data_31057 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31057 _Entry.Title ; AbdA Homeodomain NMR Solution Structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-09 _Entry.Accession_date 2022-11-09 _Entry.Last_release_date 2023-04-10 _Entry.Original_release_date 2023-04-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Beasley S. A. . . 31057 2 R. Simons R. A. . . 31057 3 M. Advocate M. R. . . 31057 4 F. Mekkaoui F. . . . 31057 5 D. Spratt D. E. . . 31057 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 31057 'Homeodomain AbdA' . 31057 'Transcription factor' . 31057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31057 spectral_peak_list 14 31057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 31057 '15N chemical shifts' 66 31057 '1H chemical shifts' 477 31057 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 . . 2023-04-13 . original BMRB . 31057 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8F37 'BMRB Entry Tracking System' 31057 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31057 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; AbdA Homeodomain NMR solution structure ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Beasley S. A. . . 31057 1 2 R. Simons R. A. . . 31057 1 3 M. Advocate M. R. . . 31057 1 4 F. Mekkaoui F. . . . 31057 1 5 D. Spratt D. E. . . 31057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31057 _Assembly.ID 1 _Assembly.Name 'Homeobox protein abdominal-A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31057 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTRRRGRQTYTRFQTLELEK EFHFNHYLTRRRRIEIAHAL CLTERQIKIWFQNRRMKLKK EL ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7923.292 _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 . GLY . 31057 1 2 . THR . 31057 1 3 . ARG . 31057 1 4 . ARG . 31057 1 5 . ARG . 31057 1 6 . GLY . 31057 1 7 . ARG . 31057 1 8 . GLN . 31057 1 9 . THR . 31057 1 10 . TYR . 31057 1 11 . THR . 31057 1 12 . ARG . 31057 1 13 . PHE . 31057 1 14 . GLN . 31057 1 15 . THR . 31057 1 16 . LEU . 31057 1 17 . GLU . 31057 1 18 . LEU . 31057 1 19 . GLU . 31057 1 20 . LYS . 31057 1 21 . GLU . 31057 1 22 . PHE . 31057 1 23 . HIS . 31057 1 24 . PHE . 31057 1 25 . ASN . 31057 1 26 . HIS . 31057 1 27 . TYR . 31057 1 28 . LEU . 31057 1 29 . THR . 31057 1 30 . ARG . 31057 1 31 . ARG . 31057 1 32 . ARG . 31057 1 33 . ARG . 31057 1 34 . ILE . 31057 1 35 . GLU . 31057 1 36 . ILE . 31057 1 37 . ALA . 31057 1 38 . HIS . 31057 1 39 . ALA . 31057 1 40 . LEU . 31057 1 41 . CYS . 31057 1 42 . LEU . 31057 1 43 . THR . 31057 1 44 . GLU . 31057 1 45 . ARG . 31057 1 46 . GLN . 31057 1 47 . ILE . 31057 1 48 . LYS . 31057 1 49 . ILE . 31057 1 50 . TRP . 31057 1 51 . PHE . 31057 1 52 . GLN . 31057 1 53 . ASN . 31057 1 54 . ARG . 31057 1 55 . ARG . 31057 1 56 . MET . 31057 1 57 . LYS . 31057 1 58 . LEU . 31057 1 59 . LYS . 31057 1 60 . LYS . 31057 1 61 . GLU . 31057 1 62 . LEU . 31057 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 31057 1 . THR 2 2 31057 1 . ARG 3 3 31057 1 . ARG 4 4 31057 1 . ARG 5 5 31057 1 . GLY 6 6 31057 1 . ARG 7 7 31057 1 . GLN 8 8 31057 1 . THR 9 9 31057 1 . TYR 10 10 31057 1 . THR 11 11 31057 1 . ARG 12 12 31057 1 . PHE 13 13 31057 1 . GLN 14 14 31057 1 . THR 15 15 31057 1 . LEU 16 16 31057 1 . GLU 17 17 31057 1 . LEU 18 18 31057 1 . GLU 19 19 31057 1 . LYS 20 20 31057 1 . GLU 21 21 31057 1 . PHE 22 22 31057 1 . HIS 23 23 31057 1 . PHE 24 24 31057 1 . ASN 25 25 31057 1 . HIS 26 26 31057 1 . TYR 27 27 31057 1 . LEU 28 28 31057 1 . THR 29 29 31057 1 . ARG 30 30 31057 1 . ARG 31 31 31057 1 . ARG 32 32 31057 1 . ARG 33 33 31057 1 . ILE 34 34 31057 1 . GLU 35 35 31057 1 . ILE 36 36 31057 1 . ALA 37 37 31057 1 . HIS 38 38 31057 1 . ALA 39 39 31057 1 . LEU 40 40 31057 1 . CYS 41 41 31057 1 . LEU 42 42 31057 1 . THR 43 43 31057 1 . GLU 44 44 31057 1 . ARG 45 45 31057 1 . GLN 46 46 31057 1 . ILE 47 47 31057 1 . LYS 48 48 31057 1 . ILE 49 49 31057 1 . TRP 50 50 31057 1 . PHE 51 51 31057 1 . GLN 52 52 31057 1 . ASN 53 53 31057 1 . ARG 54 54 31057 1 . ARG 55 55 31057 1 . MET 56 56 31057 1 . LYS 57 57 31057 1 . LEU 58 58 31057 1 . LYS 59 59 31057 1 . LYS 60 60 31057 1 . GLU 61 61 31057 1 . LEU 62 62 31057 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 31057 _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 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . 'abd-A, CG10325' . 31057 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 31057 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 31057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31057 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.857 mM [U-100% 13C; U-100% 15N] AbdAHD, 20 mM MES, 100 mM NaCl, 2 mM TCEP, 5 mM MgCl2, 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 AbdAHD '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.857 . . mM . . . . 31057 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 31057 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 31057 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 31057 1 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 31057 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 31057 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions_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' 128 . mM 31057 1 pH 6.0 . pH 31057 1 pressure 1 . atm 31057 1 temperature 298 . K 31057 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31057 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 31057 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31057 1 'structure calculation' . 