data_30408 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30408 _Entry.Title ; peptide PaAMP1R3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-14 _Entry.Accession_date 2018-02-14 _Entry.Last_release_date 2018-03-14 _Entry.Original_release_date 2018-03-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _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' 30408 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 E. Alves E. S.F. . . 30408 2 L. Liao L. M. . . 30408 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 30408 design . 30408 helix . 30408 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30408 spectral_peak_list 4 30408 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 76 30408 '15N chemical shifts' 19 30408 '1H chemical shifts' 150 30408 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-03-01 . original BMRB . 30408 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6CFA . 30408 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30408 _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 ; Synthetic peptide PaAMP1R3 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _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 E. Alves E. S.F. . . 30408 1 2 L. Liao L. M. . . 30408 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30408 _Assembly.ID 1 _Assembly.Name 'peptide PaAMP1R3' _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 'not present' _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 . . . . . . 30408 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30408 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'peptide PaAMP1R3' _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 ; PMARNKKLLKKLRLKIAFK ; _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 19 _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 2305.013 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PRO . 30408 1 2 2 MET . 30408 1 3 3 ALA . 30408 1 4 4 ARG . 30408 1 5 5 ASN . 30408 1 6 6 LYS . 30408 1 7 7 LYS . 30408 1 8 8 LEU . 30408 1 9 9 LEU . 30408 1 10 10 LYS . 30408 1 11 11 LYS . 30408 1 12 12 LEU . 30408 1 13 13 ARG . 30408 1 14 14 LEU . 30408 1 15 15 LYS . 30408 1 16 16 ILE . 30408 1 17 17 ALA . 30408 1 18 18 PHE . 30408 1 19 19 LYS . 30408 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 . PRO 1 1 30408 1 . MET 2 2 30408 1 . ALA 3 3 30408 1 . ARG 4 4 30408 1 . ASN 5 5 30408 1 . LYS 6 6 30408 1 . LYS 7 7 30408 1 . LEU 8 8 30408 1 . LEU 9 9 30408 1 . LYS 10 10 30408 1 . LYS 11 11 30408 1 . LEU 12 12 30408 1 . ARG 13 13 30408 1 . LEU 14 14 30408 1 . LYS 15 15 30408 1 . ILE 16 16 30408 1 . ALA 17 17 30408 1 . PHE 18 18 30408 1 . LYS 19 19 30408 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 30408 _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 . 32630 'synthetic construct' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 30408 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 30408 _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' . . . . . . . . . . . . . . . . 30408 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30408 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM PaAMP1R3, 200 mM [U-98% 13C] DPC-d38, 10 % [U-99% 2H] D2O, 90 % H2O, 5 % 97% DSS, 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 PaAMP1R3 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 30408 1 2 DPC-d38 '[U-98% 13C]' . . . . . . 200 . . mM . . . . 30408 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 30408 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30408 1 5 DSS 'natural abundance' . . . . . . 5 . . % . . . . 30408 1 6 'sodium phosphate buffer' 'natural abundance' . . . . . . 1 . . mM . . . . 30408 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 30408 _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 'ionic strength' 1 . mM 30408 1 pH 7 . pH 30408 1 pressure 1 . atm 30408 1 temperature 298 . K 30408 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30408 _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' . . 30408 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30408 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30408 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30408 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30408 2 'structure calculation' 30408 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30408 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30408 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30408 3 'peak picking' 30408 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30408 _Software.ID 4 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30408 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30408 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 30408 _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 30408 _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 . . . 30408 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 30408 _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 . . . . . . . . . . . . . . . . 30408 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30408 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30408 1 4 '2D 1H-15N HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30408 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 30408 _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 C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . 30408 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 30408 1 N 15 formamide nitrogen . . . . ppm 112.5 external indirect 1.0 . . . . . 30408 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 30408 _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' . . . 30408 1 2 '2D 1H-1H NOESY' . . . 30408 1 3 '2D 1H-13C HSQC' . . . 30408 1 4 '2D 1H-15N HMQC' . . . 30408 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 PRO HA H 1 4.390 . . 1 . . . . A 1 PRO HA . 30408 1 2 . 1 1 1 1 PRO HB2 H 1 2.010 . . 1 . . . . A 1 PRO HB2 . 30408 1 3 . 1 1 1 1 PRO HB3 H 1 2.459 . . 1 . . . . A 1 PRO HB3 . 30408 1 4 . 1 1 1 1 PRO HG2 H 1 2.000 . . 1 . . . . A 1 PRO HG2 . 30408 1 5 . 1 1 1 1 PRO HG3 H 1 2.010 . . 1 . . . . A 1 PRO HG3 . 30408 1 6 . 1 1 1 1 PRO HD2 H 1 3.369 . . 1 . . . . A 1 PRO HD2 . 30408 1 7 . 1 1 1 1 PRO HD3 H 1 3.364 . . 1 . . . . A 1 PRO HD3 . 30408 1 8 . 1 1 1 1 PRO CA C 13 62.130 . . 1 . . . . A 1 PRO CA . 30408 1 9 . 1 1 1 1 PRO CB C 13 32.456 . . 1 . . . . A 1 PRO CB . 30408 1 10 . 1 1 1 1 PRO CG C 13 26.430 . . 1 . . . . A 1 PRO CG . 30408 1 11 . 1 1 1 1 PRO CD C 13 49.395 . . 1 . . . . A 1 PRO CD . 30408 1 12 . 1 1 2 2 MET H H 1 7.791 . . 1 . . . . A 2 MET H . 30408 1 13 . 1 1 2 2 MET HA H 1 4.380 . . 1 . . . . A 2 MET HA . 30408 1 14 . 1 1 2 2 MET HB2 H 1 2.030 . . 1 . . . . A 2 MET HB2 . 30408 1 15 . 1 1 2 2 MET HB3 H 1 2.040 . . 1 . . . . A 2 MET HB3 . 30408 1 16 . 1 1 2 2 MET HG2 H 1 2.612 . . 1 . . . . A 2 MET HG2 . 30408 1 17 . 1 1 2 2 MET HG3 H 1 2.612 . . 1 . . . . A 2 MET HG3 . 30408 1 18 . 1 1 2 2 MET HE1 H 1 2.089 . . 1 . . . . A 2 MET HE1 . 30408 1 19 . 1 1 2 2 MET HE2 H 1 2.089 . . 1 . . . . A 2 MET HE2 . 30408 1 20 . 1 1 2 2 MET HE3 H 1 2.089 . . 1 . . . . A 2 MET HE3 . 30408 1 21 . 1 1 2 2 MET CA C 13 56.330 . . 1 . . . . A 2 MET CA . 30408 1 22 . 1 1 2 2 MET CB C 13 32.520 . . 1 . . . . A 2 MET CB . 30408 1 23 . 1 1 2 2 MET CG C 13 31.908 . . 1 . . . . A 2 MET CG . 30408 1 24 . 1 1 2 2 MET CE C 13 16.926 . . 1 . . . . A 2 MET CE . 30408 1 25 . 1 1 2 2 MET N N 15 118.090 . . 1 . . . . A 2 MET N . 30408 1 26 . 1 1 3 3 ALA H H 1 7.828 . . 1 . . . . A 3 ALA H . 30408 1 27 . 1 1 3 3 ALA HA H 1 4.210 . . 1 . . . . A 3 ALA HA . 30408 1 28 . 1 1 3 3 ALA HB1 H 1 1.410 . . 1 . . . . A 3 ALA HB1 . 30408 1 29 . 1 1 3 3 ALA HB2 H 1 1.376 . . 1 . . . . A 3 ALA HB2 . 30408 1 30 . 1 1 3 3 ALA HB3 H 1 1.376 . . 1 . . . . A 3 ALA HB3 . 30408 1 31 . 1 1 3 3 ALA CA C 13 53.090 . . 1 . . . . A 3 ALA CA . 30408 1 32 . 1 1 3 3 ALA CB C 13 18.932 . . 1 . . . . A 3 ALA CB . 30408 1 33 . 1 1 3 3 ALA N N 15 122.160 . . 1 . . . . A 3 ALA N . 30408 1 34 . 1 1 4 4 ARG H H 1 8.355 . . 1 . . . . A 4 ARG H . 30408 1 35 . 1 1 4 4 ARG HA H 1 4.129 . . 1 . . . . A 4 ARG HA . 30408 1 36 . 1 1 4 4 ARG HB2 H 1 1.867 . . 1 . . . . A 4 ARG HB2 . 30408 1 37 . 1 1 4 4 ARG HB3 H 1 1.840 . . 1 . . . . A 4 ARG HB3 . 30408 1 38 . 1 1 4 4 ARG HG2 H 1 1.679 . . 1 . . . . A 4 ARG HG2 . 30408 1 39 . 1 1 4 4 ARG HG3 H 1 1.689 . . 1 . . . . A 4 ARG HG3 . 30408 1 40 . 1 1 4 4 ARG HD2 H 1 3.180 . . 1 . . . . A 4 ARG HD2 . 30408 1 41 . 1 1 4 4 ARG HD3 H 1 3.180 . . 1 . . . . A 4 ARG HD3 . 30408 1 42 . 1 1 4 4 ARG CA C 13 57.410 . . 1 . . . . A 4 ARG CA . 30408 1 43 . 1 1 4 4 ARG CB C 13 29.880 . . 1 . . . . A 4 ARG CB . 30408 1 44 . 1 1 4 4 ARG CG C 13 29.210 . . 1 . . . . A 4 ARG CG . 30408 1 45 . 1 1 4 4 ARG CD C 13 43.420 . . 1 . . . . A 4 ARG CD . 30408 1 46 . 1 1 4 4 ARG N N 15 118.882 . . 1 . . . . A 4 ARG N . 30408 1 47 . 1 1 5 5 ASN H H 1 8.281 . . 1 . . . . A 5 ASN H . 30408 1 48 . 1 1 5 5 ASN HA H 1 4.560 . . 1 . . . . A 5 ASN HA . 30408 1 49 . 1 1 5 5 ASN HB2 H 1 2.811 . . 1 . . . . A 5 ASN HB2 . 30408 1 50 . 1 1 5 5 ASN HB3 H 1 2.844 . . 1 . . . . A 5 ASN HB3 . 30408 1 51 . 1 1 5 5 ASN HD21 H 1 7.620 . . 1 . . . . A 5 ASN HD21 . 30408 1 52 . 1 1 5 5 ASN HD22 H 1 7.050 . . 1 . . . . A 5 ASN HD22 . 30408 1 53 . 1 1 5 5 ASN CA C 13 54.550 . . 1 . . . . A 5 ASN CA . 30408 1 54 . 1 1 5 5 ASN CB C 13 38.254 . . 1 . . . . A 5 ASN CB . 30408 1 55 . 1 1 5 5 ASN N N 15 118.003 . . 1 . . . . A 5 ASN N . 30408 1 56 . 1 1 5 5 ASN ND2 N 15 113.492 . . 1 . . . . A 5 ASN ND2 . 30408 1 57 . 1 1 6 6 LYS H H 1 8.096 . . 1 . . . . A 6 LYS H . 30408 1 58 . 1 1 6 6 LYS HA H 1 4.027 . . 1 . . . . A 6 LYS HA . 30408 1 59 . 1 1 6 6 LYS HB2 H 1 1.887 . . 1 . . . . A 6 LYS HB2 . 30408 1 60 . 1 1 6 6 LYS HB3 H 1 1.881 . . 1 . . . . A 6 LYS HB3 . 30408 1 61 . 1 1 6 6 LYS HG2 H 1 1.540 . . 1 . . . . A 6 LYS HG2 . 30408 1 62 . 1 1 6 6 LYS HD2 H 1 1.680 . . 1 . . . . A 6 LYS HD2 . 30408 1 63 . 1 1 6 6 LYS HE2 H 1 2.920 . . 1 . . . . A 6 LYS HE2 . 30408 1 64 . 1 1 6 6 LYS HE3 H 1 2.920 . . 1 . . . . A 6 LYS HE3 . 30408 1 65 . 1 1 6 6 LYS CA C 13 58.910 . . 1 . . . . A 6 LYS CA . 30408 1 66 . 1 1 6 6 LYS CB C 13 32.430 . . 1 . . . . A 6 LYS CB . 30408 1 67 . 1 1 6 6 LYS CG C 13 25.102 . . 1 . . . . A 6 LYS CG . 30408 1 68 . 1 1 6 6 LYS CD C 13 29.260 . . 1 . . . . A 6 LYS CD . 30408 1 69 . 1 1 6 6 LYS CE C 13 41.910 . . 1 . . . . A 6 LYS CE . 30408 1 70 . 1 1 6 6 LYS N N 15 118.988 . . 1 . . . . A 6 LYS N . 30408 1 71 . 1 1 7 7 LYS H H 1 8.017 . . 1 . . . . A 7 LYS H . 30408 1 72 . 1 1 7 7 LYS HA H 1 4.070 . . 1 . . . . A 7 LYS HA . 30408 1 73 . 1 1 7 7 LYS HB2 H 1 1.630 . . 1 . . . . A 7 LYS HB2 . 30408 1 74 . 1 1 7 7 LYS HB3 H 1 1.670 . . 1 . . . . A 7 LYS HB3 . 30408 1 75 . 1 1 7 7 LYS HG2 H 1 1.380 . . 1 . . . . A 7 LYS HG2 . 30408 1 76 . 1 1 7 7 LYS HG3 H 1 1.380 . . 1 . . . . A 7 LYS HG3 . 30408 1 77 . 1 1 7 7 LYS HD2 H 1 1.683 . . 1 . . . . A 7 LYS HD2 . 30408 1 78 . 1 1 7 7 LYS HE2 H 1 2.936 . . 1 . . . . A 7 LYS HE2 . 30408 1 79 . 1 1 7 7 LYS HE3 H 1 2.936 . . 1 . . . . A 7 LYS HE3 . 30408 1 80 . 1 1 7 7 LYS CA C 13 57.700 . . 1 . . . . A 7 LYS CA . 30408 1 81 . 1 1 7 7 LYS CB C 13 32.460 . . 1 . . . . A 7 LYS CB . 30408 1 82 . 1 1 7 7 LYS CG C 13 25.100 . . 1 . . . . A 7 LYS CG . 30408 1 83 . 1 1 7 7 LYS CD C 13 29.184 . . 1 . . . . A 7 LYS CD . 30408 1 84 . 1 1 7 7 LYS CE C 13 42.023 . . 1 . . . . A 7 LYS CE . 30408 1 85 . 1 1 7 7 LYS N N 15 119.142 . . 1 . . . . A 7 LYS N . 30408 1 86 . 1 1 8 8 LEU H H 1 7.913 . . 1 . . . . A 8 LEU H . 30408 1 87 . 1 1 8 8 LEU HA H 1 3.991 . . 1 . . . . A 8 LEU HA . 30408 1 88 . 1 1 8 8 LEU HB2 H 1 1.550 . . 1 . . . . A 8 LEU HB2 . 30408 1 89 . 1 1 8 8 LEU HB3 H 1 1.620 . . 1 . . . . A 8 LEU HB3 . 30408 1 90 . 1 1 8 8 LEU HG H 1 1.783 . . 1 . . . . A 8 LEU HG . 30408 1 91 . 1 1 8 8 LEU HD11 H 1 0.936 . . 1 . . . . A 8 LEU HD11 . 30408 1 92 . 1 1 8 8 LEU HD12 H 1 0.935 . . 1 . . . . A 8 LEU HD12 . 30408 1 93 . 1 1 8 8 LEU HD13 H 1 0.935 . . 1 . . . . A 8 LEU HD13 . 30408 1 94 . 1 1 8 8 LEU HD21 H 1 0.887 . . 1 . . . . A 8 LEU HD21 . 30408 1 95 . 1 1 8 8 LEU HD22 H 1 0.884 . . 1 . . . . A 8 LEU HD22 . 30408 1 96 . 1 1 8 8 LEU HD23 H 1 0.884 . . 1 . . . . A 8 LEU HD23 . 30408 1 97 . 1 1 8 8 LEU CA C 13 57.730 . . 1 . . . . A 8 LEU CA . 30408 1 98 . 1 1 8 8 LEU CB C 13 41.500 . . 1 . . . . A 8 LEU CB . 30408 1 99 . 1 1 8 8 LEU CG C 13 26.810 . . 1 . . . . A 8 LEU CG . 30408 1 100 . 1 1 8 8 LEU CD1 C 13 24.800 . . 1 . . . . A 8 LEU CD1 . 30408 1 101 . 1 1 8 8 LEU CD2 C 13 24.820 . . 1 . . . . A 8 LEU CD2 . 30408 1 102 . 1 1 8 8 LEU N N 15 117.989 . . 1 . . . . A 8 LEU N . 30408 1 103 . 1 1 9 9 LEU H H 1 7.825 . . 1 . . . . A 9 LEU H . 30408 1 104 . 1 1 9 9 LEU HA H 1 4.003 . . 1 . . . . A 9 LEU HA . 30408 1 105 . 1 1 9 9 LEU HB2 H 1 1.670 . . 1 . . . . A 9 LEU HB2 . 30408 1 106 . 1 1 9 9 LEU HB3 H 1 1.670 . . 1 . . . . A 9 LEU HB3 . 30408 1 107 . 1 1 9 9 LEU HD11 H 1 0.890 . . 1 . . . . A 9 LEU HD11 . 30408 1 108 . 1 1 9 9 LEU HD12 H 1 0.890 . . 1 . . . . A 9 LEU HD12 . 30408 1 109 . 1 1 9 9 LEU HD13 H 1 0.890 . . 1 . . . . A 9 LEU HD13 . 30408 1 110 . 1 1 9 9 LEU HD21 H 1 0.850 . . 1 . . . . A 9 LEU HD21 . 30408 1 111 . 1 1 9 9 LEU HD22 H 1 0.850 . . 1 . . . . A 9 LEU HD22 . 30408 1 112 . 1 1 9 9 LEU HD23 H 1 0.850 . . 1 . . . . A 9 LEU HD23 . 30408 1 113 . 1 1 9 9 LEU CA C 13 57.800 . . 1 . . . . A 9 LEU CA . 30408 1 114 . 1 1 9 9 LEU CD1 C 13 24.700 . . 1 . . . . A 9 LEU CD1 . 30408 1 115 . 1 1 9 9 LEU CD2 C 13 24.447 . . 1 . . . . A 9 LEU CD2 . 30408 1 116 . 1 1 9 9 LEU N N 15 118.099 . . 1 . . . . A 9 LEU N . 30408 1 117 . 1 1 10 10 LYS H H 1 7.725 . . 1 . . . . A 10 LYS H . 30408 1 118 . 1 1 10 10 LYS HA H 1 4.047 . . 1 . . . . A 10 LYS HA . 30408 1 119 . 1 1 10 10 LYS HB2 H 1 2.003 . . 1 . . . . A 10 LYS HB2 . 30408 1 120 . 1 1 10 10 LYS HB3 H 1 1.995 . . 1 . . . . A 10 LYS HB3 . 30408 1 121 . 1 1 10 10 LYS HG2 H 1 1.440 . . 1 . . . . A 10 LYS HG2 . 30408 1 122 . 1 1 10 10 LYS HD2 H 1 1.639 . . 1 . . . . A 10 LYS HD2 . 30408 1 123 . 1 1 10 10 LYS HE2 H 1 2.921 . . 1 . . . . A 10 LYS HE2 . 30408 1 124 . 1 1 10 10 LYS CA C 13 57.670 . . 1 . . . . A 10 LYS CA . 30408 1 125 . 1 1 10 10 LYS CB C 13 32.489 . . 1 . . . . A 10 LYS CB . 30408 1 126 . 1 1 10 10 LYS CG C 13 25.044 . . 1 . . . . A 10 LYS CG . 30408 1 127 . 1 1 10 10 LYS CD C 13 29.183 . . 1 . . . . A 10 LYS CD . 30408 1 128 . 1 1 10 10 LYS CE C 13 41.886 . . 1 . . . . A 10 LYS CE . 30408 1 129 . 1 1 10 10 LYS N N 15 118.065 . . 1 . . . . A 10 LYS N . 30408 1 130 . 1 1 11 11 LYS H H 1 8.123 . . 1 . . . . A 11 LYS H . 30408 1 131 . 1 1 11 11 LYS HA H 1 3.988 . . 1 . . . . A 11 LYS HA . 30408 1 132 . 1 1 11 11 LYS HB2 H 1 1.900 . . 1 . . . . A 11 LYS HB2 . 30408 1 133 . 1 1 11 11 LYS HD2 H 1 1.700 . . 1 . . . . A 11 LYS HD2 . 30408 1 134 . 1 1 11 11 LYS HD3 H 1 1.700 . . 1 . . . . A 11 LYS HD3 . 30408 1 135 . 1 1 11 11 LYS HE2 H 1 2.920 . . 1 . . . . A 11 LYS HE2 . 30408 1 136 . 1 1 11 11 LYS HE3 H 1 2.920 . . 1 . . . . A 11 LYS HE3 . 30408 1 137 . 1 1 11 11 LYS CA C 13 58.970 . . 1 . . . . A 11 LYS CA . 30408 1 138 . 1 1 11 11 LYS CB C 13 32.300 . . 1 . . . . A 11 LYS CB . 30408 1 139 . 1 1 11 11 LYS CD C 13 29.240 . . 1 . . . . A 11 LYS CD . 30408 1 140 . 1 1 11 11 LYS CE C 13 41.830 . . 1 . . . . A 11 LYS CE . 30408 1 141 . 1 1 11 11 LYS N N 15 118.623 . . 1 . . . . A 11 LYS N . 30408 1 142 . 1 1 12 12 LEU H H 1 7.834 . . 1 . . . . A 12 LEU H . 30408 1 143 . 1 1 12 12 LEU HA H 1 4.077 . . 1 . . . . A 12 LEU HA . 30408 1 144 . 1 1 12 12 LEU HG H 1 1.770 . . 1 . . . . A 12 LEU HG . 30408 1 145 . 1 1 12 12 LEU HD11 H 1 0.950 . . 1 . . . . A 12 LEU HD11 . 30408 1 146 . 1 1 12 12 LEU HD12 H 1 0.950 . . 1 . . . . A 12 LEU HD12 . 30408 1 147 . 1 1 12 12 LEU HD13 H 1 0.950 . . 1 . . . . A 12 LEU HD13 . 30408 1 148 . 1 1 12 12 LEU HD21 H 1 0.900 . . 1 . . . . A 12 LEU HD21 . 30408 1 149 . 1 1 12 12 LEU HD22 H 1 0.900 . . 1 . . . . A 12 LEU HD22 . 30408 1 150 . 1 1 12 12 LEU HD23 H 1 0.900 . . 1 . . . . A 12 LEU HD23 . 30408 1 151 . 1 1 12 12 LEU CA C 13 57.684 . . 1 . . . . A 12 LEU CA . 30408 1 152 . 1 1 12 12 LEU CG C 13 27.070 . . 1 . . . . A 12 LEU CG . 30408 1 153 . 1 1 12 12 LEU CD1 C 13 24.630 . . 1 . . . . A 12 LEU CD1 . 30408 1 154 . 1 1 12 12 LEU CD2 C 13 24.340 . . 1 . . . . A 12 LEU CD2 . 30408 1 155 . 1 1 12 12 LEU N N 15 118.073 . . 1 . . . . A 12 LEU N . 30408 1 156 . 1 1 13 13 ARG H H 1 8.142 . . 1 . . . . A 13 ARG H . 30408 1 157 . 