # QB F1/QD1 L2 418 3.139 3.140 0 U 9.526e+06 0.00e+00 e 0 4 4 0 # QB/QB F1 419 3.139 7.370 0 U 7.774e+03 0.00e+00 e 0 4 6 0 # QB/QE F1 420 3.139 0.897 0 U 7.648e+03 0.00e+00 e 0 4 13 0 # QB F1/QD2 L2 421 3.139 1.526 0 U 4.150e+03 0.00e+00 e 0 4 11 0 # QB F1/QB L2 422 3.139 7.235 0 U 4.547e+04 0.00e+00 e 0 4 5 0 # QB/QD F1 423 4.141 1.808 0 U 0.000e+00 0.00e+00 - 0 88 89 0 # HA/HB I9 424 4.141 8.253 0 U 2.431e+03 0.00e+00 e 0 88 87 0 # HA/H I9 425 4.141 0.836 0 U 9.385e+04 0.00e+00 e 0 88 92 0 # HA/QD1 I9 426 4.141 1.456 0 U 4.158e+04 0.00e+00 e 0 88 90 0 # HA/HG12 I9 427 4.141 4.141 0 U 0.000e+00 0.00e+00 - 0 88 88 0 # HA/HA I9 428 4.141 0.843 0 U 4.944e+04 0.00e+00 e 0 88 93 0 # HA/QG2 I9 429 4.141 1.161 0 U 4.431e+04 0.00e+00 e 0 88 91 0 # HA/HG13 I9 430 8.392 4.310 0 U 0.000e+00 0.00e+00 - 0 104 105 0 # H/HA R11 431 8.392 8.307 0 U 3.384e+04 0.00e+00 e 0 104 96 0 # H R11/H V10 432 8.392 3.174 0 U 0.000e+00 0.00e+00 - 0 104 110 0 # H/QD R11 433 8.392 1.622 0 U 9.670e+03 0.00e+00 e 0 104 108 0 # H/HG2 R11 434 8.392 0.912 0 U 0.000e+00 0.00e+00 - 0 0 0 0 435 8.392 1.800 0 U 2.373e+04 0.00e+00 e 0 104 106 0 # H/HB2 R11 436 8.392 8.354 0 U 0.000e+00 0.00e+00 - 0 104 113 0 # H R11/H A12 437 8.392 8.392 0 U 0.000e+00 0.00e+00 - 0 104 104 0 # H/H R11 438 8.392 1.583 0 U 1.591e+04 0.00e+00 e 0 104 109 0 # H/HG3 R11 440 8.392 1.723 0 U 2.882e+04 0.00e+00 e 0 104 107 0 # H/HB3 R11 441 8.392 8.241 0 U 0.000e+00 0.00e+00 - 0 104 118 0 # H R11/H L13 442 8.392 2.013 0 U 1.338e+04 0.00e+00 e 0 104 98 0 # H R11/HB V10 443 8.317 4.374 0 U 5.766e+04 0.00e+00 e 0 52 53 0 # H/HA L6 444 8.317 4.124 0 U 2.858e+04 0.00e+00 e 0 52 44 0 # H L6/HA I5 445 8.317 0.852 0 U 0.000e+00 0.00e+00 - 0 52 49 0 # H L6/QG2 I5 446 8.317 0.912 0 U 4.442e-34 0.00e+00 e 0 52 56 0 # H/QD1 L6 447 8.317 1.160 0 U 2.050e+03 0.00e+00 e 0 52 47 0 # H L6/HG13 I5 448 8.317 1.568 0 U 1.159e+04 0.00e+00 e 0 52 54 0 # H/HG L6 449 8.317 1.809 0 U 4.176e+04 0.00e+00 e 0 52 45 0 # H L6/HB I5 450 8.317 8.317 0 U 0.000e+00 0.00e+00 - 0 52 52 0 # H/H L6 451 8.317 8.120 0 U 2.033e+04 0.00e+00 e 0 52 43 0 # H L6/H I5 452 8.317 0.851 0 U 0.000e+00 0.00e+00 - 0 52 57 0 # H/QD2 L6 453 8.317 0.839 0 U 0.000e+00 0.00e+00 - 0 52 48 0 # H L6/QD1 I5 454 8.317 1.611 0 U 3.605e+04 0.00e+00 e 0 52 55 0 # H/QB L6 455 8.317 1.444 0 U 7.656e+03 0.00e+00 e 0 52 46 0 # H L6/HG12 I5 456 8.317 8.223 0 U 1.513e+04 0.00e+00 e 0 52 62 0 # H L6/H R7 457 3.169 1.557 0 U 0.000e+00 0.00e+00 - 0 68 67 0 # QD/HG3 R7 458 3.169 8.311 0 U 4.909e+03 0.00e+00 e 0 68 74 0 # QD R7/H K8 459 3.169 1.719 0 U 0.000e+00 0.00e+00 - 0 68 65 0 # QD/HB3 R7 460 3.169 4.296 0 U 0.000e+00 0.00e+00 - 0 68 63 0 # QD/HA R7 461 3.169 3.169 0 U 0.000e+00 0.00e+00 - 0 68 68 0 # QD/QD R7 462 3.169 1.618 0 U 0.000e+00 0.00e+00 - 0 68 66 0 # QD/HG2 R7 463 3.169 1.789 0 U 0.000e+00 0.00e+00 - 0 68 64 0 # QD/HB2 R7 464 3.169 8.223 0 U 1.300e+03 0.00e+00 e 0 68 62 0 # QD/H R7 465 1.760 1.730 0 U 0.000e+00 0.00e+00 - 0 32 33 0 # HB2/HB3 K4 466 1.760 4.215 0 U 1.192e+04 0.00e+00 e 0 32 31 0 # HB2/HA K4 467 1.760 1.671 0 U 0.000e+00 0.00e+00 - 0 32 36 0 # HB2/QD K4 468 1.760 1.452 0 U 0.000e+00 0.00e+00 - 0 32 34 0 # HB2/HG2 K4 469 1.760 1.760 