31057 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31057 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.1.0-b63 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'One Moon Scientific' . . 31057 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31057 2 'peak picking' . 31057 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31057 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _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' . . 31057 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31057 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'INOVA AVANCE' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31057 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Agilent 'INOVA AVANCE' . 600 . . . 31057 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 31057 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 7 '3D HCCH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 8 '3D HCCH-TOCSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 9 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 11 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 1 16 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31057 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 31057 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'indirect ratios per BMRM' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 31057 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 31057 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 31057 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 31057 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 31057 1 2 '2D 1H-13C HSQC aliphatic' . . . 31057 1 3 '2D 1H-13C HSQC aromatic' . . . 31057 1 4 '3D HNCA' . . . 31057 1 5 '3D HNCO' . . . 31057 1 6 '3D HN(CA)CO' . . . 31057 1 7 '3D HCCH-TOCSY aliphatic' . . . 31057 1 8 '3D HCCH-TOCSY aromatic' . . . 31057 1 9 '3D HN(CO)CA' . . . 31057 1 10 '3D C(CO)NH' . . . 31057 1 11 '3D HNCACB' . . . 31057 1 12 '3D CBCA(CO)NH' . . . 31057 1 13 '3D 1H-13C NOESY aromatic' . . . 31057 1 14 '3D 1H-15N NOESY' . . . 31057 1 15 '3D 1H-13C NOESY aliphatic' . . . 31057 1 16 '3D H(CCO)NH' . . . 31057 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ARG HA H 1 4.4090 0.0000 . 1 . . . . A 3 ARG HA . 31057 1 2 . 1 . 1 3 3 ARG HB2 H 1 1.8440 0.0000 . 2 . . . . A 3 ARG HB2 . 31057 1 3 . 1 . 1 3 3 ARG HB3 H 1 1.8440 0.0000 . 2 . . . . A 3 ARG HB3 . 31057 1 4 . 1 . 1 3 3 ARG HG2 H 1 1.7080 0.0000 . 2 . . . . A 3 ARG HG2 . 31057 1 5 . 1 . 1 3 3 ARG HG3 H 1 1.7080 0.0000 . 2 . . . . A 3 ARG HG3 . 31057 1 6 . 1 . 1 3 3 ARG HD2 H 1 3.2510 0.0000 . 2 . . . . A 3 ARG HD2 . 31057 1 7 . 1 . 1 3 3 ARG HD3 H 1 3.2510 0.0000 . 2 . . . . A 3 ARG HD3 . 31057 1 8 . 1 . 1 3 3 ARG CA C 13 56.3910 0.0000 . 1 . . . . A 3 ARG CA . 31057 1 9 . 1 . 1 3 3 ARG CB C 13 31.0320 0.0000 . 1 . . . . A 3 ARG CB . 31057 1 10 . 1 . 1 3 3 ARG CG C 13 26.9750 0.0000 . 1 . . . . A 3 ARG CG . 31057 1 11 . 1 . 1 3 3 ARG CD C 13 43.3580 0.0000 . 1 . . . . A 3 ARG CD . 31057 1 12 . 1 . 1 4 4 ARG H H 1 8.6070 0.0000 . 1 . . . . A 4 ARG H . 31057 1 13 . 1 . 1 4 4 ARG HA H 1 4.3810 0.0000 . 1 . . . . A 4 ARG HA . 31057 1 14 . 1 . 1 4 4 ARG HB2 H 1 1.8610 0.0000 . 2 . . . . A 4 ARG HB2 . 31057 1 15 . 1 . 1 4 4 ARG HB3 H 1 1.8610 0.0000 . 2 . . . . A 4 ARG HB3 . 31057 1 16 . 1 . 1 4 4 ARG HG2 H 1 1.6750 0.0000 . 2 . . . . A 4 ARG HG2 . 31057 1 17 . 1 . 1 4 4 ARG HG3 H 1 1.8610 0.0000 . 2 . . . . A 4 ARG HG3 . 31057 1 18 . 1 . 1 4 4 ARG HD2 H 1 3.2410 0.0000 . 2 . . . . A 4 ARG HD2 . 31057 1 19 . 1 . 1 4 4 ARG HD3 H 1 3.2410 0.0000 . 2 . . . . A 4 ARG HD3 . 31057 1 20 . 1 . 1 4 4 ARG C C 13 176.2330 0.0000 . 1 . . . . A 4 ARG C . 31057 1 21 . 1 . 1 4 4 ARG CA C 13 56.2500 0.0000 . 1 . . . . A 4 ARG CA . 31057 1 22 . 1 . 1 4 4 ARG CB C 13 30.8950 0.0000 . 1 . . . . A 4 ARG CB . 31057 1 23 . 1 . 1 4 4 ARG CG C 13 27.2660 0.0000 . 1 . . . . A 4 ARG CG . 31057 1 24 . 1 . 1 4 4 ARG CD C 13 43.3160 0.0000 . 1 . . . . A 4 ARG CD . 31057 1 25 . 1 . 1 4 4 ARG N N 15 123.6980 0.0000 . 1 . . . . A 4 ARG N . 31057 1 26 . 1 . 1 5 5 ARG H H 1 8.5020 0.0000 . 1 . . . . A 5 ARG H . 31057 1 27 . 1 . 1 5 5 ARG HA H 1 4.3980 0.0000 . 1 . . . . A 5 ARG HA . 31057 1 28 . 1 . 1 5 5 ARG HB2 H 1 1.8990 0.0000 . 2 . . . . A 5 ARG HB2 . 31057 1 29 . 1 . 1 5 5 ARG HB3 H 1 1.8990 0.0000 . 2 . . . . A 5 ARG HB3 . 31057 1 30 . 1 . 1 5 5 ARG HG2 H 1 1.6960 0.0000 . 2 . . . . A 5 ARG HG2 . 31057 1 31 . 1 . 1 5 5 ARG HG3 H 1 1.6960 0.0000 . 2 . . . . A 5 ARG HG3 . 31057 1 32 . 1 . 1 5 5 ARG HD2 H 1 3.2520 0.0000 . 2 . . . . A 5 ARG HD2 . 31057 1 33 . 1 . 1 5 5 ARG HD3 H 1 3.2520 0.0000 . 2 . . . . A 5 ARG HD3 . 31057 1 34 . 1 . 1 5 5 ARG C C 13 176.7440 0.0000 . 1 . . . . A 5 ARG C . 31057 1 35 . 1 . 1 5 5 ARG CA C 13 56.3480 0.0000 . 1 . . . . A 5 ARG CA . 31057 1 36 . 1 . 1 5 5 ARG CB C 13 31.0800 0.0000 . 1 . . . . A 5 ARG CB . 31057 1 37 . 1 . 1 5 5 ARG CG C 13 27.2240 0.0000 . 1 . . . . A 5 ARG CG . 31057 1 38 . 1 . 1 5 5 ARG CD C 13 43.4330 0.0000 . 1 . . . . A 5 ARG CD . 31057 1 39 . 1 . 1 5 5 ARG N N 15 123.4650 0.0000 . 1 . . . . A 5 ARG N . 31057 1 40 . 1 . 1 6 6 GLY H H 1 8.4720 0.0000 . 1 . . . . A 6 GLY H . 31057 1 41 . 1 . 1 6 6 GLY HA2 H 1 3.9840 0.0000 . 2 . . . . A 6 GLY HA2 . 31057 1 42 . 1 . 1 6 6 GLY HA3 H 1 3.9840 0.0000 . 2 . . . . A 6 GLY HA3 . 31057 1 43 . 1 . 1 6 6 GLY C C 13 173.7090 0.0000 . 1 . . . . A 6 GLY C . 31057 1 44 . 