1 1 13 13 ARG HA H 1 3.941 . . 1 . . . . A 13 ARG HA . 30408 1 158 . 1 1 13 13 ARG HB2 H 1 1.903 . . 1 . . . . A 13 ARG HB2 . 30408 1 159 . 1 1 13 13 ARG HB3 H 1 1.980 . . 1 . . . . A 13 ARG HB3 . 30408 1 160 . 1 1 13 13 ARG HG3 H 1 1.670 . . 1 . . . . A 13 ARG HG3 . 30408 1 161 . 1 1 13 13 ARG HD2 H 1 3.160 . . 1 . . . . A 13 ARG HD2 . 30408 1 162 . 1 1 13 13 ARG HD3 H 1 3.142 . . 1 . . . . A 13 ARG HD3 . 30408 1 163 . 1 1 13 13 ARG CA C 13 58.950 . . 1 . . . . A 13 ARG CA . 30408 1 164 . 1 1 13 13 ARG CB C 13 32.434 . . 1 . . . . A 13 ARG CB . 30408 1 165 . 1 1 13 13 ARG CG C 13 29.200 . . 1 . . . . A 13 ARG CG . 30408 1 166 . 1 1 13 13 ARG CD C 13 43.535 . . 1 . . . . A 13 ARG CD . 30408 1 167 . 1 1 13 13 ARG N N 15 117.790 . . 1 . . . . A 13 ARG N . 30408 1 168 . 1 1 14 14 LEU H H 1 7.680 . . 1 . . . . A 14 LEU H . 30408 1 169 . 1 1 14 14 LEU HA H 1 4.189 . . 1 . . . . A 14 LEU HA . 30408 1 170 . 1 1 14 14 LEU HB2 H 1 1.590 . . 1 . . . . A 14 LEU HB2 . 30408 1 171 . 1 1 14 14 LEU HB3 H 1 1.510 . . 1 . . . . A 14 LEU HB3 . 30408 1 172 . 1 1 14 14 LEU HG H 1 1.780 . . 1 . . . . A 14 LEU HG . 30408 1 173 . 1 1 14 14 LEU HD11 H 1 0.914 . . 1 . . . . A 14 LEU HD11 . 30408 1 174 . 1 1 14 14 LEU HD12 H 1 0.914 . . 1 . . . . A 14 LEU HD12 . 30408 1 175 . 1 1 14 14 LEU HD13 H 1 0.914 . . 1 . . . . A 14 LEU HD13 . 30408 1 176 . 1 1 14 14 LEU HD21 H 1 0.878 . . 1 . . . . A 14 LEU HD21 . 30408 1 177 . 1 1 14 14 LEU HD22 H 1 0.878 . . 1 . . . . A 14 LEU HD22 . 30408 1 178 . 1 1 14 14 LEU HD23 H 1 0.878 . . 1 . . . . A 14 LEU HD23 . 30408 1 179 . 1 1 14 14 LEU CA C 13 56.600 . . 1 . . . . A 14 LEU CA . 30408 1 180 . 1 1 14 14 LEU CB C 13 41.760 . . 1 . . . . A 14 LEU CB . 30408 1 181 . 1 1 14 14 LEU CG C 13 26.843 . . 1 . . . . A 14 LEU CG . 30408 1 182 . 1 1 14 14 LEU CD1 C 13 25.160 . . 1 . . . . A 14 LEU CD1 . 30408 1 183 . 1 1 14 14 LEU CD2 C 13 24.210 . . 1 . . . . A 14 LEU CD2 . 30408 1 184 . 1 1 14 14 LEU N N 15 117.936 . . 1 . . . . A 14 LEU N . 30408 1 185 . 1 1 15 15 LYS H H 1 7.815 . . 1 . . . . A 15 LYS H . 30408 1 186 . 1 1 15 15 LYS HA H 1 3.953 . . 1 . . . . A 15 LYS HA . 30408 1 187 . 1 1 15 15 LYS HE2 H 1 2.950 . . 1 . . . . A 15 LYS HE2 . 30408 1 188 . 1 1 15 15 LYS HE3 H 1 2.950 . . 1 . . . . A 15 LYS HE3 . 30408 1 189 . 1 1 15 15 LYS CA C 13 57.670 . . 1 . . . . A 15 LYS CA . 30408 1 190 . 1 1 15 15 LYS CE C 13 42.061 . . 1 . . . . A 15 LYS CE . 30408 1 191 . 1 1 15 15 LYS N N 15 118.083 . . 1 . . . . A 15 LYS N . 30408 1 192 . 1 1 16 16 ILE H H 1 7.558 . . 1 . . . . A 16 ILE H . 30408 1 193 . 1 1 16 16 ILE HA H 1 4.054 . . 1 . . . . A 16 ILE HA . 30408 1 194 . 1 1 16 16 ILE HB H 1 1.922 . . 1 . . . . A 16 ILE HB . 30408 1 195 . 1 1 16 16 ILE HG12 H 1 1.201 . . 1 . . . . A 16 ILE HG12 . 30408 1 196 . 1 1 16 16 ILE HG13 H 1 1.520 . . 1 . . . . A 16 ILE HG13 . 30408 1 197 . 1 1 16 16 ILE HG21 H 1 0.792 . . 1 . . . . A 16 ILE HG21 . 30408 1 198 . 1 1 16 16 ILE HG22 H 1 0.792 . . 1 . . . . A 16 ILE HG22 . 30408 1 199 . 1 1 16 16 ILE HG23 H 1 0.792 . . 1 . . . . A 16 ILE HG23 . 30408 1 200 . 1 1 16 16 ILE HD11 H 1 0.800 . . 1 . . . . A 16 ILE HD11 . 30408 1 201 . 1 1 16 16 ILE HD12 H 1 0.800 . . 1 . . . . A 16 ILE HD12 . 30408 1 202 . 1 1 16 16 ILE HD13 H 1 0.800 . . 1 . . . . A 16 ILE HD13 . 30408 1 203 . 1 1 16 16 ILE CA C 13 61.020 . . 1 . . . . A 16 ILE CA . 30408 1 204 . 1 1 16 16 ILE CB C 13 38.206 . . 1 . . . . A 16 ILE CB . 30408 1 205 . 1 1 16 16 ILE CG1 C 13 25.264 . . 1 . . . . A 16 ILE CG1 . 30408 1 206 . 1 1 16 16 ILE CG2 C 13 17.883 . . 1 . . . . A 16 ILE CG2 . 30408 1 207 . 1 1 16 16 ILE CD1 C 13 13.799 . . 1 . . . . A 16 ILE CD1 . 30408 1 208 . 1 1 16 16 ILE N N 15 116.559 . . 1 . . . . A 16 ILE N . 30408 1 209 . 1 1 17 17 ALA H H 1 7.613 . . 1 . . . . A 17 ALA H . 30408 1 210 . 1 1 17 17 ALA HA H 1 4.320 . . 1 . . . . A 17 ALA HA . 30408 1 211 . 1 1 17 17 ALA HB1 H 1 1.314 . . 1 . . . . A 17 ALA HB1 . 30408 1 212 . 1 1 17 17 ALA HB2 H 1 1.314 . . 1 . . . . A 17 ALA HB2 . 30408 1 213 . 1 1 17 17 ALA HB3 H 1 1.314 . . 1 . . . . A 17 ALA HB3 . 30408 1 214 . 1 1 17 17 ALA CA C 13 51.830 . . 1 . . . . A 17 ALA CA . 30408 1 215 . 1 1 17 17 ALA CB C 13 19.500 . . 1 . . . . A 17 ALA CB . 30408 1 216 . 1 1 17 17 ALA N N 15 121.093 . . 1 . . . . A 17 ALA N . 30408 1 217 . 1 1 18 18 PHE H H 1 8.196 . . 1 . . . . A 18 PHE H . 30408 1 218 . 1 1 18 18 PHE HA H 1 4.570 . . 1 . . . . A 18 PHE HA . 30408 1 219 . 1 1 18 18 PHE HB2 H 1 3.001 . . 1 . . . . A 18 PHE HB2 . 30408 1 220 . 1 1 18 18 PHE HB3 H 1 3.203 . . 1 . . . . A 18 PHE HB3 . 30408 1 221 . 1 1 18 18 PHE HD1 H 1 7.312 . . 1 . . . . A 18 PHE HD1 . 30408 1 222 . 1 1 18 18 PHE HD2 H 1 7.322 . . 1 . . . . A 18 PHE HD2 . 30408 1 223 . 1 1 18 18 PHE HE1 H 1 7.282 . . 1 . . . . A 18 PHE HE1 . 30408 1 224 . 1 1 18 18 PHE HE2 H 1 7.284 . . 1 . . . . A 18 PHE HE2 . 30408 1 225 . 1 1 18 18 PHE HZ H 1 7.171 . . 1 . . . . A 18 PHE HZ . 30408 1 226 . 1 1 18 18 PHE CA C 13 57.774 . . 1 . . . . A 18 PHE CA . 30408 1 227 . 1 1 18 18 PHE CB C 13 39.395 . . 1 . . . . A 18 PHE CB . 30408 1 228 . 1 1 18 18 PHE CD1 C 13 132.002 . . 1 . . . . A 18 PHE CD1 . 30408 1 229 . 1 1 18 18 PHE CD2 C 13 132.095 . . 1 . . . . A 18 PHE CD2 . 30408 1 230 . 1 1 18 18 PHE CE1 C 13 130.836 . . 1 . . . . A 18 PHE CE1 . 30408 1 231 . 1 1 18 18 PHE CE2 C 13 130.874 . . 1 . . . . A 18 PHE CE2 . 30408 1 232 . 1 1 18 18 PHE CZ C 13 129.024 . . 1 . . . . A 18 PHE CZ . 30408 1 233 . 1 1 18 18 PHE N N 15 118.683 . . 1 . . . . A 18 PHE N . 30408 1 234 . 1 1 19 19 LYS H H 1 7.832 . . 1 . . . . A 19 LYS H . 30408 1 235 . 1 1 19 19 LYS HA H 1 4.180 . . 1 . . . . A 19 LYS HA . 30408 1 236 . 1 1 19 19 LYS HB3 H 1 1.928 . . 1 . . . . A 19 LYS HB3 . 30408 1 237 . 1 1 19 19 LYS HG3 H 1 1.540 . . 1 . . . . A 19 LYS HG3 . 30408 1 238 . 1 1 19 19 LYS HD3 H 1 1.678 . . 1 . . . . A 19 LYS HD3 . 30408 1 239 . 1 1 19 19 LYS HE2 H 1 2.960 . . 1 . . . . A 19 LYS HE2 . 30408 1 240 . 1 1 19 19 LYS HE3 H 1 2.960 . . 1 . . . . A 19 LYS HE3 . 30408 1 241 . 1 1 19 19 LYS CA C 13 61.230 . . 1 . . . . A 19 LYS CA . 30408 1 242 . 1 1 19 19 LYS CB C 13 32.420 . . 1 . . . . A 19 LYS CB . 30408 1 243 . 1 1 19 19 LYS CG C 13 25.260 . . 1 . . . . A 19 LYS CG . 30408 1 244 . 1 1 19 19 LYS CE C 13 41.995 . . 1 . . . . A 19 LYS CE . 30408 1 245 . 1 1 19 19 LYS N N 15 118.084 . . 1 . . . . A 19 LYS N . 30408 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 30408 _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 1 _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 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 ; 0 {13.HN} 8.14248 0.03141 0.04468 ++ {0.0} {} {13.HA} 3.95168 0.08866 0.18902 ++ {0.0} {} 0.0 3.2559 0 {} 0 1 {5.HN} 8.28385 0.03011 0.04983 ++ {0.0} {} {5.HA} 4.56031 0.08386 0.07116 ++ {0.0} {} 0.0 4.1837 0 {} 0 2 {9.HN} 7.82547 0.03518 0.05403 ++ {0.0} {} {9.HA} 4.00349 0.04494 0.13314 ++ {0.0} {} 0.0 1.9641 0 {} 0 3 {18.HN} 8.19641 0.02965 0.06445 ++ {0.0} {} {18.HA} 4.58483 0.10073 0.22978 ++ {0.0} {} 0.0 31.5997 0 {} 0 4 {11.HN} 8.12170 0.03903 0.05210 ++ {0.0} {} {11.HA} 3.98762 0.09464 0.21611 ++ {0.0} {} 0.0 7.5589 0 {} 0 5 {4.HN} 8.35502 0.03903 0.05268 ++ {0.0} {} {4.HA} 4.13066 0.09464 0.15468 ++ {0.0} {} 0.0 7.5589 0 {} 0 6 {6.HN} 8.09459 0.02888 0.05752 ++ {0.0} {} {6.HA} 4.00807 0.09326 0.19195 ++ {0.0} {} 0.0 6.8212 0 {} 0 7 {7.HN} 8.01837 0.03383 0.05809 ++ {0.0} {} {7.HA} 4.07071 0.06199 0.15558 ++ {0.0} {} 0.0 4.7950 0 {} 0 8 {2.HN} 7.75253 0.03089 0.04633 ++ {0.0} {} {2.HA} 4.37817 0.08976 0.22664 ++ {0.0} {} 0.0 6.6435 0 {} 0 9 {19.HN} 7.82839 0.02910 0.04974 ++ {0.0} {} {19.HA} 4.19191 0.05927 0.13089 ++ {0.0} {} 0.0 8.5993 0 {} 0 10 {3.HN} 7.82420 0.03716 0.07688 ++ {0.0} {} {3.HA} 4.23309 0.06693 0.16210 ++ {0.0} {} 0.0 58.9613 0 {} 0 11 {10.HN} 7.72853 0.03501 0.07181 ++ {0.0} {} {10.HA} 4.04280 0.07933 0.17427 ++ {0.0} {} 0.0 9.4811 0 {} 0 12 {1.HN} 7.75288 0.02646 0.05139 ++ {0.0} {} {1.HA} 4.40363 0.07823 0.14948 ++ {0.0} {} 0.0 5.0279 0 {} 0 13 {8.HN} 7.91548 0.02788 0.05197 ++ {0.0} {} {8.HA} 3.99084 0.07696 0.17159 ++ {0.0} {} 0.0 4.4939 0 {} 0 14 {14.HN} 7.66615 0.02935 0.05876 ++ {0.0} {} {14.HA} 4.19213 0.07904 0.19390 ++ {0.0} {} 0.0 9.2981 0 {} 0 15 {17.HN} 7.61415 0.03224 0.05887 ++ {0.0} {} {17.HA} 4.32336 0.09765 0.20755 ++ {0.0} {} 0.0 9.2277 0 {} 0 16 {16.HN} 7.55967 0.03821 0.06747 ++ {0.0} {} {16.HA} 4.06023 0.06894 0.15766 ++ {0.0} {} 0.0 14.3130 0 {} 0 17 {} 7.55925 0.03821 0.05625 ++ {0.0} {} {} 4.03301 0.06894 0.11812 ++ {0.0} {} 0.0 14.3130 -1 {} 0 18 {2.HG1} 2.95644 0.07450 0.06561 ++ {0.0} {} {2.HA} 4.05148 0.15229 0.18172 ++ {0.0} {} 0.0 17.5320 -1 {} 0 19 {2.HN} 7.82854 0.02186 0.02944 ++ {0.0} {} {2.HG1} 2.94889 0.07735 0.10887 ++ {0.0} {} 0.0 5.1632 -1 {} 0 20 {15.HN} 7.81521 0.03089 0.05872 ++ {0.0} {} {15.HA} 3.95294 0.12345 0.18775 ++ {0.0} {} 0.0 6.6435 0 {} 0 21 {5.HN} 8.27837 0.02966 0.03324 ++ {0.0} {} {5.HB2} 2.80495 0.12401 0.14856 ++ {0.0} {} 0.0 2.2749 0 {} 0 22 {5.HB1} 2.84352 0.06865 0.08119 ++ {0.0} {} {5.HA} 4.56852 0.08550 0.11812 ++ {0.0} {} 0.0 3.1662 0 {} 0 23 {5.HB2} 2.81729 0.06865 0.08119 ++ {0.0} {} {5.HA} 4.56852 0.08550 0.11812 ++ {0.0} {} 0.0 3.1662 0 {} 0 24 {18.HN} 8.19617 0.03710 0.06251 ++ {0.0} {} {18.HB1} 3.20032 0.10800 0.23153 ++ {0.0} {} 0.0 19.9183 0 {} 0 25 {18.HN} 8.19644 0.02970 0.05805 ++ {0.0} {} {18.HB2} 2.99778 0.07480 0.18775 ++ {0.0} {} 0.0 22.9021 0 {} 0 26 {18.HB1} 3.20514 0.02661 0.06194 ++ {0.0} {} {18.HA} 4.59041 0.09239 0.24648 ++ {0.0} {} 0.0 19.1358 0 {} 0 27 {18.HB2} 3.00407 0.04422 0.07359 ++ {0.0} {} {18.HA} 4.57402 0.09938 0.21820 ++ {0.0} {} 0.0 14.9254 0 {} 0 28 {16.HN} 7.55745 0.04257 0.05848 ++ {0.0} {} {16.HB} 1.92222 0.06996 0.11353 ++ {0.0} {} 0.0 4.1539 0 {} 0 29 {16.HN} 7.55594 0.01333 0.01904 ++ {0.0} {} {16.HG12} 1.21057 0.08427 0.13097 ++ {0.0} {} 0.0 1.1486 0 {} 0 30 {16.HN} 7.55729 0.03525 0.05950 ++ {0.0} {} {16.HD11} 0.79318 0.06840 0.12512 ++ {0.0} {} 0.0 9.1777 0 {} 0 31 {6.HB2} 1.90144 0.06854 0.08041 ++ {0.0} {} {6.HA} 4.06267 0.14549 0.24633 ++ {0.0} {} 0.0 17.1043 0 {} 0 32 {} 2.93977 0.07450 0.09238 ++ {0.0} {} {} 4.01299 0.15229 0.23507 ++ {0.0} {} 0.0 17.5320 0 {} 0 33 {16.HN} 7.55936 0.03525 0.05950 ++ {0.0} {} {16.HG21} 0.79318 0.06840 0.12512 ++ {0.0} {} 0.0 9.1777 -1 {} 0 34 {16.HG21} 0.79015 0.03605 0.04550 ++ {0.0} {} {16.HA} 4.03285 0.07062 0.17020 ++ {0.0} {} 0.0 27.1879 0 {} 0 35 {16.HD11} 0.80587 0.03605 0.05103 ++ {0.0} {} {16.HA} 4.03267 0.07062 0.16946 ++ {0.0} {} 0.0 27.1879 0 {} 0 36 {16.HG12} 1.19187 0.01170 0.01501 ++ {0.0} {} {16.HA} 4.05216 0.06560 0.09800 ++ {0.0} {} 0.0 6.0457 0 {} 0 37 {2.HG2} 2.61172 0.03593 0.06069 ++ {0.0} {} {2.HA} 4.38302 0.08656 0.19951 ++ {0.0} {} 0.0 23.9830 0 {} 0 38 {1.HB2} 2.46185 0.04311 0.05205 ++ {0.0} {} {1.HA} 4.40364 0.06723 0.08268 ++ {0.0} {} 0.0 6.2075 0 {} 0 39 {1.HG2} 2.02836 0.06052 0.11807 ++ {0.0} {} {1.HA} 4.39591 0.07953 0.19035 ++ {0.0} {} 0.0 28.3391 0 {} 0 40 {1.HG1} 2.07409 0.06052 0.11807 ++ {0.0} {} {1.HA} 4.40999 0.07953 0.19035 ++ {0.0} {} 0.0 28.3391 0 {} 0 41 {1.HD1} 3.36443 0.03477 0.05360 ++ {0.0} {} {1.HA} 4.40366 0.06871 0.11272 ++ {0.0} {} 0.0 13.2945 0 {} 0 42 {17.HN} 7.61184 0.03229 0.09891 ++ {0.0} {} {17.HB1} 1.30273 0.09974 0.23283 ++ {0.0} {} 0.0 49.1973 0 {} 0 43 {3.HN} 7.83216 0.03744 0.06251 ++ {0.0} {} {3.HB1} 1.32998 0.08137 0.22217 ++ {0.0} {} 0.0 25.8527 0 {} 0 44 {17.HB1} 1.32601 0.02943 0.05280 ++ {0.0} {} {17.HA} 4.32257 0.10249 0.23277 ++ {0.0} {} 0.0 92.0924 0 {} 0 45 {3.HB1} 1.42261 0.03389 0.08255 ++ {0.0} {} {3.HA} 4.23722 0.07119 0.20899 ++ {0.0} {} 0.0 17.1318 0 {} 0 46 {4.HD2} 3.17716 0.05132 0.07675 ++ {0.0} {} {4.HB2} 1.87893 0.08156 0.21318 ++ {0.0} {} 0.0 10.2106 0 {} 0 47 {4.HD1} 3.17258 0.04707 0.07174 ++ {0.0} {} {4.HG1} 1.72140 0.13143 0.18775 ++ {0.0} {} 0.0 10.5649 0 {} 0 48 {} 3.18169 0.04038 0.06243 ++ {0.0} {} {} 1.58651 0.13143 0.18775 ++ {0.0} {} 0.0 10.4495 0 {} 0 49 {13.HD2} 3.15586 0.05862 0.07061 ++ {0.0} {} {13.HB1} 2.00280 0.13143 0.18667 ++ {0.0} {} 0.0 43.4920 0 {} 0 50 {13.HD2} 3.15587 0.05862 0.07059 ++ {0.0} {} {13.HB2} 1.88956 0.13143 0.17474 ++ {0.0} {} 0.0 43.4920 0 {} 0 51 {4.HD1} 3.14230 0.05862 0.07059 ++ {0.0} {} {4.HG1} 1.72865 0.13143 0.13898 ++ {0.0} {} 0.0 43.4920 0 {} 0 52 {13.HD2} 3.15788 0.04960 0.06081 ++ {0.0} {} {13.HA} 3.93516 0.07515 0.10455 ++ {0.0} {} 0.0 5.0261 0 {} 0 53 {4.HD1} 3.18601 0.03048 0.06315 ++ {0.0} {} {4.HA} 4.14281 0.05986 0.18549 ++ {0.0} {} 0.0 3.6057 0 {} 0 54 {4.HN} 8.35447 0.04009 0.05757 ++ {0.0} {} {4.HD1} 2.85611 0.06769 0.13348 ++ {0.0} {} 0.0 2.7741 0 {} 0 55 {} 7.83023 0.02171 0.02159 ++ {0.0} {} {} 3.23677 0.11362 0.11257 ++ {0.0} {} 0.0 -0.9935 -1 {} 0 56 {4.HN} 8.35618 0.00846 0.05453 ++ {0.0} {} {4.HB1} 1.82109 0.08587 0.30370 ++ {0.0} {} 0.0 0.8086 0 {} 0 57 {13.HN} 8.14075 0.01796 0.01791 ++ {0.0} {} {13.HD1} 3.12517 0.10433 0.10397 ++ {0.0} {} 0.0 0.7993 0 {} 0 58 {13.HN} 8.14137 0.02070 0.02478 ++ {0.0} {} {13.HB2} 1.89939 0.20030 0.14447 ++ {0.0} {} 0.0 0.7687 0 {} 0 59 {13.HN} 8.14252 0.02070 0.02019 ++ {0.0} {} {13.HB1} 1.96038 0.20030 0.11617 ++ {0.0} {} 0.0 0.7687 0 {} 0 60 {16.HN} 7.55617 0.03318 0.02795 ++ {0.0} {} {16.HG11} 1.51930 0.06962 0.07595 ++ {0.0} {} 0.0 11.9131 0 {} 0 61 {11.HN} 8.12411 0.02788 0.04945 ++ {0.0} {} {11.HE1} 2.90884 0.07696 0.15260 ++ {0.0} {} 0.0 4.4939 0 {} 0 62 {5.HD21} 9.01813 0.01960 0.02391 ++ {0.0} {} {5.HD22} 8.20981 0.08403 0.10268 ++ {0.0} {} 0.0 0.8247 0 {} 0 63 {10.HN} 7.72457 0.03112 0.03380 ++ {0.0} {} {10.HB1} 1.99456 0.09550 0.10848 ++ {0.0} {} 0.0 2.2660 0 {} 0 64 {11.HN} 8.12466 0.00675 0.02217 ++ {0.0} {} {11.HB2} 1.79526 0.11175 0.21801 ++ {0.0} {} 0.0 0.9751 0 {} 0 65 {7.HN} 8.01945 0.02788 0.02547 ++ {0.0} {} {7.HB1} 1.81109 0.09147 0.14788 ++ {0.0} {} 0.0 1.4653 0 {} 0 66 {6.HN} 8.09660 0.00945 0.02891 ++ {0.0} {} {6.HB2} 1.87248 0.06563 0.09376 ++ {0.0} {} 0.0 1.1093 0 {} 0 67 {8.HN} 7.91351 0.02324 0.02203 ++ {0.0} {} {8.HG} 1.78331 0.05753 0.11679 ++ {0.0} {} 0.0 1.2408 0 {} 0 68 {14.HN} 7.66688 0.03754 0.06688 ++ {0.0} {} {14.HG} 1.81329 0.09147 0.15024 ++ {0.0} {} 0.0 3.1537 0 {} 0 69 {14.HN} 7.65421 0.02186 0.02337 ++ {0.0} {} {14.HB2} 1.57617 0.06202 0.12153 ++ {0.0} {} 0.0 1.1745 0 {} 0 70 {10.HN} 7.72742 0.00784 0.02014 ++ {0.0} {} {10.HD2} 1.63865 0.08103 0.08315 ++ {0.0} {} 0.0 0.8579 0 {} 0 71 {10.HN} 7.72934 0.00433 0.01802 ++ {0.0} {} {10.HG2} 1.44025 0.07696 0.05320 ++ {0.0} {} 0.0 0.8241 0 {} 0 72 {1.HB2} 2.46094 0.03750 0.08599 ++ {0.0} {} {1.HD2} 3.36929 0.07172 0.11947 ++ {0.0} {} 0.0 14.3011 0 {} 0 73 {1.HG2} 2.02300 0.05632 0.12765 ++ {0.0} {} {1.HD2} 3.36952 0.07334 0.21255 ++ {0.0} {} 0.0 53.9202 0 {} 0 74 {4.HB2} 1.85187 0.05099 0.07284 ++ {0.0} {} {4.HA} 4.12417 0.11116 0.09743 ++ {0.0} {} 0.0 4.2553 0 {} 0 75 {10.HB2} 1.99882 0.00821 0.01173 ++ {0.0} {} {10.HE2} 2.90965 0.06629 0.04534 ++ {0.0} {} 0.0 3.6327 0 {} 0 76 {11.HB2} 1.89986 0.07133 0.14472 ++ {0.0} {} {11.HE2} 2.94163 0.09203 0.21600 ++ {0.0} {} 0.0 27.7686 0 {} 0 77 {4.HB2} 1.86207 0.06197 0.08630 ++ {0.0} {} {4.HD2} 3.18469 0.08125 0.12027 ++ {0.0} {} 0.0 9.1968 0 {} 0 78 {} 1.78270 0.03012 0.04303 ++ {0.0} {} {} 2.95226 0.11796 0.22003 ++ {0.0} {} 0.0 24.3968 0 {} 0 79 {7.HD2} 1.67382 0.08945 0.20731 ++ {0.0} {} {7.HE2} 2.94188 0.09696 0.24522 ++ {0.0} {} 0.0 182.5345 0 {} 0 80 {19.HG1} 1.55040 0.07393 0.10561 ++ {0.0} {} {19.HE1} 2.94002 0.09287 0.22329 ++ {0.0} {} 0.0 45.8317 0 {} 0 81 {7.HG1} 1.41851 0.05202 0.07432 ++ {0.0} {} {7.HE1} 2.94505 0.09138 0.21536 ++ {0.0} {} 0.0 33.2549 0 {} 0 82 {7.HG1} 1.34441 0.05224 0.10268 ++ {0.0} {} {7.HE1} 2.95228 0.07775 0.20685 ++ {0.0} {} 0.0 71.3699 0 {} 0 83 {4.HG1} 1.72239 0.05067 0.10454 ++ {0.0} {} {4.HD1} 3.15285 0.08121 0.10902 ++ {0.0} {} 0.0 7.2708 0 {} 0 84 {4.HG1} 1.71357 0.12703 0.13412 ++ {0.0} {} {4.HD1} 3.19780 0.06152 0.09467 ++ {0.0} {} 0.0 10.3675 0 {} 0 85 {2.HE1} 2.08916 0.05067 0.06567 ++ {0.0} {} {2.HA} 4.37892 0.08121 0.10902 ++ {0.0} {} 0.0 7.2708 0 {} 0 86 {13.HB2} 1.90580 0.05466 0.08996 ++ {0.0} {} {13.HA} 3.93856 0.19032 0.30626 ++ {0.0} {} 0.0 15.5378 0 {} 0 87 {4.HG2} 1.67862 0.08317 0.14472 ++ {0.0} {} {4.HA} 4.12251 0.20651 0.37280 ++ {0.0} {} 0.0 23.5347 0 {} 0 88 {7.HG2} 1.46095 0.07940 0.03834 ++ {0.0} {} {7.HA} 4.05610 0.16645 0.12139 ++ {0.0} {} 0.0 6.1868 0 {} 0 89 {4.HB2} 1.88262 0.07030 0.07787 ++ {0.0} {} {4.HA} 4.12488 0.16638 0.17463 ++ {0.0} {} 0.0 5.2722 0 {} 0 90 {} 1.13322 0.01999 0.02985 ++ {0.0} {} {} 3.61960 0.07065 0.11936 ++ {0.0} {} 0.0 15.3934 0 {} 0 91 {} 1.16133 0.01670 0.02381 ++ {0.0} {} {} 3.61819 0.07197 0.11807 ++ {0.0} {} 0.0 13.3004 0 {} 0 92 {12.HD21} 0.90670 0.01369 0.01956 ++ {0.0} {} {12.HA} 4.07627 0.08824 0.08861 ++ {0.0} {} 0.0 4.8010 0 {} 0 93 {} 1.21322 0.02180 0.02647 ++ {0.0} {} {} 3.83108 0.15707 0.18904 ++ {0.0} {} 0.0 7.0857 0 {} 0 94 {16.HG11} 1.34634 0.01170 0.07017 ++ {0.0} {} {16.HA} 4.07245 0.06560 0.17807 ++ {0.0} {} 0.0 6.0457 0 {} 0 95 {12.HD11} 0.95996 0.02261 0.02476 ++ {0.0} {} {12.HA} 4.07181 0.10259 0.11418 ++ {0.0} {} 0.0 5.3894 0 {} 0 96 {9.HD12} 0.85186 0.03859 0.04495 ++ {0.0} {} {9.HA} 4.01116 0.10874 0.09964 ++ {0.0} {} 0.0 9.0545 0 {} 0 97 {.HD21} 0.89488 0.02464 0.03520 ++ {0.0} {} {.HA} 4.01538 0.08870 0.11215 ++ {0.0} {} 0.0 6.4994 0 {} 0 98 {14.HD11} 0.91398 0.03859 0.04197 ++ {0.0} {} {14.HA} 4.18745 0.10874 0.09115 ++ {0.0} {} 0.0 9.0545 0 {} 0 99 {8.HD11} 0.93698 0.03012 0.04303 ++ {0.0} {} {8.HA} 3.98985 0.08340 0.06807 ++ {0.0} {} 0.0 4.0385 0 {} 0 100 {8.HD21} 0.88957 0.03859 0.04221 ++ {0.0} {} {8.HA} 3.98943 0.10874 0.09718 ++ {0.0} {} 0.0 9.0545 0 {} 0 101 {14.HD21} 0.87883 0.02279 0.02632 ++ {0.0} {} {14.HA} 4.18688 0.07773 0.06775 ++ {0.0} {} 0.0 3.6566 0 {} 0 102 {} 1.19204 0.01351 0.01241 ++ {0.0} {} {} 4.31317 0.04276 0.03627 ++ {0.0} {} 0.0 4.1511 -1 {} 0 103 {19.HG1} 1.54121 0.01454 0.02078 ++ {0.0} {} {19.HA} 4.19753 0.12033 0.09484 ++ {0.0} {} 0.0 3.9452 0 {} 0 104 {1.HG2} 2.04400 0.06667 0.09779 ++ {0.0} {} {1.HB1} 2.59457 0.11347 0.18775 ++ {0.0} {} 0.0 28.7311 0 {} 0 105 {1.HG2} 2.03012 0.04702 0.09085 ++ {0.0} {} {1.HB2} 2.45547 0.13143 0.18775 ++ {0.0} {} 0.0 28.7690 0 {} 0 106 {} 0.59000 0.01916 0.03802 ++ {0.0} {} {} 2.77511 0.07145 0.15680 ++ {0.0} {} 0.0 26.9291 0 {} 0 107 {} 0.57281 0.01916 0.03802 ++ {0.0} {} {} 2.77511 0.07145 0.15680 ++ {0.0} {} 0.0 26.9291 0 {} 0 108 {19.HN} 7.82582 0.03796 0.06984 ++ {0.0} {} {19.HB1} 1.93237 0.13143 0.18775 ++ {0.0} {} 0.0 5.2775 0 {} 0 109 {} 7.83188 0.03704 0.06524 ++ {0.0} {} {} 1.68567 0.21973 0.31391 ++ {0.0} {} 0.0 35.8981 0 {} 0 110 {8.HN} 7.91553 0.00534 0.01761 ++ {0.0} {} {8.HB2} 1.62315 0.06157 0.08786 ++ {0.0} {} 0.0 0.7812 0 {} 0 111 {12.HN} 7.83446 0.03147 0.05760 ++ {0.0} {} {12.HA} 4.07741 0.07362 0.16046 ++ {0.0} {} 0.0 58.9613 0 {} 0 112 {7.HD2} 1.68335 0.06270 0.13537 ++ {0.0} {} {7.HA} 4.06177 0.08748 0.21599 ++ {0.0} {} 0.0 28.3391 0 {} 0 113 {2.HB1} 2.02748 0.03728 0.12848 ++ {0.0} {} {2.HA} 4.38131 0.07831 0.14728 ++ {0.0} {} 0.0 17.1318 0 {} 0 114 {} 1.34159 0.03728 0.15250 ++ {0.0} {} {} 4.07878 0.07831 0.21749 ++ {0.0} {} 0.0 17.1318 -1 {} 0 115 {8.HB2} 1.54902 0.02711 0.06629 ++ {0.0} {} {8.HA} 4.01063 0.06509 0.12898 ++ {0.0} {} 0.0 1.4664 0 {} 0 116 {8.HG} 1.79217 0.06012 0.07289 ++ {0.0} {} {8.HA} 4.01458 0.19755 0.12139 ++ {0.0} {} 0.0 15.5378 0 {} 0 117 {10.HB2} 2.00350 0.02108 0.03739 ++ {0.0} {} {10.HA} 4.03754 0.06867 0.17141 ++ {0.0} {} 0.0 2.1940 0 {} 0 118 {6.HG2} 1.41110 0.02631 0.03957 ++ {0.0} {} {6.HA} 4.00956 0.06823 0.15190 ++ {0.0} {} 0.0 2.6583 0 {} 0 119 {14.HN} 7.67006 0.01887 0.01687 ++ {0.0} {} {14.HD21} 0.87684 0.09442 0.08078 ++ {0.0} {} 0.0 -0.9293 0 {} 0 120 {8.HN} 7.91248 0.00962 0.01375 ++ {0.0} {} {8.HD11} 0.93522 0.06247 0.03878 ++ {0.0} {} 0.0 -0.9638 0 {} 0 121 {8.HN} 7.91248 0.00962 0.01661 ++ {0.0} {} {8.HD21} 0.88391 0.06247 0.04059 ++ {0.0} {} 0.0 -0.9638 0 {} 0 122 {12.} 7.38548 0.01102 0.13902 ++ {0.0} {} {12.} 4.07000 0.05156 0.15571 ++ {0.0} {} 0.0 -1.0004 0 {} 0 123 {9.} 7.31995 0.02039 0.13032 ++ {0.0} {} {9.} 4.01000 0.06585 0.13312 ++ {0.0} {} 0.0 -1.8811 0 {} 0 124 {8.} 7.25436 0.02788 0.09382 ++ {0.0} {} {8.} 4.00000 0.07696 0.16204 ++ {0.0} {} 0.0 4.4939 0 {} 0 125 {14.HN} 7.40665 0.02788 0.15913 ++ {0.0} {} {} 4.20000 0.07696 0.12739 ++ {0.0} {} 0.0 4.4939 0 {} 0 126 {3.HA} 4.21887 0.02751 0.04185 ++ {0.0} {} {3.HN} 7.82729 0.10649 0.17164 ++ {0.0} {} 0.0 3.5864 0 {} 0 127 {14.HA} 4.19083 0.03003 0.04597 ++ {0.0} {} {14.HN} 7.65799 0.07834 0.11930 ++ {0.0} {} 0.0 3.2830 0 {} 0 128 {19.HA} 4.10287 0.03083 0.05727 ++ {0.0} {} {19.HN} 7.82954 0.08727 0.22540 ++ {0.0} {} 0.0 29.3771 0 {} 0 129 {10.HA} 4.06084 0.02875 0.04612 ++ {0.0} {} {10.HN} 7.71625 0.10442 0.18775 ++ {0.0} {} 0.0 5.1531 0 {} 0 130 {16.HA} 4.05585 0.04009 0.06210 ++ {0.0} {} {16.HN} 7.56163 0.08627 0.18775 ++ {0.0} {} 0.0 7.6415 0 {} 0 131 {7.HA} 4.07841 0.02961 0.05994 ++ {0.0} {} {7.HN} 8.01381 0.09397 0.17342 ++ {0.0} {} 0.0 3.7200 0 {} 0 132 {} 4.02274 0.03146 0.05052 ++ {0.0} {} {} 8.11945 0.08202 0.17674 ++ {0.0} {} 0.0 5.0576 0 {} 0 133 {8.HA} 3.99531 0.02756 0.03894 ++ {0.0} {} {8.HN} 7.91097 0.07789 0.12066 ++ {0.0} {} 0.0 3.4745 0 {} 0 134 {} 3.96197 0.02778 0.05591 ++ {0.0} {} {} 7.81999 0.13501 0.20976 ++ {0.0} {} 0.0 5.5797 0 {} 0 135 {13.HA} 3.93949 0.03581 0.05457 ++ {0.0} {} {13.HN} 8.14076 0.09858 0.17870 ++ {0.0} {} 0.0 3.9009 0 {} 0 136 {12.HG} 1.78754 0.05466 0.05274 ++ {0.0} {} {12.HA} 4.07491 0.19032 0.13303 ++ {0.0} {} 0.0 15.5378 0 {} 0 137 {19.HB1} 1.92521 0.05466 0.06201 ++ {0.0} {} {19.HA} 4.19132 0.19032 0.17830 ++ {0.0} {} 0.0 15.5378 0 {} 0 138 {10.HG2} 1.45092 0.02631 0.04285 ++ {0.0} {} {10.HA} 4.01068 0.06823 0.14121 ++ {0.0} {} 0.0 2.6583 0 {} 0 139 {16.HG11} 1.49686 0.02631 0.04478 ++ {0.0} {} {16.HA} 4.04014 0.06823 0.14121 ++ {0.0} {} 0.0 2.6583 0 {} 0 140 {14.HB1} 1.50464 0.02631 0.04196 ++ {0.0} {} {14.HA} 4.19293 0.06823 0.11281 ++ {0.0} {} 0.0 2.6583 0 {} 0 141 {} 4.38486 0.04488 0.04802 ++ {0.0} {} {} 2.59899 0.06995 0.08281 ++ {0.0} {} 0.0 2.9987 0 {} 0 142 {1.HA} 4.40401 0.04098 0.05429 ++ {0.0} {} {1.HB2} 2.02087 0.08489 0.10959 ++ {0.0} {} 0.0 3.4523 0 {} 0 143 {17.HA} 4.33022 0.03199 0.06955 ++ {0.0} {} {17.HB1} 1.31589 0.10207 0.19455 ++ {0.0} {} 0.0 9.6180 0 {} 0 144 {3.HA} 4.23496 0.03583 0.07288 ++ {0.0} {} {3.HB1} 1.41387 0.06945 0.22939 ++ {0.0} {} 0.0 18.9923 0 {} 0 145 {} 4.10568 0.04510 0.06718 ++ {0.0} {} {} 1.32755 0.08043 0.17766 ++ {0.0} {} 0.0 10.8804 0 {} 0 146 {16.HA} 4.05459 0.03964 0.06832 ++ {0.0} {} {16.HG21} 0.79088 0.18472 0.24098 ++ {0.0} {} 0.0 11.5353 0 {} 0 147 {12.HA} 4.08157 0.03514 0.05021 ++ {0.0} {} {12.HD11} 0.93046 0.08175 0.06350 ++ {0.0} {} 0.0 2.0010 0 {} 0 148 {9.HA} 4.00254 0.05184 0.07373 ++ {0.0} {} {9.HD11} 0.87694 0.13033 0.18603 ++ {0.0} {} 0.0 4.2590 0 {} 0 149 {16.HA} 4.04395 0.04532 0.04332 ++ {0.0} {} {16.HG11} 1.53493 0.07809 0.16327 ++ {0.0} {} 0.0 2.4042 0 {} 0 150 {} 3.79340 0.01407 0.02010 ++ {0.0} {} {} 1.51891 0.06471 0.05368 ++ {0.0} {} 0.0 2.0912 0 {} 0 151 {19.HA} 4.21495 0.02645 0.02459 ++ {0.0} {} {19.HB1} 1.93878 0.09033 0.08064 ++ {0.0} {} 0.0 2.2107 0 {} 0 152 {14.HA} 4.17446 0.02464 0.03520 ++ {0.0} {} {14.HG} 1.81377 0.10697 0.11469 ++ {0.0} {} 0.0 2.6383 0 {} 0 153 {14.HA} 4.17134 0.01343 0.01919 ++ {0.0} {} {14.HB2} 1.58113 0.10282 0.04913 ++ {0.0} {} 0.0 1.6081 0 {} 0 154 {} 3.97307 0.04733 0.05965 ++ {0.0} {} {} 1.45875 0.18617 0.26839 ++ {0.0} {} 0.0 17.3812 0 {} 0 155 {8.HA} 4.01522 0.05202 0.04528 ++ {0.0} {} {8.HB2} 1.52532 0.11406 0.22616 ++ {0.0} {} 0.0 11.5206 0 {} 0 156 {13.HA} 3.95326 0.04107 0.05867 ++ {0.0} {} {13.HG1} 1.69240 0.19130 0.30771 ++ {0.0} {} 0.0 8.5719 0 {} 0 157 {10.HA} 4.01567 0.03012 0.04303 ++ {0.0} {} {10.HG2} 1.40190 0.09594 0.13065 ++ {0.0} {} 0.0 3.6124 0 {} 0 158 {6.HA} 4.01466 0.05202 0.07432 ++ {0.0} {} {6.HB1} 1.88303 0.11406 0.22616 ++ {0.0} {} 0.0 11.5206 0 {} 0 159 {4.HA} 4.10201 0.04733 0.09974 ++ {0.0} {} {4.HG2} 1.67810 0.18617 0.29988 ++ {0.0} {} 0.0 17.3812 0 {} 0 160 {13.HA} 3.95999 0.04107 0.05867 ++ {0.0} {} {13.HB2} 1.89825 0.19130 0.30771 ++ {0.0} {} 0.0 8.5719 0 {} 0 161 {6.HA} 4.01529 0.06845 0.09779 ++ {0.0} {} {6.HD2} 1.71114 0.13143 0.18775 ++ {0.0} {} 0.0 9.5175 0 {} 0 162 {16.HA} 4.05908 0.04532 0.03854 ++ {0.0} {} {16.HB} 1.93988 0.07809 0.19702 ++ {0.0} {} 0.0 2.4042 0 {} 0 163 {} 3.84493 0.04532 0.04430 ++ {0.0} {} {} 1.19747 0.07809 0.07668 ++ {0.0} {} 0.0 2.4042 0 {} 0 164 {} 3.63715 0.02049 0.03344 ++ {0.0} {} {} 0.87660 0.08935 0.18220 ++ {0.0} {} 0.0 7.8118 0 {} 0 165 {} 3.64838 0.01369 0.01956 ++ {0.0} {} {} 1.13233 0.09736 0.18099 ++ {0.0} {} 0.0 7.4988 0 {} 0 166 {} 3.62390 0.02141 0.03520 ++ {0.0} {} {} 1.13266 0.08025 0.18399 ++ {0.0} {} 0.0 16.0281 0 {} 0 167 {} 3.59773 0.01349 0.02581 ++ {0.0} {} {} 1.13085 0.09427 0.18396 ++ {0.0} {} 0.0 7.7497 0 {} 0 168 {7.HE1} 2.96409 0.04710 0.06925 ++ {0.0} {} {7.HG1} 1.33924 0.07216 0.18893 ++ {0.0} {} 0.0 103.2276 0 {} 0 169 {19.HE1} 2.96058 0.03904 0.09956 ++ {0.0} {} {19.HD1} 1.67067 0.09763 0.13947 ++ {0.0} {} 0.0 260.5712 0 {} 0 170 {6.HE1} 2.94928 0.05862 0.08833 ++ {0.0} {} {6.HB1} 1.86938 0.13143 0.18775 ++ {0.0} {} 0.0 43.4920 0 {} 0 171 {} 2.78969 0.01917 0.02738 ++ {0.0} {} {} 1.72998 0.06675 0.10880 ++ {0.0} {} 0.0 20.1930 0 {} 0 172 {} 2.77190 0.01917 0.02738 ++ {0.0} {} {} 1.72926 0.06835 0.11224 ++ {0.0} {} 0.0 20.8713 0 {} 0 173 {} 2.80582 0.01369 0.01956 ++ {0.0} {} {} 1.72805 0.07085 0.11312 ++ {0.0} {} 0.0 18.5140 0 {} 0 174 {} 2.78908 0.04259 0.05907 ++ {0.0} {} {} 0.57227 0.08379 0.19169 ++ {0.0} {} 0.0 35.9016 0 {} 0 175 {6.HE2} 2.87429 0.04259 0.05907 ++ {0.0} {} {6.HG2} 1.51716 0.08379 0.19169 ++ {0.0} {} 0.0 35.9016 0 {} 0 176 {11.HE2} 2.92692 0.03889 0.06327 ++ {0.0} {} {11.HB2} 1.94739 0.08169 0.22143 ++ {0.0} {} 0.0 43.3836 0 {} 0 177 {2.HG1} 2.61298 0.03889 0.06327 ++ {0.0} {} {2.HB1} 2.03850 0.08169 0.22143 ++ {0.0} {} 0.0 43.3836 0 {} 0 178 {1.HB1} 2.46110 0.05119 0.09803 ++ {0.0} {} {1.HB2} 2.00590 0.11647 0.21598 ++ {0.0} {} 0.0 30.4994 0 {} 0 179 {16.HB} 1.92788 0.05360 0.08411 ++ {0.0} {} {16.HG21} 0.79132 0.06526 0.11077 ++ {0.0} {} 0.0 24.6830 0 {} 0 180 {} 1.74419 0.05550 0.08519 ++ {0.0} {} {} 0.57220 0.08151 0.12486 ++ {0.0} {} 0.0 15.9570 0 {} 0 181 {14.HG} 1.80097 0.06499 0.14104 ++ {0.0} {} {14.HD21} 0.88219 0.10834 0.23707 ++ {0.0} {} 0.0 90.3983 0 {} 0 182 {16.HG11} 1.51580 0.05411 0.08972 ++ {0.0} {} {16.HD11} 0.79873 0.06616 0.10470 ++ {0.0} {} 0.0 17.8967 0 {} 0 183 {12.HG} 1.75143 0.05411 0.09371 ++ {0.0} {} {12.HD21} 0.92000 0.06616 0.21645 ++ {0.0} {} 0.0 17.8967 0 {} 0 184 {9.HB2} 1.64631 0.05411 0.08972 ++ {0.0} {} {9.HD11} 0.90418 0.06616 0.23754 ++ {0.0} {} 0.0 17.8967 0 {} 0 185 {16.HD11} 0.80154 0.03572 0.06009 ++ {0.0} {} {16.HB} 1.91856 0.06876 0.15443 ++ {0.0} {} 0.0 49.6033 0 {} 0 186 {16.HD11} 0.81018 0.03182 0.06647 ++ {0.0} {} {16.HG11} 1.50533 0.10631 0.22724 ++ {0.0} {} 0.0 42.5918 0 {} 0 187 {16.HD11} 0.80519 0.02880 0.08246 ++ {0.0} {} {16.HG12} 1.18978 0.09768 0.23292 ++ {0.0} {} 0.0 61.1993 0 {} 0 188 {} 0.78531 0.01765 0.02704 ++ {0.0} {} {} 1.08168 0.04851 0.07559 ++ {0.0} {} 0.0 16.9138 0 {} 0 189 {14.HD21} 0.85382 0.01917 0.02738 ++ {0.0} {} {14.HG} 1.77030 0.17737 0.30217 ++ {0.0} {} 0.0 53.8465 0 {} 0 190 {12.HD21} 0.92139 0.03502 0.06988 ++ {0.0} {} {12.HG} 1.75391 0.18504 0.28867 ++ {0.0} {} 0.0 124.0957 0 {} 0 191 {} 0.89278 0.04326 0.05651 ++ {0.0} {} {} 1.19381 0.06999 0.09821 ++ {0.0} {} 0.0 12.5168 0 {} 0 192 {} 0.90361 0.06104 0.05584 ++ {0.0} {} {} 1.31108 0.07244 0.06713 ++ {0.0} {} 0.0 6.9602 0 {} 0 193 {} 0.96102 0.04926 0.04723 ++ {0.0} {} {} 1.25177 0.07258 0.06997 ++ {0.0} {} 0.0 7.2105 0 {} 0 194 {} 0.96315 0.02806 0.04923 ++ {0.0} {} {} 1.71706 0.13065 0.32182 ++ {0.0} {} 0.0 36.5474 0 {} 0 195 {14.HD21} 0.88985 0.03502 0.12811 ++ {0.0} {} {14.HG} 1.77500 0.18504 0.39057 ++ {0.0} {} 0.0 124.0957 0 {} 0 196 {} 1.58861 0.05067 0.04922 ++ {0.0} {} {} 3.18071 0.08121 0.07898 ++ {0.0} {} 0.0 7.2708 0 {} 0 197 {} 1.78232 0.05115 0.09779 ++ {0.0} {} {} 1.32838 0.07754 0.14958 ++ {0.0} {} 0.0 27.3187 0 {} 0 198 {16.HB} 1.90698 0.09413 0.14977 ++ {0.0} {} {16.HG11} 1.51281 0.13143 0.18775 ++ {0.0} {} 0.0 19.0633 0 {} 0 199 {} 1.42739 0.07940 0.11343 ++ {0.0} {} {} 1.88671 0.13143 0.18775 ++ {0.0} {} 0.0 15.0405 0 {} 0 200 {1.HD1} 3.37020 0.03647 0.05836 ++ {0.0} {} {1.HB1} 2.45111 0.08127 0.16313 ++ {0.0} {} 0.0 22.4030 0 {} 0 201 {1.HD2} 3.37060 0.04856 0.08165 ++ {0.0} {} {1.HG1} 2.00946 0.09646 0.22651 ++ {0.0} {} 0.0 82.2858 0 {} 0 202 {7.HA} 4.11229 0.03379 0.03243 ++ {0.0} {} {7.HE1} 2.94970 0.07978 0.07474 ++ {0.0} {} 0.0 7.0265 0 {} 0 203 {6.HA} 4.01858 0.05442 0.07774 ++ {0.0} {} {6.HE1} 2.94752 0.09186 0.04681 ++ {0.0} {} 0.0 5.0120 0 {} 0 204 {} 3.60836 0.01597 0.02307 ++ {0.0} {} {} 8.25584 0.07603 0.12054 ++ {0.0} {} 0.0 4.7218 0 {} 0 205 {} 3.32511 0.01363 0.02344 ++ {0.0} {} {} 9.09471 0.05959 0.10829 ++ {0.0} {} 0.0 10.7176 0 {} 0 206 {} 3.17004 0.01669 0.02912 ++ {0.0} {} {} 9.57175 0.07713 0.18897 ++ {0.0} {} 0.0 10.6170 0 {} 0 207 {18.HB1} 3.22257 0.01917 0.02738 ++ {0.0} {} {18.HN} 8.19975 0.09608 0.20464 ++ {0.0} {} 0.0 7.2753 -1 {} 0 208 {18.HB1} 3.19730 0.02555 0.04577 ++ {0.0} {} {18.HN} 8.19696 0.08799 0.21904 ++ {0.0} {} 0.0 13.6026 0 {} 0 209 {18.HB2} 3.01810 0.05336 0.04874 ++ {0.0} {} {18.HN} 8.19431 0.08814 0.21764 ++ {0.0} {} 0.0 11.0241 0 {} 0 210 {} 2.98765 0.05336 0.04895 ++ {0.0} {} {} 8.18764 0.08814 0.15092 ++ {0.0} {} 0.0 11.0241 -1 {} 0 211 {19.HE1} 2.97574 0.01907 0.02481 ++ {0.0} {} {19.HN} 7.82684 0.08171 0.10719 ++ {0.0} {} 0.0 2.8458 0 {} 0 212 {19.HE2} 2.94783 0.01907 0.02481 ++ {0.0} {} {19.HN} 7.83018 0.08171 0.10719 ++ {0.0} {} 0.0 2.8458 0 {} 0 213 {16.HB} 1.93019 0.04667 0.06090 ++ {0.0} {} {16.HN} 7.55516 0.06714 0.09193 ++ {0.0} {} 0.0 3.8808 0 {} 0 214 {19.HB1} 1.91779 0.04176 0.04295 ++ {0.0} {} {19.HN} 7.82061 0.10809 0.11309 ++ {0.0} {} 0.0 2.5665 0 {} 0 215 {12.HG} 1.77959 0.03877 0.07281 ++ {0.0} {} {12.HN} 7.83125 0.08396 0.20983 ++ {0.0} {} 0.0 14.9837 0 {} 0 216 {14.HG} 1.80633 0.03206 0.04579 ++ {0.0} {} {14.HN} 7.65663 0.05536 0.02632 ++ {0.0} {} 0.0 1.6056 0 {} 0 217 {19.HD1} 1.69084 0.05528 0.08673 ++ {0.0} {} {19.HN} 7.82852 0.09149 0.21320 ++ {0.0} {} 0.0 13.8528 0 {} 0 218 {} 1.35703 0.04445 0.09100 ++ {0.0} {} {} 7.82968 0.08850 0.19341 ++ {0.0} {} 0.0 10.0233 0 {} 0 219 {17.HB1} 1.32759 0.02876 0.05008 ++ {0.0} {} {17.HN} 7.61800 0.17332 0.24794 ++ {0.0} {} 0.0 53.0836 0 {} 0 220 {} 1.20045 0.01913 0.02791 ++ {0.0} {} {} 8.34591 0.05273 0.07956 ++ {0.0} {} 0.0 4.9829 0 {} 0 221 {16.HD11} 0.79842 0.03033 0.05423 ++ {0.0} {} {16.HN} 7.56240 0.07153 0.13573 ++ {0.0} {} 0.0 10.6126 0 {} 0 222 {} 1.74133 0.06851 0.09260 ++ {0.0} {} {} 2.76970 0.06500 0.10501 ++ {0.0} {} 0.0 15.5472 0 {} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H 2 . 8012.820 Hz . . . 2351.05 . . 30408 1 2 . . H 1 H 1 . 8002.124 Hz . . . 2351.05 . . 