0 U 0.000e+00 0.00e+00 - 0 32 32 0 # HB2/HB2 K4 470 1.760 8.120 0 U 1.249e+04 0.00e+00 e 0 32 43 0 # HB2 K4/H I5 471 1.760 8.344 0 U 0.000e+00 0.00e+00 - 0 32 30 0 # HB2/H K4 472 1.760 2.966 0 U 0.000e+00 0.00e+00 - 0 32 37 0 # HB2/QE K4 473 1.760 1.367 0 U 0.000e+00 0.00e+00 - 0 32 35 0 # HB2/HG3 K4 474 1.363 8.354 0 U 3.264e+04 0.00e+00 e 0 115 113 0 # QB/H A12 475 1.363 1.363 0 U 0.000e+00 0.00e+00 - 0 115 115 0 # QB/QB A12 476 1.363 8.241 0 U 3.358e+04 0.00e+00 e 0 115 118 0 # QB A12/H L13 477 1.363 4.303 0 U 1.862e+05 0.00e+00 e 0 115 114 0 # QB/HA A12 478 1.332 1.661 0 U 0.000e+00 0.00e+00 - 0 79 80 0 # HG3/QD K8 479 1.332 1.758 0 U 0.000e+00 0.00e+00 - 0 79 76 0 # HG3/HB2 K8 480 1.332 8.253 0 U 0.000e+00 0.00e+00 e 0 79 87 0 # HG3 K8/H I9 481 1.332 8.311 0 U 0.000e+00 0.00e+00 e 0 79 74 0 # HG3/H K8 482 1.332 2.965 0 U 6.971e+03 0.00e+00 e 0 79 81 0 # HG3/QE K8 483 1.332 1.706 0 U 0.000e+00 0.00e+00 - 0 79 77 0 # HG3/HB3 K8 484 1.332 1.332 0 U 0.000e+00 0.00e+00 - 0 79 79 0 # HG3/HG3 K8 485 1.332 4.286 0 U 1.682e+04 0.00e+00 e 0 79 75 0 # HG3/HA K8 486 1.332 1.402 0 U 1.025e+06 0.00e+00 e 0 79 78 0 # HG3/HG2 K8 487 8.120 1.730 0 U 0.000e+00 0.00e+00 - 0 43 33 0 # H I5/HB3 K4 488 8.120 4.124 0 U 0.000e+00 0.00e+00 e 0 43 44 0 # H/HA I5 489 8.120 4.215 0 U 1.102e+05 0.00e+00 e 0 43 31 0 # H I5/HA K4 490 8.120 0.852 0 U 5.687e+04 0.00e+00 e 0 43 49 0 # H/QG2 I5 491 8.120 1.671 0 U 0.000e+00 0.00e+00 - 0 43 36 0 # H I5/QD K4 492 8.120 1.160 0 U 2.221e+04 0.00e+00 e 0 43 47 0 # H/HG13 I5 493 8.120 1.452 0 U 2.472e+04 0.00e+00 e 0 43 34 0 # H I5/HG2 K4 494 8.120 1.809 0 U 4.414e+04 0.00e+00 e 0 43 45 0 # H/HB I5 495 8.120 8.317 0 U 1.932e+04 0.00e+00 e 0 43 52 0 # H I5/H L6 496 8.120 1.760 0 U 0.000e+00 0.00e+00 - 0 43 32 0 # H I5/HB2 K4 497 8.120 8.120 0 U 0.000e+00 0.00e+00 - 0 43 43 0 # H/H I5 498 8.120 8.344 0 U 3.030e+04 0.00e+00 e 0 43 30 0 # H I5/H K4 499 8.120 0.839 0 U 2.729e+04 0.00e+00 e 0 43 48 0 # H/QD1 I5 500 8.120 4.360 0 U 1.377e+04 0.00e+00 e 0 43 19 0 # H I5/HA P3 501 8.120 1.367 0 U 8.580e+03 0.00e+00 e 0 43 35 0 # H I5/HG3 K4 502 8.120 1.444 0 U 0.000e+00 0.00e+00 - 0 43 46 0 # H/HG12 I5 503 8.120 8.223 0 U 5.360e+02 0.00e+00 e 0 43 62 0 # H I5/H R7 504 4.286 1.661 0 U 0.000e+00 0.00e+00 - 0 75 80 0 # HA/QD K8 505 4.286 1.758 0 U 0.000e+00 0.00e+00 - 0 75 76 0 # HA/HB2 K8 506 4.286 8.253 0 U 1.115e+05 0.00e+00 e 0 75 87 0 # HA K8/H I9 507 4.286 8.311 0 U 2.824e+04 0.00e+00 e 0 75 74 0 # HA/H K8 508 4.286 2.965 0 U 1.614e+04 0.00e+00 e 0 75 81 0 # HA/QE K8 509 4.286 1.706 0 U 0.000e+00 0.00e+00 - 0 75 77 0 # HA/HB3 K8 510 4.286 1.332 0 U 1.792e+04 0.00e+00 e 0 75 79 0 # HA/HG3 K8 511 4.286 4.286 0 U 0.000e+00 0.00e+00 - 0 75 75 0 # HA/HA K8 512 4.286 1.402 0 U 1.606e+04 0.00e+00 e 0 75 78 0 # HA/HG2 K8 513 7.370 4.192 0 U 3.835e+03 0.00e+00 e 0 6 3 0 # QE/HA F1 514 7.370 3.738 0 U 0.000e+00 0.00e+00 - 0 6 22 0 # QE F1/HD2 P3 515 7.370 3.139 0 U 1.500e+04 0.00e+00 e 0 6 4 0 # QE/QB F1 516 7.370 7.370 0 U 0.000e+00 0.00e+00 - 0 6 6 0 # QE/QE F1 517 7.370 3.610 0 U 1.791e+03 0.00e+00 e 0 6 23 0 # QE F1/HD3 P3 518 7.370 7.235 0 U 4.429e+05 0.00e+00 e 0 6 5 0 # QE/QD F1 519 3.610 2.010 0 U 0.000e+00 0.00e+00 - 0 