1 . 1 6 6 GLY CA C 13 45.1780 0.0000 . 1 . . . . A 6 GLY CA . 31057 1 45 . 1 . 1 6 6 GLY N N 15 110.4100 0.0000 . 1 . . . . A 6 GLY N . 31057 1 46 . 1 . 1 7 7 ARG H H 1 8.2980 0.0000 . 1 . . . . A 7 ARG H . 31057 1 47 . 1 . 1 7 7 ARG HA H 1 4.3860 0.0000 . 1 . . . . A 7 ARG HA . 31057 1 48 . 1 . 1 7 7 ARG HB2 H 1 1.8620 0.0000 . 2 . . . . A 7 ARG HB2 . 31057 1 49 . 1 . 1 7 7 ARG HB3 H 1 1.8620 0.0000 . 2 . . . . A 7 ARG HB3 . 31057 1 50 . 1 . 1 7 7 ARG HG2 H 1 1.6640 0.0000 . 2 . . . . A 7 ARG HG2 . 31057 1 51 . 1 . 1 7 7 ARG HG3 H 1 1.6640 0.0000 . 2 . . . . A 7 ARG HG3 . 31057 1 52 . 1 . 1 7 7 ARG HD2 H 1 3.2360 0.0000 . 2 . . . . A 7 ARG HD2 . 31057 1 53 . 1 . 1 7 7 ARG HD3 H 1 3.2360 0.0000 . 2 . . . . A 7 ARG HD3 . 31057 1 54 . 1 . 1 7 7 ARG C C 13 176.2830 0.0000 . 1 . . . . A 7 ARG C . 31057 1 55 . 1 . 1 7 7 ARG CA C 13 56.1290 0.0000 . 1 . . . . A 7 ARG CA . 31057 1 56 . 1 . 1 7 7 ARG CB C 13 31.1330 0.0000 . 1 . . . . A 7 ARG CB . 31057 1 57 . 1 . 1 7 7 ARG CG C 13 27.2080 0.0000 . 1 . . . . A 7 ARG CG . 31057 1 58 . 1 . 1 7 7 ARG CD C 13 43.4050 0.0000 . 1 . . . . A 7 ARG CD . 31057 1 59 . 1 . 1 7 7 ARG N N 15 120.7140 0.0000 . 1 . . . . A 7 ARG N . 31057 1 60 . 1 . 1 8 8 GLN H H 1 8.5620 0.0000 . 1 . . . . A 8 GLN H . 31057 1 61 . 1 . 1 8 8 GLN HA H 1 4.4100 0.0000 . 1 . . . . A 8 GLN HA . 31057 1 62 . 1 . 1 8 8 GLN HB2 H 1 2.0990 0.0000 . 2 . . . . A 8 GLN HB2 . 31057 1 63 . 1 . 1 8 8 GLN HB3 H 1 2.0300 0.0000 . 2 . . . . A 8 GLN HB3 . 31057 1 64 . 1 . 1 8 8 GLN HG2 H 1 2.3710 0.0000 . 2 . . . . A 8 GLN HG2 . 31057 1 65 . 1 . 1 8 8 GLN HG3 H 1 2.2980 0.0000 . 2 . . . . A 8 GLN HG3 . 31057 1 66 . 1 . 1 8 8 GLN HE21 H 1 7.5280 0.0000 . 2 . . . . A 8 GLN HE21 . 31057 1 67 . 1 . 1 8 8 GLN HE22 H 1 6.8600 0.0000 . 2 . . . . A 8 GLN HE22 . 31057 1 68 . 1 . 1 8 8 GLN C C 13 175.6100 0.0000 . 1 . . . . A 8 GLN C . 31057 1 69 . 1 . 1 8 8 GLN CA C 13 55.6610 0.0000 . 1 . . . . A 8 GLN CA . 31057 1 70 . 1 . 1 8 8 GLN CB C 13 29.5910 0.0000 . 1 . . . . A 8 GLN CB . 31057 1 71 . 1 . 1 8 8 GLN CG C 13 33.8270 0.0000 . 1 . . . . A 8 GLN CG . 31057 1 72 . 1 . 1 8 8 GLN CD C 13 180.3690 0.0000 . 1 . . . . A 8 GLN CD . 31057 1 73 . 1 . 1 8 8 GLN N N 15 122.5860 0.0000 . 1 . . . . A 8 GLN N . 31057 1 74 . 1 . 1 8 8 GLN NE2 N 15 112.9010 0.0000 . 1 . . . . A 8 GLN NE2 . 31057 1 75 . 1 . 1 9 9 THR H H 1 8.1770 0.0000 . 1 . . . . A 9 THR H . 31057 1 76 . 1 . 1 9 9 THR HA H 1 4.2740 0.0000 . 1 . . . . A 9 THR HA . 31057 1 77 . 1 . 1 9 9 THR HB H 1 4.0650 0.0000 . 1 . . . . A 9 THR HB . 31057 1 78 . 1 . 1 9 9 THR HG21 H 1 1.0510 0.0000 . 1 . . . . A 9 THR HG21 . 31057 1 79 . 1 . 1 9 9 THR HG22 H 1 1.0510 0.0000 . 1 . . . . A 9 THR HG22 . 31057 1 80 . 1 . 1 9 9 THR HG23 H 1 1.0510 0.0000 . 1 . . . . A 9 THR HG23 . 31057 1 81 . 1 . 1 9 9 THR C C 13 173.4720 0.0000 . 1 . . . . A 9 THR C . 31057 1 82 . 1 . 1 9 9 THR CA C 13 62.0160 0.0000 . 1 . . . . A 9 THR CA . 31057 1 83 . 1 . 1 9 9 THR CB C 13 70.1410 0.0000 . 1 . . . . A 9 THR CB . 31057 1 84 . 1 . 1 9 9 THR CG2 C 13 21.4620 0.0000 . 1 . . . . A 9 THR CG2 . 31057 1 85 . 1 . 1 9 9 THR N N 15 117.3290 0.0000 . 1 . . . . A 9 THR N . 31057 1 86 . 1 . 1 10 10 TYR H H 1 8.1690 0.0000 . 1 . . . . A 10 TYR H . 31057 1 87 . 1 . 1 10 10 TYR HA H 1 4.9780 0.0000 . 1 . . . . A 10 TYR HA . 31057 1 88 . 1 . 1 10 10 TYR HB2 H 1 3.1280 0.0000 . 2 . . . . A 10 TYR HB2 . 31057 1 89 . 1 . 1 10 10 TYR HB3 H 1 2.7710 0.0000 . 2 . . . . A 10 TYR HB3 . 31057 1 90 . 1 . 1 10 10 TYR HD1 H 1 7.0470 0.0000 . 3 . . . . A 10 TYR HD1 . 31057 1 91 . 1 . 1 10 10 TYR HD2 H 1 7.0470 0.0000 . 3 . . . . A 10 TYR HD2 . 31057 1 92 . 1 . 1 10 10 TYR HE1 H 1 6.7490 0.0000 . 3 . . . . A 10 TYR HE1 . 31057 1 93 . 1 . 1 10 10 TYR HE2 H 1 6.7490 0.0000 . 3 . . . . A 10 TYR HE2 . 31057 1 94 . 1 . 1 10 10 TYR C C 13 176.9160 0.0000 . 1 . . . . A 10 TYR C . 31057 1 95 . 1 . 1 10 10 TYR CA C 13 56.8210 0.0000 . 1 . . . . A 10 TYR CA . 31057 1 96 . 1 . 1 10 10 TYR CB C 13 40.2060 0.0000 . 1 . . . . A 10 TYR CB . 31057 1 97 . 1 . 1 10 10 TYR CD1 C 13 133.3880 0.0000 . 3 . . . . A 10 TYR CD1 . 31057 1 98 . 1 . 1 10 10 TYR CD2 C 13 133.3880 0.0000 . 3 . . . . A 10 TYR CD2 . 31057 1 99 . 1 . 1 10 10 TYR CE1 C 13 117.9870 0.0000 . 3 . . . . A 10 TYR CE1 . 31057 1 100 . 1 . 1 10 10 TYR CE2 C 13 117.9870 0.0000 . 3 . . . . A 10 TYR CE2 . 31057 1 101 . 1 . 1 10 10 TYR N N 15 120.6810 0.0000 . 1 . . . . A 10 TYR N . 31057 1 102 . 1 . 1 11 11 THR H H 1 9.1930 0.0000 . 1 . . . . A 11 THR H . 31057 1 103 . 1 . 1 11 11 THR HA H 1 4.5080 0.0000 . 1 . . . . A 11 THR HA . 31057 1 104 . 1 . 1 11 11 THR HB H 1 4.8990 0.0000 . 1 . . . . A 11 THR HB . 31057 1 105 . 1 . 1 11 11 THR HG21 H 1 1.4140 0.0000 . 1 . . . . A 11 THR HG21 . 31057 1 106 . 1 . 1 11 11 THR HG22 H 1 1.4140 0.0000 . 1 . . . . A 11 THR HG22 . 31057 1 107 . 1 . 1 11 11 THR HG23 H 1 1.4140 0.0000 . 1 . . . . A 11 THR HG23 . 31057 1 108 . 1 . 1 11 11 THR C C 13 175.6480 0.0000 . 1 . . . . A 11 THR C . 31057 1 109 . 1 . 1 11 11 THR CA C 13 61.0200 0.0000 . 1 . . . . A 11 THR CA . 31057 1 110 . 1 . 1 11 11 THR CB C 13 71.1590 0.0000 . 1 . . . . A 11 THR CB . 31057 1 111 . 1 . 1 11 11 THR CG2 C 13 21.7340 0.0000 . 1 . . . . A 11 THR CG2 . 31057 1 112 . 1 . 1 11 11 THR N N 15 114.5730 0.0000 . 1 . . . . A 11 THR N . 31057 1 113 . 1 . 1 12 12 ARG H H 1 9.0920 0.0000 . 1 . . . . A 12 ARG H . 31057 1 114 . 1 . 1 12 12 ARG HA H 1 4.1420 0.0000 . 1 . . . . A 12 ARG HA . 31057 1 115 . 1 . 1 12 12 ARG HB2 H 1 1.9960 0.0000 . 