30408 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30408 _Spectral_peak_list.ID 2 _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 text _Spectral_peak_list.Text_data ; 0 {13.HN} 8.14384 0.03141 0.04015 ++ {0.0} {} {13.HA} 3.95040 0.08866 0.21260 ++ {0.0} {} 429.014862061 3.2559 0 {} 0 1 {5.HN} 8.28567 0.03011 0.04983 ++ {0.0} {} {5.HA} 4.57907 0.08386 0.07116 ++ {0.0} {} 66.2947006226 4.1837 0 {} 0 2 {18.HN} 8.19054 0.03518 0.05000 ++ {0.0} {} {16.HA} 4.03621 0.04494 0.15691 ++ {0.0} {} 91.6763687134 1.9641 0 {} 0 3 {18.HN} 8.19641 0.02965 0.06445 ++ {0.0} {} {18.HA} 4.58143 0.10073 0.22978 ++ {0.0} {} 351.107971191 31.5997 0 {} 0 4 {11.HN} 8.12924 0.03903 0.06234 ++ {0.0} {} {11.HA} 4.01598 0.09464 0.17070 ++ {0.0} {} 745.137329102 7.5589 0 {} 0 5 {4.HN} 8.35653 0.03903 0.03815 ++ {0.0} {} {4.HA} 4.12907 0.09464 0.07813 ++ {0.0} {} 40.1419754028 7.5589 0 {} 0 6 {7.HN} 8.01675 0.02888 0.06220 ++ {0.0} {} {7.HA} 4.07266 0.09326 0.08636 ++ {0.0} {} 249.368515015 6.8212 0 {} 0 7 {8.HN} 7.91048 0.03383 0.05744 ++ {0.0} {} {8.HA} 3.98890 0.06199 0.12365 ++ {0.0} {} 306.97277832 4.7950 0 {} 0 8 {2.HN} 7.75343 0.03089 0.04633 ++ {0.0} {} {2.HA} 4.38893 0.08976 0.22664 ++ {0.0} {} -0.00774432532489 6.6435 0 {} 0 9 {19.HN} 7.83350 0.02910 0.04929 ++ {0.0} {} {19.HA} 4.12970 0.05927 0.09001 ++ {0.0} {} 244.045928955 8.5993 0 {} 0 10 {3.HN} 7.82528 0.03716 0.09163 ++ {0.0} {} {3.HA} 4.23212 0.06693 0.07610 ++ {0.0} {} 303.743438721 58.9613 0 {} 0 11 {10.HN} 7.72576 0.03501 0.06872 ++ {0.0} {} {10.HA} 4.08368 0.07933 0.11642 ++ {0.0} {} 343.675598145 9.4811 0 {} 0 12 {1.HN} 7.75356 0.02646 0.05139 ++ {0.0} {} {1.HA} 4.38876 0.07823 0.14948 ++ {0.0} {} -0.301280856133 5.0279 -1 {} 0 13 {6.HN} 8.08924 0.02788 0.06061 ++ {0.0} {} {6.HA} 4.00537 0.07696 0.13724 ++ {0.0} {} 191.646911621 4.4939 0 {} 0 14 {14.HN} 7.65889 0.02935 0.07113 ++ {0.0} {} {14.HA} 4.20185 0.07904 0.09528 ++ {0.0} {} 239.616516113 9.2981 0 {} 0 15 {17.HN} 7.60996 0.03224 0.07339 ++ {0.0} {} {17.HA} 4.33043 0.09765 0.09934 ++ {0.0} {} 332.164672852 9.2277 0 {} 0 16 {16.HN} 7.55700 0.03821 0.04848 ++ {0.0} {} {16.HA} 4.04560 0.06894 0.06834 ++ {0.0} {} 184.326766968 14.3130 0 {} 0 17 {} 7.55687 0.03821 0.05769 ++ {0.0} {} {} 4.05159 0.06894 0.09178 ++ {0.0} {} 221.689331055 14.3130 -1 {} 0 18 {15.HE2} 2.93277 0.07450 0.03847 ++ {0.0} {} {15.HA} 3.97251 0.15229 0.07613 ++ {0.0} {} 156.33744812 17.5320 0 {} 0 19 {5.HD21} 7.82854 0.02186 0.02944 ++ {0.0} {} {5.HB1} 2.94549 0.07735 0.10887 ++ {0.0} {} 85.2043609619 5.1632 -1 {} 0 20 {15.HN} 7.81607 0.03089 0.06078 ++ {0.0} {} {15.HA} 3.95581 0.12345 0.12673 ++ {0.0} {} 468.616119385 6.6435 0 {} 0 21 {5.HN} 8.28188 0.02966 0.03324 ++ {0.0} {} {5.HB2} 2.82577 0.12401 0.14856 ++ {0.0} {} 77.0900497437 2.2749 0 {} 0 22 {5.HB1} 2.84352 0.06865 0.08119 ++ {0.0} {} {5.HA} 4.56512 0.08550 0.11812 ++ {0.0} {} 402.347595215 3.1662 0 {} 0 23 {5.HB2} 2.81729 0.06865 0.08119 ++ {0.0} {} {5.HA} 4.56512 0.08550 0.11812 ++ {0.0} {} 423.147216797 3.1662 0 {} 0 24 {18.HN} 8.19617 0.03710 0.06251 ++ {0.0} {} {18.HB1} 3.19692 0.10800 0.23153 ++ {0.0} {} 242.357620239 19.9183 0 {} 0 25 {18.HN} 8.19644 0.02970 0.05805 ++ {0.0} {} {18.HB2} 2.99438 0.07480 0.18775 ++ {0.0} {} 267.340362549 22.9021 0 {} 0 26 {18.HB1} 3.20514 0.02661 0.06194 ++ {0.0} {} {18.HA} 4.58701 0.09239 0.24648 ++ {0.0} {} 302.611297607 19.1358 0 {} 0 27 {18.HB2} 3.00407 0.04422 0.07359 ++ {0.0} {} {18.HA} 4.57062 0.09938 0.21820 ++ {0.0} {} 336.602935791 14.9254 0 {} 0 28 {16.HN} 7.55745 0.04257 0.05782 ++ {0.0} {} {16.HB} 1.91882 0.06996 0.14175 ++ {0.0} {} 412.941894531 4.1539 0 {} 0 29 {16.HN} 7.55594 0.01333 0.01904 ++ {0.0} {} {16.HG12} 1.20717 0.08427 0.05361 ++ {0.0} {} 74.4347915649 1.1486 0 {} 0 30 {16.HN} 7.55936 0.03525 0.05950 ++ {0.0} {} {16.HD11} 0.78978 0.06840 0.12512 ++ {0.0} {} 323.782226562 9.1777 0 {} 0 31 {16.HB} 1.89865 0.06854 0.08092 ++ {0.0} {} {16.HA} 4.00730 0.14549 0.11458 ++ {0.0} {} 3787.37304687 17.1043 0 {} 0 32 {7.HE1} 2.95073 0.07450 0.05059 ++ {0.0} {} {7.HA} 4.10225 0.15229 0.05980 ++ {0.0} {} 79.8814544678 17.5320 -1 {} 0 33 {16.HN} 7.55936 0.03525 0.05950 ++ {0.0} {} {16.HG21} 0.78978 0.06840 0.12512 ++ {0.0} {} 323.782226562 9.1777 0 {} 0 34 {16.HG21} 0.79564 0.03605 0.04681 ++ {0.0} {} {16.HA} 4.04546 0.07062 0.15196 ++ {0.0} {} 897.339294434 27.1879 0 {} 0 35 {16.HD11} 0.79748 0.03605 0.03813 ++ {0.0} {} {16.HA} 4.05015 0.07062 0.15526 ++ {0.0} {} 825.375915527 27.1879 0 {} 0 36 {8.HB2} 1.53612 0.01170 0.09863 ++ {0.0} {} {8.HA} 4.00841 0.06560 0.16000 ++ {0.0} {} 179.411758423 6.0457 0 {} 0 37 {2.HG2} 2.60431 0.03593 0.06069 ++ {0.0} {} {1.HA} 4.38294 0.08656 0.19951 ++ {0.0} {} 169.066970825 23.9830 0 {} 0 38 {1.HB1} 2.46185 0.04311 0.12505 ++ {0.0} {} {1.HA} 4.41850 0.06723 0.10912 ++ {0.0} {} 225.708648682 6.2075 0 {} 0 39 {1.HB2} 2.02505 0.06052 0.06392 ++ {0.0} {} {1.HA} 4.40572 0.07953 0.09187 ++ {0.0} {} 431.965637207 28.3391 0 {} 0 40 {1.HG1} 2.03767 0.06052 0.05375 ++ {0.0} {} {1.HA} 4.40395 0.07953 0.09646 ++ {0.0} {} 370.528686523 28.3391 0 {} 0 41 {1.HD1} 3.36443 0.03477 0.05360 ++ {0.0} {} {1.HA} 4.42185 0.06871 0.11272 ++ {0.0} {} 80.5158538818 13.2945 0 {} 0 42 {17.HN} 7.61506 0.03229 0.07773 ++ {0.0} {} {17.HB1} 1.31434 0.09974 0.10067 ++ {0.0} {} 572.761962891 49.1973 0 {} 0 43 {3.HN} 7.83216 0.03744 0.06251 ++ {0.0} {} {3.HB1} 1.32658 0.08137 0.11560 ++ {0.0} {} 212.130844116 25.8527 0 {} 0 44 {17.HB1} 1.32129 0.02943 0.06023 ++ {0.0} {} {17.HA} 4.33096 0.10249 0.10547 ++ {0.0} {} 1085.50720215 92.0924 0 {} 0 45 {3.HB1} 1.41789 0.03389 0.06991 ++ {0.0} {} {3.HA} 4.23473 0.07119 0.11977 ++ {0.0} {} 629.63067627 17.1318 0 {} 0 46 {4.HD2} 3.17716 0.05132 0.07675 ++ {0.0} {} {4.HB2} 1.87553 0.08156 0.21318 ++ {0.0} {} 530.707336426 10.2106 0 {} 0 47 {4.HD1} 3.17258 0.04707 0.07174 ++ {0.0} {} {4.HG1} 1.71800 0.13143 0.18775 ++ {0.0} {} 1024.44311523 10.5649 0 {} 0 48 {13.HD2} 3.18169 0.04038 0.06243 ++ {0.0} {} {14.HB2} 1.58311 0.13143 0.18775 ++ {0.0} {} 488.864105225 10.4495 0 {} 0 49 {13.HD1} 3.15586 0.05862 0.07061 ++ {0.0} {} {10.HB2} 1.99940 0.13143 0.18667 ++ {0.0} {} 298.510955811 43.4920 0 {} 0 50 {13.HD2} 3.15587 0.05862 0.07059 ++ {0.0} {} {13.HB2} 1.88616 0.13143 0.17474 ++ {0.0} {} 785.391845703 43.4920 0 {} 0 51 {4.HD1} 3.14230 0.05862 0.07059 ++ {0.0} {} {4.HG1} 1.72525 0.13143 0.13898 ++ {0.0} {} 1130.31811523 43.4920 0 {} 0 52 {13.HD1} 3.15018 0.04960 0.08780 ++ {0.0} {} {13.HA} 3.94999 0.07515 0.13088 ++ {0.0} {} 320.179718018 5.0261 0 {} 0 53 {4.HD1} 3.18341 0.03048 0.10061 ++ {0.0} {} {4.HA} 4.14154 0.05986 0.12797 ++ {0.0} {} 92.8036727905 3.6057 0 {} 0 54 {13.HN} 8.14250 0.04009 0.05757 ++ {0.0} {} {13.HD1} 3.16122 0.06769 0.09715 ++ {0.0} {} 67.3440551758 2.7741 0 {} 0 55 {} 7.83023 0.02171 0.02159 ++ {0.0} {} {} 3.23337 0.11362 0.11257 ++ {0.0} {} 116.489151001 -0.9935 -1 {} 0 56 {4.HN} 8.35976 0.00846 0.03831 ++ {0.0} {} {4.HB2} 1.87055 0.08587 0.12268 ++ {0.0} {} 37.5926399231 0.8086 0 {} 0 57 {4.HN} 8.35841 0.01796 0.01791 ++ {0.0} {} {4.HD1} 2.87402 0.10433 0.10397 ++ {0.0} {} 3.59900450706 0.7993 0 {} 0 58 {13.HN} 8.13750 0.02070 0.03592 ++ {0.0} {} {13.HB2} 1.89435 0.20030 0.14850 ++ {0.0} {} 720.16003418 0.7687 0 {} 0 59 {11.HN} 8.14004 0.02070 0.02843 ++ {0.0} {} {10.HB2} 1.98915 0.20030 0.17396 ++ {0.0} {} 428.73236084 0.7687 0 {} 0 60 {16.HN} 7.55617 0.03318 0.02795 ++ {0.0} {} {16.HG11} 1.51590 0.06962 0.07595 ++ {0.0} {} 183.147064209 11.9131 0 {} 0 61 {10.HN} 7.72150 0.02788 0.03866 ++ {0.0} {} {9.HA} 3.99625 0.07696 0.10544 ++ {0.0} {} 162.334014893 4.4939 0 {} 0 62 {5.HD21} 9.01813 0.01960 0.02391 ++ {0.0} {} {5.HD22} 8.20641 0.08403 0.10268 ++ {0.0} {} 4.56583499908 0.8247 -1 {} 0 63 {18.HD2} 7.33165 0.04251 0.03054 ++ {0.0} {} {18.HA} 4.58684 0.04791 0.10666 ++ {0.0} {} 160.245513916 22.5634 0 {} 0 64 {18.HD1} 7.31359 0.02466 0.02520 ++ {0.0} {} {17.HA} 4.33415 0.05021 0.05121 ++ {0.0} {} 33.8918190002 3.6400 0 {} 0 65 {18.HD1} 7.31242 0.01555 0.02222 ++ {0.0} {} {16.HA} 4.06614 0.03461 0.04944 ++ {0.0} {} 11.9258213043 2.5751 0 {} 0 66 {18.HE2} 7.28374 0.04243 0.03324 ++ {0.0} {} {18.HB1} 3.20651 0.05015 0.11518 ++ {0.0} {} 72.7314376831 18.0096 0 {} 0 67 {18.HD2} 7.31225 0.04243 0.04139 ++ {0.0} {} {18.HB1} 3.21092 0.05015 0.11518 ++ {0.0} {} 254.316116333 18.0096 0 {} 0 68 {18.HD2} 7.28588 0.04195 0.03141 ++ {0.0} {} {18.HB2} 2.99276 0.04603 0.10562 ++ {0.0} {} 44.0498390198 17.7893 0 {} 0 69 {18.HD1} 7.31642 0.04195 0.03579 ++ {0.0} {} {18.HB2} 3.00600 0.04603 0.13456 ++ {0.0} {} 151.166351318 17.7893 0 {} 0 70 {18.HD1} 7.31307 0.01316 0.01880 ++ {0.0} {} {19.HD1} 1.66968 0.04261 0.06088 ++ {0.0} {} 12.1464166641 2.7881 0 {} 0 71 {18.HD1} 7.31299 0.03641 0.04559 ++ {0.0} {} {19.HG1} 1.32968 0.04593 0.07083 ++ {0.0} {} 56.1042976379 6.3874 0 {} 0 72 {18.HE2} 7.28243 0.00993 0.01418 ++ {0.0} {} {16.HG11} 1.33050 0.04836 0.02591 ++ {0.0} {} 8.37440681458 2.4363 0 {} 0 73 {18.HD1} 7.31069 0.01247 0.01782 ++ {0.0} {} {?} 0.88407 0.05561 0.03989 ++ {0.0} {} 17.1378822327 2.2250 -1 {} 0 74 {18.HE1} 7.28125 0.00849 0.01213 ++ {0.0} {} {??} 0.88386 0.05459 0.02740 ++ {0.0} {} 5.35725498199 1.9052 -1 {} 0 75 {18.HD1} 7.31240 0.03559 0.05085 ++ {0.0} {} {16.HG21} 0.80093 0.04252 0.08804 ++ {0.0} {} 79.5615158081 9.4208 0 {} 0 76 {18.HE1} 7.28205 0.02464 0.03520 ++ {0.0} {} {16.HD11} 0.80009 0.04610 0.08410 ++ {0.0} {} 50.9614486694 6.2838 0 {} 0 77 {18.HD1} 7.31302 0.04251 0.02954 ++ {0.0} {} {18.HA} 4.58466 0.04791 0.10926 ++ {0.0} {} 237.697265625 22.5634 0 {} 0 78 {18.HE1} 7.28273 0.01369 0.01956 ++ {0.0} {} {18.HA} 4.58111 0.05268 0.08252 ++ {0.0} {} 38.6653404236 5.2022 0 {} 0 79 {5.HD22} 7.04637 0.03222 0.05153 ++ {0.0} {} {5.HD21} 7.64653 0.07160 0.11258 ++ {0.0} {} 317.414794922 21.4191 0 {} 0 80 {5.HD21} 7.62718 0.02820 0.04479 ++ {0.0} {} {5.HD22} 7.06044 0.04543 0.09137 ++ {0.0} {} 132.222076416 18.7756 0 {} 0 81 {5.HD21} 7.62635 0.02808 0.03148 ++ {0.0} {} {5.HB1} 2.82840 0.10262 0.11483 ++ {0.0} {} 180.336425781 8.4153 -1 {} 0 82 {5.HD22} 7.04566 0.02909 0.03190 ++ {0.0} {} {5.HB1} 2.83377 0.09622 0.10231 ++ {0.0} {} 148.713775635 7.6584 0 {} 0 83 {5.HD22} 7.04599 0.02931 0.02616 ++ {0.0} {} {6.HD1} 1.42119 0.05153 0.04143 ++ {0.0} {} 28.5246009827 2.9829 0 {} 0 84 {18.HD1} 7.31274 0.01793 0.01793 ++ {0.0} {} {19.HN} 7.85391 0.03602 0.03601 ++ {0.0} {} 21.5074520111 4.4578 0 {} 0 85 {18.HD1} 7.31217 0.02386 0.03817 ++ {0.0} {} {18.HN} 8.21652 0.04183 0.06136 ++ {0.0} {} 56.969291687 8.3653 0 {} 0 86 {16.HN} 7.55732 0.02504 0.03015 ++ {0.0} {} {15.HN} 7.84071 0.05341 0.07599 ++ {0.0} {} 78.6229782104 6.4966 0 {} 0 87 {17.HN} 7.61260 0.03456 0.04214 ++ {0.0} {} {18.HN} 8.21620 0.04221 0.05828 ++ {0.0} {} 58.3542251587 7.2005 0 {} 0 88 {18.HN} 8.19720 0.03393 0.04711 ++ {0.0} {} {17.HN} 7.62709 0.05264 0.10413 ++ {0.0} {} 141.101715088 10.1380 0 {} 0 89 {14.HN} 7.66071 0.02114 0.02298 ++ {0.0} {} {15.HN} 7.83472 0.05942 0.07174 ++ {0.0} {} 49.9146957397 5.2045 0 {} 0 90 {14.HN} 7.66084 0.03044 0.03799 ++ {0.0} {} {13.HN} 8.15690 0.05004 0.07425 ++ {0.0} {} 92.7844314575 7.2440 0 {} 0 91 {10.HN} 7.72295 0.03270 0.05414 ++ {0.0} {} {11.HN} 8.14747 0.05823 0.10069 ++ {0.0} {} 149.699081421 10.5596 0 {} 0 92 {19.HN} 7.83323 0.03102 0.04197 ++ {0.0} {} {18.HN} 8.21326 0.07661 0.10889 ++ {0.0} {} 191.83442688 11.7887 0 {} 0 93 {12.HN} 7.82479 0.03102 0.04197 ++ {0.0} {} {11.HN} 8.14924 0.07661 0.10889 ++ {0.0} {} 109.67540741 11.7887 0 {} 0 94 {8.HN} 7.91146 0.01231 0.03190 ++ {0.0} {} {7.HN} 8.02276 0.04610 0.10514 ++ {0.0} {} 42.1900062561 3.2486 0 {} 0 95 {18.HN} 8.19628 0.03593 0.08214 ++ {0.0} {} {19.HN} 7.83952 0.03502 0.05926 ++ {0.0} {} 136.37449646 14.4876 0 {} 0 96 {18.HN} 8.19713 0.03575 0.04842 ++ {0.0} {} {18.HD1} 7.33014 0.04383 0.07555 ++ {0.0} {} 94.7202224731 10.3544 0 {} 0 97 {7.HN} 8.01628 0.03757 0.03705 ++ {0.0} {} {8.HN} 7.93005 0.06571 0.09388 ++ {0.0} {} 146.1615448 8.5483 0 {} 0 98 {15.HN} 7.82519 0.03727 0.05554 ++ {0.0} {} {16.HN} 7.58413 0.07406 0.09013 ++ {0.0} {} 177.690338135 8.7558 0 {} 0 99 {15.HN} 7.82127 0.03855 0.05336 ++ {0.0} {} {14.HN} 7.67705 0.06571 0.09388 ++ {0.0} {} 189.707794189 8.1368 0 {} 0 100 {13.HN} 8.14135 0.03495 0.03973 ++ {0.0} {} {14.HN} 7.68846 0.06415 0.07836 ++ {0.0} {} 161.806991577 8.6349 0 {} 0 101 {11.HN} 8.12888 0.04393 0.04693 ++ {0.0} {} {10.HN} 7.73733 0.06693 0.07984 ++ {0.0} {} 212.106170654 9.6406 0 {} 0 102 {5.HD21} 7.62196 0.02172 0.03103 ++ {0.0} {} {5.HA} 4.57773 0.04203 0.03714 ++ {0.0} {} 19.846113205 3.1957 0 {} 0 103 {5.HD22} 7.04753 0.00642 0.00916 ++ {0.0} {} {5.HA} 4.57190 0.03646 0.01303 ++ {0.0} {} 6.05811452866 2.1719 0 {} 0 104 {5.HD21} 7.62635 0.02808 0.04170 ++ {0.0} {} {5.HB1} 2.82840 0.10379 0.15530 ++ {0.0} {} 180.336425781 8.4153 0 {} 0 105 {4.HN} 8.35835 0.03477 0.04321 ++ {0.0} {} {3.HA} 4.23904 0.06653 0.08556 ++ {0.0} {} 63.6088943481 4.2878 0 {} 0 106 {4.HN} 8.36024 0.01233 0.01762 ++ {0.0} {} {2.Ha} 4.03949 0.02442 0.03488 ++ {0.0} {} 8.09178066254 1.7563 -1 {} 0 107 {5.HN} 8.28986 0.04242 0.04071 ++ {0.0} {} {4.HA} 4.14952 0.04102 0.05860 ++ {0.0} {} 23.6719608307 2.6662 0 {} 0 108 {5.HN} 8.28341 0.03012 0.04303 ++ {0.0} {} {2.Ha} 4.02905 0.08750 0.06275 ++ {0.0} {} 52.8086700439 2.4488 -1 {} 0 109 {18.HN} 8.19706 0.03071 0.04472 ++ {0.0} {} {17.HA} 4.33314 0.05255 0.10384 ++ {0.0} {} 443.165710449 36.4178 0 {} 0 110 {19.HN} 7.83449 0.02927 0.04341 ++ {0.0} {} {18.HA} 4.58365 0.05019 0.10433 ++ {0.0} {} 522.815856934 44.4594 0 {} 0 111 {19.HN} 7.83056 0.02186 0.02275 ++ {0.0} {} {17.HA} 4.33333 0.05345 0.05635 ++ {0.0} {} 40.8453483582 4.7150 0 {} 0 112 {17.HN} 7.60924 0.03012 0.04303 ++ {0.0} {} {14.HA} 4.20486 0.06342 0.08694 ++ {0.0} {} 97.9063949585 5.9376 0 {} 0 113 {17.HN} 7.61128 0.03215 0.06650 ++ {0.0} {} {16.HA} 4.05746 0.04085 0.10149 ++ {0.0} {} 218.875762939 26.6221 0 {} 0 114 {8.HN} 7.91094 0.03215 0.06650 ++ {0.0} {} {7.HA} 4.06306 0.04085 0.10149 ++ {0.0} {} 65.411491394 26.6221 0 {} 0 115 {14.HN} 7.66227 0.02933 0.04260 ++ {0.0} {} {13.HA} 3.95008 0.08652 0.10997 ++ {0.0} {} 144.137176514 8.7690 0 {} 0 116 {14.HN} 7.65725 0.02464 0.03520 ++ {0.0} {} {10.HA} 4.05494 0.08674 0.11135 ++ {0.0} {} 139.042755127 8.7465 0 {} 0 117 {16.HN} 7.55660 0.03285 0.04471 ++ {0.0} {} {14.HA} 4.21693 0.04357 0.07396 ++ {0.0} {} 79.7349700928 9.3968 0 {} 0 118 {7.HN} 8.01488 0.00750 0.02852 ++ {0.0} {} {5.HA} 4.57034 0.03624 0.04946 ++ {0.0} {} 7.68283367157 2.6297 0 {} 0 119 {8.HN} 7.91083 0.02150 0.03071 ++ {0.0} {} {5.HA} 4.58059 0.05351 0.04271 ++ {0.0} {} 26.3144855499 2.9684 0 {} 0 120 {18.HN} 8.19494 0.03053 0.02637 ++ {0.0} {} {14.HA} 4.21582 0.04063 0.05805 ++ {0.0} {} 20.6184043884 3.0041 0 {} 0 121 {4.HN} 8.35966 0.03104 0.02678 ++ {0.0} {} {4.HD2} 3.19865 0.04143 0.03295 ++ {0.0} {} 9.32811355591 1.5162 0 {} 0 122 {7.HN} 8.01956 0.02416 0.02576 ++ {0.0} {} {5.HB2} 2.83172 0.07959 0.08393 ++ {0.0} {} 29.8693599701 2.0096 0 {} 0 123 {7.HN} 8.02036 0.01480 0.02114 ++ {0.0} {} {7.HE2} 2.93925 0.03767 0.02664 ++ {0.0} {} 6.29305028915 1.4129 0 {} 0 124 {18.HD1} 7.31322 0.02084 0.01637 ++ {0.0} {} {16.HB} 1.92774 0.03915 0.02892 ++ {0.0} {} 6.14930820465 1.4481 0 {} 0 125 {} 7.31501 0.00676 0.00965 ++ {0.0} {} {} 1.80215 0.04922 0.02368 ++ {0.0} {} 4.1633439064 1.2026 0 {} 0 126 {18.HE1} 7.28004 0.00741 0.01058 ++ {0.0} {} {19.HD1} 1.68029 0.03973 0.02142 ++ {0.0} {} 3.49835419655 1.2503 0 {} 0 127 {17.HN} 7.61020 0.04376 0.05867 ++ {0.0} {} {16.HD11} 0.79978 0.04511 0.11632 ++ {0.0} {} 188.789077759 18.1169 0 {} 0 128 {18.HN} 8.19607 0.03490 0.04535 ++ {0.0} {} {16.HG21} 0.79983 0.04743 0.09088 ++ {0.0} {} 66.8119812012 5.7125 0 {} 0 129 {15.HN} 7.82415 0.00821 0.04595 ++ {0.0} {} {16.HD11} 0.80423 0.03986 0.09332 ++ {0.0} {} 15.4705619812 5.4885 0 {} 0 130 {14.HN} 7.66103 0.01369 0.01956 ++ {0.0} {} {16.HG21} 0.80210 0.04556 0.06305 ++ {0.0} {} 26.2474746704 5.7268 0 {} 0 131 {5.HN} 8.27978 0.01609 0.02298 ++ {0.0} {} {4.HB2} 1.88098 0.02684 0.03834 ++ {0.0} {} 21.3461818695 4.5079 0 {} 0 132 {5.HN} 8.28791 0.04445 0.06620 ++ {0.0} {} {4.HG2} 1.70176 0.10952 0.15646 ++ {0.0} {} 138.709442139 3.1872 0 {} 0 133 {18.HZ} 7.17118 0.02721 0.02806 ++ {0.0} {} {16.HD11} 0.80278 0.03590 0.03770 ++ {0.0} {} 24.881280899 3.7560 0 {} 0 134 {16.HN} 7.55427 0.02985 0.03015 ++ {0.0} {} {15.HA} 3.94649 0.03315 0.05238 ++ {0.0} {} 18.6293678284 2.6857 -1 {} 0 135 {11.HN} 8.11966 0.02251 0.01954 ++ {0.0} {} {11.HE1} 2.92508 0.09269 0.08333 ++ {0.0} {} 25.8382701874 2.0154 0 {} 0 136 {10.HN} 7.72020 0.02477 0.02616 ++ {0.0} {} {10.HE2} 2.93027 0.04045 0.04388 ++ {0.0} {} 16.1886329651 2.4947 0 {} 0 137 {14.HN} 7.66109 0.01547 0.03278 ++ {0.0} {} {13.HD2} 3.16041 0.03407 0.06002 ++ {0.0} {} 8.62478065491 1.9120 0 {} 0 138 {} 8.13887 0.02907 0.05550 ++ {0.0} {} {} 4.19849 0.06661 0.04322 ++ {0.0} {} 46.2071914673 2.6402 0 {} 0 139 {12.HN} 7.82682 0.03913 0.09118 ++ {0.0} {} {12.HA} 4.07925 0.05999 0.09181 ++ {0.0} {} 447.792816162 20.2426 0 {} 0 140 {11.HN} 8.12090 0.00904 0.02618 ++ {0.0} {} {12.HN} 7.83213 0.05797 0.09917 ++ {0.0} {} 25.2210197449 6.2495 0 {} 0 141 {13.HN} 8.14250 0.00904 0.02658 ++ {0.0} {} {12.HN} 7.83306 0.05797 0.09423 ++ {0.0} {} 24.4136810303 6.2495 0 {} 0 142 {2.HE1} 2.07368 0.03313 0.04733 ++ {0.0} {} {1.HA} 4.38906 0.06945 0.10108 ++ {0.0} {} 206.303894043 12.4359 0 {} 0 143 {} 7.93383 0.03374 0.05142 ++ {0.0} {} {} 7.25529 0.06665 0.52611 ++ {0.0} {} 50.3479804993 244.9195 -1 {} 0 144 {} 7.79097 0.05120 0.07314 ++ {0.0} {} {} 7.10792 0.05399 0.03950 ++ {0.0} {} 5.79823684692 2.8126 -1 {} 0 145 {9.HN} 7.81106 0.03063 0.04314 ++ {0.0} {} {10.HN} 7.74143 0.04121 0.06789 ++ {0.0} {} 84.7065048218 9.6554 0 {} 0 146 {18.HN} 8.19592 0.03318 0.05084 ++ {0.0} {} {17.HB1} 1.32284 0.05052 0.09952 ++ {0.0} {} 236.268920898 20.4893 0 {} 0 147 {17.HN} 7.61040 0.01679 0.03843 ++ {0.0} {} {16.HG11} 1.51045 0.07273 0.10211 ++ {0.0} {} 58.8414039612 5.9163 0 {} 0 148 {17.HN} 7.60629 0.02308 0.05433 ++ {0.0} {} {16.HG12} 1.19696 0.09585 0.11010 ++ {0.0} {} 99.3686981201 5.3142 0 {} 0 149 {17.HN} 7.60948 0.03915 0.05593 ++ {0.0} {} {16.HB} 1.92399 0.05805 0.13141 ++ {0.0} {} 211.404190063 11.1975 0 {} 0 150 {16.HG12} 1.18239 0.01409 0.01439 ++ {0.0} {} {17.HA} 4.35041 0.03088 0.03182 ++ {0.0} {} 12.6997613907 3.6797 0 {} 0 151 {16.HG11} 1.51787 0.01225 0.03573 ++ {0.0} {} {17.HA} 4.34991 0.04466 