23 24 0 # HD3/QG P3 520 3.610 3.738 0 U 1.028e+06 0.00e+00 e 0 23 22 0 # HD3/HD2 P3 521 3.610 0.912 0 U 4.606e+04 0.00e+00 e 0 23 12 0 # HD3 P3/QD1 L2 522 3.610 2.312 0 U 9.427e+03 0.00e+00 e 0 23 20 0 # HD3/HB2 P3 523 3.610 1.589 0 U 1.130e+04 0.00e+00 e 0 23 10 0 # HD3 P3/HG L2 524 3.610 1.452 0 U 0.000e+00 0.00e+00 e 0 23 34 0 # HD3 P3/HG2 K4 525 3.610 7.370 0 U 8.270e+02 0.00e+00 e 0 23 6 0 # HD3 P3/QE F1 526 3.610 3.610 0 U 0.000e+00 0.00e+00 - 0 23 23 0 # HD3/HD3 P3 527 3.610 0.897 0 U 2.543e+04 0.00e+00 e 0 23 13 0 # HD3 P3/QD2 L2 528 3.610 8.344 0 U 0.000e+00 0.00e+00 e 0 23 30 0 # HD3 P3/H K4 529 3.610 1.872 0 U 2.346e+04 0.00e+00 e 0 23 21 0 # HD3/HB3 P3 530 3.610 1.526 0 U 4.309e+04 0.00e+00 e 0 23 11 0 # HD3 P3/QB L2 531 3.610 4.360 0 U 1.012e+04 0.00e+00 e 0 23 19 0 # HD3/HA P3 532 3.610 1.367 0 U 0.000e+00 0.00e+00 e 0 23 35 0 # HD3 P3/HG3 K4 533 3.610 4.636 0 U 7.332e+04 0.00e+00 e 0 23 9 0 # HD3 P3/HA L2 534 3.610 7.235 0 U 0.000e+00 0.00e+00 e 0 23 5 0 # HD3 P3/QD F1 535 0.917 0.861 0 U 0.000e+00 0.00e+00 - 0 122 123 0 # QD1/QD2 L13 536 0.917 1.654 0 U 4.422e+04 0.00e+00 e 0 122 121 0 # QD1/QB L13 537 0.917 4.272 0 U 6.045e+04 0.00e+00 e 0 122 119 0 # QD1/HA L13 538 0.917 0.917 0 U 0.000e+00 0.00e+00 - 0 122 122 0 # QD1/QD1 L13 539 0.917 1.573 0 U 0.000e+00 0.00e+00 - 0 122 120 0 # QD1/HG L13 540 0.917 8.241 0 U 0.000e+00 0.00e+00 - 0 122 118 0 # QD1/H L13 541 1.618 1.557 0 U 0.000e+00 0.00e+00 - 0 66 67 0 # HG2/HG3 R7 542 1.618 8.311 0 U 1.312e+04 0.00e+00 e 0 66 74 0 # HG2 R7/H K8 543 1.618 1.719 0 U 0.000e+00 0.00e+00 - 0 66 65 0 # HG2/HB3 R7 544 1.618 4.296 0 U 5.589e+04 0.00e+00 e 0 66 63 0 # HG2/HA R7 545 1.618 3.169 0 U 0.000e+00 0.00e+00 - 0 66 68 0 # HG2/QD R7 546 1.618 1.618 0 U 0.000e+00 0.00e+00 - 0 66 66 0 # HG2/HG2 R7 547 1.618 1.789 0 U 0.000e+00 0.00e+00 - 0 66 64 0 # HG2/HB2 R7 548 1.618 8.223 0 U 0.000e+00 0.00e+00 - 0 66 62 0 # HG2/H R7 549 0.897 4.192 0 U 1.440e+04 0.00e+00 e 0 13 3 0 # QD2 L2/HA F1 550 0.897 3.738 0 U 3.468e+04 0.00e+00 e 0 13 22 0 # QD2 L2/HD2 P3 551 0.897 0.912 0 U 0.000e+00 0.00e+00 - 0 13 12 0 # QD2/QD1 L2 552 0.897 2.312 0 U 0.000e+00 0.00e+00 - 0 13 20 0 # QD2 L2/HB2 P3 553 0.897 1.589 0 U 0.000e+00 0.00e+00 - 0 13 10 0 # QD2/HG L2 555 0.897 3.610 0 U 2.054e+04 0.00e+00 e 0 13 23 0 # QD2 L2/HD3 P3 556 0.897 0.897 0 U 0.000e+00 0.00e+00 - 0 13 13 0 # QD2/QD2 L2 557 0.897 1.872 0 U 0.000e+00 0.00e+00 - 0 13 21 0 # QD2 L2/HB3 P3 558 0.897 1.526 0 U 3.546e+04 0.00e+00 e 0 13 11 0 # QD2/QB L2 559 0.897 4.636 0 U 2.340e+04 0.00e+00 e 0 13 9 0 # QD2/HA L2 560 8.344 1.730 0 U 4.818e+04 0.00e+00 e 0 30 33 0 # H/HB3 K4 561 8.344 2.010 0 U 1.722e+04 0.00e+00 e 0 30 24 0 # H K4/QG P3 562 8.344 4.215 0 U 1.938e+04 0.00e+00 e 0 30 31 0 # H/HA K4 563 8.344 3.738 0 U 0.000e+00 0.00e+00 e 0 30 22 0 # H K4/HD2 P3 564 8.344 2.312 0 U 1.425e+04 0.00e+00 e 0 30 20 0 # H K4/HB2 P3 565 8.344 1.671 0 U 7.284e+03 0.00e+00 e 0 30 36 0 # H/QD K4 566 8.344 1.452 0 U 2.564e+04 0.00e+00 e 0 30 34 0 # H/HG2 K4 567 8.344 1.760 0 U 0.000e+00 0.00e+00 - 0 30 32 0 # H/HB2 K4 568 8.344 8.120 0 U 2.352e+04 0.00e+00 e 0 30 43 0 # H K4/H I5 569 8.344 3.610 0 U 0.000e+00 0.00e+00 e 0 30 23 0 # H K4/HD3 P3 