2 . . . . A 12 ARG HB2 . 31057 1 116 . 1 . 1 12 12 ARG HB3 H 1 1.9960 0.0000 . 2 . . . . A 12 ARG HB3 . 31057 1 117 . 1 . 1 12 12 ARG HG2 H 1 1.7270 0.0000 . 2 . . . . A 12 ARG HG2 . 31057 1 118 . 1 . 1 12 12 ARG HG3 H 1 1.7270 0.0000 . 2 . . . . A 12 ARG HG3 . 31057 1 119 . 1 . 1 12 12 ARG HD2 H 1 3.3060 0.0000 . 2 . . . . A 12 ARG HD2 . 31057 1 120 . 1 . 1 12 12 ARG HD3 H 1 3.3060 0.0000 . 2 . . . . A 12 ARG HD3 . 31057 1 121 . 1 . 1 12 12 ARG C C 13 177.9830 0.0000 . 1 . . . . A 12 ARG C . 31057 1 122 . 1 . 1 12 12 ARG CA C 13 59.8370 0.0000 . 1 . . . . A 12 ARG CA . 31057 1 123 . 1 . 1 12 12 ARG CB C 13 29.5310 0.0000 . 1 . . . . A 12 ARG CB . 31057 1 124 . 1 . 1 12 12 ARG CG C 13 27.1990 0.0000 . 1 . . . . A 12 ARG CG . 31057 1 125 . 1 . 1 12 12 ARG CD C 13 43.3080 0.0000 . 1 . . . . A 12 ARG CD . 31057 1 126 . 1 . 1 12 12 ARG N N 15 123.3410 0.0000 . 1 . . . . A 12 ARG N . 31057 1 127 . 1 . 1 13 13 PHE H H 1 8.4200 0.0000 . 1 . . . . A 13 PHE H . 31057 1 128 . 1 . 1 13 13 PHE HA H 1 4.2660 0.0000 . 1 . . . . A 13 PHE HA . 31057 1 129 . 1 . 1 13 13 PHE HB2 H 1 3.3770 0.0000 . 2 . . . . A 13 PHE HB2 . 31057 1 130 . 1 . 1 13 13 PHE HB3 H 1 2.9100 0.0000 . 2 . . . . A 13 PHE HB3 . 31057 1 131 . 1 . 1 13 13 PHE HD1 H 1 7.2400 0.0000 . 3 . . . . A 13 PHE HD1 . 31057 1 132 . 1 . 1 13 13 PHE HD2 H 1 7.2400 0.0000 . 3 . . . . A 13 PHE HD2 . 31057 1 133 . 1 . 1 13 13 PHE HE1 H 1 7.3340 0.0000 . 3 . . . . A 13 PHE HE1 . 31057 1 134 . 1 . 1 13 13 PHE HE2 H 1 7.3340 0.0000 . 3 . . . . A 13 PHE HE2 . 31057 1 135 . 1 . 1 13 13 PHE C C 13 176.9180 0.0000 . 1 . . . . A 13 PHE C . 31057 1 136 . 1 . 1 13 13 PHE CA C 13 61.3440 0.0000 . 1 . . . . A 13 PHE CA . 31057 1 137 . 1 . 1 13 13 PHE CB C 13 39.5930 0.0000 . 1 . . . . A 13 PHE CB . 31057 1 138 . 1 . 1 13 13 PHE CD1 C 13 131.8240 0.0000 . 3 . . . . A 13 PHE CD1 . 31057 1 139 . 1 . 1 13 13 PHE CD2 C 13 131.8240 0.0000 . 3 . . . . A 13 PHE CD2 . 31057 1 140 . 1 . 1 13 13 PHE CE1 C 13 132.1510 0.0000 . 3 . . . . A 13 PHE CE1 . 31057 1 141 . 1 . 1 13 13 PHE CE2 C 13 132.1510 0.0000 . 3 . . . . A 13 PHE CE2 . 31057 1 142 . 1 . 1 13 13 PHE N N 15 118.0160 0.0000 . 1 . . . . A 13 PHE N . 31057 1 143 . 1 . 1 14 14 GLN H H 1 7.7640 0.0000 . 1 . . . . A 14 GLN H . 31057 1 144 . 1 . 1 14 14 GLN HA H 1 3.5710 0.0000 . 1 . . . . A 14 GLN HA . 31057 1 145 . 1 . 1 14 14 GLN HB2 H 1 1.6260 0.0000 . 2 . . . . A 14 GLN HB2 . 31057 1 146 . 1 . 1 14 14 GLN HB3 H 1 1.6260 0.0000 . 2 . . . . A 14 GLN HB3 . 31057 1 147 . 1 . 1 14 14 GLN HG2 H 1 2.7920 0.0000 . 2 . . . . A 14 GLN HG2 . 31057 1 148 . 1 . 1 14 14 GLN HG3 H 1 2.4570 0.0000 . 2 . . . . A 14 GLN HG3 . 31057 1 149 . 1 . 1 14 14 GLN HE21 H 1 7.7180 0.0000 . 2 . . . . A 14 GLN HE21 . 31057 1 150 . 1 . 1 14 14 GLN HE22 H 1 6.8210 0.0000 . 2 . . . . A 14 GLN HE22 . 31057 1 151 . 1 . 1 14 14 GLN C C 13 177.3760 0.0000 . 1 . . . . A 14 GLN C . 31057 1 152 . 1 . 1 14 14 GLN CA C 13 59.2350 0.0000 . 1 . . . . A 14 GLN CA . 31057 1 153 . 1 . 1 14 14 GLN CB C 13 27.8190 0.0000 . 1 . . . . A 14 GLN CB . 31057 1 154 . 1 . 1 14 14 GLN CG C 13 35.1640 0.0000 . 1 . . . . A 14 GLN CG . 31057 1 155 . 1 . 1 14 14 GLN CD C 13 178.3690 0.0000 . 1 . . . . A 14 GLN CD . 31057 1 156 . 1 . 1 14 14 GLN N N 15 115.9950 0.0000 . 1 . . . . A 14 GLN N . 31057 1 157 . 1 . 1 14 14 GLN NE2 N 15 111.0350 0.0000 . 1 . . . . A 14 GLN NE2 . 31057 1 158 . 1 . 1 15 15 THR H H 1 8.5280 0.0000 . 1 . . . . A 15 THR H . 31057 1 159 . 1 . 1 15 15 THR HA H 1 3.4380 0.0000 . 1 . . . . A 15 THR HA . 31057 1 160 . 1 . 1 15 15 THR HB H 1 4.3310 0.0000 . 1 . . . . A 15 THR HB . 31057 1 161 . 1 . 1 15 15 THR HG21 H 1 1.3450 0.0000 . 1 . . . . A 15 THR HG21 . 31057 1 162 . 1 . 1 15 15 THR HG22 H 1 1.3450 0.0000 . 1 . . . . A 15 THR HG22 . 31057 1 163 . 1 . 1 15 15 THR HG23 H 1 1.3450 0.0000 . 1 . . . . A 15 THR HG23 . 31057 1 164 . 1 . 1 15 15 THR C C 13 175.5650 0.0000 . 1 . . . . A 15 THR C . 31057 1 165 . 1 . 1 15 15 THR CA C 13 67.4620 0.0000 . 1 . . . . A 15 THR CA . 31057 1 166 . 1 . 1 15 15 THR CB C 13 68.3770 0.0000 . 1 . . . . A 15 THR CB . 31057 1 167 . 1 . 1 15 15 THR CG2 C 13 22.2630 0.0000 . 1 . . . . A 15 THR CG2 . 31057 1 168 . 1 . 1 15 15 THR N N 15 113.6230 0.0000 . 1 . . . . A 15 THR N . 31057 1 169 . 1 . 1 16 16 LEU H H 1 8.2300 0.0000 . 1 . . . . A 16 LEU H . 31057 1 170 . 1 . 1 16 16 LEU HA H 1 3.9940 0.0000 . 1 . . . . A 16 LEU HA . 31057 1 171 . 1 . 1 16 16 LEU HB2 H 1 1.9170 0.0000 . 2 . . . . A 16 LEU HB2 . 31057 1 172 . 1 . 1 16 16 LEU HB3 H 1 1.4980 0.0000 . 2 . . . . A 16 LEU HB3 . 31057 1 173 . 1 . 1 16 16 LEU HG H 1 1.7910 0.0000 . 1 . . . . A 16 LEU HG . 31057 1 174 . 1 . 1 16 16 LEU HD11 H 1 0.9130 0.0000 . 2 . . . . A 16 LEU HD11 . 31057 1 175 . 1 . 1 16 16 LEU HD12 H 1 0.9130 0.0000 . 2 . . . . A 16 LEU HD12 . 31057 1 176 . 1 . 1 16 16 LEU HD13 H 1 0.9130 0.0000 . 2 . . . . A 16 LEU HD13 . 31057 1 177 . 1 . 1 16 16 LEU HD21 H 1 0.8880 0.0000 . 2 . . . . A 16 LEU HD21 . 31057 1 178 . 1 . 1 16 16 LEU HD22 H 1 0.8880 0.0000 . 2 . . . . A 16 LEU HD22 . 31057 1 179 . 1 . 1 16 16 LEU HD23 H 1 0.8880 0.0000 . 2 . . . . A 16 LEU HD23 . 31057 1 180 . 1 . 1 16 16 LEU C C 13 180.6320 0.0000 . 1 . . . . A 16 LEU C . 31057 1 181 . 1 . 1 16 16 LEU CA C 13 58.2960 0.0000 . 1 . . . . A 16 LEU CA . 31057 1 182 . 1 . 1 16 16 LEU CB C 13 41.8450 0.0000 . 1 . . . . A 16 LEU CB . 31057 1 183 . 1 . 1 16 16 LEU CG C 13 27.0690 0.0000 . 1 . . . . A 16 LEU CG . 31057 1 184 . 1 . 1 16 16 LEU CD1 C 13 25.1960 0.0000 . 