0.07693 ++ {0.0} {} 12.5436449051 3.6212 0 {} 0 152 {16.HN} 7.55586 0.00939 0.01341 ++ {0.0} {} {19.HD1} 1.68422 0.04691 0.03419 ++ {0.0} {} 6.74396276474 1.7961 0 {} 0 153 {5.HD22} 7.04452 0.03032 0.02715 ++ {0.0} {} {2.HA} 4.38794 0.03702 0.03202 ++ {0.0} {} 12.3343143463 2.0114 -1 {} 0 154 {14.HN} 7.66043 0.03034 0.06021 ++ {0.0} {} {14.HG} 1.80044 0.07026 0.11730 ++ {0.0} {} 464.334381104 26.0551 0 {} 0 155 {14.HN} 7.65759 0.03034 0.04505 ++ {0.0} {} {13.HB2} 1.92291 0.07026 0.10789 ++ {0.0} {} 180.349838257 26.0551 0 {} 0 156 {14.HN} 7.66043 0.03034 0.04883 ++ {0.0} {} {13.HB1} 1.97525 0.07026 0.10590 ++ {0.0} {} 140.687210083 26.0551 0 {} 0 157 {14.HN} 7.66107 0.02824 0.04206 ++ {0.0} {} {14.HB1} 1.56798 0.12973 0.09636 ++ {0.0} {} 231.356063843 11.7371 0 {} 0 158 {17.HN} 7.61356 0.02219 0.02246 ++ {0.0} {} {18.HB2} 3.00187 0.03538 0.03596 ++ {0.0} {} 7.95727586746 1.4857 0 {} 0 159 {5.HD21} 7.62532 0.02311 0.02226 ++ {0.0} {} {7.HG1} 1.41879 0.02891 0.02760 ++ {0.0} {} 11.7597322464 2.1846 0 {} 0 160 {16.HN} 7.55436 0.01385 0.01978 ++ {0.0} {} {17.HB1} 1.32461 0.03741 0.02197 ++ {0.0} {} 7.22460889816 1.6162 0 {} 0 161 {17.HN} 7.60861 0.01070 0.01529 ++ {0.0} {} {18.HB1} 3.20275 0.05245 0.03169 ++ {0.0} {} 3.5880355835 1.0469 -1 {} 0 162 {17.HN} 7.61293 0.02158 0.02540 ++ {0.0} {} {15.HA} 3.93028 0.03699 0.06053 ++ {0.0} {} 8.05967140198 1.4667 -1 {} 0 163 {14.HN} 7.65922 0.02824 0.05801 ++ {0.0} {} {14.HB2} 1.60160 0.12973 0.08796 ++ {0.0} {} 205.227752686 11.7371 0 {} 0 164 {16.HN} 7.55405 0.03970 0.04589 ++ {0.0} {} {17.HN} 7.62718 0.05104 0.07633 ++ {0.0} {} 426.415588379 76.1727 0 {} 0 165 {17.HN} 7.60351 0.03970 0.06491 ++ {0.0} {} {16.HN} 7.56696 0.05104 0.08838 ++ {0.0} {} 840.22454834 76.1727 0 {} 0 166 {17.HB1} 1.31919 0.02837 0.03780 ++ {0.0} {} {14.HA} 4.19624 0.06350 0.10867 ++ {0.0} {} 184.931732178 12.8885 0 {} 0 167 {17.HB1} 1.31920 0.02592 0.04257 ++ {0.0} {} {16.HA} 4.04960 0.04358 0.11627 ++ {0.0} {} 72.7405090332 10.7598 0 {} 0 168 {3.HB1} 1.41652 0.03017 0.02709 ++ {0.0} {} {4.HA} 4.14867 0.06571 0.09388 ++ {0.0} {} 76.6792144775 4.7374 0 {} 0 169 {3.HB1} 1.42296 0.03139 0.02896 ++ {0.0} {} {2.HA} 4.38770 0.04163 0.05781 ++ {0.0} {} 24.5754375458 3.7023 0 {} 0 170 {17.HB1} 1.32298 0.02494 0.02519 ++ {0.0} {} {15.HA} 3.94223 0.04682 0.04738 ++ {0.0} {} 19.5008487701 2.8886 0 {} 0 171 {17.HB1} 1.32159 0.02340 0.03317 ++ {0.0} {} {18.HA} 4.58058 0.05481 0.08824 ++ {0.0} {} 65.954246521 5.6789 0 {} 0 172 {16.HD11} 0.79804 0.03666 0.05665 ++ {0.0} {} {15.HA} 3.94031 0.04792 0.09388 ++ {0.0} {} 174.705764771 14.4685 0 {} 0 173 {16.HD11} 0.79405 0.03372 0.04076 ++ {0.0} {} {14.HA} 4.20557 0.04922 0.09363 ++ {0.0} {} 94.773979187 7.6890 0 {} 0 174 {16.HD11} 0.79157 0.02885 0.03795 ++ {0.0} {} {17.HA} 4.32906 0.04340 0.06322 ++ {0.0} {} 60.4051933289 8.0455 0 {} 0 175 {12.HD11} 0.95335 0.03553 0.05085 ++ {0.0} {} {12.HA} 4.07429 0.06365 0.09347 ++ {0.0} {} 475.43963623 27.6072 0 {} 0 176 {12.HD21} 0.89919 0.03553 0.04311 ++ {0.0} {} {12.HA} 4.07429 0.06365 0.09347 ++ {0.0} {} 997.034057617 27.6072 -1 {} 0 177 {} 0.95596 0.02776 0.02754 ++ {0.0} {} {} 4.56824 0.04146 0.04085 ++ {0.0} {} 34.2324829102 5.4945 -1 {} 0 178 {} 0.90243 0.01314 0.01877 ++ {0.0} {} {} 4.56913 0.04137 0.02443 ++ {0.0} {} 14.591550827 3.1642 -1 {} 0 179 {14.HD11} 0.90886 0.01917 0.03719 ++ {0.0} {} {14.HA} 4.18971 0.04767 0.11929 ++ {0.0} {} 161.438461304 21.9677 0 {} 0 180 {14.HD21} 0.87316 0.03384 0.06650 ++ {0.0} {} {14.HA} 4.19121 0.04226 0.12310 ++ {0.0} {} 469.897155762 63.2968 -1 {} 0 181 {} 2.81427 0.06336 0.07286 ++ {0.0} {} {} 4.25814 0.02597 0.06769 ++ {0.0} {} 0.891454875469 9.6886 0 {} 0 182 {2.HB3} 2.02748 0.05750 0.08214 ++ {0.0} {} {2.HA} 4.39613 0.04112 0.08057 ++ {0.0} {} 239.046356201 14.1763 0 {} 0 183 {10.HB} 1.97886 0.04107 0.05867 ++ {0.0} {} {13.HA} 3.95354 0.07687 0.11991 ++ {0.0} {} 460.313537598 16.7835 0 {} 0 184 {10.HB} 1.98687 0.09090 0.08379 ++ {0.0} {} {10.HA} 4.05218 0.04782 0.11412 ++ {0.0} {} 627.98815918 20.7821 0 {} 0 185 {1.HB2} 2.46055 0.02981 0.03015 ++ {0.0} {} {1.HD2} 3.37590 0.04478 0.04554 ++ {0.0} {} 26.3542404175 3.6295 0 {} 0 186 {1.HG2} 2.01987 0.05992 0.11249 ++ {0.0} {} {1.HD2} 3.36933 0.03576 0.08839 ++ {0.0} {} 304.169372559 21.9274 0 {} 0 187 {9.HN} 7.82278 0.03012 0.04303 ++ {0.0} {} {8.HN} 7.92420 0.06571 0.09388 ++ {0.0} {} 360.546905518 18.9802 0 {} 0 188 {8.HN} 7.90938 0.03012 0.04303 ++ {0.0} {} {9.HN} 7.83760 0.06571 0.09388 ++ {0.0} {} 315.006530762 18.9802 0 {} 0 189 {7.HN} 8.01528 0.05750 0.08214 ++ {0.0} {} {9.HN} 7.83897 0.04604 0.05912 ++ {0.0} {} 130.709411621 6.2285 0 {} 0 190 {4.HN} 8.35424 0.01299 0.01856 ++ {0.0} {} {3.HB1} 1.41873 0.05280 0.03868 ++ {0.0} {} 26.4152030945 3.5185 0 {} 0 191 {} 7.62532 0.02311 0.02226 ++ {0.0} {} {} 1.41879 0.02891 0.02760 ++ {0.0} {} 11.7597322464 2.1846 -1 {} 0 192 {6.HN} 8.08612 0.04660 0.10335 ++ {0.0} {} {7.HN} 8.04062 0.06543 0.13670 ++ {0.0} {} 145.156646729 50.7444 0 {} 0 193 {7.HN} 8.01481 0.02957 0.02149 ++ {0.0} {} {7.HG2} 1.39459 0.06122 0.04129 ++ {0.0} {} 25.2972393036 2.6912 0 {} 0 194 {7.HN} 8.01571 0.03444 0.08229 ++ {0.0} {} {7.HB1} 1.82538 0.12047 0.17211 ++ {0.0} {} 512.811462402 17.3066 0 {} 0 195 {7.HN} 8.01357 0.03444 0.06843 ++ {0.0} {} {7.HB2} 1.69208 0.12047 0.07780 ++ {0.0} {} 265.186706543 17.3066 0 {} 0 196 {7.HN} 8.01565 0.03831 0.11343 ++ {0.0} {} {7.HB2} 1.62969 0.07228 0.10326 ++ {0.0} {} 309.785552979 14.5175 0 {} 0 197 {5.HB1} 2.83539 0.03012 0.04303 ++ {0.0} {} {2.HA} 4.38918 0.05199 0.03831 ++ {0.0} {} 29.5244312286 2.2595 0 {} 0 198 {5.HB2} 2.80003 0.03677 0.03235 ++ {0.0} {} {2.HA} 4.38655 0.05922 0.04826 ++ {0.0} {} 39.982006073 2.4083 0 {} 0 199 {5.HB1} 2.84695 0.01961 0.03365 ++ {0.0} {} {6.HA} 4.02225 0.01842 0.04951 ++ {0.0} {} 11.5376195908 1.7642 0 {} 0 200 {5.HB2} 2.80727 0.00411 0.01974 ++ {0.0} {} {6.HA} 4.01249 0.01266 0.02788 ++ {0.0} {} 1.52135932446 1.5214 0 {} 0 201 {18.HB1} 3.19903 0.03088 0.04759 ++ {0.0} {} {17.HA} 4.33130 0.04597 0.07625 ++ {0.0} {} 17.3896560669 1.8461 0 {} 0 202 {18.HB2} 2.99556 0.02958 0.06642 ++ {0.0} {} {17.HA} 4.32579 0.04028 0.04688 ++ {0.0} {} 12.7086372375 2.3748 0 {} 0 203 {2.HG2} 2.61243 0.00953 0.02988 ++ {0.0} {} {3.HA} 4.22300 0.03336 0.05252 ++ {0.0} {} 2.77407956123 0.9485 0 {} 0 204 {2.HG2} 2.60687 0.02829 0.02713 ++ {0.0} {} {6.HA} 4.01407 0.04315 0.06164 ++ {0.0} {} 13.8278417587 2.1304 0 {} 0 205 {17.HB1} 1.32406 0.02375 0.02809 ++ {0.0} {} {18.HB1} 3.19940 0.07640 0.09376 ++ {0.0} {} 41.0883483887 3.2739 0 {} 0 206 {17.HB1} 1.32581 0.03918 0.05122 ++ {0.0} {} {18.HB2} 2.96970 0.05310 0.13197 ++ {0.0} {} 104.223747253 5.7757 0 {} 0 207 {19.HE1} 2.91071 0.03120 0.04458 ++ {0.0} {} {19.HA} 4.20796 0.03935 0.03281 ++ {0.0} {} 22.0187187195 1.9579 0 {} 0 208 {10.HE2} 2.91074 0.06181 0.04688 ++ {0.0} {} {10.HA} 4.05922 0.09144 0.09887 ++ {0.0} {} 204.27053833 8.9801 0 {} 0 209 {6.HE1} 2.93521 0.06181 0.04337 ++ {0.0} {} {6.HA} 4.02530 0.09144 0.06009 ++ {0.0} {} 229.39541626 8.9801 0 {} 0 210 {7.HE2} 2.93215 0.06181 0.03419 ++ {0.0} {} {7.HA} 4.08147 0.09144 0.05373 ++ {0.0} {} 155.991653442 8.9801 0 {} 0 211 {11.HE1} 2.93428 0.00988 0.03155 ++ {0.0} {} {11.HA} 3.99796 0.02490 0.05867 ++ {0.0} {} 18.4337406158 2.2850 0 {} 0 212 {16.HG12} 1.18361 0.01803 0.04061 ++ {0.0} {} {16.HA} 4.01897 0.05037 0.13426 ++ {0.0} {} 127.123825073 17.3370 0 {} 0 213 {16.HG21} 0.79357 0.03751 0.04472 ++ {0.0} {} {18.HD1} 7.31650 0.03818 0.11763 ++ {0.0} {} 53.2272987366 6.2668 0 {} 0 214 {16.HG21} 0.79466 0.03454 0.06051 ++ {0.0} {} {17.HN} 7.58507 0.08344 0.15525 ++ {0.0} {} 536.508666992 26.6368 0 {} 0 215 {16.HD11} 0.79341 0.03328 0.04089 ++ {0.0} {} {15.HN} 7.83466 0.07811 0.10480 ++ {0.0} {} 98.2169113159 6.6131 0 {} 0 216 {16.HD11} 0.79817 0.02689 0.03141 ++ {0.0} {} {13.HN} 8.16466 0.05840 0.07784 ++ {0.0} {} 66.0390777588 5.1373 0 {} 0 217 {16.HG21} 0.79250 0.02689 0.03141 ++ {0.0} {} {18.HN} 8.20064 0.05840 0.07784 ++ {0.0} {} 64.7713165283 5.1373 0 {} 0 218 {17.HA} 4.32206 0.03764 0.04429 ++ {0.0} {} {18.HN} 8.21313 0.04016 0.05398 ++ {0.0} {} 25.5689964294 2.7847 0 {} 0 219 {17.HA} 4.31653 0.03668 0.04332 ++ {0.0} {} {17.HN} 7.62074 0.05750 0.08429 ++ {0.0} {} 44.4990310669 2.6567 0 {} 0 220 {14.HA} 4.19992 0.04099 0.03464 ++ {0.0} {} {17.HN} 7.57499 0.06571 0.09388 ++ {0.0} {} 60.7656784058 3.0300 0 {} 0 221 {14.HA} 4.18464 0.04452 0.06417 ++ {0.0} {} {14.HN} 7.67235 0.06709 0.12574 ++ {0.0} {} 102.788520813 5.0522 0 {} 0 222 {19.HA} 4.21004 0.03935 0.07177 ++ {0.0} {} {19.HN} 7.83678 0.05052 0.09796 ++ {0.0} {} 75.4364242554 4.8200 0 {} 0 223 {16.HA} 4.04641 0.04067 0.07674 ++ {0.0} {} {17.HN} 7.61658 0.10599 0.15646 ++ {0.0} {} 429.095214844 14.5426 0 {} 0 224 {10.HA} 4.05621 0.03909 0.08671 ++ {0.0} {} {10.HN} 7.73212 0.06047 0.15646 ++ {0.0} {} 178.175033569 8.9804 0 {} 0 225 {12.HA} 4.10074 0.03510 0.04725 ++ {0.0} {} {12.HN} 7.84483 0.03371 0.08639 ++ {0.0} {} 66.5191650391 6.6863 0 {} 0 226 {7.HA} 4.06510 0.04770 0.05133 ++ {0.0} {} {8.HN} 7.92678 0.05564 0.06993 ++ {0.0} {} 73.4421310425 4.0271 0 {} 0 227 {8.HA} 3.99283 0.05152 0.06229 ++ {0.0} {} {8.HN} 7.92503 0.06471 0.12775 ++ {0.0} {} 241.86932373 10.8093 0 {} 0 228 {7.HA} 4.06804 0.03012 0.04303 ++ {0.0} {} {7.HN} 8.03122 0.03890 0.04656 ++ {0.0} {} 40.8453941345 4.4428 0 {} 0 229 {6.HA} 4.01137 0.03012 0.04303 ++ {0.0} {} {7.HN} 8.03214 0.04445 0.05079 ++ {0.0} {} 40.6630554199 4.1604 0 {} 0 230 {11.HA} 4.00974 0.06845 0.06683 ++ {0.0} {} {11.HN} 8.14205 0.07508 0.15156 ++ {0.0} {} 454.411560059 14.7785 0 {} 0 231 {13.HA} 3.93687 0.04690 0.07676 ++ {0.0} {} {13.HN} 8.15277 0.04814 0.10284 ++ {0.0} {} 217.112808228 11.7064 0 {} 0 232 {12.HA} 4.05512 0.04690 0.07676 ++ {0.0} {} {13.HN} 8.15277 0.04814 0.10284 ++ {0.0} {} 162.781219482 11.7064 0 {} 0 233 {13.HA} 3.93252 0.04336 0.05672 ++ {0.0} {} {14.HN} 7.67442 0.08836 0.15646 ++ {0.0} {} 149.874053955 6.4229 0 {} 0 234 {15.HA} 3.95470 0.04655 0.06650 ++ {0.0} {} {15.HN} 7.82984 0.06121 0.15646 ++ {0.0} {} 243.877792358 11.3094 0 {} 0 235 {11.HA} 3.99292 0.03012 0.04303 ++ {0.0} {} {12.HN} 7.83284 0.06571 0.09388 ++ {0.0} {} 147.976516724 8.3794 0 {} 0 236 {12.HA} 4.03750 0.01369 0.03304 ++ {0.0} {} {12.HN} 7.83911 0.07621 0.08066 ++ {0.0} {} 59.5686149597 7.3704 0 {} 0 237 {7.HN} 8.01581 0.02825 0.06194 ++ {0.0} {} {6.HA} 4.01739 0.02855 0.11366 ++ {0.0} {} 73.1303710937 2.4488 0 {} 0 238 {7.HN} 8.01661 0.02825 0.05887 ++ {0.0} {} {6.HA} 4.01449 0.02855 0.09935 ++ {0.0} {} 73.1303710937 2.4488 -1 {} 0 239 {14.HN} 7.65803 0.03457 0.03277 ++ {0.0} {} {11.HA} 4.01015 0.10581 0.06610 ++ {0.0} {} 136.515594482 19.8680 0 {} 0 240 {15.HN} 7.81733 0.01766 0.02797 ++ {0.0} {} {15.HE2} 2.93369 0.05487 0.08661 ++ {0.0} {} 30.8243503571 1.2246 0 {} 0 241 {19.HN} 7.83553 0.01766 0.03448 ++ {0.0} {} {19.HE2} 2.96707 0.05487 0.10697 ++ {0.0} {} 75.5395584106 1.2246 0 {} 0 242 {9.HN} 7.83370 0.00821 0.03329 ++ {0.0} {} {8.HB2} 1.53636 0.10952 0.15646 ++ {0.0} {} 84.0868988037 11.7974 0 {} 0 243 {15.HN} 7.81094 0.00821 0.03186 ++ {0.0} {} {14.HB1} 1.53498 0.10952 0.12808 ++ {0.0} {} 89.1556015015 9.6823 0 {} 0 244 {9.HN} 7.81548 0.03484 0.04184 ++ {0.0} {} {10.HD2} 1.67612 0.10467 0.15646 ++ {0.0} {} 522.696655273 24.7369 0 {} 0 245 {19.HN} 7.83468 0.03484 0.04047 ++ {0.0} {} {19.HD1} 1.67495 0.10467 0.15646 ++ {0.0} {} 543.051696777 24.7369 0 {} 0 246 {12.HN} 7.83251 0.04030 0.03932 ++ {0.0} {} {12.HG} 1.78951 0.11959 0.15646 ++ {0.0} {} 580.071655273 24.9841 0 {} 0 247 {15.HN} 7.81377 0.04030 0.03568 ++ {0.0} {} {14.HG} 1.79420 0.11959 0.15646 ++ {0.0} {} 545.721191406 24.9841 0 {} 0 248 {15.HN} 7.81680 0.03247 0.04814 ++ {0.0} {} {16.HB} 1.91550 0.09218 0.15903 ++ {0.0} {} 828.476501465 43.7462 0 {} 0 249 {12.HN} 7.83463 0.03247 0.04813 ++ {0.0} {} {11.HB2} 1.91667 0.09218 0.15646 ++ {0.0} {} 637.16796875 43.7462 0 {} 0 250 {19.HN} 7.83168 0.03033 0.03913 ++ {0.0} {} {18.HB2} 3.01213 0.04632 0.08570 ++ {0.0} {} 68.4163360596 7.7093 0 {} 0 251 {19.HN} 7.83278 0.03022 0.04118 ++ {0.0} {} {18.HB1} 3.20419 0.05511 0.11117 ++ {0.0} {} 129.352279663 10.0066 0 {} 0 252 {15.HN} 7.82481 0.03558 0.07158 ++ {0.0} {} {14.HA} 4.20626 0.05454 0.09922 ++ {0.0} {} 332.163116455 20.2426 0 {} 0 253 {4.HB1} 1.85736 0.08507 0.08555 ++ {0.0} {} {4.HA} 4.14489 0.06571 0.09388 ++ {0.0} {} 869.26159668 17.7511 0 {} 0 254 {4.HG1} 1.70192 0.08562 0.11343 ++ {0.0} {} {4.HA} 4.14692 0.05730 0.10269 ++ {0.0} {} 681.421936035 15.2416 0 {} 0 255 {8.HD11} 0.92638 0.02464 0.02531 ++ {0.0} {} {8.HA} 4.00070 0.10989 0.11815 ++ {0.0} {} 723.36505127 38.3741 0 {} 0 256 {8.HD21} 0.88287 0.02930 0.03763 ++ {0.0} {} {8.HA} 4.00515 0.10343 0.11857 ++ {0.0} {} 1784.48974609 88.0003 0 {} 0 257 {9.HD11} 0.84292 0.03012 0.04303 ++ {0.0} {} {9.HA} 4.01545 0.06808 0.11625 ++ {0.0} {} 754.518920898 51.1777 0 {} 0 258 {19.HG1} 1.53340 0.08562 0.11343 ++ {0.0} {} {19.HA} 4.20846 0.05730 0.11083 ++ {0.0} {} 673.200134277 15.2416 0 {} 0 259 {19.HB1} 1.92512 0.09005 0.10183 ++ {0.0} {} {19.HA} 4.21365 0.09825 0.12116 ++ {0.0} {} 1161.73706055 20.3885 0 {} 0 260 {19.HD1} 1.67652 0.05343 0.10561 ++ {0.0} {} {19.HA} 4.21224 0.09619 0.13738 ++ {0.0} {} 703.86126709 20.4407 0 {} 0 261 {11.HN} 8.11582 0.05695 0.03375 ++ {0.0} {} {11.HD1} 1.67692 0.10952 0.15646 ++ {0.0} {} 614.546691895 26.4381 0 {} 0 262 {11.HN} 8.11444 0.00821 0.01173 ++ {0.0} {} {11.HB2} 1.79096 0.06571 0.09388 ++ {0.0} {} 176.825424194 16.3185 0 {} 0 263 {6.HN} 8.09027 0.01161 0.01940 ++ {0.0} {} {6.HG2} 1.54274 0.03698 0.08947 ++ {0.0} {} 22.5883483887 3.1479 0 {} 0 264 {6.HN} 8.09350 0.01917 0.02738 ++ {0.0} {} {6.HB1} 1.89009 0.10258 0.19857 ++ {0.0} {} 283.627380371 15.5078 0 {} 0 265 {6.HN} 8.08942 0.01012 0.02330 ++ {0.0} {} {7.HG1} 1.40224 0.03563 0.08847 ++ {0.0} {} 9.21041965485 2.8021 0 {} 0 266 {4.HN} 8.35571 0.03035 0.02971 ++ {0.0} {} {4.HG1} 1.70257 0.16556 0.15025 ++ {0.0} {} 85.4648208618 2.8021 0 {} 0 267 {18.HN} 8.20094 0.03559 0.05085 ++ {0.0} {} {19.HD1} 1.68730 0.06033 0.10211 ++ {0.0} {} 131.039703369 8.0356 0 {} 0 268 {18.HN} 8.20009 0.03559 0.05085 ++ {0.0} {} {19.HB1} 1.90263 0.06033 0.10211 ++ {0.0} {} 183.475982666 8.0356 0 {} 0 269 {13.HN} 8.14185 0.05067 0.03667 ++ {0.0} {} {12.HD21} 0.88162 0.08145 0.22936 ++ {0.0} {} 365.99887085 18.2614 0 {} 0 270 {11.HN} 8.12120 0.05067 0.05217 ++ {0.0} {} {12.HD21} 0.86922 0.08145 0.17380 ++ {0.0} {} 478.007446289 18.2614 0 {} 0 271 {13.HN} 8.13604 0.05695 0.04441 ++ {0.0} {} {13.HG1} 1.67692 0.10952 0.28169 ++ {0.0} {} 908.849365234 26.4381 0 {} 0 272 {11.HN} 8.11435 0.00821 0.02413 ++ {0.0} {} {11.HB2} 1.89078 0.06571 0.17590 ++ {0.0} {} 119.816497803 16.3185 0 {} 0 273 {6.HN} 8.09103 0.03234 0.03425 ++ {0.0} {} {7.HD2} 1.67536 0.16453 0.14168 ++ {0.0} {} 286.620697021 18.8980 0 {} 0 274 {7.HN} 8.01515 0.03198 0.04516 ++ {0.0} {} {8.HD11} 0.91342 0.09705 0.12250 ++ {0.0} {} 235.086013794 11.1901 0 {} 0 275 {7.HN} 8.01534 0.03234 0.05435 ++ {0.0} {} {8.HB1} 1.61129 0.16453 0.21904 ++ {0.0} {} 458.293426514 18.8980 0 {} 0 276 {8.HN} 7.91048 0.03234 0.05435 ++ {0.0} {} {7.HB2} 1.64214 0.16453 0.21904 ++ {0.0} {} 561.097961426 18.8980 0 {} 0 277 {8.HN} 7.91094 0.03166 0.06513 ++ {0.0} {} {8.HG} 1.79355 0.08867 0.14216 ++ {0.0} {} 537.696166992 30.2640 0 {} 0 278 {8.HN} 7.91238 0.05202 0.07432 ++ {0.0} {} {6.HB2} 1.91128 0.06942 0.10940 ++ {0.0} {} 269.602508545 9.6640 0 {} 0 279 {7.HN} 8.01649 0.03300 0.05670 ++ {0.0} {} {6.HB2} 1.87825 0.05735 0.11348 ++ {0.0} {} 264.30670166 15.8329 0 {} 0 280 {8.HN} 7.90966 0.03300 0.05670 ++ {0.0} {} {8.HD21} 0.89830 0.05735 0.11348 ++ {0.0} {} 260.732421875 15.8329 0 {} 0 281 {14.HN} 7.66022 0.03128 0.08554 ++ {0.0} {} {14.HD21} 0.88873 0.08698 0.14133 ++ {0.0} {} 300.430755615 17.1571 0 {} 0 282 {10.HN} 7.72118 0.03380 0.04264 ++ {0.0} {} {9.HD11} 0.89175 0.10376 0.12219 ++ {0.0} {} 155.838348389 6.4863 0 {} 0 283 {10.HN} 7.72566 0.02931 0.03007 ++ {0.0} {} {10.HG2} 1.44783 0.08661 0.08859 ++ {0.0} {} 80.0172576904 4.6080 0 {} 0 284 {10.HN} 7.72218 0.01954 0.04660 ++ {0.0} {} {9.HB2} 1.63753 0.10148 0.18850 ++ {0.0} {} 197.683395386 9.2807 0 {} 0 285 {10.HN} 7.72149 0.03012 0.05427 ++ {0.0} {} {12.HG} 1.80453 0.06571 0.11440 ++ {0.0} {} 152.385681152 9.3309 0 {} 0 286 {10.HN} 7.72580 0.04329 0.06294 ++ {0.0} {} {11.HB2} 1.91976 0.11484 0.14177 ++ {0.0} {} 589.530212402 20.2074 0 {} 0 287 {10.HN} 7.72583 0.04329 0.05769 ++ {0.0} {} {10.HB1} 1.98668 0.11484 0.11925 ++ {0.0} {} 458.065155029 20.2074 0 {} 0 288 {12.HN} 7.81803 0.03059 0.04683 ++ {0.0} {} {12.HD21} 0.88975 0.09064 0.10705 ++ {0.0} {} 210.686019897 12.5198 0 {} 0 289 {9.HN} 7.83157 0.03059 0.03909 ++ {0.0} {} {9.HD11} 0.88975 0.09064 0.08211 ++ {0.0} {} 183.982376099 12.5198 0 {} 0 290 {14.HB1} 1.50464 0.02631 0.04196 ++ {0.0} {} {14.HA} 4.19293 0.06823 0.11281 ++ {0.0} {} 193.34954834 2.6583 0 {} 0 291 {1.HA} 4.37826 0.04488 0.04802 ++ {0.0} {} {2.HG2} 2.60365 0.06995 0.08281 ++ {0.0} {} 20.4027500153 2.9987 0 {} 0 292 {1.HA} 4.37771 0.04098 0.05429 ++ {0.0} {} {1.HB2} 2.05845 0.08489 0.10959 ++ {0.0} {} 46.3247375488 3.4523 0 {} 0 293 {17.HA} 4.30392 0.03199 0.06955 ++ {0.0} {} {17.HB1} 1.33020 0.10207 0.19455 ++ {0.0} {} 145.40486145 9.6180 0 {} 0 294 {3.HA} 4.24623 0.03583 0.07288 ++ {0.0} {} {3.HB1} 1.41566 0.06945 0.22939 ++ {0.0} {} 90.75756073 18.9923 0 {} 0 295 {} 4.09817 0.04510 0.04984 ++ {0.0} {} {} 1.33471 0.08043 0.08157 ++ {0.0} {} 70.6685943604 10.8804 -1 {} 0 296 {16.HA} 4.05459 0.03964 0.06832 ++ {0.0} {} {16.HG21} 0.79088 0.18472 0.24098 ++ {0.0} {} 838.36126709 11.5353 0 {} 0 297 {12.HA} 4.08157 0.03514 0.05021 ++ {0.0} {} {12.HD11} 0.93046 0.08175 0.06350 ++ {0.0} {} 410.074371338 2.0010 0 {} 0 298 {9.HA} 4.00254 0.05184 0.07373 ++ {0.0} {} {9.HD11} 0.87694 0.13033 0.18603 ++ {0.0} {} 1512.33569336 4.2590 0 {} 0 299 {16.HA} 4.04395 0.04532 0.04332 ++ {0.0} {} {16.HG11} 1.53493 0.07809 0.16327 ++ {0.0} {} 223.874313354 2.4042 0 {} 0 300 {} 3.79340 0.01407 0.02010 ++ {0.0} {} {} 1.51891 0.06471 0.05368 ++ {0.0} {} -2.48543787003 2.0912 -1 {} 0 301 {19.HA} 4.21213 0.02645 0.02459 ++ {0.0} {} {19.HB1} 1.92625 0.09033 0.08064 ++ {0.0} {} 205.942642212 2.2107 0 {} 0 302 {14.HA} 4.18291 0.02464 0.03520 ++ {0.0} {} {14.HG} 1.80661 0.10697 0.11469 ++ {0.0} {} 172.511123657 2.6383 0 {} 0 303 {14.HA} 4.17697 0.01343 0.03457 ++ {0.0} {} {14.HB2} 1.58471 0.10282 0.08410 ++ {0.0} {} 72.5887451172 1.6081 0 {} 0 304 {} 3.97307 0.04733 0.05965 ++ {0.0} {} {} 1.45875 0.18617 0.26839 ++ {0.0} {} 338.800323486 17.3812 -1 {} 0 305 {8.HA} 4.01522 0.05202 0.04528 ++ {0.0} {} {8.HB2} 1.52532 0.11406 0.22616 ++ {0.0} {} 276.515594482 11.5206 0 {} 0 306 {11.HA} 3.94856 0.04107 0.05867 ++ {0.0} {} {11.HD1} 1.67809 0.19130 0.15858 ++ {0.0} {} 752.869445801 8.5719 0 {} 0 307 {10.HA} 4.01379 0.03012 0.04303 ++ {0.0} {} {10.HG2} 1.41264 0.09594 0.13065 ++ {0.0} {} 120.722671509 3.6124 0 {} 0 308 {6.HA} 4.01748 0.05202 0.07432 ++ {0.0} {} {6.HB1} 1.89377 0.11406 0.10656 ++ {0.0} {} 1718.8260498 11.5206 0 {} 0 309 {4.HA} 4.09262 0.04733 0.05182 ++ {0.0} {} {4.HG2} 1.66915 0.18617 0.15141 ++ {0.0} {} 671.233398437 17.3812 0 {} 0 310 {11.HA} 3.94966 0.04107 0.05867 ++ {0.0} {} {11.HB2} 1.91256 0.19130 0.16560 ++ {0.0} {} 1227.79455566 8.5719 0 {} 0 311 {6.HA} 4.01059 0.06845 0.04742 ++ {0.0} {} {6.HD2} 1.68430 0.13143 0.08890 ++ {0.0} {} 919.159851074 9.5175 0 {} 0 312 {16.HA} 4.05908 0.04532 0.03854 ++ {0.0} {} {16.HB} 1.93988 0.07809 0.19702 ++ {0.0} {} 591.994873047 2.4042 0 {} 0 313 {} 3.84493 0.04532 0.04430 ++ {0.0} {} {} 1.19747 0.07809 0.07668 ++ {0.0} {} 8.28042316437 2.4042 -1 {} 0 314 {} 3.63715 0.02049 0.03344 ++ {0.0} {} {} 0.87660 0.08935 0.18220 ++ {0.0} {} -3.81780314445 7.8118 -1 {} 0 315 {13.HA} 3.93764 0.01369 0.05748 ++ {0.0} {} {10.HB2} 1.97693 0.09736 0.11919 ++ {0.0} {} 224.635604858 7.4988 0 {} 0 316 {} 3.62390 0.02141 0.03520 ++ {0.0} {} {} 1.13266 0.08025 0.18399 ++ {0.0} {} -42.8905220032 16.0281 -1 {} 0 317 {} 3.59773 0.01349 0.02581 ++ {0.0} {} {} 1.13085 0.09427 0.18396 ++ {0.0} {} -14.2325191498 7.7497 -1 {} 0 318 {7.HE1} 2.96409 0.04710 0.06925 ++ {0.0} {} {7.HG1} 1.33924 0.07216 0.18893 ++ {0.0} {} 387.759399414 103.2276 0 {} 0 319 {19.HE1} 2.96058 0.03904 0.05361 ++ {0.0} {} {19.HD1} 1.67067 0.09763 0.13947 ++ {0.0} {} 1255.73596191 260.5712 0 {} 0 320 {7.HE1} 2.94984 0.05862 0.06213 ++ {0.0} {} {6.HB2} 1.88717 0.13143 0.11933 ++ {0.0} {} 499.619140625 43.4920 0 {} 0 321 {} 2.78969 0.01917 0.02738 ++ {0.0} {} {} 1.72998 0.06675 0.10880 ++ {0.0} {} 65.3366622925 20.1930 -1 {} 0 322 {} 2.77190 0.01917 0.02738 ++ {0.0} {} {} 1.72926 0.06835 0.11224 ++ {0.0} {} 74.920135498 20.8713 -1 {} 0 323 {} 2.80582 0.01369 0.01956 ++ {0.0} {} {} 1.72805 0.07085 0.11312 ++ {0.0} {} 0.332794308662 18.5140 -1 {} 0 324 {} 2.78908 0.04259 0.05907 ++ {0.0} {} {} 0.57227 0.08379 0.19169 ++ {0.0} {} 31.000951767 35.9016 -1 {} 0 325 {6.HE2} 2.87429 0.04259 0.05907 ++ {0.0} {} {6.HG2} 1.51716 0.08379 0.19169 ++ {0.0} {} 212.091293335 35.9016 0 {} 0 326 {11.HE2} 2.92692 0.03889 0.04114 ++ {0.0} {} {11.HB2} 1.94739 0.08169 0.12870 ++ {0.0} {} 214.86730957 43.3836 0 {} 0 327 {2.HG1} 2.61298 0.03889 0.06327 ++ {0.0} {} {2.HB1} 2.03850 0.08169 0.22143 ++ {0.0} {} 354.858642578 43.3836 0 {} 0 328 {1.HB1} 2.46110 0.05119 0.09803 ++ {0.0} {} {1.HG1} 2.00590 0.11647 0.21598 ++ {0.0} {} 1522.44189453 30.4994 0 {} 0 329 {16.HB} 1.92788 0.05360 0.08411 ++ {0.0} {} {16.HG21} 0.79132 0.06526 0.11077 ++ {0.0} {} 1110.12060547 24.6830 0 {} 0 330 {} 1.74419 0.05550 0.08519 ++ {0.0} {} {} 0.57220 0.08151 0.12486 ++ {0.0} {} 70.5841598511 15.9570 -1 {} 0 331 {14.HG} 1.80097 0.06499 0.14104 ++ {0.0} {} {14.HD21} 0.88219 0.10834 0.23707 ++ {0.0} {} 5576.31689453 90.3983 0 {} 0 332 {16.HG11} 1.51580 0.05411 0.08972 ++ {0.0} {} {16.HD11} 0.79873 0.06616 0.10470 ++ {0.0} {} 529.666564941 17.8967 0 {} 0 333 {12.HG} 1.75143 0.05411 0.09371 ++ {0.0} {} {12.HD21} 0.92000 0.06616 0.21645 ++ {0.0} {} 2361.45019531 17.8967 0 {} 0 334 {9.HB2} 1.64631 0.05411 0.08972 ++ {0.0} {} {9.HD11} 0.90418 0.06616 0.23754 ++ {0.0} {} 1471.03723145 17.8967 0 {} 0 335 {16.HD11} 0.80154 0.03572 0.06009 ++ {0.0} {} {16.HB} 1.91856 0.06876 0.15443 ++ {0.0} {} 1299.06274414 49.6033 0 {} 0 336 {16.HD11} 0.81018 0.03182 0.06647 ++ {0.0} {} {16.HG11} 1.50533 0.10631 0.22724 ++ {0.0} {} 805.47052002 42.5918 0 {} 0 337 {16.HD11} 0.80519 0.02880 0.08246 ++ {0.0} {} {16.HG12} 1.18978 0.09768 0.23292 ++ {0.0} {} 504.751953125 61.1993 0 {} 0 338 {} 0.78531 0.01765 0.02704 ++ {0.0} {} {} 1.08168 0.04851 0.07559 ++ {0.0} {} -241.571578979 16.9138 0 {} 0 339 {14.HD21} 0.85382 0.01917 0.02738 ++ {0.0} {} {14.HG} 1.77030 0.17737 0.30217 ++ {0.0} {} 1576.62915039 53.8465 0 {} 0 340 {12.HD21} 0.92139 0.03502 0.06988 ++ {0.0} {} {12.HG} 1.75391 0.18504 0.28867 ++ {0.0} {} 4291.09082031 124.0957 0 {} 0 341 {} 0.89278 0.04326 0.05651 ++ {0.0} {} {} 1.19381 0.06999 0.09821 ++ {0.0} {} -706.718505859 12.5168 -1 {} 0 342 {} 0.90361 0.06104 0.05584 ++ {0.0} {} {} 1.31108 0.07244 0.06713 ++ {0.0} {} -309.888031006 6.9602 -1 {} 0 343 {} 0.96102 0.04926 0.04723 ++ {0.0} {} {} 1.25177 0.07258 0.06997 ++ {0.0} {} -202.848495483 7.2105 -1 {} 0 344 {} 0.96315 0.02806 0.04923 ++ {0.0} {} {} 1.71706 0.13065 0.32182 ++ {0.0} {} 844.141418457 36.5474 0 {} 0 345 {14.HD21} 0.88985 0.03502 0.12811 ++ {0.0} {} {14.HG} 1.77500 0.18504 0.39057 ++ {0.0} {} 6436.50244141 124.0957 0 {} 0 346 {} 1.58861 0.05067 0.04922 ++ {0.0} {} {} 3.18071 0.08121 0.07898 ++ {0.0} {} 217.946395874 7.2708 0 {} 0 347 {8.HB1} 1.59869 0.05115 0.09779 ++ {0.0} {} {8.HG} 1.81308 0.07754 0.14958 ++ {0.0} {} 1980.46411133 27.3187 0 {} 0 348 {16.HB} 1.90698 0.09413 0.09630 ++ {0.0} {} {16.HG11} 1.51281 0.13143 0.18775 ++ {0.0} {} 3120.8515625 19.0633 0 {} 0 349 {3.HB1} 1.41683 0.07940 0.10201 ++ {0.0} {} {4.HB2} 1.88932 0.13143 0.14048 ++ {0.0} {} 1577.48413086 15.0405 0 {} 0 350 {1.HD1} 3.37020 0.03647 0.05836 ++ {0.0} {} {1.HB1} 2.45111 0.08127 0.16313 ++ {0.0} {} 88.6898422241 22.4030 0 {} 0 351 {1.HD2} 3.36684 0.04856 0.08165 ++ {0.0} {} {1.HG1} 2.02556 0.09646 0.22651 ++ {0.0} {} 817.347229004 82.2858 0 {} 0 352 {7.HA} 4.11229 0.03379 0.03243 ++ {0.0} {} {7.HE1} 2.94970 0.07978 0.07474 ++ {0.0} {} 43.6600189209 7.0265 0 {} 0 353 {6.HA} 4.01858 0.05442 0.07774 ++ {0.0} {} {6.HE1} 2.94752 0.09186 0.04681 ++ {0.0} {} 208.688461304 5.0120 0 {} 0 354 {8.HA} 3.95252 0.01597 0.06814 ++ {0.0} {} {10.HN} 7.73434 0.07603 0.08073 ++ {0.0} {} 60.9698867798 4.7218 0 {} 0 355 {} 3.32511 0.01363 0.02344 ++ {0.0} {} {} 9.09471 0.05959 0.10829 ++ {0.0} {} 129.456359863 10.7176 -1 {} 0 356 {} 3.17004 0.01669 0.02912 ++ {0.0} {} {} 9.57175 0.07713 0.18897 ++ {0.0} {} -6.44206762314 10.6170 -1 {} 0 357 {18.HB1} 3.22257 0.01917 0.02738 ++ {0.0} {} {18.HN} 8.19975 0.09608 0.20464 ++ {0.0} {} 58.1011276245 7.2753 -1 {} 0 358 {18.HB1} 3.19844 0.02555 0.07395 ++ {0.0} {} {18.HN} 8.20971 0.08799 0.10185 ++ {0.0} {} 124.530082703 13.6026 0 {} 0 359 {18.HB2} 2.99860 0.05336 0.07577 ++ {0.0} {} {18.HN} 8.23257 0.08814 0.10751 ++ {0.0} {} 198.053161621 11.0241 0 {} 0 360 {} 2.98765 0.05336 0.04895 ++ {0.0} {} {} 8.18764 0.08814 0.15092 ++ {0.0} {} 125.182662964 11.0241 -1 {} 0 361 {19.HE1} 2.98033 0.01907 0.02481 ++ {0.0} {} {19.HN} 7.84526 0.08171 0.08005 ++ {0.0} {} 45.0014648437 2.8458 0 {} 0 362 {19.HE2} 2.94783 0.01907 0.03848 ++ {0.0} {} {19.HN} 7.83018 0.08171 0.07620 ++ {0.0} {} 28.6589317322 2.8458 -1 {} 0 363 {16.HB} 1.93019 0.04667 0.06090 ++ {0.0} {} {16.HN} 7.55516 0.06714 0.09193 ++ {0.0} {} 317.852661133 3.8808 0 {} 0 364 {11.HB2} 1.91779 0.04176 0.06907 ++ {0.0} {} {12.HN} 7.82061 0.10809 0.11606 ++ {0.0} {} 789.809692383 2.5665 0 {} 0 365 {12.HG} 1.77959 0.03877 0.07281 ++ {0.0} {} {12.HN} 7.83125 0.08396 0.20983 ++ {0.0} {} 441.952362061 14.9837 0 {} 0 366 {14.HG} 1.80633 0.03206 0.04579 ++ {0.0} {} {14.HN} 7.65663 0.05536 0.02632 ++ {0.0} {} 205.678985596 1.6056 0 {} 0 367 {19.HD1} 1.69084 0.05528 0.08673 ++ {0.0} {} {19.HN} 7.82852 0.09149 0.21320 ++ {0.0} {} 554.541503906 13.8528 0 {} 0 368 {17.HB1} 1.32387 0.04445 0.05278 ++ {0.0} {} {19.HN} 7.84554 0.08850 0.08544 ++ {0.0} {} 205.367828369 10.0233 0 {} 0 369 {17.HB1} 1.32759 0.02876 0.05008 ++ {0.0} {} {17.HN} 7.61800 0.17332 0.24794 ++ {0.0} {} 672.525146484 53.0836 0 {} 0 370 {} 1.20045 0.01913 0.02791 ++ {0.0} {} {} 8.34591 0.05273 0.07956 ++ {0.0} {} -8.44629764557 4.9829 -1 {} 0 371 {16.HD11} 0.79842 0.03033 0.05423 ++ {0.0} {} {16.HN} 7.56240 0.07153 0.13573 ++ {0.0} {} 344.75680542 10.6126 0 {} 0 372 {} 4.21119 0.01369 0.03162 ++ {0.0} {} {} 1.42136 0.04272 0.08514 ++ {0.0} {} 28.9134998322 6.2648 0 {} 0 373 {3.HA} 4.21429 0.01917 0.05849 ++ {0.0} {} {6.HG2} 1.51900 0.06571 0.09388 ++ {0.0} {} 66.3171005249 4.9590 0 {} 0 374 {3.HA} 4.21514 0.01917 0.06379 ++ {0.0} {} {4.HG2} 1.68474 0.04550 0.08018 ++ {0.0} {} 39.6613311768 6.1422 0 {} 0 375 {4.HA} 4.14226 0.03559 0.05085 ++ {0.0} {} {6.HG2} 1.57271 0.09208 0.11966 ++ {0.0} {} 137.23878479 5.2191 0 {} 0 376 {4.HA} 4.13571 0.01917 0.02738 ++ {0.0} {} {4.HG1} 1.70941 0.06207 0.15646 ++ {0.0} {} 95.9370803833 7.1391 0 {} 0 377 {4.HA} 4.13730 0.03841 0.06041 ++ {0.0} {} {4.HB2} 1.86519 0.12074 0.14225 ++ {0.0} {} 414.408599854 12.7095 0 {} 0 378 {8.HA} 3.99405 0.06189 0.07257 ++ {0.0} {} {8.HG} 1.79148 0.11618 0.15646 ++ {0.0} {} 1771.4276123 43.1727 0 {} 0 379 {14.HA} 4.18235 0.04596 0.12949 ++ {0.0} {} {14.HD21} 0.88080 0.05618 0.12007 ++ {0.0} {} 353.735839844 17.1972 0 {} 0 380 {13.HA} 3.93024 0.03921 0.06043 ++ {0.0} {} {16.HD11} 0.80190 0.03791 0.06428 ++ {0.0} {} 80.4817886353 8.3758 0 {} 0 381 {10.HE2} 2.92512 0.05259 0.04177 ++ {0.0} {} {9.HD11} 0.89336 0.05522 0.09393 ++ {0.0} {} 257.047729492 10.4352 0 {} 0 382 {15.HE1} 2.93393 0.05259 0.07302 ++ {0.0} {} {14.HD11} 0.89615 0.05522 0.09393 ++ {0.0} {} 295.092926025 10.4352 0 {} 0 383 {13.HD1} 3.15003 0.03321 0.04745 ++ {0.0} {} {14.HD21} 0.88813 0.03600 0.05144 ++ {0.0} {} 42.8988990784 4.3867 0 {} 0 384 {13.HD2} 3.17964 0.02219 0.03170 ++ {0.0} {} {14.HD11} 0.92357 0.09674 0.08486 ++ {0.0} {} 85.9688415527 4.7049 0 {} 0 385 {14.HD21} 0.87418 0.01101 0.01573 ++ {0.0} {} {13.HD2} 3.15130 0.04258 0.02452 ++ {0.0} {} 14.2312316895 4.8930 0 {} 0 386 {12.HD11} 0.91198 0.03467 0.04820 ++ {0.0} {} {11.HE2} 2.93474 0.04633 0.07782 ++ {0.0} {} 142.227172852 11.5079 0 {} 0 387 {14.HD21} 0.88116 0.03467 0.04820 ++ {0.0} {} {15.HE1} 2.94871 0.04633 0.07782 ++ {0.0} {} 125.526451111 11.5079 0 {} 0 388 {7.HG1} 1.41310 0.06863 0.15255 ++ {0.0} {} {7.HE1} 2.94915 0.05949 0.10042 ++ {0.0} {} 553.595214844 18.5619 0 {} 0 389 {19.HG1} 1.54317 0.08308 0.12908 ++ {0.0} {} {19.HE1} 2.94599 0.05730 0.10253 ++ {0.0} {} 677.699279785 19.3568 0 {} 0 390 {6.HD2} 1.68012 0.07353 0.08756 ++ {0.0} {} {6.HE2} 2.87694 0.05557 0.13262 ++ {0.0} {} 1221.88745117 61.0102 0 {} 0 391 {11.HB2} 1.89378 0.06782 0.09427 ++ {0.0} {} {11.HE2} 2.94400 0.05572 0.08824 ++ {0.0} {} 387.009490967 12.5871 0 {} 0 392 {13.HB1} 1.98566 0.03674 0.05249 ++ {0.0} {} {13.HD2} 3.15372 0.04685 0.04200 ++ {0.0} {} 83.3033905029 6.3131 0 {} 0 393 {4.HB2} 1.86431 0.07624 0.14120 ++ {0.0} {} {4.HD2} 3.17964 0.06641 0.11377 ++ {0.0} {} 649.674865723 15.1821 0 {} 0 394 {4.HG1} 1.71880 0.09192 0.18384 ++ {0.0} {} {4.HD1} 3.17235 0.09450 0.13117 ++ {0.0} {} 1041.36169434 17.0890 0 {} 0 395 {4.HG1} 1.73099 0.02073 0.02961 ++ {0.0} {} {5.HB2} 2.79410 0.04248 0.06068 ++ {0.0} {} 33.8766937256 5.3031 0 {} 0 396 {7.HD2} 1.68746 0.07353 0.21188 ++ {0.0} {} {7.HE2} 2.94125 0.05557 0.12290 ++ {0.0} {} 2014.5020752 61.0102 0 {} 0 397 {2.HB1} 2.07521 0.02323 0.08104 ++ {0.0} {} {2.HG1} 2.60761 0.02943 0.05244 ++ {0.0} {} 188.50668335 31.8939 0 {} 0 398 {1.HG1} 2.01801 0.06001 0.08992 ++ {0.0} {} {1.HB1} 2.46223 0.04175 0.10072 ++ {0.0} {} 676.112304687 45.2369 0 {} 0 399 {} 2.07437 0.02228 0.02230 ++ {0.0} {} {} 4.03485 0.03362 0.03365 ++ {0.0} {} 37.9553375244 6.9740 -1 {} 0 400 {7.HG1} 1.33377 0.03756 0.06132 ++ {0.0} {} {7.HB1} 1.65502 0.04641 0.11188 ++ {0.0} {} 567.749755859 43.3021 0 {} 0 401 {16.HD11} 0.79974 0.02464 0.03520 ++ {0.0} {} {14.HG} 1.78936 0.10952 0.15646 ++ {0.0} {} 290.481689453 13.2446 0 {} 0 402 {19.HE1} 2.94406 0.05004 0.07489 ++ {0.0} {} {19.HG1} 1.54579 0.11305 0.15646 ++ {0.0} {} 987.226074219 24.2833 0 {} 0 403 {5.HB1} 2.86818 0.07022 0.08114 ++ {0.0} {} {6.HD2} 1.67861 0.05952 0.12757 ++ {0.0} {} 715.24432373 71.8449 0 {} 0 404 {} 2.77638 0.01940 0.01722 ++ {0.0} {} {} 1.73892 0.03692 0.05275 ++ {0.0} {} 39.9521560669 7.3494 -1 {} 0 405 {18.HB1} 3.19899 0.01917 0.05851 ++ {0.0} {} {19.HN} 7.84615 0.03216 0.08787 ++ {0.0} {} 33.8774452209 4.9663 0 {} 0 406 {18.HB2} 3.01366 0.02839 0.04854 ++ {0.0} {} {19.HN} 7.84653 0.03328 0.07185 ++ {0.0} {} 28.70470047 6.1662 0 {} 0 407 {13.HD1} 3.14500 0.04555 0.06488 ++ {0.0} {} {13.HN} 8.15286 0.04130 0.05739 ++ {0.0} {} 49.7887458801 4.6767 0 {} 0 408 {5.HB2} 2.80531 0.09009 0.07545 ++ {0.0} {} {5.HD21} 7.64521 0.04537 0.06016 ++ {0.0} {} 70.8552246094 4.2352 0 {} 0 409 {5.HB1} 2.84218 0.09009 0.06823 ++ {0.0} {} {5.HD21} 7.64637 0.04537 0.06016 ++ {0.0} {} 63.0860900879 4.2352 0 {} 0 410 {18.HB1} 3.20299 0.02464 0.09865 ++ {0.0} {} {18.HD2} 7.32635 0.04470 0.09893 ++ {0.0} {} 94.0006942749 12.1297 0 {} 0 411 {18.HB2} 2.99527 0.05631 0.08626 ++ {0.0} {} {18.HD2} 7.32695 0.04723 0.09898 ++ {0.0} {} 196.702423096 10.8590 0 {} 0 412 {10.HB1} 1.99538 0.05750 0.08214 ++ {0.0} {} {10.HN} 7.73219 0.10282 0.15646 ++ {0.0} {} 334.45803833 7.1636 0 {} 0 413 {11.HB2} 1.90653 0.06319 0.12126 ++ {0.0} {} {10.HN} 7.73588 0.06571 0.09388 ++ {0.0} {} 461.253417969 14.4792 0 {} 0 414 {16.HG11} 1.50546 0.06566 0.09104 ++ {0.0} {} {17.HN} 7.57692 0.08867 0.11031 ++ {0.0} {} 280.792907715 7.9839 0 {} 0 415 {19.HG1} 1.53438 0.05403 0.08751 ++ {0.0} {} {19.HN} 7.83473 0.07329 0.10887 ++ {0.0} {} 293.943634033 9.2617 0 {} 0 416 {7.HB2} 1.64040 0.08597 0.15255 ++ {0.0} {} {8.HN} 7.92452 0.06571 0.09388 ++ {0.0} {} 475.492340088 13.6975 0 {} 0 417 {8.HG} 1.79172 0.06435 0.17602 ++ {0.0} {} {8.HN} 7.92419 0.06571 0.09388 ++ {0.0} {} 651.38470459 21.1677 0 {} 0 418 {6.HB2} 1.91376 0.00821 0.06380 ++ {0.0} {} {8.HN} 7.92200 0.06571 0.11222 ++ {0.0} {} 46.4719352722 6.6714 0 {} 0 419 {13.HB1} 1.98266 0.06297 0.08996 ++ {0.0} {} {13.HN} 8.14946 0.05356 0.10004 ++ {0.0} {} 335.109405518 11.4877 0 {} 0 420 {13.HB2} 1.88410 0.07393 0.10561 ++ {0.0} {} {13.HN} 8.14342 0.09031 0.15646 ++ {0.0} {} 686.411621094 15.6642 0 {} 0 421 {12.HG} 1.78932 0.05769 0.13690 ++ {0.0} {} {11.HN} 8.14473 0.07434 0.19302 ++ {0.0} {} 892.727783203 31.6206 0 {} 0 422 {13.HG1} 1.67229 0.09607 0.12908 ++ {0.0} {} {13.HN} 8.14559 0.07959 0.18053 ++ {0.0} {} 927.019714355 22.1005 0 {} 0 423 {8.HB1} 1.62066 0.05763 0.07737 ++ {0.0} {} {7.HN} 8.02870 0.05143 0.09388 ++ {0.0} {} 210.260726929 8.2871 0 {} 0 424 {7.HD2} 1.71695 0.07393 0.10561 ++ {0.0} {} {7.HN} 8.02979 0.04308 