570 8.344 8.344 0 U 0.000e+00 0.00e+00 - 0 30 30 0 # H/H K4 571 8.344 1.872 0 U 1.826e+04 0.00e+00 e 0 30 21 0 # H K4/HB3 P3 572 8.344 2.966 0 U 5.967e+03 0.00e+00 e 0 30 37 0 # H/QE K4 573 8.344 4.360 0 U 0.000e+00 0.00e+00 - 0 30 19 0 # H K4/HA P3 574 8.344 1.367 0 U 0.000e+00 0.00e+00 - 0 30 35 0 # H/HG3 K4 575 0.843 1.808 0 U 0.000e+00 0.00e+00 - 0 93 89 0 # QG2/HB I9 576 0.843 8.307 0 U 1.683e+04 0.00e+00 e 0 93 96 0 # QG2 I9/H V10 577 0.843 8.253 0 U 1.448e+04 0.00e+00 e 0 93 87 0 # QG2/H I9 578 0.843 0.836 0 U 0.000e+00 0.00e+00 - 0 93 92 0 # QG2/QD1 I9 579 0.843 1.456 0 U 0.000e+00 0.00e+00 - 0 93 90 0 # QG2/HG12 I9 580 0.843 4.141 0 U 7.799e+04 0.00e+00 e 0 93 88 0 # QG2/HA I9 581 0.843 0.843 0 U 0.000e+00 0.00e+00 - 0 93 93 0 # QG2/QG2 I9 582 0.843 1.161 0 U 0.000e+00 0.00e+00 - 0 93 91 0 # QG2/HG13 I9 583 1.583 4.310 0 U 0.000e+00 0.00e+00 - 0 109 105 0 # HG3/HA R11 584 1.583 3.174 0 U 0.000e+00 0.00e+00 - 0 109 110 0 # HG3/QD R11 585 1.583 1.622 0 U 0.000e+00 0.00e+00 - 0 109 108 0 # HG3/HG2 R11 586 1.583 1.800 0 U 0.000e+00 0.00e+00 - 0 109 106 0 # HG3/HB2 R11 587 1.583 8.354 0 U 7.888e+03 0.00e+00 e 0 109 113 0 # HG3 R11/H A12 588 1.583 8.392 0 U 6.481e+03 0.00e+00 e 0 109 104 0 # HG3/H R11 589 1.583 1.583 0 U 0.000e+00 0.00e+00 - 0 109 109 0 # HG3/HG3 R11 590 1.583 1.723 0 U 3.399e+05 0.00e+00 e 0 109 107 0 # HG3/HB3 R11 591 0.851 4.374 0 U 6.839e+04 0.00e+00 e 0 57 53 0 # QD2/HA L6 592 0.851 0.912 0 U 1.385e+05 0.00e+00 e 0 57 56 0 # QD2/QD1 L6 593 0.851 1.568 0 U 7.238e+04 0.00e+00 e 0 57 54 0 # QD2/HG L6 594 0.851 8.317 0 U 3.990e+04 0.00e+00 e 0 57 52 0 # QD2/H L6 595 0.851 0.851 0 U 0.000e+00 0.00e+00 - 0 57 57 0 # QD2/QD2 L6 596 0.851 1.611 0 U 2.805e+04 0.00e+00 e 0 57 55 0 # QD2/QB L6 597 1.872 2.010 0 U 6.380e+05 0.00e+00 e 0 21 24 0 # HB3/QG P3 598 1.872 3.738 0 U 2.273e+04 0.00e+00 e 0 21 22 0 # HB3/HD2 P3 599 1.872 0.912 0 U 0.000e+00 0.00e+00 - 0 21 12 0 # HB3 P3/QD1 L2 600 1.872 2.312 0 U 6.550e+05 0.00e+00 e 0 21 20 0 # HB3/HB2 P3 601 1.872 1.589 0 U 0.000e+00 0.00e+00 - 0 21 10 0 # HB3 P3/HG L2 602 1.872 3.610 0 U 2.199e+04 0.00e+00 e 0 21 23 0 # HB3/HD3 P3 603 1.872 0.897 0 U 0.000e+00 0.00e+00 - 0 21 13 0 # HB3 P3/QD2 L2 604 1.872 8.344 0 U 4.546e+03 0.00e+00 e 0 21 30 0 # HB3 P3/H K4 605 1.872 1.872 0 U 0.000e+00 0.00e+00 - 0 21 21 0 # HB3/HB3 P3 606 1.872 1.526 0 U 0.000e+00 0.00e+00 - 0 21 11 0 # HB3 P3/QB L2 607 1.872 4.360 0 U 0.000e+00 0.00e+00 - 0 21 19 0 # HB3/HA P3 608 2.966 1.730 0 U 9.558e+03 0.00e+00 e 0 37 33 0 # QE/HB3 K4 609 2.966 4.215 0 U 8.699e+03 0.00e+00 e 0 37 31 0 # QE/HA K4 610 2.966 1.671 0 U 0.000e+00 0.00e+00 - 0 37 36 0 # QE/QD K4 611 2.966 1.452 0 U 0.000e+00 0.00e+00 - 0 37 34 0 # QE/HG2 K4 612 2.966 1.760 0 U 0.000e+00 0.00e+00 - 0 37 32 0 # QE/HB2 K4 613 2.966 8.344 0 U 0.000e+00 0.00e+00 e 0 37 30 0 # QE/H K4 614 2.966 2.966 0 U 0.000e+00 0.00e+00 - 0 37 37 0 # QE/QE K4 615 2.966 1.367 0 U 0.000e+00 0.00e+00 - 0 37 35 0 # QE/HG3 K4 616 0.892 8.307 0 U 4.268e+04 0.00e+00 e 0 124 96 0 # QG1/H V10 617 0.892 0.907 0 U 0.000e+00 0.00e+00 - 0 124 125 0 # QG1/QG2 V10 619 0.892 8.392 0 U 5.548e+03 0.00e+00 e 0 124 104 0 # QG1 V10/H R11 620 0.892 0.892 0 U 0.000e+00 0.00e+00 - 0 124 124 0 # QG1/QG1 V10 621 0.892 2.013 0 U 3.030e+05 0.00e+00 e 0 124 98 0 # QG1/HB V10 622 1.573 0.861 0 U 0.000e+00 0.00e+00 - 0 120 123 0 # HG/QD2 L13 623 1.573 1.654 0 U 0.000e+00 0.00e+00 - 0 120 121 0 # HG/QB L13 624 1.573 4.272 0 U 3.288e+04 0.00e+00 e 0 120 119 0 # HG/HA L13 625 1.573 0.917 0 U 0.000e+00 0.00e+00 - 0 120 122 0 # HG/QD1 L13 626 1.573 1.573 0 U 0.000e+00 0.00e+00 - 0 120 120 0 # HG/HG L13 627 1.573 8.241 0 U 2.798e+04 0.00e+00 e 0 120 118 0 # HG/H L13 628 0.839 4.124 0 U 3.883e+04 0.00e+00 e 0 48 44 0 # QD1/HA I5 629 0.839 0.852 0 U 0.000e+00 0.00e+00 - 0 48 49 0 # QD1/QG2 I5 630 0.839 1.160 0 U 0.000e+00 0.00e+00 - 0 48 47 0 # QD1/HG13 I5 631 0.839 1.809 0 U 0.000e+00 0.00e+00 - 0 48 45 0 # QD1/HB I5 632 0.839 8.317 0 U 2.845e+04 0.00e+00 e 0 48 52 0 # QD1 I5/H L6 633 0.839 8.120 0 U 8.823e+03 0.00e+00 e 0 48 43 0 # QD1/H I5 634 0.839 0.839 0 U 0.000e+00 0.00e+00 - 0 48 48 0 # QD1/QD1 I5 635 0.839 1.444 0 U 0.000e+00 0.00e+00 - 0 48 46 0 # QD1/HG12 I5 636 1.789 1.557 0 U 0.000e+00 0.00e+00 - 0 64 67 0 # HB2/HG3 R7 637 1.789 8.311 0 U 7.530e+03 0.00e+00 e 0 64 74 0 # HB2 R7/H K8 638 1.789 1.719 0 U 0.000e+00 0.00e+00 - 0 64 65 0 # HB2/HB3 R7 639 1.789 4.296 0 U 0.000e+00 0.00e+00 - 0 64 63 0 # HB2/HA R7 640 1.789 3.169 0 U 0.000e+00 0.00e+00 - 0 64 68 0 # HB2/QD R7 641 1.789 1.618 0 U 0.000e+00 0.00e+00 - 0 64 66 0 # HB2/HG2 R7 642 1.789 1.789 0 U 0.000e+00 0.00e+00 - 0 64 64 0 # HB2/HB2 R7 643 1.789 8.223 0 U 1.625e+04 0.00e+00 e 0 64 62 0 # HB2/H R7 644 1.526 4.192 0 U 9.487e+03 0.00e+00 e 0 11 3 0 # QB L2/HA F1 645 1.526 3.738 0 U 3.554e+04 0.00e+00 e 0 11 22 0 # QB L2/HD2 P3 646 1.526 0.912 0 U 9.999e+04 0.00e+00 e 0 11 12 0 # QB/QD1 L2 647 1.526 2.312 0 U 0.000e+00 0.00e+00 - 0 11 20 0 # QB L2/HB2 P3 648 1.526 1.589 0 U 5.340e+05 0.00e+00 e 0 11 10 0 # QB/HG L2 649 1.526 3.139 0 U 0.000e+00 0.00e+00 - 0 11 4 0 # QB L2/QB F1 650 1.526 3.610 0 U 4.531e+04 0.00e+00 e 0 11 23 0 # QB L2/HD3 P3 651 1.526 0.897 0 U 3.330e+04 0.00e+00 e 0 11 13 0 # QB/QD2 L2 652 1.526 1.872 0 U 0.000e+00 0.00e+00 - 0 11 21 0 # QB L2/HB3 P3 653 1.526 1.526 0 U 0.000e+00 0.00e+00 - 0 11 11 0 # QB/QB L2 654 1.526 4.636 0 U 4.774e+04 0.00e+00 e 0 11 9 0 # QB/HA L2 655 1.161 1.808 0 U 0.000e+00 0.00e+00 - 0 91 89 0 # HG13/HB I9 656 1.161 8.307 0 U 2.220e+03 0.00e+00 e 0 91 96 0 # HG13 I9/H V10 657 1.161 8.253 0 U 1.391e+04 0.00e+00 e 0 91 87 0 # HG13/H I9 658 1.161 0.836 0 U 0.000e+00 0.00e+00 - 0 91 92 0 # HG13/QD1 I9 659 1.161 1.456 0 U 0.000e+00 0.00e+00 - 0 91 90 0 # HG13/HG12 I9 660 1.161 4.141 0 U 1.675e+04 0.00e+00 e 0 91 88 0 # HG13/HA I9 661 1.161 0.843 0 U 0.000e+00 0.00e+00 - 0 91 93 0 # HG13/QG2 I9 662 1.161 1.161 0 U 0.000e+00 0.00e+00 - 0 91 91 0 # HG13/HG13 I9 663 1.723 4.310 0 U 0.000e+00 0.00e+00 - 0 107 105 0 # HB3/HA R11 664 1.723 3.174 0 U 0.000e+00 0.00e+00 - 0 107 110 0 # HB3/QD R11 665 1.723 1.622 0 U 0.000e+00 0.00e+00 - 0 107 108 0 # HB3/HG2 R11 666 1.723 1.800 0 U 1.489e+06 0.00e+00 e 0 107 106 0 # HB3/HB2 R11 667 1.723 8.354 0 U 1.212e+04 0.00e+00 e 0 107 113 0 # HB3 R11/H A12 668 1.723 8.392 0 U 1.674e+04 0.00e+00 e 0 107 104 0 # HB3/H R11 669 1.723 1.583 0 U 0.000e+00 0.00e+00 - 0 107 109 0 # HB3/HG3 R11 670 1.723 1.723 0 U 0.000e+00 0.00e+00 - 0 107 107 0 # HB3/HB3 R11 671 1.611 4.374 0 U 1.789e+04 0.00e+00 e 0 55 53 0 # QB/HA L6 672 1.611 0.912 0 U 0.000e+00 0.00e+00 - 0 55 56 0 # QB/QD1 L6 673 1.611 1.568 0 U 0.000e+00 0.00e+00 - 0 55 54 0 # QB/HG L6 674 1.611 8.317 0 U 1.573e+04 0.00e+00 e 0 55 52 0 # QB/H L6 675 1.611 0.851 0 U 6.776e+04 0.00e+00 e 0 55 57 0 # QB/QD2 L6 676 1.611 1.611 0 U 0.000e+00 0.00e+00 - 0 55 55 0 # QB/QB L6 677 1.611 8.223 0 U 1.105e+04 0.00e+00 e 0 55 62 0 # QB L6/H R7 678 4.360 2.010 0 U 0.000e+00 0.00e+00 - 0 19 24 0 # HA/QG P3 679 4.360 3.738 0 U 8.575e+03 0.00e+00 e 0 19 22 0 # HA/HD2 P3 680 4.360 2.312 0 U 0.000e+00 0.00e+00 - 0 19 20 0 # HA/HB2 P3 681 4.360 8.120 0 U 4.040e+03 0.00e+00 e 0 19 43 0 # HA P3/H I5 682 4.360 3.610 0 U 1.445e+04 0.00e+00 e 0 19 23 0 # HA/HD3 P3 683 4.360 8.344 0 U 9.774e+04 0.00e+00 e 0 19 30 0 # HA P3/H K4 684 4.360 1.872 0 U 0.000e+00 0.00e+00 - 0 19 21 0 # HA/HB3 P3 685 4.360 4.360 0 U 0.000e+00 0.00e+00 - 0 19 19 0 # HA/HA P3 686 1.367 1.730 0 U 3.641e+04 0.00e+00 e 0 35 33 0 # HG3/HB3 K4 687 1.367 4.215 0 U 7.533e+03 0.00e+00 e 0 35 31 0 # HG3/HA K4 688 1.367 3.738 0 U 0.000e+00 0.00e+00 - 0 35 22 0 # HG3 K4/HD2 P3 689 1.367 1.671 0 U 2.732e+04 0.00e+00 e 0 35 36 0 # HG3/QD K4 690 1.367 1.452 0 U 4.587e+05 0.00e+00 e 0 35 34 0 # HG3/HG2 K4 691 1.367 1.760 0 U 8.367e+04 0.00e+00 e 0 35 32 0 # HG3/HB2 K4 692 1.367 8.120 0 U 0.000e+00 0.00e+00 e 0 35 43 0 # HG3 K4/H I5 693 1.367 3.610 0 U 0.000e+00 0.00e+00 0 35 23 0 # HG3 K4/HD3 P3 694 1.367 8.344 0 U 1.428e+04 0.00e+00 e 0 35 30 0 # HG3/H K4 695 1.367 2.966 0 U 2.525e+04 0.00e+00 e 0 35 37 0 # HG3/QE K4 696 1.367 1.367 0 U 0.000e+00 0.00e+00 - 0 35 35 0 # HG3/HG3 K4 697 8.241 0.861 0 U 4.326e+04 0.00e+00 e 0 118 123 0 # H/QD2 L13 698 8.241 1.654 0 U 4.636e+04 0.00e+00 e 0 118 121 0 # H/QB L13 699 8.241 4.272 0 U 4.936e+04 0.00e+00 e 0 118 119 0 # H/HA L13 700 8.241 8.354 0 U 2.538e+03 0.00e+00 e 0 118 113 0 # H L13/H A12 701 8.241 8.392 0 U 0.000e+00 0.00e+00 - 0 118 104 0 # H L13/H R11 702 8.241 1.363 0 U 4.395e+04 0.00e+00 e 0 118 115 0 # H L13/QB A12 703 8.241 0.917 0 U 0.000e+00 0.00e+00 - 0 118 122 0 704 8.241 1.573 0 U 4.457e+04 0.00e+00 e 0 118 120 0 # H/HG L13 705 8.241 8.241 0 U 0.000e+00 0.00e+00 - 0 118 118 0 # H/H L13 706 8.241 4.303 0 U 4.386e+04 0.00e+00 e 0 118 114 0 # H L13/HA A12 707 2.013 8.307 0 U 5.803e+04 0.00e+00 e 0 98 96 0 # HB/H V10 708 2.013 0.907 0 U 2.082e+05 0.00e+00 e 0 98 125 0 # HB/QG2 V10 709 2.013 4.086 0 U 2.806e+04 0.00e+00 e 0 98 97 0 # HB/HA V10 710 2.013 8.392 0 U 1.506e+03 0.00e+00 e 0 98 104 0 # HB V10/H R11 711 2.013 0.892 0 U 2.510e+05 0.00e+00 e 0 98 124 0 # HB/QG1 V10 712 2.013 2.013 0 U 0.000e+00 0.00e+00 - 0 98 98 0 # HB/HB V10 713 4.303 8.354 0 U 2.454e+04 0.00e+00 e 0 114 113 0 # HA/H A12 714 4.303 1.363 0 U 1.765e+05 0.00e+00 e 0 114 115 0 # HA/QB A12 715 4.303 8.241 0 U 2.880e+04 0.00e+00 e 0 114 118 0 # HA A12/H L13 716 4.303 4.303 0 U 0.000e+00 0.00e+00 - 0 114 114 0 # HA/HA A12 717 1.444 4.124 0 U 9.446e+03 0.00e+00 e 0 46 44 0 # HG12/HA I5 718 1.444 0.852 0 U 6.517e+03 0.00e+00 e 0 46 49 0 # HG12/QG2 I5 719 1.444 1.160 0 U 0.000e+00 0.00e+00 - 0 