2 . . . . A 16 LEU CD1 . 31057 1 185 . 1 . 1 16 16 LEU CD2 C 13 23.5150 0.0000 . 2 . . . . A 16 LEU CD2 . 31057 1 186 . 1 . 1 16 16 LEU N N 15 121.0050 0.0000 . 1 . . . . A 16 LEU N . 31057 1 187 . 1 . 1 17 17 GLU H H 1 7.7370 0.0000 . 1 . . . . A 17 GLU H . 31057 1 188 . 1 . 1 17 17 GLU HA H 1 3.8910 0.0000 . 1 . . . . A 17 GLU HA . 31057 1 189 . 1 . 1 17 17 GLU HB2 H 1 1.8880 0.0000 . 2 . . . . A 17 GLU HB2 . 31057 1 190 . 1 . 1 17 17 GLU HB3 H 1 1.8880 0.0000 . 2 . . . . A 17 GLU HB3 . 31057 1 191 . 1 . 1 17 17 GLU HG2 H 1 1.7140 0.0000 . 2 . . . . A 17 GLU HG2 . 31057 1 192 . 1 . 1 17 17 GLU HG3 H 1 1.5980 0.0000 . 2 . . . . A 17 GLU HG3 . 31057 1 193 . 1 . 1 17 17 GLU C C 13 179.7110 0.0000 . 1 . . . . A 17 GLU C . 31057 1 194 . 1 . 1 17 17 GLU CA C 13 58.7560 0.0000 . 1 . . . . A 17 GLU CA . 31057 1 195 . 1 . 1 17 17 GLU CB C 13 30.2770 0.0000 . 1 . . . . A 17 GLU CB . 31057 1 196 . 1 . 1 17 17 GLU CG C 13 36.1100 0.0000 . 1 . . . . A 17 GLU CG . 31057 1 197 . 1 . 1 17 17 GLU N N 15 118.9810 0.0000 . 1 . . . . A 17 GLU N . 31057 1 198 . 1 . 1 18 18 LEU H H 1 8.1910 0.0000 . 1 . . . . A 18 LEU H . 31057 1 199 . 1 . 1 18 18 LEU HA H 1 3.5920 0.0000 . 1 . . . . A 18 LEU HA . 31057 1 200 . 1 . 1 18 18 LEU HB2 H 1 0.4980 0.0000 . 2 . . . . A 18 LEU HB2 . 31057 1 201 . 1 . 1 18 18 LEU HB3 H 1 0.4980 0.0000 . 2 . . . . A 18 LEU HB3 . 31057 1 202 . 1 . 1 18 18 LEU HG H 1 1.1390 0.0000 . 1 . . . . A 18 LEU HG . 31057 1 203 . 1 . 1 18 18 LEU HD11 H 1 -0.5660 0.0000 . 2 . . . . A 18 LEU HD11 . 31057 1 204 . 1 . 1 18 18 LEU HD12 H 1 -0.5660 0.0000 . 2 . . . . A 18 LEU HD12 . 31057 1 205 . 1 . 1 18 18 LEU HD13 H 1 -0.5660 0.0000 . 2 . . . . A 18 LEU HD13 . 31057 1 206 . 1 . 1 18 18 LEU HD21 H 1 -1.0320 0.0000 . 2 . . . . A 18 LEU HD21 . 31057 1 207 . 1 . 1 18 18 LEU HD22 H 1 -1.0320 0.0000 . 2 . . . . A 18 LEU HD22 . 31057 1 208 . 1 . 1 18 18 LEU HD23 H 1 -1.0320 0.0000 . 2 . . . . A 18 LEU HD23 . 31057 1 209 . 1 . 1 18 18 LEU C C 13 177.8660 0.0000 . 1 . . . . A 18 LEU C . 31057 1 210 . 1 . 1 18 18 LEU CA C 13 58.4350 0.0000 . 1 . . . . A 18 LEU CA . 31057 1 211 . 1 . 1 18 18 LEU CB C 13 37.6910 0.0000 . 1 . . . . A 18 LEU CB . 31057 1 212 . 1 . 1 18 18 LEU CG C 13 25.9460 0.0000 . 1 . . . . A 18 LEU CG . 31057 1 213 . 1 . 1 18 18 LEU CD1 C 13 23.0300 0.0000 . 2 . . . . A 18 LEU CD1 . 31057 1 214 . 1 . 1 18 18 LEU CD2 C 13 23.0300 0.0000 . 2 . . . . A 18 LEU CD2 . 31057 1 215 . 1 . 1 18 18 LEU N N 15 123.3960 0.0000 . 1 . . . . A 18 LEU N . 31057 1 216 . 1 . 1 19 19 GLU H H 1 8.1860 0.0000 . 1 . . . . A 19 GLU H . 31057 1 217 . 1 . 1 19 19 GLU HA H 1 4.2560 0.0000 . 1 . . . . A 19 GLU HA . 31057 1 218 . 1 . 1 19 19 GLU HB2 H 1 2.1840 0.0000 . 2 . . . . A 19 GLU HB2 . 31057 1 219 . 1 . 1 19 19 GLU HB3 H 1 2.0520 0.0000 . 2 . . . . A 19 GLU HB3 . 31057 1 220 . 1 . 1 19 19 GLU HG2 H 1 2.5630 0.0000 . 2 . . . . A 19 GLU HG2 . 31057 1 221 . 1 . 1 19 19 GLU HG3 H 1 2.4090 0.0000 . 2 . . . . A 19 GLU HG3 . 31057 1 222 . 1 . 1 19 19 GLU C C 13 179.7350 0.0000 . 1 . . . . A 19 GLU C . 31057 1 223 . 1 . 1 19 19 GLU CA C 13 59.2220 0.0000 . 1 . . . . A 19 GLU CA . 31057 1 224 . 1 . 1 19 19 GLU CB C 13 29.1530 0.0000 . 1 . . . . A 19 GLU CB . 31057 1 225 . 1 . 1 19 19 GLU CG C 13 35.0560 0.0000 . 1 . . . . A 19 GLU CG . 31057 1 226 . 1 . 1 19 19 GLU N N 15 119.0070 0.0000 . 1 . . . . A 19 GLU N . 31057 1 227 . 1 . 1 20 20 LYS H H 1 7.7780 0.0000 . 1 . . . . A 20 LYS H . 31057 1 228 . 1 . 1 20 20 LYS HA H 1 4.0400 0.0000 . 1 . . . . A 20 LYS HA . 31057 1 229 . 1 . 1 20 20 LYS HB2 H 1 1.9580 0.0000 . 2 . . . . A 20 LYS HB2 . 31057 1 230 . 1 . 1 20 20 LYS HB3 H 1 1.9580 0.0000 . 2 . . . . A 20 LYS HB3 . 31057 1 231 . 1 . 1 20 20 LYS HG2 H 1 1.6340 0.0000 . 2 . . . . A 20 LYS HG2 . 31057 1 232 . 1 . 1 20 20 LYS HG3 H 1 1.4340 0.0000 . 2 . . . . A 20 LYS HG3 . 31057 1 233 . 1 . 1 20 20 LYS HD2 H 1 1.7370 0.0000 . 2 . . . . A 20 LYS HD2 . 31057 1 234 . 1 . 1 20 20 LYS HD3 H 1 1.7370 0.0000 . 2 . . . . A 20 LYS HD3 . 31057 1 235 . 1 . 1 20 20 LYS HE2 H 1 2.9400 0.0000 . 2 . . . . A 20 LYS HE2 . 31057 1 236 . 1 . 1 20 20 LYS HE3 H 1 2.9400 0.0000 . 2 . . . . A 20 LYS HE3 . 31057 1 237 . 1 . 1 20 20 LYS C C 13 179.2720 0.0000 . 1 . . . . A 20 LYS C . 31057 1 238 . 1 . 1 20 20 LYS CA C 13 59.8660 0.0000 . 1 . . . . A 20 LYS CA . 31057 1 239 . 1 . 1 20 20 LYS CB C 13 32.4050 0.0000 . 1 . . . . A 20 LYS CB . 31057 1 240 . 1 . 1 20 20 LYS CG C 13 24.9480 0.0000 . 1 . . . . A 20 LYS CG . 31057 1 241 . 1 . 1 20 20 LYS CD C 13 29.8410 0.0000 . 1 . . . . A 20 LYS CD . 31057 1 242 . 1 . 1 20 20 LYS CE C 13 42.2750 0.0000 . 1 . . . . A 20 LYS CE . 31057 1 243 . 1 . 1 20 20 LYS N N 15 120.3520 0.0000 . 1 . . . . A 20 LYS N . 31057 1 244 . 1 . 1 21 21 GLU H H 1 7.8970 0.0000 . 1 . . . . A 21 GLU H . 31057 1 245 . 1 . 1 21 21 GLU HA H 1 4.3060 0.0000 . 1 . . . . A 21 GLU HA . 31057 1 246 . 1 . 1 21 21 GLU HB2 H 1 2.3830 0.0000 . 2 . . . . A 21 GLU HB2 . 31057 1 247 . 1 . 1 21 21 GLU HB3 H 1 2.3830 0.0000 . 2 . . . . A 21 GLU HB3 . 31057 1 248 . 1 . 1 21 21 GLU HG2 H 1 2.4850 0.0000 . 2 . . . . A 21 GLU HG2 . 31057 1 249 . 1 . 1 21 21 GLU HG3 H 1 2.4850 0.0000 . 2 . . . . A 21 GLU HG3 . 31057 1 250 . 1 . 1 21 21 GLU C C 13 178.9880 0.0000 . 1 . . . . A 21 GLU C . 31057 1 251 . 1 . 1 21 21 GLU CA C 13 59.1590 0.0000 . 1 . . . . A 21 GLU CA . 31057 1 252 . 1 . 1 21 21 GLU CB C 13 28.8830 0.0000 . 1 . . . . A 21 GLU CB . 31057 1 253 . 1 . 1 21 21 GLU CG C 13 35.7580 0.0000 . 1 . . . . A 21 GLU CG . 31057 1 254 . 