0.05852 ++ {0.0} {} 138.246948242 6.9520 0 {} 0 425 {4.HB1} 1.81478 0.09028 0.11343 ++ {0.0} {} {7.HN} 8.02986 0.05459 0.09388 ++ {0.0} {} 374.462860107 9.4261 0 {} 0 426 {6.HB2} 1.89105 0.01917 0.02738 ++ {0.0} {} {7.HN} 8.03038 0.04564 0.06037 ++ {0.0} {} 41.809879303 6.5837 0 {} 0 427 {9.HB2} 1.66945 0.03012 0.04303 ++ {0.0} {} {10.HN} 7.73378 0.06571 0.09388 ++ {0.0} {} 162.429092407 8.6141 0 {} 0 428 {14.HG} 1.79451 0.08934 0.17602 ++ {0.0} {} {14.HN} 7.67754 0.06711 0.11843 ++ {0.0} {} 692.108642578 17.2047 0 {} 0 429 {17.HB1} 1.31989 0.02951 0.04626 ++ {0.0} {} {18.HN} 8.20998 0.04677 0.10034 ++ {0.0} {} 176.33215332 17.6305 0 {} 0 430 {14.HB2} 1.58572 0.05403 0.08751 ++ {0.0} {} {14.HN} 7.67618 0.07329 0.10887 ++ {0.0} {} 268.201385498 9.2617 0 {} 0 431 {10.HG2} 1.44917 0.03161 0.04516 ++ {0.0} {} {10.HN} 7.73763 0.06153 0.04231 ++ {0.0} {} 54.2973709106 3.3978 0 {} 0 432 {16.HG12} 1.18945 0.06394 0.07059 ++ {0.0} {} {16.HN} 7.58253 0.07676 0.08030 ++ {0.0} {} 186.992767334 5.7213 0 {} 0 433 {16.HG12} 1.20202 0.03284 0.03890 ++ {0.0} {} {17.HN} 7.60883 0.05605 0.06766 ++ {0.0} {} 92.4569473267 5.4801 0 {} 0 434 {14.HD11} 0.90968 0.03012 0.04303 ++ {0.0} {} {14.HN} 7.67552 0.07392 0.12347 ++ {0.0} {} 240.90045166 14.3859 0 {} 0 435 {14.HD21} 0.87332 0.03820 0.04303 ++ {0.0} {} {14.HN} 7.67393 0.08320 0.21904 ++ {0.0} {} 299.728546143 17.3176 -1 {} 0 436 {12.HD11} 0.91513 0.02464 0.05674 ++ {0.0} {} {12.HN} 7.83435 0.06571 0.11719 ++ {0.0} {} 135.686981201 9.0595 0 {} 0 437 {9.HD11} 0.87905 0.03158 0.09314 ++ {0.0} {} {9.HN} 7.83314 0.10952 0.15646 ++ {0.0} {} 320.363708496 14.4919 0 {} 0 438 {8.HD11} 0.92657 0.03559 0.05085 ++ {0.0} {} {8.HN} 7.92451 0.06491 0.11568 ++ {0.0} {} 219.262451172 11.8088 0 {} 0 439 {8.HD21} 0.88172 0.02761 0.05638 ++ {0.0} {} {8.HN} 7.92497 0.06881 0.15646 ++ {0.0} {} 222.775543213 16.6744 0 {} 0 440 {8.HD11} 0.95411 0.02987 0.03669 ++ {0.0} {} {7.HN} 8.02892 0.04480 0.06044 ++ {0.0} {} 54.5322151184 6.8493 0 {} 0 441 {8.HD21} 0.89869 0.03807 0.05590 ++ {0.0} {} {7.HN} 8.02921 0.05276 0.09388 ++ {0.0} {} 157.401062012 9.1866 0 {} 0 442 {14.HD21} 0.88238 0.03495 0.05867 ++ {0.0} {} {13.HN} 8.14470 0.06879 0.10367 ++ {0.0} {} 387.629180908 23.3109 0 {} 0 443 {14.HD21} 0.84387 0.03012 0.04303 ++ {0.0} {} {13.HN} 8.14513 0.06579 0.11592 ++ {0.0} {} 238.986114502 17.2943 0 {} 0 444 {8.HB2} 1.53757 0.00845 0.02845 ++ {0.0} {} {10.HN} 7.73694 0.01592 0.04485 ++ {0.0} {} 7.90314626694 2.6615 0 {} 0 445 {4.HB1} 1.84562 0.07196 0.05137 ++ {0.0} {} {2.HN} 7.76632 0.10952 0.07821 ++ {0.0} {} 168.731903076 20.6820 0 {} 0 446 {4.HB1} 1.83080 0.01124 0.05048 ++ {0.0} {} {2.HN} 7.76808 0.02035 0.07186 ++ {0.0} {} 6.00162029266 2.8769 0 {} 0 447 {10.HD2} 1.64328 0.01369 0.03025 ++ {0.0} {} {10.HN} 7.73411 0.03986 0.08148 ++ {0.0} {} 36.6516838074 7.6950 0 {} 0 448 {4.HA} 4.13829 0.03719 0.04201 ++ {0.0} {} {4.HD1} 3.18797 0.04354 0.04759 ++ {0.0} {} 29.8053970337 3.1467 0 {} 0 449 {13.HA} 3.93324 0.03790 0.07486 ++ {0.0} {} {13.HD2} 3.15676 0.04739 0.10197 ++ {0.0} {} 121.986824036 8.7611 0 {} 0 450 {5.HB2} 2.82660 0.02464 0.03520 ++ {0.0} {} {8.HD11} 0.93739 0.06408 0.06482 ++ {0.0} {} 49.1509628296 2.8907 0 {} 0 451 {2.HG2} 2.60474 0.03488 0.05201 ++ {0.0} {} {4.HB1} 1.88839 0.06327 0.09237 ++ {0.0} {} 95.1090774536 5.2045 0 {} 0 452 {2.HG2} 2.60296 0.02788 0.03024 ++ {0.0} {} {4.HG1} 1.70994 0.04509 0.05028 ++ {0.0} {} 21.7784099579 3.2250 0 {} 0 453 {2.HG2} 2.60355 0.03695 0.04068 ++ {0.0} {} {3.HB1} 1.41553 0.05282 0.06186 ++ {0.0} {} 46.5697364807 3.4436 0 {} 0 454 {19.HE2} 2.99620 0.04894 0.08098 ++ {0.0} {} {18.HB1} 3.20653 0.04911 0.12285 ++ {0.0} {} 1314.89880371 70.0419 0 {} 0 455 {4.HB2} 1.88564 0.04326 0.04833 ++ {0.0} {} {2.HG2} 2.60757 0.04184 0.04819 ++ {0.0} {} 32.0499610901 3.3655 0 {} 0 456 {3.HB1} 1.41896 0.02668 0.02842 ++ {0.0} {} {2.HG2} 2.60998 0.04460 0.05153 ++ {0.0} {} 21.2608909607 3.3791 0 {} 0 457 {7.HA} 4.02305 0.03359 0.03630 ++ {0.0} {} {10.HN} 7.74099 0.06933 0.07690 ++ {0.0} {} 98.0492782593 2.6503 0 {} 0 458 {9.HA} 3.99785 0.01229 0.04163 ++ {0.0} {} {10.HN} 7.73614 0.01586 0.09181 ++ {0.0} {} 15.7350330353 2.6503 0 {} 0 459 {6.HA} 4.01126 0.01305 0.01012 ++ {0.0} {} {2.HG2} 2.61103 0.05276 0.02721 ++ {0.0} {} 5.84297180176 1.2307 0 {} 0 460 {3.HB1} 1.42165 0.00618 0.00882 ++ {0.0} {} {4.HN} 8.38733 0.06243 0.03620 ++ {0.0} {} 4.34736061096 1.2861 0 {} 0 461 {12.HD11} 0.95836 0.01827 0.02246 ++ {0.0} {} {11.HE2} 2.91539 0.05453 0.07974 ++ {0.0} {} 34.8014259338 4.2171 -1 {} 0 462 {8.HD11} 0.93199 0.01917 0.02738 ++ {0.0} {} {5.HB2} 2.82305 0.08832 0.09085 ++ {0.0} {} 34.7511978149 2.9390 0 {} 0 463 {8.HD11} 0.89780 0.02871 0.03115 ++ {0.0} {} {5.HB1} 2.80507 0.05191 0.05915 ++ {0.0} {} 42.7749214172 3.3163 0 {} 0 464 {} 0.95361 0.03168 0.03218 ++ {0.0} {} {} 2.85337 0.06571 0.09388 ++ {0.0} {} 51.7758331299 2.9572 0 {} 0 465 {} 0.89520 0.03467 0.03070 ++ {0.0} {} {} 2.86438 0.10634 0.06492 ++ {0.0} {} 71.308807373 11.5079 0 {} 0 466 {5.HB2} 2.77638 0.01940 0.02791 ++ {0.0} {} {4.HG1} 1.73892 0.06567 0.15646 ++ {0.0} {} 89.0402069092 7.3494 0 {} 0 467 {9.HN} 7.82602 0.02680 0.04674 ++ {0.0} {} {9.HA} 4.00503 0.04850 0.15646 ++ {0.0} {} 219.313598633 23.5042 0 {} 0 468 {14.HG} 1.79807 0.09090 0.14472 ++ {0.0} {} {14.HA} 4.19049 0.04782 0.11412 ++ {0.0} {} 640.040771484 20.7821 0 {} 0 469 {8.HG} 1.78954 0.06263 0.07734 ++ {0.0} {} {8.HA} 4.00791 0.10531 0.19436 ++ {0.0} {} 2669.62133789 61.9506 0 {} 0 470 {10.HD2} 1.62679 0.10360 0.09790 ++ {0.0} {} {9.HA} 4.05269 0.14253 0.19891 ++ {0.0} {} 2927.35107422 43.5434 0 {} 0 471 {7.HD2} 1.67316 0.10360 0.10468 ++ {0.0} {} {6.HA} 4.01656 0.14253 0.22867 ++ {0.0} {} 3971.60961914 43.5434 0 {} 0 472 {6.HG2} 1.51846 0.08488 0.07799 ++ {0.0} {} {6.HA} 4.02866 0.12398 0.10840 ++ {0.0} {} 1003.60650635 13.1618 0 {} 0 473 {11.HB2} 1.90296 0.08488 0.08027 ++ {0.0} {} {11.HA} 3.96916 0.12398 0.15512 ++ {0.0} {} 3529.81958008 13.1618 0 {} 0 474 {7.HG2} 1.41555 0.08488 0.12126 ++ {0.0} {} {6.HA} 4.02016 0.12398 0.19045 ++ {0.0} {} 979.528808594 13.1618 0 {} 0 475 {11.HA} 3.95344 0.02324 0.02055 ++ {0.0} {} {8.HB2} 1.54966 0.06233 0.05421 ++ {0.0} {} 80.0253601074 7.7051 0 {} 0 476 {4.HA} 4.09447 0.04591 0.02771 ++ {0.0} {} {4.HB1} 1.80250 0.11246 0.11069 ++ {0.0} {} 264.205688477 16.1924 0 {} 0 477 {8.HA} 3.99568 0.01369 0.01956 ++ {0.0} {} {8.HB2} 1.54707 0.03274 0.04678 ++ {0.0} {} 43.5132522583 9.6486 0 {} 0 478 {12.HA} 4.05957 0.05210 0.04259 ++ {0.0} {} {12.HG} 1.81563 0.07741 0.09280 ++ {0.0} {} 505.843078613 39.3652 0 {} 0 479 {6.HA} 4.06141 0.04591 0.05867 ++ {0.0} {} {7.HD2} 1.63709 0.11246 0.12382 ++ {0.0} {} 720.868347168 16.1924 0 {} 0 480 {10.HA} 4.07021 0.00985 0.01550 ++ {0.0} {} {10.HG2} 1.46661 0.03717 0.09025 ++ {0.0} {} 13.0080928802 4.6526 0 {} 0 481 {10.HA} 4.06693 0.00502 0.01939 ++ {0.0} {} {11.HD2} 1.74836 0.03717 0.10250 ++ {0.0} {} 7.55303621292 4.6526 0 {} 0 482 {5.HB1} 2.86832 0.01917 0.02738 ++ {0.0} {} {4.HB2} 1.91540 0.10570 0.08899 ++ {0.0} {} 44.5160865784 2.9494 0 {} 0 483 {11.HE1} 2.92006 0.01369 0.03838 ++ {0.0} {} {10.HG2} 1.43054 0.06571 0.17705 ++ {0.0} {} 159.679321289 5.5040 0 {} 0 484 {10.HE2} 2.92352 0.04831 0.04110 ++ {0.0} {} {11.HD1} 1.67633 0.04411 0.19886 ++ {0.0} {} 634.569763184 169.9414 0 {} 0 485 {7.HG2} 1.41746 0.05086 0.06510 ++ {0.0} {} {8.HD11} 0.91097 0.08449 0.11398 ++ {0.0} {} 223.406570435 8.2662 0 {} 0 486 {17.HB1} 1.31608 0.02217 0.03200 ++ {0.0} {} {16.HD11} 0.79435 0.04900 0.10374 ++ {0.0} {} 111.555702209 13.2194 0 {} 0 487 {14.HB2} 1.59253 0.01369 0.02983 ++ {0.0} {} {14.HD21} 0.89119 0.06571 0.19390 ++ {0.0} {} 343.495178223 7.9276 0 {} 0 488 {16.HG11} 1.50047 0.01369 0.03022 ++ {0.0} {} {16.HG12} 1.19325 0.06571 0.09388 ++ {0.0} {} 166.102020264 7.0686 0 {} 0 489 {13.HB1} 1.98424 0.03012 0.04303 ++ {0.0} {} {13.HG1} 1.67982 0.04071 0.05816 ++ {0.0} {} 293.220611572 29.3226 0 {} 0 490 {4.HB1} 1.88233 0.06297 0.08996 ++ {0.0} {} {4.HG1} 1.69580 0.10952 0.15646 ++ {0.0} {} 4291.99316406 69.9936 0 {} 0 491 {6.HG2} 1.53512 0.04655 0.06650 ++ {0.0} {} {6.HB2} 1.90658 0.06745 0.07226 ++ {0.0} {} 1403.89685059 43.6743 0 {} 0 492 {7.HG2} 1.40762 0.07020 0.07553 ++ {0.0} {} {7.HD2} 1.69441 0.06224 0.06947 ++ {0.0} {} 1580.34716797 45.7872 0 {} 0 493 {7.HG1} 1.40513 0.05920 0.06570 ++ {0.0} {} {6.HG2} 1.54581 0.08915 0.09673 ++ {0.0} {} 1833.88903809 48.4087 0 {} 0 494 {8.HG} 1.78951 0.01369 0.01956 ++ {0.0} {} {7.HB2} 1.67975 0.10952 0.15646 ++ {0.0} {} 2514.25634766 161.8215 0 {} 0 495 {19.HG1} 1.54610 0.03559 0.05085 ++ {0.0} {} {19.HD1} 1.69089 0.03185 0.04550 ++ {0.0} {} 1104.921875 98.7585 0 {} 0 496 {4.HG2} 1.70049 0.03492 0.03305 ++ {0.0} {} {4.HB2} 1.88715 0.10670 0.08937 ++ {0.0} {} 1387.64257812 65.7914 0 {} 0 497 {7.HD2} 1.70269 0.02679 0.03857 ++ {0.0} {} {7.HG2} 1.42356 0.06571 0.09388 ++ {0.0} {} 880.048156738 108.9464 0 {} 0 498 {18.HB1} 3.19371 0.02464 0.08025 ++ {0.0} {} {19.HE2} 2.99936 0.05235 0.12916 ++ {0.0} {} 1041.06311035 78.2784 0 {} 0 499 {19.HD1} 1.71536 0.04670 0.04769 ++ {0.0} {} {18.HA} 4.57505 0.04611 0.04682 ++ {0.0} {} 47.6103439331 3.6232 0 {} 0 500 {12.HD11} 0.90371 0.03559 0.03584 ++ {0.0} {} {12.HA} 4.07120 0.03549 0.11228 ++ {0.0} {} 401.127929687 3.3122 0 {} 0 501 {14.HD11} 0.87142 0.03384 0.06650 ++ {0.0} {} {14.HA} 4.19122 0.04226 0.12310 ++ {0.0} {} 464.092346191 63.2968 0 {} 0 502 {9.HD11} 0.84400 0.01470 0.03295 ++ {0.0} {} {8.HA} 3.99348 0.03294 0.08876 ++ {0.0} {} 124.581314087 2.8316 0 {} 0 503 {14.HD21} 0.87289 0.03820 0.04303 ++ {0.0} {} {14.HN} 7.67817 0.08320 0.21904 ++ {0.0} {} 299.728546143 17.3176 0 {} 0 504 {12.HD21} 0.91506 0.03820 0.02618 ++ {0.0} {} {13.HN} 8.14391 0.08320 0.10518 ++ {0.0} {} 129.405151367 17.3176 0 {} 0 505 {13.HD1} 3.14755 0.03118 0.02653 ++ {0.0} {} {14.HN} 7.67533 0.05458 0.04546 ++ {0.0} {} 21.3261756897 1.9565 0 {} 0 506 {15.HE1} 2.94537 0.02464 0.03520 ++ {0.0} {} {15.HN} 7.83862 0.05530 0.05651 ++ {0.0} {} 32.338634491 2.3342 0 {} 0 507 {10.HE2} 2.93321 0.01191 0.03200 ++ {0.0} {} {10.HN} 7.75029 0.04441 0.10342 ++ {0.0} {} 7.55660867691 1.5884 0 {} 0 508 {13.HA} 3.92832 0.03359 0.03209 ++ {0.0} {} {16.HN} 7.58241 0.06933 0.06513 ++ {0.0} {} 45.805606842 2.6503 0 {} 0 509 {10.HN} 7.72205 0.04002 0.06374 ++ {0.0} {} {7.HA} 4.05661 0.10062 0.07491 ++ {0.0} {} 439.1512146 18.7348 0 {} 0 510 {8.HN} 7.91088 0.02116 0.01782 ++ {0.0} {} {7.HG2} 1.42197 0.09217 0.07684 ++ {0.0} {} 21.4691963196 1.9311 0 {} 0 511 {16.HN} 7.55506 0.02985 0.03478 ++ {0.0} {} {13.HA} 3.93425 0.03315 0.04792 ++ {0.0} {} 0.0 2.6857 0 {} 0 512 {11.HA} 3.99780 0.03935 0.04666 ++ {0.0} {} {14.HN} 7.68230 0.05052 0.08200 ++ {0.0} {} 0.0 4.8200 0 {} 0 513 {16.HN} 7.55777 0.03559 0.05085 ++ {0.0} {} {12.HA} 4.06776 0.04335 0.08018 ++ {0.0} {} 0.0 12.6102 0 {} 0 514 {18.HN} 8.19695 0.03012 0.05279 ++ {0.0} {} {15.HA} 3.96302 0.08750 0.09722 ++ {0.0} {} 0.0 2.4488 0 {} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H . . 8012.820 Hz . . . 2345.05 . . 30408 2 2 . . H 1 1H . . 8002.124 Hz . . . 2345.05 . . 30408 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30408 _Spectral_peak_list.ID 3 _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 4 _Spectral_peak_list.Experiment_name '2D 1H-15N HMQC' _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 ; 0 {3.HN} 7.83481 0.05878 0.07625 ++ {0.0} {} {3.N} 122.19593 0.20706 0.55658 ++ {0.0} {} 0.0 6.2477 0 {} 0 1 {6.H} 8.08745 0.04784 0.06834 ++ {0.0} {} {6.N} 118.98769 0.17299 0.39484 ++ {0.0} {} 0.0 5.3446 0 {} 0 2 {18.HN} 8.19307 0.01948 0.06577 ++ {0.0} {} {18.N} 118.68295 0.23841 0.37905 ++ {0.0} {} 0.0 4.2641 0 {} 0 3 {11.HN} 8.12149 0.04677 0.06190 ++ {0.0} {} {11.N} 118.62296 0.15083 0.56756 ++ {0.0} {} 0.0 4.0172 0 {} 0 4 {17.HN} 7.61832 0.08283 0.08605 ++ {0.0} {} {17.N} 121.09300 0.21554 0.61989 ++ {0.0} {} 0.0 5.1896 0 {} 0 5 {2.H} 7.74801 0.07613 0.05880 ++ {0.0} {} {2.N} 118.09000 0.38933 0.41916 ++ {0.0} {} 0.0 7.7575 0 {} 0 6 {3.H} 7.82719 0.03102 0.06881 ++ {0.0} {} {3.N} 118.09206 0.12349 0.46366 ++ {0.0} {} 0.0 4.6083 -1 {} 0 7 {13.HN} 8.13570 0.01532 0.05915 ++ {0.0} {} {13.N} 117.79014 0.09469 0.30759 ++ {0.0} {} 0.0 4.2193 0 {} 0 8 {10.HN} 7.71661 0.03528 0.06152 ++ {0.0} {} {10.N} 118.06465 0.07053 0.50980 ++ {0.0} {} 0.0 3.9516 0 {} 0 9 {14.HN} 7.66636 0.03143 0.07041 ++ {0.0} {} {14.N} 117.93633 0.12206 0.56670 ++ {0.0} {} 0.0 4.3027 0 {} 0 10 {16.HN} 7.55087 0.01739 0.05438 ++ {0.0} {} {16.N} 116.55889 0.13856 0.41198 ++ {0.0} {} 0.0 4.2858 0 {} 0 11 {5.HN} 7.03098 0.03044 0.07461 ++ {0.0} {} {5.ND21} 113.50661 0.11012 0.55639 ++ {0.0} {} 0.0 3.1469 -1 {} 0 12 {5.HN} 7.61260 0.01453 0.09865 ++ {0.0} {} {5.ND2} 113.49188 0.05888 0.56133 ++ {0.0} {} 0.0 3.1789 -1 {} 0 13 {7.HN} 8.00837 0.08730 0.09647 ++ {0.0} {} {7.N} 119.14181 0.33836 0.38722 ++ {0.0} {} 0.0 5.3446 0 {} 0 14 {8.HN} 7.90108 0.07412 0.09937 ++ {0.0} {} {8.N} 117.98891 0.19588 0.54144 ++ {0.0} {} 0.0 4.6083 0 {} 0 15 {5.HN} 8.26385 0.04684 0.04844 ++ {0.0} {} {5.N} 118.00284 0.32317 0.38041 ++ {0.0} {} 0.0 2.2718 0 {} 0 16 {4.H} 8.36837 0.05049 0.04282 ++ {0.0} {} {4.N} 118.88161 0.50620 0.45136 ++ {0.0} {} 0.0 1.8484 0 {} 0 17 {} 7.81638 0.09142 0.12908 ++ {0.0} {} {} 118.07743 0.41009 0.57640 ++ {0.0} {} 0.0 8.3241 -1 {} 0 18 {9.H} 7.81802 0.09155 0.10158 ++ {0.0} {} {9.N} 118.09918 0.41228 0.47913 ++ {0.0} {} 0.0 2.2660 0 {} 0 19 {15.H} 7.81147 0.09155 0.10158 ++ {0.0} {} {15.N} 118.08309 0.41228 0.47913 ++ {0.0} {} 0.0 2.2660 0 {} 0 20 {12.H} 7.81397 0.09155 0.10158 ++ {0.0} {} {12.N} 118.07290 0.41228 0.47913 ++ {0.0} {} 0.0 2.2660 0 {} 0 21 {19.H} 7.82164 0.09155 0.10158 ++ {0.0} {} {19.N} 118.08422 0.41228 0.47913 ++ {0.0} {} 0.0 2.2660 0 {} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H 2 . 12019.230 Hz . . . 2348.05 . . 30408 3 2 . . N 15 15N 1 . 2000.000 Hz . . . 5979.97 . . 30408 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 30408 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _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 ; 0 {} 3.77855 0.00819 0.00933 ++ {0.0} {} {} 68.36266 1.06870 1.18184 ++ {0.0} {} 0.0 3.9315 -1 {} 0 1 {} 3.76591 0.00646 0.00695 ++ {0.0} {} {} 68.39770 1.13855 1.22492 ++ {0.0} {} 0.0 3.8038 -1 {} 0 2 {} 3.59223 0.00843 0.01179 ++ {0.0} {} {} 68.07343 0.85460 1.22651 ++ {0.0} {} 0.0 6.2237 -1 {} 0 3 {9.HA} 4.01814 0.01993 0.02019 ++ {0.0} {} {9.CA} 57.79965 1.26499 1.28915 ++ {0.0} {} 0.0 3.5837 0 {} 0 4 {} 4.18768 0.01114 0.00812 ++ {0.0} {} {} 61.48946 1.10232 0.74007 ++ {0.0} {} 0.0 2.6458 -1 {} 0 5 {} 4.29598 0.00048 0.00068 ++ {0.0} {} {} 60.81266 1.19765 0.07501 ++ {0.0} {} 0.0 1.8145 -1 {} 0 6 {16.HA} 4.04000 0.00298 0.01401 ++ {0.0} {} {16.CA} 61.04000 1.24589 1.75379 ++ {0.0} {} 0.0 2.1687 0 {} 0 7 {12.HA} 4.07016 0.01313 0.01345 ++ {0.0} {} {12.CA} 57.68395 0.78761 1.52740 ++ {0.0} {} 0.0 2.6236 0 {} 0 8 {2.HA} 4.04122 0.00357 0.00918 ++ {0.0} {} {2.CA} 57.81673 1.33178 1.14907 ++ {0.0} {} 0.0 2.2079 0 {} 0 9 {11.Ha} 3.99528 0.01369 0.01956 ++ {0.0} {} {11.Ca} 58.96753 0.74877 1.06967 ++ {0.0} {} 0.0 2.6159 0 {} 0 10 {6.HA} 4.01604 0.00768 0.01453 ++ {0.0} {} {6.CA} 58.91649 1.53341 1.24496 ++ {0.0} {} 0.0 2.4288 0 {} 0 11 {13.Ha} 3.94820 0.00268 0.01498 ++ {0.0} {} {13.Ca} 58.97851 0.40750 1.26818 ++ {0.0} {} 0.0 2.1073 0 {} 0 12 {15.Ha} 3.95949 0.00533 0.00978 ++ {0.0} {} {15.Ca} 57.67041 1.20698 1.17745 ++ {0.0} {} 0.0 2.3722 0 {} 0 13 {4.HA} 4.14000 0.00067 0.01496 ++ {0.0} {} {4.CA} 57.41000 1.37298 0.93338 ++ {0.0} {} 0.0 1.7965 0 {} 0 14 {} 4.08416 0.01369 0.01956 ++ {0.0} {} {} 54.92466 0.95227 1.28977 ++ {0.0} {} 0.0 5.4451 -1 {} 0 15 {} 4.05964 0.00821 0.01373 ++ {0.0} {} {} 55.06645 0.87572 1.80438 ++ {0.0} {} 0.0 4.7094 -1 {} 0 16 {6.HA} 4.09840 0.01439 0.01348 ++ {0.0} {} {6.CA} 57.63486 0.85288 1.46934 ++ {0.0} {} 0.0 3.3858 0 {} 0 17 {19.Ha} 4.08556 0.00794 0.01213 ++ {0.0} {} {19.CA} 57.61801 1.00221 1.74461 ++ {0.0} {} 0.0 2.3358 0 {} 0 18 {17.HA} 4.30993 0.00093 0.00523 ++ {0.0} {} {17.CA} 51.85049 0.90504 0.23914 ++ {0.0} {} 0.0 1.8404 0 {} 0 19 {3.HA} 4.21000 0.00319 0.00716 ++ {0.0} {} {3.CA} 53.09000 0.97731 0.32378 ++ {0.0} {} 0.0 1.8963 0 {} 0 20 {} 2.79059 0.00230 0.00329 ++ {0.0} {} {} 57.47130 1.08379 0.35579 ++ {0.0} {} 0.0 2.1028 -1 {} 0 21 {} 2.77126 0.00290 0.00414 ++ {0.0} {} {} 57.54305 1.22240 0.50340 ++ {0.0} {} 0.0 2.2134 -1 {} 0 22 {} 3.17047 0.00821 0.01173 ++ {0.0} {} {} 56.03605 1.02550 0.45709 ++ {0.0} {} 0.0 2.2617 -1 {} 0 23 {} 3.15598 0.01345 0.01642 ++ {0.0} {} {} 55.94875 1.29983 1.94352 ++ {0.0} {} 0.0 6.4668 -1 {} 0 24 {} 3.32910 0.00772 0.00377 ++ {0.0} {} {} 51.86975 1.01686 0.49579 ++ {0.0} {} 0.0 2.3242 -1 {} 0 25 {} 3.31094 0.00483 0.01068 ++ {0.0} {} {} 51.80779 0.87597 2.23429 ++ {0.0} {} 0.0 37.6612 -1 {} 0 26 {1.HD2} 3.37787 0.04148 0.02311 ++ {0.0} {} {1.CD} 49.49343 0.85511 1.50129 ++ {0.0} {} 0.0 5.8405 -1 {} 0 27 {1.HD2} 3.36068 0.00537 0.03019 ++ {0.0} {} {1.CD} 49.29629 1.07487 1.63522 ++ {0.0} {} 0.0 1.9714 0 {} 0 28 {4.HD1} 3.17231 0.04348 0.02319 ++ {0.0} {} {4.CD} 43.77667 0.96966 0.90042 ++ {0.0} {} 0.0 4.0551 -1 {} 0 29 {4.HD2} 3.18097 0.01369 0.01956 ++ {0.0} {} {4.CD} 43.36655 1.19691 0.77319 ++ {0.0} {} 0.0 2.5962 0 {} 0 30 {5.HB2} 2.81195 0.00821 0.01914 ++ {0.0} {} {5.CB} 38.28597 0.97740 0.71777 ++ {0.0} {} 0.0 16.7403 0 {} 0 31 {19.HE2} 2.96237 0.01917 0.01497 ++ {0.0} {} {19.CE} 41.99483 0.91969 2.46120 ++ {0.0} {} 0.0 26.5404 0 {} 0 32 {6.HE2} 2.92035 0.01369 0.01420 ++ {0.0} {} {6.CE} 41.90952 0.98025 2.12040 ++ {0.0} {} 0.0 21.7771 0 {} 0 33 {} 2.80691 0.00535 0.01386 ++ {0.0} {} {} 41.92741 0.87849 2.35317 ++ {0.0} {} 0.0 2.4578 -1 {} 0 34 {} 1.63184 0.00320 0.00456 ++ {0.0} {} {} 41.83654 1.04195 0.27032 ++ {0.0} {} 0.0 2.0196 -1 {} 0 35 {} 3.22176 0.00179 0.00256 ++ {0.0} {} {} 39.72733 1.01436 0.24598 ++ {0.0} {} 0.0 2.0001 -1 {} 0 36 {18.HB1} 3.19767 0.00437 0.00625 ++ {0.0} {} {18.CB} 39.32897 1.05026 0.60168 ++ {0.0} {} 0.0 2.4632 0 {} 0 37 {5.HB1} 2.86557 0.00410 0.00586 ++ {0.0} {} {5.CB} 38.22242 1.09417 0.48298 ++ {0.0} {} 0.0 2.2554 0 {} 0 38 {18.HB2} 2.98418 0.00278 0.01198 ++ {0.0} {} {18.CB} 39.46043 0.97361 0.81804 ++ {0.0} {} 0.0 2.1495 0 {} 0 39 {} 3.00283 0.00529 0.00756 ++ {0.0} {} {} 41.49998 1.12279 0.62931 ++ {0.0} {} 0.0 2.4420 -1 {} 0 40 {} 2.07007 0.00191 0.00273 ++ {0.0} {} {} 32.95693 1.40026 0.27940 ++ {0.0} {} 0.0 1.9524 0 {} 0 41 {1.HB2} 2.45312 0.01917 0.02738 ++ {0.0} {} {1.CG} 32.41000 0.92277 1.05053 ++ {0.0} {} 0.0 4.0802 0 {} 0 42 {} 2.58488 0.00821 0.01173 ++ {0.0} {} {} 32.37232 1.05702 0.83120 ++ {0.0} {} 0.0 2.8965 -1 {} 0 43 {} 2.47236 0.00319 0.00455 ++ {0.0} {} {} 31.31563 1.23114 0.37036 ++ {0.0} {} 0.0 2.0688 -1 {} 0 44 {2.HB2} 2.44984 0.00160 0.00229 ++ {0.0} {} {2.CB} 32.56710 0.92801 0.14921 ++ {0.0} {} 0.0 1.9113 -1 {} 0 45 {} 2.18095 0.00551 0.00035 ++ {0.0} {} {} 32.82710 0.93996 0.05962 ++ {0.0} {} 0.0 1.8152 -1 {} 0 46 {2.HB1} 2.03887 0.00545 0.00779 ++ {0.0} {} {2.CB} 32.46478 0.82563 1.17947 ++ {0.0} {} 0.0 2.7214 0 {} 0 47 {2.HB2} 1.96272 0.01369 0.01956 ++ {0.0} {} {2.CB} 32.52817 1.43314 1.07788 ++ {0.0} {} 0.0 2.8170 -1 {} 0 48 {14.HG} 1.78870 0.01369 0.01182 ++ {0.0} {} {14.CG} 26.82685 1.32300 0.96809 ++ {0.0} {} 0.0 3.0559 0 {} 0 49 {19.HB2} 1.92457 0.01369 0.01956 ++ {0.0} {} {19.CB} 32.29662 1.20793 0.94857 ++ {0.0} {} 0.0 2.8939 0 {} 0 50 {1.HB1} 2.00971 0.01369 0.01956 ++ {0.0} {} {1.CB} 32.45621 0.62970 0.89958 ++ {0.0} {} 0.0 2.4136 0 {} 0 51 {} 1.93263 0.00491 0.01059 ++ {0.0} {} {} 32.45813 1.41818 1.22604 ++ {0.0} {} 0.0 2.4684 -1 {} 0 52 {} 1.91557 0.01369 0.00938 ++ {0.0} {} {} 32.43359 1.10860 1.27511 ++ {0.0} {} 0.0 3.3357 -1 {} 0 53 {} 1.89484 0.01369 0.01186 ++ {0.0} {} {} 32.54624 1.32361 1.31108 ++ {0.0} {} 0.0 3.4823 -1 {} 0 54 {} 1.88315 0.00841 0.01405 ++ {0.0} {} {} 32.51367 1.47327 1.56561 ++ {0.0} {} 0.0 2.3019 -1 {} 0 55 {} 1.19845 0.00287 0.00410 ++ {0.0} {} {} 34.01004 1.03123 0.44386 ++ {0.0} {} 0.0 2.2396 -1 {} 0 56 {} 1.16258 0.01193 0.01295 ++ {0.0} {} {} 33.64671 0.89140 1.00727 ++ {0.0} {} 0.0 4.0405 -1 {} 0 57 {} 1.52126 0.00774 0.01665 ++ {0.0} {} {} 32.50216 1.17449 2.29979 ++ {0.0} {} 0.0 11.5098 -1 {} 0 58 {} 1.22189 0.01369 0.01956 ++ {0.0} {} {} 31.10089 1.83118 2.38634 ++ {0.0} {} 0.0 7.7320 -1 {} 0 59 {} 1.19112 0.02346 0.03863 ++ {0.0} {} {} 31.45825 1.38720 2.70234 ++ {0.0} {} 0.0 23.7465 -1 {} 0 60 {} 1.71637 0.01917 0.02738 ++ {0.0} {} {} 29.46385 1.31505 1.91054 ++ {0.0} {} 0.0 5.0290 -1 {} 0 61 {13.HG1} 1.67083 0.01369 0.02655 ++ {0.0} {} {13.CG} 29.24115 1.16976 1.35723 ++ {0.0} {} 0.0 5.9738 0 {} 0 62 {} 1.65817 0.00821 0.01173 ++ {0.0} {} {} 29.37368 1.25287 1.82906 ++ {0.0} {} 0.0 5.4701 0 {} 0 63 {} 1.64728 0.00821 0.01173 ++ {0.0} {} {} 29.23674 1.18704 1.36516 ++ {0.0} {} 0.0 4.1359 -1 {} 0 64 {} 3.24429 0.00626 0.00033 ++ {0.0} {} {} 27.08119 1.46717 0.07687 ++ {0.0} {} 0.0 1.8049 -1 {} 0 65 {} 2.04149 0.00350 0.00499 ++ {0.0} {} {} 27.00576 1.38928 0.60593 ++ {0.0} {} 0.0 2.2478 -1 {} 0 66 {1.HG2} 2.01721 0.00731 0.01044 ++ {0.0} {} {1.CG} 26.43000 0.79425 0.56551 ++ {0.0} {} 0.0 2.7292 0 {} 0 67 {1.HG2} 2.00131 0.00543 0.00776 ++ {0.0} {} {1.CG} 26.43000 1.02277 0.71072 ++ {0.0} {} 0.0 2.6935 0 {} 0 68 {} 1.79676 0.00258 0.00368 ++ {0.0} {} {} 27.26397 0.91778 0.13005 ++ {0.0} {} 0.0 1.8917 -1 {} 0 69 {2.HE1} 2.07292 0.00535 0.01076 ++ {0.0} {} {2.CE} 16.92592 0.94389 2.02617 ++ {0.0} {} 0.0 17.1414 0 {} 0 70 {} 1.24358 0.00927 0.00994 ++ {0.0} {} {} 27.59370 1.00587 1.10380 ++ {0.0} {} 0.0 3.8944 -1 {} 0 71 {3.HB1} 1.41591 0.01235 0.01713 ++ {0.0} {} {3.CB} 18.93165 1.10845 2.14332 ++ {0.0} {} 0.0 4.2440 0 {} 0 72 {} 1.42498 0.00061 0.00087 ++ {0.0} {} {} 15.39994 0.11074 0.15820 ++ {0.0} {} 0.0 1.8500 -1 {} 0 73 {12.HD11} 0.95292 0.03012 0.03213 ++ {0.0} {} {12.CD1} 24.63521 0.99323 0.92145 ++ {0.0} {} 0.0 5.0577 0 {} 0 74 {8.HD11} 0.92133 0.01369 0.02265 ++ {0.0} {} {8.CD1} 24.81002 1.91245 1.31213 ++ {0.0} {} 0.0 7.6135 0 {} 0 75 {14.HD21} 0.87277 0.01369 0.01956 ++ {0.0} {} {14.CD2} 24.21336 1.65873 1.42636 ++ {0.0} {} 0.0 7.7459 0 {} 0 76 {8.HD21} 0.87122 0.02896 0.01856 ++ {0.0} {} {8.CD2} 23.77666 2.32833 1.28323 ++ {0.0} {} 0.0 7.5816 0 {} 0 77 {12.HD21} 0.90153 0.01369 0.02582 ++ {0.0} {} {12.CD2} 24.34074 0.90806 0.57576 ++ {0.0} {} 0.0 4.8290 0 {} 0 78 {16.HG21} 0.79102 0.01369 0.03143 ++ {0.0} {} {16.CG2} 17.90489 0.87226 1.67415 ++ {0.0} {} 0.0 4.6372 0 {} 0 79 {16.HG21} 0.78417 0.01119 0.00969 ++ {0.0} {} {16.CG2} 17.86061 0.99765 0.78334 ++ {0.0} {} 0.0 2.8937 -1 {} 0 80 {16.HD11} 0.81036 0.00821 0.01173 ++ {0.0} {} {16.CD1} 13.73400 0.96273 0.78942 ++ {0.0} {} 0.0 2.9790 -1 {} 0 81 {16.HD11} 0.79846 0.01402 0.03982 ++ {0.0} {} {16.CD1} 13.85331 1.08541 1.48849 ++ {0.0} {} 0.0 4.0181 0 {} 0 82 {16.HD11} 0.78475 0.00723 0.00312 ++ {0.0} {} {16.CD1} 13.80936 0.71918 1.02739 ++ {0.0} {} 0.0 2.2409 -1 {} 0 83 {} 0.77337 0.00968 0.01394 ++ {0.0} {} {} 15.39163 1.02439 1.47405 ++ {0.0} {} 0.0 6.2655 -1 {} 0 84 {7.HA} 4.05333 0.01369 0.01956 ++ {0.0} {} {7.CA} 57.81556 0.74877 1.06967 ++ {0.0} {} 0.0 2.6159 0 {} 0 85 {} 3.93265 0.00533 0.00762 ++ {0.0} {} {} 59.25996 1.20698 0.62540 ++ {0.0} {} 0.0 2.3722 -1 {} 0 86 {8.HA} 3.99214 0.00821 0.01173 ++ {0.0} {} {8.HN} 57.73508 0.87572 1.42668 ++ {0.0} {} 0.0 4.7094 0 {} 0 87 {14.HA} 4.18000 0.00794 0.01184 ++ {0.0} {} {14.CA} 56.60000 1.00221 1.02474 ++ {0.0} {} 0.0 2.3358 0 {} 0 88 {2.HA} 4.37071 0.00821 0.01173 ++ {0.0} {} {2.CA} 56.31199 1.12241 2.54243 ++ {0.0} {} 0.0 18.7204 0 {} 0 89 {} 4.52720 0.00730 0.01330 ++ {0.0} {} {} 64.70293 1.03771 2.38935 ++ {0.0} {} 0.0 17.7200 0 {} 0 90 {1.HA} 4.39961 0.00873 0.01247 ++ {0.0} {} {1.CA} 62.07274 0.34959 0.49942 ++ {0.0} {} 0.0 2.5508 0 {} 0 91 {} 0.83328 0.00191 0.00273 ++ {0.0} {} {} 13.47326 1.37483 0.37667 ++ {0.0} {} 0.0 1.6293 -1 {} 0 92 {} 0.93067 0.01369 0.01956 ++ {0.0} {} {} 20.97568 1.91245 2.94997 ++ {0.0} {} 0.0 7.6135 -1 {} 0 93 {4.HG1} 1.68856 0.01917 0.02738 ++ {0.0} {} {4.CG} 29.22375 1.31505 1.21891 ++ {0.0} {} 0.0 5.0290 0 {} 0 94 {} 1.78509 0.00173 0.00247 ++ {0.0} {} {} 27.53670 0.30409 0.43441 ++ {0.0} {} 0.0 1.5311 -1 {} 0 95 {17.HB1} 1.31592 0.00363 0.02006 ++ {0.0} {} {17.CB} 19.51618 0.38672 2.07420 ++ {0.0} {} 0.0 1.6769 0 {} 0 96 {} 1.35553 0.00144 0.01198 ++ {0.0} {} {} 25.16356 1.31173 1.66449 ++ {0.0} {} 0.0 1.5973 -1 {} 0 97 {} 1.58326 0.00132 0.01002 ++ {0.0} {} {} 12.76829 0.74875 1.24106 ++ {0.0} {} 0.0 1.5234 -1 {} 0 98 {} 2.13684 0.00720 0.00254 ++ {0.0} {} {} 11.67466 1.26509 0.44598 ++ {0.0} {} 0.0 1.7070 0 {} 0 99 {} 7.31561 0.01369 0.01956 ++ {0.0} {} {} 131.64386 0.93272 1.38083 ++ {0.0} {} 0.0 5.4126 -1 {} 0 100 {18.HD1} 7.30472 0.01369 0.02684 ++ {0.0} {} {18.CD1} 132.00203 0.98391 1.52929 ++ {0.0} {} 0.0 7.2224 0 {} 0 101 {18.HE2} 7.27415 0.01539 0.01956 ++ {0.0} {} {18.CE2} 130.87419 1.97682 1.40165 ++ {0.0} {} 0.0 3.7192 0 {} 0 102 {18.HE1} 7.26282 0.01369 0.01956 ++ {0.0} {} {18.CE1} 130.83594 1.04014 1.43208 ++ {0.0} {} 0.0 4.5126 0 {} 0 103 {18.HZ} 7.15573 0.01179 0.01088 ++ {0.0} {} {18.CZ} 129.02376 0.80934 1.16024 ++ {0.0} {} 0.0 2.2086 0 {} 0 104 {} 7.20684 0.00159 0.00577 ++ {0.0} {} {} 128.58788 0.87436 0.18381 ++ {0.0} {} 0.0 1.4945 -1 {} 0 105 {} 7.16179 0.00879 0.01256 ++ {0.0} {} {} 129.25137 1.10501 0.77593 ++ {0.0} {} 0.0 2.1669 -1 {} 0 106 {18.HD2} 7.32181 0.01369 0.01956 ++ {0.0} {} {18.CD2} 132.09476 0.93272 1.38083 ++ {0.0} {} 0.0 5.4126 0 {} 0 107 {} 7.15123 0.00042 0.00184 ++ {0.0} {} {} 130.81989 1.22531 0.21709 ++ {0.0} {} 0.0 1.4570 -1 {} 0 108 {13.HD2} 3.15630 0.04348 0.01475 ++ {0.0} {} {13.CD} 43.31250 0.96966 1.09874 ++ {0.0} {} 0.0 4.0551 0 {} 0 109 {13.HD1} 3.14200 0.04348 0.01474 ++ {0.0} {} {13.CD} 43.75694 0.96966 1.09874 ++ {0.0} {} 0.0 4.0551 -1 {} 0 110 {13.HB1} 1.94549 0.00506 0.01775 ++ {0.0} {} {13.CB} 30.51978 0.61453 1.40324 ++ {0.0} {} 0.0 -1.4695 0 {} 0 111 {4.HB1} 1.87625 0.00142 0.01800 ++ {0.0} {} {4.CB} 29.92583 0.86563 1.63152 ++ {0.0} {} 0.0 -1.3086 0 {} 0 112 {arg?HG} 1.54403 0.01512 0.01956 ++ {0.0} {} {} 25.58485 0.88954 0.99472 ++ {0.0} {} 0.0 -2.7020 -1 {} 0 113 {arg?HG} 1.51340 0.01656 0.01656 ++ {0.0} {} {} 25.58303 0.90730 0.90731 ++ {0.0} {} 0.0 -2.3825 -1 {} 0 114 {} 1.18620 0.01310 0.02219 ++ {0.0} {} {} 24.26871 0.78662 1.30368 ++ {0.0} {} 0.0 6.7925 -1 {} 0 115 {} 1.41504 0.01238 0.01806 ++ {0.0} {} {} 19.36255 1.18272 1.79449 ++ {0.0} {} 0.0 3.8598 -1 {} 0 116 {} 1.31918 0.01238 0.01806 ++ {0.0} {} {} 19.87876 1.18272 1.79449 ++ {0.0} {} 0.0 3.8598 -1 {} 0 117 {18.HA} 4.56571 0.01082 0.01545 ++ {0.0} {} {18.CA} 57.77375 0.58223 0.48414 ++ {0.0} {} 0.0 2.5487 0 {} 0 118 {5.HA} 4.55000 0.01216 0.01738 ++ {0.0} {} {5.CA} 54.55000 1.17590 0.73111 ++ {0.0} {} 0.0 1.6323 0 {} 0 119 {} 4.37489 0.01121 0.00800 ++ {0.0} {} {} 56.68061 0.90296 0.55106 ++ {0.0} {} 0.0 2.0236 -1 {} 0 120 {} 4.39017 0.00491 0.00701 ++ {0.0} {} {} 56.70242 1.54946 0.70928 ++ {0.0} {} 0.0 1.8235 -1 {} 0 121 {} 1.78560 0.01075 0.01536 ++ {0.0} {} {} 41.85331 0.90548 1.29354 ++ {0.0} {} 0.0 1.5320 0 {} 0 122 {} 1.81065 0.01558 0.01398 ++ {0.0} {} {} 41.94107 1.20727 0.97478 ++ {0.0} {} 0.0 1.5092 0 {} 0 123 {} 1.82007 0.01483 0.01120 ++ {0.0} {} {} 41.96309 0.97508 0.52352 ++ {0.0} {} 0.0 1.2301 0 {} 0 124 {} 1.85345 0.00102 0.00145 ++ {0.0} {} {} 42.23741 0.58813 0.06430 ++ {0.0} {} 0.0 0.9519 -1 {} 0 125 {} 1.63541 0.00821 0.01173 ++ {0.0} {} {} 29.47099 1.18704 1.36516 ++ {0.0} {} 0.0 4.1359 -1 {} 0 126 {15.HE2} 2.94943 0.01917 0.01504 ++ {0.0} {} {15.CE} 42.06072 0.91969 2.65878 ++ {0.0} {} 0.0 26.5404 0 {} 0 127 {10.HE2} 2.90949 0.01369 0.01571 ++ {0.0} {} {10.CE} 41.88586 0.98025 2.38388 ++ {0.0} {} 0.0 21.7771 0 {} 0 128 {7.HE2} 2.93330 0.01369 0.01214 ++ {0.0} {} {7.CE} 42.02310 0.98025 2.05445 ++ {0.0} {} 0.0 21.7771 0 {} 0 129 {} 1.38729 0.00848 0.01212 ++ {0.0} {} {} 22.70191 0.93825 0.43176 ++ {0.0} {} 0.0 1.1688 -1 {} 0 130 {} 1.33011 0.01017 0.01452 ++ {0.0} {} {} 24.78489 0.64394 0.91992 ++ {0.0} {} 0.0 1.2509 -1 {} 0 131 {} 1.34163 0.01065 0.02875 ++ {0.0} {} {} 24.59029 1.87819 1.24669 ++ {0.0} {} 0.0 1.6769 0 {} 0 132 {} 1.44522 0.01471 0.00827 ++ {0.0} {} {} 25.10707 1.20928 0.72651 ++ {0.0} {} 0.0 -1.7027 -1 {} 0 133 {16.HG12} 1.52249 0.00821 0.02413 ++ {0.0} {} {16.CG1} 25.27623 0.86428 0.81265 ++ {0.0} {} 0.0 -1.9646 0 {} 0 134 {} 1.41316 0.00821 0.01173 ++ {0.0} {} {} 25.59350 0.99696 0.67313 ++ {0.0} {} 0.0 -1.7984 -1 {} 0 135 {} 1.91008 0.01369 0.01107 ++ {0.0} {} {} 32.43359 1.10860 1.61310 ++ {0.0} {} 0.0 3.3357 -1 {} 0 136 {} 1.79716 0.01369 0.01956 ++ {0.0} {} {} 31.39972 1.47327 1.14664 ++ {0.0} {} 0.0 2.3019 -1 {} 0 137 {10.HA} 4.03101 0.01369 0.02172 ++ {0.0} {} {10.CA} 58.95830 0.95227 0.91416 ++ {0.0} {} 0.0 5.4451 0 {} 0 138 {2.HG1} 2.59471 0.00694 0.03591 ++ {0.0} {} {2.CG} 31.90772 1.24362 1.33653 ++ {0.0} {} 0.0 -1.1276 0 {} 0 139 {1.HA} 4.04796 0.00817 0.01167 ++ {0.0} {} {1.Ca} 61.37681 0.88096 0.48182 ++ {0.0} {} 0.0 2.0495 -1 {} 0 140 {16.HB} 1.93309 0.00780 0.00588 ++ {0.0} {} {16.CB} 38.20560 1.11742 0.84250 ++ {0.0} {} 0.0 1.2237 0 {} 0 141 {4.HB2} 1.85259 0.00670 0.01817 ++ {0.0} {} {4.CB} 30.01868 0.73070 1.16922 ++ {0.0} {} 0.0 -0.9759 0 {} 0 142 {13.HB2} 1.90318 0.00756 0.01349 ++ {0.0} {} {13.CB} 32.41077 1.16182 0.95697 ++ {0.0} {} 0.0 -1.2962 0 {} 0 143 {} 0.95679 0.01311 0.01553 ++ {0.0} {} {} 21.06056 1.92135 1.11315 ++ {0.0} {} 0.0 4.7253 -1 {} 0 144 {} 1.43951 0.01387 0.00609 ++ {0.0} {} {} 24.80828 1.15455 0.53213 ++ {0.0} {} 0.0 -1.6984 -1 {} 0 145 {10.HG2} 1.43852 0.00900 0.01928 ++ {0.0} {} {10.CG} 25.04364 1.06489 1.02503 ++ {0.0} {} 0.0 -2.5197 0 {} 0 146 {6.HG2} 1.41174 0.00900 0.03506 ++ {0.0} {} {6.CG} 25.10194 1.06489 1.02503 ++ {0.0} {} 0.0 -2.5197 0 {} 0 147 {7.HG2} 1.53833 0.01506 0.02151 ++ {0.0} {} {7.CG} 25.25577 1.04122 1.09751 ++ {0.0} {} 0.0 -2.7634 0 {} 0 148 {11.HE2} 2.89530 0.01506 0.02151 ++ {0.0} {} {11.CE} 41.82971 0.84864 1.40002 ++ {0.0} {} 0.0 -18.2193 0 {} 0 149 {6.HB2} 1.84186 0.01152 0.02023 ++ {0.0} {} {6.CB} 32.41331 0.75300 0.85180 ++ {0.0} {} 0.0 -1.3758 0 {} 0 150 {6.HD2} 1.66793 0.02055 0.03043 ++ {0.0} {} {6.CD} 29.24582 2.13982 1.38278 ++ {0.0} {} 0.0 -1.8088 0 {} 0 151 {7.HB2} 1.77497 0.00748 0.00648 ++ {0.0} {} {7.CB} 33.77242 0.76721 0.28422 ++ {0.0} {} 0.0 -1.2833 -1 {} 0 152 {11.HB2} 1.86771 0.02026 0.02995 ++ {0.0} {} {11.CB} 32.37948 1.10049 0.93719 ++ {0.0} {} 0.0 -1.3604 0 {} 0 153 {7.HB1} 1.82461 0.02055 0.01903 ++ {0.0} {} {7.CB} 32.43905 2.13982 0.76215 ++ {0.0} {} 0.0 -1.8088 0 {} 0 154 {} 1.65454 0.01369 0.01956 ++ {0.0} {} {} 33.77491 1.06697 0.89989 ++ {0.0} {} 0.0 -1.8081 0 {} 0 155 {7.HB2} 1.63516 0.00851 0.01118 ++ {0.0} {} {7.CB} 33.86814 1.24737 0.54860 ++ {0.0} {} 0.0 -1.3403 -1 {} 0 156 {7.HD2} 1.68131 0.01369 0.01761 ++ {0.0} {} {7.CD} 29.22213 1.16303 2.10984 ++ {0.0} {} 0.0 -6.5068 0 {} 0 157 {10.HB2} 1.98665 0.00904 0.02551 ++ {0.0} {} {10.CB} 32.49848 0.96121 0.88736 ++ {0.0} {} 0.0 -2.4549 0 {} 0 158 {10.HD2} 1.63016 0.01369 0.01956 ++ {0.0} {} {10.CD} 29.18328 1.16303 2.28933 ++ {0.0} {} 0.0 -6.5068 0 {} 0 159 {} 0.93178 0.01585 0.01430 ++ {0.0} {} {} 24.75082 0.77318 0.69853 ++ {0.0} {} 0.0 3.3777 -1 {} 0 160 {14.HD21} 0.90069 0.01585 0.03882 ++ {0.0} {} {14.CD1} 25.16353 0.77318 1.14707 ++ {0.0} {} 0.0 3.3777 0 {} 0 161 {14.HB2} 1.59479 0.01550 0.00816 ++ {0.0} {} {14.CB} 41.64934 0.79961 0.38662 ++ {0.0} {} 0.0 -1.2505 -1 {} 0 162 {14.HB2} 1.59712 0.00443 0.00633 ++ {0.0} {} {14.CB} 41.75254 0.66190 0.74843 ++ {0.0} {} 0.0 -1.4357 0 {} 0 163 {6.HB1} 1.88999 0.01369 0.01956 ++ {0.0} {} {6.C} 32.32588 0.83223 0.78299 ++ {0.0} {} 0.0 -4.3711 0 {} 0 164 {9.HD21} 0.84237 0.01441 0.03920 ++ {0.0} {} {9.CD2} 24.44682 0.70289 1.41696 ++ {0.0} {} 0.0 3.3777 0 {} 0 165 {9.HD11} 0.88944 0.03012 0.04303 ++ {0.0} {} {9.CD1} 24.69590 1.48275 1.16640 ++ {0.0} {} 0.0 5.5051 0 {} 0 166 {8.HG} 1.77486 0.01015 0.00944 ++ {0.0} {} {8.CG} 26.82316 0.72474 1.13399 ++ {0.0} {} 0.0 2.6164 0 {} 0 167 {12.HB2} 1.62870 0.00714 0.01270 ++ {0.0} {} {12.CB} 41.54205 0.66322 0.39533 ++ {0.0} {} 0.0 -1.4554 0 {} 0 168 {8.HB1} 1.64419 0.00460 0.00657 ++ {0.0} {} {8.CB} 42.27574 0.55925 0.79893 ++ {0.0} {} 0.0 -1.2994 -1 {} 0 169 {8.HB2} 1.55725 0.00228 0.00325 ++ {0.0} {} {8.CB} 41.51522 0.34008 0.48583 ++ {0.0} {} 0.0 -1.4357 0 {} 0 170 {9.HG} 1.63659 0.00223 0.01245 ++ {0.0} {} {9.CG} 41.54235 1.18590 0.32491 ++ {0.0} {} 0.0 -1.1614 0 {} 0 171 {12.HG} 1.76318 0.00966 0.01380 ++ {0.0} {} {12.CG} 27.12694 0.95642 0.70822 ++ {0.0} {} 0.0 2.3525 0 {} 0 172 {19.HG1} 1.54832 0.01369 0.01956 ++ {0.0} {} {19.CG} 25.19489 0.94656 1.08117 ++ {0.0} {} 0.0 -2.7634 0 {} 0 173 {7.HG2} 1.38082 0.00277 0.02261 ++ {0.0} {} {7.CG} 25.10790 0.83656 1.00583 ++ {0.0} {} 0.0 -1.5699 0 {} 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 1H 2 . 8012.820 Hz . . . 2345.05 . . 30408 4 2 . . C 13 13C 1 . 20831.980 Hz . . . 9379.65 . . 30408 4 stop_ save_