46 47 0 # HG12/HG13 I5 720 1.444 1.809 0 U 3.226e+04 0.00e+00 e 0 46 45 0 # HG12/HB I5 721 1.444 8.317 0 U 0.000e+00 0.00e+00 - 0 46 52 0 # HG12 I5/H L6 722 1.444 8.120 0 U 9.672e+03 0.00e+00 e 0 46 43 0 # HG12/H I5 723 1.444 0.839 0 U 0.000e+00 0.00e+00 - 0 46 48 0 # HG12/QD1 I5 724 1.444 1.444 0 U 0.000e+00 0.00e+00 - 0 46 46 0 # HG12/HG12 I5 725 8.223 4.374 0 U 7.041e+04 0.00e+00 e 0 62 53 0 # H R7/HA L6 726 8.223 1.557 0 U 1.587e+04 0.00e+00 e 0 62 67 0 # H/HG3 R7 727 8.223 8.311 0 U 0.000e+00 0.00e+00 - 0 62 74 0 # H R7/H K8 728 8.223 1.719 0 U 3.528e+04 0.00e+00 e 0 62 65 0 # H/HB3 R7 729 8.223 4.296 0 U 3.833e+04 0.00e+00 e 0 62 63 0 # H/HA R7 730 8.223 8.317 0 U 0.000e+00 0.00e+00 - 0 62 52 0 # H R7/H L6 731 8.223 3.169 0 U 0.000e+00 0.00e+00 - 0 62 68 0 # H/QD R7 732 8.223 8.120 0 U 0.000e+00 0.00e+00 - 0 62 43 0 # H R7/H I5 733 8.223 1.618 0 U 1.416e+04 0.00e+00 e 0 62 66 0 # H/HG2 R7 734 8.223 1.789 0 U 2.606e+04 0.00e+00 e 0 62 64 0 # H/HB2 R7 735 8.223 1.611 0 U 1.141e+04 0.00e+00 e 0 62 55 0 # H R7/QB L6 736 8.223 8.223 0 U 0.000e+00 0.00e+00 - 0 62 62 0 # H/H R7 737 1.402 1.661 0 U 0.000e+00 0.00e+00 - 0 78 80 0 # HG2/QD K8 738 1.402 1.758 0 U 0.000e+00 0.00e+00 - 0 78 76 0 # HG2/HB2 K8 739 1.402 8.253 0 U 0.000e+00 0.00e+00 e 0 78 87 0 # HG2 K8/H I9 740 1.402 8.311 0 U 5.993e+03 0.00e+00 e 0 78 74 0 # HG2/H K8 741 1.402 2.965 0 U 8.010e+03 0.00e+00 e 0 78 81 0 # HG2/QE K8 742 1.402 1.706 0 U 0.000e+00 0.00e+00 - 0 78 77 0 # HG2/HB3 K8 743 1.402 1.332 0 U 8.351e+05 0.00e+00 e 0 78 79 0 # HG2/HG3 K8 744 1.402 4.286 0 U 1.179e+04 0.00e+00 e 0 78 75 0 # HG2/HA K8 745 1.402 1.402 0 U 0.000e+00 0.00e+00 - 0 78 78 0 # HG2/HG2 K8 746 4.636 2.010 0 U 0.000e+00 0.00e+00 - 0 9 24 0 # HA L2/QG P3 747 4.636 3.738 0 U 0.000e+00 0.00e+00 - 0 9 22 0 # HA L2/HD2 P3 748 4.636 0.912 0 U 0.000e+00 0.00e+00 - 0 9 12 0 # HA/QD1 L2 749 4.636 1.589 0 U 0.000e+00 0.00e+00 e 0 9 10 0 # HA/HG L2 750 4.636 3.610 0 U 0.000e+00 0.00e+00 - 0 9 23 0 # HA L2/HD3 P3 751 4.636 0.897 0 U 0.000e+00 0.00e+00 - 0 9 13 0 # HA/QD2 L2 752 4.636 1.526 0 U 0.000e+00 0.00e+00 - 0 9 11 0 # HA/QB L2 753 4.636 4.636 0 U 0.000e+00 0.00e+00 - 0 9 9 0 # HA/HA L2 754 7.235 4.192 0 U 2.234e+04 0.00e+00 e 0 5 3 0 # QD/HA F1 755 7.235 3.738 0 U 4.983e+03 0.00e+00 e 0 5 22 0 # QD F1/HD2 P3 756 7.235 3.139 0 U 3.813e+04 0.00e+00 e 0 5 4 0 # QD/QB F1 757 7.235 7.370 0 U 1.192e+06 0.00e+00 e 0 5 6 0 # QD/QE F1 758 7.235 3.610 0 U 1.272e+03 0.00e+00 e 0 5 23 0 # QD F1/HD3 P3 759 7.235 7.235 0 U 0.000e+00 0.00e+00 - 0 5 5 0 # QD/QD F1 760 7.235 4.637 1 U 0.000e+00 0.00e+00 - 0 0 0 0 761 7.367 4.636 1 U 3.550e+03 0.00e+00 e 0 0 0 0 762 7.235 3.139 1 U 6.557e+03 0.00e+00 e 0 5 4 0 763 7.367 1.524 1 U 0.000e+00 0.00e+00 - 0 6 11 0 768 1.588 7.235 1 U 0.000e+00 0.00e+00 - 0 10 5 0 769 1.523 7.235 1 U 5.914e+03 0.00e+00 e 0 11 5 0 770 0.912 7.235 1 U 1.811e+04 0.00e+00 e 0 56 5 0 772 0.912 7.368 1 U 2.322e+04 0.00e+00 e 0 56 6 0 774 1.524 7.369 1 U 4.602e+03 0.00e+00 e 0 11 6 0 775 1.589 7.370 1 U 0.000e+00 0.00e+00 - 0 10 6 0 776 3.139 4.636 1 U 1.137e+03 0.00e+00 e 0 4 9 0 777 3.738 4.193 1 U 0.000e+00 0.00e+00 e 0 22 3 0 778 3.610 4.193 1 U 0.000e+00 0.00e+00 e 0 23 3 0 779 