1 . 1 21 21 GLU N N 15 120.0010 0.0000 . 1 . . . . A 21 GLU N . 31057 1 255 . 1 . 1 22 22 PHE H H 1 9.0550 0.0000 . 1 . . . . A 22 PHE H . 31057 1 256 . 1 . 1 22 22 PHE HA H 1 4.6520 0.0000 . 1 . . . . A 22 PHE HA . 31057 1 257 . 1 . 1 22 22 PHE HB2 H 1 3.1730 0.0000 . 2 . . . . A 22 PHE HB2 . 31057 1 258 . 1 . 1 22 22 PHE HB3 H 1 3.0970 0.0000 . 2 . . . . A 22 PHE HB3 . 31057 1 259 . 1 . 1 22 22 PHE HD1 H 1 6.9660 0.0000 . 3 . . . . A 22 PHE HD1 . 31057 1 260 . 1 . 1 22 22 PHE HD2 H 1 6.9660 0.0000 . 3 . . . . A 22 PHE HD2 . 31057 1 261 . 1 . 1 22 22 PHE HE1 H 1 6.9380 0.0000 . 3 . . . . A 22 PHE HE1 . 31057 1 262 . 1 . 1 22 22 PHE HE2 H 1 6.9380 0.0000 . 3 . . . . A 22 PHE HE2 . 31057 1 263 . 1 . 1 22 22 PHE HZ H 1 6.3480 0.0000 . 1 . . . . A 22 PHE HZ . 31057 1 264 . 1 . 1 22 22 PHE C C 13 176.2510 0.0000 . 1 . . . . A 22 PHE C . 31057 1 265 . 1 . 1 22 22 PHE CA C 13 60.7900 0.0000 . 1 . . . . A 22 PHE CA . 31057 1 266 . 1 . 1 22 22 PHE CB C 13 39.2000 0.0000 . 1 . . . . A 22 PHE CB . 31057 1 267 . 1 . 1 22 22 PHE CD1 C 13 132.3610 0.0000 . 3 . . . . A 22 PHE CD1 . 31057 1 268 . 1 . 1 22 22 PHE CD2 C 13 132.3610 0.0000 . 3 . . . . A 22 PHE CD2 . 31057 1 269 . 1 . 1 22 22 PHE CE1 C 13 130.6270 0.0000 . 3 . . . . A 22 PHE CE1 . 31057 1 270 . 1 . 1 22 22 PHE CE2 C 13 130.6270 0.0000 . 3 . . . . A 22 PHE CE2 . 31057 1 271 . 1 . 1 22 22 PHE CZ C 13 127.9270 0.0000 . 1 . . . . A 22 PHE CZ . 31057 1 272 . 1 . 1 22 22 PHE N N 15 121.3360 0.0000 . 1 . . . . A 22 PHE N . 31057 1 273 . 1 . 1 23 23 HIS H H 1 7.9340 0.0000 . 1 . . . . A 23 HIS H . 31057 1 274 . 1 . 1 23 23 HIS HA H 1 4.2640 0.0000 . 1 . . . . A 23 HIS HA . 31057 1 275 . 1 . 1 23 23 HIS HB2 H 1 3.2370 0.0000 . 2 . . . . A 23 HIS HB2 . 31057 1 276 . 1 . 1 23 23 HIS HB3 H 1 3.2370 0.0000 . 2 . . . . A 23 HIS HB3 . 31057 1 277 . 1 . 1 23 23 HIS HD2 H 1 6.8190 0.0000 . 1 . . . . A 23 HIS HD2 . 31057 1 278 . 1 . 1 23 23 HIS C C 13 176.9220 0.0000 . 1 . . . . A 23 HIS C . 31057 1 279 . 1 . 1 23 23 HIS CA C 13 58.8950 0.0000 . 1 . . . . A 23 HIS CA . 31057 1 280 . 1 . 1 23 23 HIS CB C 13 29.1530 0.0000 . 1 . . . . A 23 HIS CB . 31057 1 281 . 1 . 1 23 23 HIS CD2 C 13 120.2970 0.0000 . 1 . . . . A 23 HIS CD2 . 31057 1 282 . 1 . 1 23 23 HIS N N 15 114.3180 0.0000 . 1 . . . . A 23 HIS N . 31057 1 283 . 1 . 1 24 24 PHE H H 1 7.6250 0.0000 . 1 . . . . A 24 PHE H . 31057 1 284 . 1 . 1 24 24 PHE HA H 1 4.4620 0.0000 . 1 . . . . A 24 PHE HA . 31057 1 285 . 1 . 1 24 24 PHE HB2 H 1 3.2850 0.0000 . 2 . . . . A 24 PHE HB2 . 31057 1 286 . 1 . 1 24 24 PHE HB3 H 1 3.2850 0.0000 . 2 . . . . A 24 PHE HB3 . 31057 1 287 . 1 . 1 24 24 PHE HD1 H 1 7.4110 0.0000 . 3 . . . . A 24 PHE HD1 . 31057 1 288 . 1 . 1 24 24 PHE HD2 H 1 7.4110 0.0000 . 3 . . . . A 24 PHE HD2 . 31057 1 289 . 1 . 1 24 24 PHE HE1 H 1 7.4190 0.0000 . 3 . . . . A 24 PHE HE1 . 31057 1 290 . 1 . 1 24 24 PHE HE2 H 1 7.4190 0.0000 . 3 . . . . A 24 PHE HE2 . 31057 1 291 . 1 . 1 24 24 PHE C C 13 176.2130 0.0000 . 1 . . . . A 24 PHE C . 31057 1 292 . 1 . 1 24 24 PHE CA C 13 59.7710 0.0000 . 1 . . . . A 24 PHE CA . 31057 1 293 . 1 . 1 24 24 PHE CB C 13 39.7540 0.0000 . 1 . . . . A 24 PHE CB . 31057 1 294 . 1 . 1 24 24 PHE CD1 C 13 131.4930 0.0000 . 3 . . . . A 24 PHE CD1 . 31057 1 295 . 1 . 1 24 24 PHE CD2 C 13 131.4930 0.0000 . 3 . . . . A 24 PHE CD2 . 31057 1 296 . 1 . 1 24 24 PHE CE1 C 13 132.1500 0.0000 . 3 . . . . A 24 PHE CE1 . 31057 1 297 . 1 . 1 24 24 PHE CE2 C 13 132.1500 0.0000 . 3 . . . . A 24 PHE CE2 . 31057 1 298 . 1 . 1 24 24 PHE N N 15 117.3460 0.0000 . 1 . . . . A 24 PHE N . 31057 1 299 . 1 . 1 25 25 ASN H H 1 8.3400 0.0000 . 1 . . . . A 25 ASN H . 31057 1 300 . 1 . 1 25 25 ASN HA H 1 4.6300 0.0000 . 1 . . . . A 25 ASN HA . 31057 1 301 . 1 . 1 25 25 ASN HB2 H 1 2.9060 0.0000 . 2 . . . . A 25 ASN HB2 . 31057 1 302 . 1 . 1 25 25 ASN HB3 H 1 2.9060 0.0000 . 2 . . . . A 25 ASN HB3 . 31057 1 303 . 1 . 1 25 25 ASN HD21 H 1 8.0650 0.0000 . 2 . . . . A 25 ASN HD21 . 31057 1 304 . 1 . 1 25 25 ASN HD22 H 1 7.2910 0.0000 . 2 . . . . A 25 ASN HD22 . 31057 1 305 . 1 . 1 25 25 ASN C C 13 173.3300 0.0000 . 1 . . . . A 25 ASN C . 31057 1 306 . 1 . 1 25 25 ASN CA C 13 53.1900 0.0000 . 1 . . . . A 25 ASN CA . 31057 1 307 . 1 . 1 25 25 ASN CB C 13 41.1150 0.0000 . 1 . . . . A 25 ASN CB . 31057 1 308 . 1 . 1 25 25 ASN CG C 13 177.3580 0.0000 . 1 . . . . A 25 ASN CG . 31057 1 309 . 1 . 1 25 25 ASN N N 15 116.6690 0.0000 . 1 . . . . A 25 ASN N . 31057 1 310 . 1 . 1 25 25 ASN ND2 N 15 115.6100 0.0000 . 1 . . . . A 25 ASN ND2 . 31057 1 311 . 1 . 1 26 26 HIS H H 1 8.6520 0.0000 . 1 . . . . A 26 HIS H . 31057 1 312 . 1 . 1 26 26 HIS HA H 1 4.2720 0.0000 . 1 . . . . A 26 HIS HA . 31057 1 313 . 1 . 1 26 26 HIS HB2 H 1 3.0070 0.0000 . 2 . . . . A 26 HIS HB2 . 31057 1 314 . 1 . 1 26 26 HIS HB3 H 1 2.7290 0.0000 . 2 . . . . A 26 HIS HB3 . 31057 1 315 . 1 . 1 26 26 HIS HD2 H 1 6.6800 0.0000 . 1 . . . . A 26 HIS HD2 . 31057 1 316 . 1 . 1 26 26 HIS C C 13 173.2120 0.0000 . 1 . . . . A 26 HIS C . 31057 1 317 . 1 . 1 26 26 HIS CA C 13 54.6490 0.0000 . 1 . . . . A 26 HIS CA . 31057 1 318 . 1 . 1 26 26 HIS CB C 13 29.1460 0.0000 . 1 . . . . A 26 HIS CB . 31057 1 319 . 1 . 1 26 26 HIS CD2 C 13 119.7370 0.0000 . 1 . . . . A 26 HIS CD2 . 31057 1 320 . 1 . 1 26 26 HIS N N 15 119.3720 0.0000 . 1 . . . . A 26 HIS N . 31057 1 321 . 1 . 1 27 27 TYR H H 1 7.9900 0.0000 . 1 . . . . A 27 TYR H . 31057 1 322 . 1 . 1 27 27 TYR HA H 1 4.7480 0.0000 . 1 . . . . A 27 TYR HA . 31057 1 323 . 1 . 1 27 27 TYR HB2 H 1 3.0050 0.0000 . 2 . . . . A 27 TYR HB2 . 31057 1 324 . 1 . 1 27 27 TYR HB3 H 1 2.7470 0.0000 . 2 . . . . A 27 TYR HB3 . 31057 1 325 . 1 . 1 27 27 TYR HD1 H 1 7.1960 0.0000 . 3 . . . . A 27 TYR HD1 . 31057 1 326 . 1 . 1 27 27 TYR HD2 H 1 7.1960 0.0000 . 3 . . . . A 27 TYR HD2 . 31057 1 327 . 1 . 1 27 27 TYR HE1 H 1 6.8750 0.0000 . 3 . . . . A 27 TYR HE1 . 31057 1 328 . 1 . 1 27 27 TYR HE2 H 1 6.8750 0.0000 . 3 . . . . A 27 TYR HE2 . 31057 1 329 . 1 . 1 27 27 TYR C C 13 174.7390 0.0000 . 1 . . . . A 27 TYR C . 31057 1 330 . 1 . 1 27 27 TYR CA C 13 56.8150 0.0000 . 1 . . . . A 27 TYR CA . 31057 1 331 . 1 . 1 27 27 TYR CB C 13 41.0870 0.0000 . 1 . . . . A 27 TYR CB . 31057 1 332 . 1 . 1 27 27 TYR CD1 C 13 133.5980 0.0000 . 3 . . . . A 27 TYR CD1 . 31057 1 333 . 1 . 1 27 27 TYR CD2 C 13 133.5980 0.0000 . 3 . . . . A 27 TYR CD2 . 31057 1 334 . 1 . 1 27 27 TYR CE1 C 13 117.9400 0.0000 . 3 . . . . A 27 TYR CE1 . 31057 1 335 . 1 . 1 27 27 TYR CE2 C 13 117.9400 0.0000 . 3 . . . . A 27 TYR CE2 . 31057 1 336 . 1 . 1 27 27 TYR N N 15 114.9670 0.0000 . 1 . . . . A 27 TYR N . 31057 1 337 . 1 . 1 28 28 LEU H H 1 8.4130 0.0000 . 1 . . . . A 28 LEU H . 31057 1 338 . 1 . 1 28 28 LEU HA H 1 4.7110 0.0000 . 1 . . . . A 28 LEU HA . 31057 1 339 . 1 . 1 28 28 LEU HB2 H 1 1.5500 0.0000 . 2 . . . . A 28 LEU HB2 . 31057 1 340 . 1 . 1 28 28 LEU HB3 H 1 1.2780 0.0000 . 2 . . . . A 28 LEU HB3 . 31057 1 341 . 1 . 1 28 28 LEU HG H 1 0.7310 0.0000 . 1 . . . . A 28 LEU HG . 31057 1 342 . 1 . 1 28 28 LEU HD11 H 1 0.2470 0.0000 . 2 . . . . A 28 LEU HD11 . 31057 1 343 . 1 . 1 28 28 LEU HD12 H 1 0.2470 0.0000 . 2 . . . . A 28 LEU HD12 . 31057 1 344 . 1 . 1 28 28 LEU HD13 H 1 0.2470 0.0000 . 2 . . . . A 28 LEU HD13 . 31057 1 345 . 1 . 1 28 28 LEU HD21 H 1 0.5870 0.0000 . 2 . . . . A 28 LEU HD21 . 31057 1 346 . 1 . 1 28 28 LEU HD22 H 1 0.5870 0.0000 . 2 . . . . A 28 LEU HD22 . 31057 1 347 . 1 . 1 28 28 LEU HD23 H 1 0.5870 0.0000 . 2 . . . . A 28 LEU HD23 . 31057 1 348 . 1 . 1 28 28 LEU C C 13 178.4860 0.0000 . 1 . . . . A 28 LEU C . 31057 1 349 . 1 . 1 28 28 LEU CA C 13 53.3870 0.0000 . 1 . . . . A 28 LEU CA . 31057 1 350 . 1 . 1 28 28 LEU CB C 13 44.5560 0.0000 . 1 . . . . A 28 LEU CB . 31057 1 351 . 1 . 1 28 28 LEU CG C 13 26.3520 0.0000 . 1 . . . . A 28 LEU CG . 31057 1 352 . 1 . 1 28 28 LEU CD1 C 13 26.6700 0.0000 . 2 . . . . A 28 LEU CD1 . 31057 1 353 . 1 . 1 28 28 LEU CD2 C 13 23.8530 0.0000 . 2 . . . . A 28 LEU CD2 . 31057 1 354 . 1 . 1 28 28 LEU N N 15 121.6840 0.0000 . 1 . . . . A 28 LEU N . 31057 1 355 . 1 . 1 29 29 THR H H 1 7.6410 0.0000 . 1 . . . . A 29 THR H . 31057 1 356 . 1 . 1 29 29 THR HA H 1 4.4450 0.0000 . 1 . . . . A 29 THR HA . 31057 1 357 . 1 . 1 29 29 THR HB H 1 4.7010 0.0000 . 1 . . . . A 29 THR HB . 31057 1 358 . 1 . 1 29 29 THR HG21 H 1 1.3970 0.0000 . 1 . . . . A 29 THR HG21 . 31057 1 359 . 1 . 1 29 29 THR HG22 H 1 1.3970 0.0000 . 1 . . . . A 29 THR HG22 . 31057 1 360 . 1 . 1 29 29 THR HG23 H 1 1.3970 0.0000 . 1 . . . . A 29 THR HG23 . 31057 1 361 . 1 . 1 29 29 THR C C 13 175.0760 0.0000 . 1 . . . . A 29 THR C . 31057 1 362 . 1 . 1 29 29 THR CA C 13 60.3730 0.0000 . 1 . . . . A 29 THR CA . 31057 1 363 . 1 . 1 29 29 THR CB C 13 70.9360 0.0000 . 1 . . . . A 29 THR CB . 31057 1 364 . 1 . 1 29 29 THR CG2 C 13 22.0820 0.0000 . 1 . . . . A 29 THR CG2 . 31057 1 365 . 1 . 1 29 29 THR N N 15 111.7330 0.0000 . 1 . . . . A 29 THR N . 31057 1 366 . 1 . 1 30 30 ARG H H 1 8.8580 0.0000 . 1 . . . . A 30 ARG H . 31057 1 367 . 1 . 1 30 30 ARG HA H 1 3.8550 0.0000 . 1 . . . . A 30 ARG HA . 31057 1 368 . 1 . 1 30 30 ARG HB2 H 1 1.9090 0.0000 . 2 . . . . A 30 ARG HB2 . 31057 1 369 . 1 . 1 30 30 ARG HB3 H 1 1.9090 0.0000 . 2 . . . . A 30 ARG HB3 . 31057 1 370 . 1 . 1 30 30 ARG HG2 H 1 1.7120 0.0000 . 2 . . . . A 30 ARG HG2 . 31057 1 371 . 1 . 1 30 30 ARG HG3 H 1 1.7120 0.0000 . 2 . . . . A 30 ARG HG3 . 31057 1 372 . 1 . 1 30 30 ARG HD2 H 1 3.2440 0.0000 . 2 . . . . A 30 ARG HD2 . 31057 1 373 . 1 . 1 30 30 ARG HD3 H 1 3.2440 0.0000 . 2 . . . . A 30 ARG HD3 . 31057 1 374 . 1 . 1 30 30 ARG C C 13 178.0320 0.0000 . 1 . . . . A 30 ARG C . 31057 1 375 . 1 . 1 30 30 ARG CA C 13 60.2990 0.0000 . 1 . . . . A 30 ARG CA . 31057 1 376 . 1 . 1 30 30 ARG CB C 13 29.3810 0.0000 . 1 . . . . A 30 ARG CB . 31057 1 377 . 1 . 1 30 30 ARG CG C 13 27.7170 0.0000 . 1 . . . . A 30 ARG CG . 31057 1 378 . 1 . 1 30 30 ARG CD C 13 43.3780 0.0000 . 1 . . . . A 30 ARG CD . 31057 1 379 . 1 . 1 30 30 ARG N N 15 122.6810 0.0000 . 1 . . . . A 30 ARG N . 31057 1 380 . 1 . 1 31 31 ARG H H 1 8.3310 0.0000 . 1 . . . . A 31 ARG H . 31057 1 381 . 1 . 1 31 31 ARG HA H 1 3.9580 0.0000 . 1 . . . . A 31 ARG HA . 31057 1 382 . 1 . 1 31 31 ARG HB2 H 1 1.9140 0.0000 . 2 . . . . A 31 ARG HB2 . 31057 1 383 . 1 . 1 31 31 ARG HB3 H 1 1.7160 0.0000 . 2 . . . . A 31 ARG HB3 . 31057 1 384 . 1 . 1 31 31 ARG HG2 H 1 1.5900 0.0000 . 2 . . . . A 31 ARG HG2 . 31057 1 385 . 1 . 1 31 31 ARG HG3 H 1 1.5900 0.0000 . 2 . . . . A 31 ARG HG3 . 31057 1 386 . 1 . 1 31 31 ARG HD2 H 1 3.2180 0.0000 . 2 . . . . A 31 ARG HD2 . 31057 1 387 . 1 . 1 31 31 ARG HD3 H 1 3.2180 0.0000 . 2 . . . . A 31 ARG HD3 . 31057 1 388 . 1 . 1 31 31 ARG C C 13 178.5180 0.0000 . 1 . . . . A 31 ARG C . 31057 1 389 . 1 . 1 31 31 ARG CA C 13 59.2550 0.0000 . 1 . . . . A 31 ARG CA . 31057 1 390 . 1 . 1 31 31 ARG CB C 13 29.9390 0.0000 . 1 . . . . A 31 ARG CB . 31057 1 391 . 1 . 1 31 31 ARG CG C 13 26.9370 0.0000 . 1 . . . . A 31 ARG CG . 31057 1 392 . 1 . 1 31 31 ARG CD C 13 43.2910 0.0000 . 