3.139 3.610 1 U 0.000e+00 0.00e+00 - 0 4 23 0 780 2.010 7.235 1 U 1.290e+03 0.00e+00 e 0 24 5 0 781 2.010 7.369 1 U 5.042e+03 0.00e+00 e 0 24 6 0 782 7.235 2.010 1 U 3.765e+03 0.00e+00 e 0 5 24 0 783 2.010 1.452 1 U 0.000e+00 0.00e+00 e 0 24 34 0 784 2.010 1.367 1 U 8.913e+03 0.00e+00 e 0 24 35 0 785 4.215 3.169 1 U 7.951e+03 0.00e+00 e 0 31 68 0 790 4.085 1.362 1 U 7.689e+03 0.00e+00 e 0 97 115 0 791 0.852 1.870 1 U 0.000e+00 0.00e+00 - 0 0 0 0 792 0.838 1.870 1 U 0.000e+00 0.00e+00 - 0 0 0 0 793 0.852 2.313 1 U 0.000e+00 0.00e+00 - 0 49 20 0 794 0.839 2.314 1 U 0.000e+00 0.00e+00 - 0 48 20 0 795 0.852 3.738 1 U 0.000e+00 0.00e+00 - 0 49 22 0 796 0.839 3.738 1 U 0.000e+00 0.00e+00 - 0 48 22 0 797 0.839 3.610 1 U 0.000e+00 0.00e+00 - 0 48 23 0 798 0.852 3.610 1 U 0.000e+00 0.00e+00 - 0 49 23 0 799 1.568 2.313 1 U 0.000e+00 0.00e+00 - 0 0 0 0 800 1.605 2.313 1 U 0.000e+00 0.00e+00 - 0 0 0 0 801 1.611 1.869 1 U 0.000e+00 0.00e+00 - 0 55 21 0 802 1.606 2.014 1 U 0.000e+00 0.00e+00 - 0 0 0 0 803 1.569 1.870 1 U 0.000e+00 0.00e+00 - 0 54 21 0 804 7.235 0.912 1 U 2.222e+04 0.00e+00 e 0 5 56 0 # edsps 806 7.364 0.912 1 U 3.576e+04 0.00e+00 e 0 6 56 0 809 2.010 8.122 1 U 0.000e+00 0.00e+00 e 0 24 43 0 810 1.871 8.123 1 U 0.000e+00 0.00e+00 e 0 21 43 0 811 1.363 3.174 1 U 0.000e+00 0.00e+00 - 0 115 110 0 812 1.161 3.169 1 U 0.000e+00 0.00e+00 e 0 47 68 0 813 0.893 4.085 1 U 0.000e+00 0.00e+00 - 0 0 0 0 814 0.912 4.087 1 U 0.000e+00 0.00e+00 - 0 0 0 0 815 1.719 8.392 1 U 6.136e+03 0.00e+00 e 0 65 104 0 816 0.892 4.296 1 U 5.983e+04 0.00e+00 e 0 124 63 0 817 0.850 7.235 1 U 0.000e+00 0.00e+00 - 0 57 5 0 818 0.849 7.369 1 U 1.814e+04 0.00e+00 e 0 57 6 0 819 3.139 0.839 1 U 1.340e+04 0.00e+00 e 0 4 48 0 820 3.139 0.839 1 U 1.153e+04 0.00e+00 e 0 4 48 0 821 1.573 4.085 1 U 1.198e+04 0.00e+00 e 0 120 97 0 822 1.654 2.015 1 U 1.170e+04 0.00e+00 e 0 121 98 0 823 1.572 2.014 1 U 0.000e+00 0.00e+00 - 0 120 98 0 824 7.369 4.361 1 U 9.967e+03 0.00e+00 e 0 6 19 0 825 7.237 4.361 1 U 1.135e+04 0.00e+00 e 0 5 19 0 826 7.238 0.850 1 U 4.858e+04 0.00e+00 e 0 5 57 0 827 7.370 0.850 1 U 4.141e+04 0.00e+00 e 0 6 57 0 828 7.369 1.166 1 U 4.480e+03 0.00e+00 e 0 6 47 0 829 7.241 1.166 1 U 2.266e+03 0.00e+00 e 0 5 47 0 830 7.369 1.570 1 U 0.000e+00 0.00e+00 - 0 0 0 0 831 7.238 1.569 1 U 0.000e+00 0.00e+00 - 0 0 0 0 832 1.570 7.371 1 U 8.678e+03 0.00e+00 e 0 54 6 0 833 1.570 7.238 1 U 4.905e+03 0.00e+00 e 0 54 5 0 834 4.360 3.170 1 U 1.368e+04 0.00e+00 e 0 19 68 0 836 2.009 3.174 1 U 0.000e+00 0.00e+00 - 0 98 110 0 837 4.362 8.223 1 U 1.660e+04 0.00e+00 e 0 19 62 0 838 1.570 8.223 1 U 1.038e+04 0.00e+00 e 0 54 62 0 839 8.223 4.125 1 U 4.685e+03 0.00e+00 e 0 62 44 0 840 8.250 3.171 1 U 3.901e+03 0.00e+00 e 0 87 68 0 841 8.222 0.912 1 U 3.718e+04 0.00e+00 e 0 62 56 0 842 8.222 0.849 1 U 4.237e+04 0.00e+00 e 0 62 57 0 843 3.139 0.851 1 U 3.051e+04 0.00e+00 e 0 4 57 0 844 3.138 1.611 1 U 1.247e+04 0.00e+00 e 0 4 55 0 845 7.235 0.911 1 U 5.000e+03 0.00e+00 e 0 5 13 0 846 8.344 4.635 1 U 3.836e+03 0.00e+00 e 0 30 9 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 . . 9.6116 ppm . . . 4.77 . . 34476 1 2 . . H 1 H . . 9.6116 ppm . . . 4.77 . . 34476 1 stop_ save_