1 . . . . A 31 ARG CD . 31057 1 393 . 1 . 1 31 31 ARG N N 15 115.9920 0.0000 . 1 . . . . A 31 ARG N . 31057 1 394 . 1 . 1 32 32 ARG H H 1 7.7060 0.0000 . 1 . . . . A 32 ARG H . 31057 1 395 . 1 . 1 32 32 ARG HA H 1 4.1770 0.0000 . 1 . . . . A 32 ARG HA . 31057 1 396 . 1 . 1 32 32 ARG HB2 H 1 1.9300 0.0000 . 2 . . . . A 32 ARG HB2 . 31057 1 397 . 1 . 1 32 32 ARG HB3 H 1 1.9300 0.0000 . 2 . . . . A 32 ARG HB3 . 31057 1 398 . 1 . 1 32 32 ARG HG2 H 1 1.8260 0.0000 . 2 . . . . A 32 ARG HG2 . 31057 1 399 . 1 . 1 32 32 ARG HG3 H 1 1.5990 0.0000 . 2 . . . . A 32 ARG HG3 . 31057 1 400 . 1 . 1 32 32 ARG HD2 H 1 3.5940 0.0000 . 2 . . . . A 32 ARG HD2 . 31057 1 401 . 1 . 1 32 32 ARG HD3 H 1 3.1100 0.0000 . 2 . . . . A 32 ARG HD3 . 31057 1 402 . 1 . 1 32 32 ARG C C 13 177.8020 0.0000 . 1 . . . . A 32 ARG C . 31057 1 403 . 1 . 1 32 32 ARG CA C 13 57.3900 0.0000 . 1 . . . . A 32 ARG CA . 31057 1 404 . 1 . 1 32 32 ARG CB C 13 29.8480 0.0000 . 1 . . . . A 32 ARG CB . 31057 1 405 . 1 . 1 32 32 ARG CG C 13 26.7300 0.0000 . 1 . . . . A 32 ARG CG . 31057 1 406 . 1 . 1 32 32 ARG CD C 13 42.8910 0.0000 . 1 . . . . A 32 ARG CD . 31057 1 407 . 1 . 1 32 32 ARG N N 15 119.2650 0.0000 . 1 . . . . A 32 ARG N . 31057 1 408 . 1 . 1 33 33 ARG H H 1 8.4760 0.0000 . 1 . . . . A 33 ARG H . 31057 1 409 . 1 . 1 33 33 ARG HA H 1 3.7520 0.0000 . 1 . . . . A 33 ARG HA . 31057 1 410 . 1 . 1 33 33 ARG HB2 H 1 2.0460 0.0000 . 2 . . . . A 33 ARG HB2 . 31057 1 411 . 1 . 1 33 33 ARG HB3 H 1 1.8910 0.0000 . 2 . . . . A 33 ARG HB3 . 31057 1 412 . 1 . 1 33 33 ARG HG2 H 1 1.6470 0.0000 . 2 . . . . A 33 ARG HG2 . 31057 1 413 . 1 . 1 33 33 ARG HG3 H 1 1.4910 0.0000 . 2 . . . . A 33 ARG HG3 . 31057 1 414 . 1 . 1 33 33 ARG HD2 H 1 3.5480 0.0000 . 2 . . . . A 33 ARG HD2 . 31057 1 415 . 1 . 1 33 33 ARG HD3 H 1 3.3530 0.0000 . 2 . . . . A 33 ARG HD3 . 31057 1 416 . 1 . 1 33 33 ARG C C 13 177.7100 0.0000 . 1 . . . . A 33 ARG C . 31057 1 417 . 1 . 1 33 33 ARG CA C 13 60.8130 0.0000 . 1 . . . . A 33 ARG CA . 31057 1 418 . 1 . 1 33 33 ARG CB C 13 30.4410 0.0000 . 1 . . . . A 33 ARG CB . 31057 1 419 . 1 . 1 33 33 ARG CG C 13 28.6780 0.0000 . 1 . . . . A 33 ARG CG . 31057 1 420 . 1 . 1 33 33 ARG CD C 13 43.8470 0.0000 . 1 . . . . A 33 ARG CD . 31057 1 421 . 1 . 1 33 33 ARG N N 15 119.3410 0.0000 . 1 . . . . A 33 ARG N . 31057 1 422 . 1 . 1 34 34 ILE H H 1 7.9730 0.0000 . 1 . . . . A 34 ILE H . 31057 1 423 . 1 . 1 34 34 ILE HA H 1 3.5670 0.0000 . 1 . . . . A 34 ILE HA . 31057 1 424 . 1 . 1 34 34 ILE HB H 1 1.9080 0.0000 . 1 . . . . A 34 ILE HB . 31057 1 425 . 1 . 1 34 34 ILE HG12 H 1 1.7630 0.0000 . 2 . . . . A 34 ILE HG12 . 31057 1 426 . 1 . 1 34 34 ILE HG13 H 1 1.0810 0.0000 . 2 . . . . A 34 ILE HG13 . 31057 1 427 . 1 . 1 34 34 ILE HG21 H 1 0.8690 0.0000 . 1 . . . . A 34 ILE HG21 . 31057 1 428 . 1 . 1 34 34 ILE HG22 H 1 0.8690 0.0000 . 1 . . . . A 34 ILE HG22 . 31057 1 429 . 1 . 1 34 34 ILE HG23 H 1 0.8690 0.0000 . 1 . . . . A 34 ILE HG23 . 31057 1 430 . 1 . 1 34 34 ILE HD11 H 1 0.8480 0.0000 . 1 . . . . A 34 ILE HD11 . 31057 1 431 . 1 . 1 34 34 ILE HD12 H 1 0.8480 0.0000 . 1 . . . . A 34 ILE HD12 . 31057 1 432 . 1 . 1 34 34 ILE HD13 H 1 0.8480 0.0000 . 1 . . . . A 34 ILE HD13 . 31057 1 433 . 1 . 1 34 34 ILE C C 13 178.1470 0.0000 . 1 . . . . A 34 ILE C . 31057 1 434 . 1 . 1 34 34 ILE CA C 13 65.4530 0.0000 . 1 . . . . A 34 ILE CA . 31057 1 435 . 1 . 1 34 34 ILE CB C 13 38.3190 0.0000 . 1 . . . . A 34 ILE CB . 31057 1 436 . 1 . 1 34 34 ILE CG1 C 13 29.4700 0.0000 . 1 . . . . A 34 ILE CG1 . 31057 1 437 . 1 . 1 34 34 ILE CG2 C 13 17.2110 0.0000 . 1 . . . . A 34 ILE CG2 . 31057 1 438 . 1 . 1 34 34 ILE CD1 C 13 13.6810 0.0000 . 1 . . . . A 34 ILE CD1 . 31057 1 439 . 1 . 1 34 34 ILE N N 15 118.2810 0.0000 . 1 . . . . A 34 ILE N . 31057 1 440 . 1 . 1 35 35 GLU H H 1 7.7830 0.0000 . 1 . . . . A 35 GLU H . 31057 1 441 . 1 . 1 35 35 GLU HA H 1 4.0900 0.0000 . 1 . . . . A 35 GLU HA . 31057 1 442 . 1 . 1 35 35 GLU HB2 H 1 2.3490 0.0000 . 2 . . . . A 35 GLU HB2 . 31057 1 443 . 1 . 1 35 35 GLU HB3 H 1 2.0700 0.0000 . 2 . . . . A 35 GLU HB3 . 31057 1 444 . 1 . 1 35 35 GLU HG2 H 1 2.5960 0.0000 . 2 . . . . A 35 GLU HG2 . 31057 1 445 . 1 . 1 35 35 GLU HG3 H 1 2.2930 0.0000 . 2 . . . . A 35 GLU HG3 . 31057 1 446 . 1 . 1 35 35 GLU C C 13 180.5740 0.0000 . 1 . . . . A 35 GLU C . 31057 1 447 . 1 . 1 35 35 GLU CA C 13 59.7410 0.0000 . 1 . . . . A 35 GLU CA . 31057 1 448 . 1 . 1 35 35 GLU CB C 13 30.3430 0.0000 . 1 . . . . A 35 GLU CB . 31057 1 449 . 1 . 1 35 35 GLU CG C 13 36.4350 0.0000 . 1 . . . . A 35 GLU CG . 31057 1 450 . 1 . 1 35 35 GLU N N 15 120.3390 0.0000 . 1 . . . . A 35 GLU N . 31057 1 451 . 1 . 1 36 36 ILE H H 1 8.6690 0.0000 . 1 . . . . A 36 ILE H . 31057 1 452 . 1 . 1 36 36 ILE HA H 1 3.9070 0.0000 . 1 . . . . A 36 ILE HA . 31057 1 453 . 1 . 1 36 36 ILE HB H 1 1.7810 0.0000 . 1 . . . . A 36 ILE HB . 31057 1 454 . 1 . 1 36 36 ILE HG12 H 1 1.1660 0.0000 . 2 . . . . A 36 ILE HG12 . 31057 1 455 . 1 . 1 36 36 ILE HG13 H 1 1.1660 0.0000 . 2 . . . . A 36 ILE HG13 . 31057 1 456 . 1 . 1 36 36 ILE HG21 H 1 0.9010 0.0000 . 1 . . . . A 36 ILE HG21 . 31057 1 457 . 1 . 1 36 36 ILE HG22 H 1 0.9010 0.0000 . 1 . . . . A 36 ILE HG22 . 31057 1 458 . 1 . 1 36 36 ILE HG23 H 1 0.9010 0.0000 . 1 . . . . A 36 ILE HG23 . 31057 1 459 . 1 . 1 36 36 ILE HD11 H 1 0.7810 0.0000 . 1 . . . . A 36 ILE HD11 . 31057 1 460 . 1 . 1 36 36 ILE HD12 H 1 0.7810 0.0000 . 1 . . . . A 36 ILE HD12 . 31057 1 461 . 1 . 1 36 36 ILE HD13 H 1 0.7810 0.0000 . 1 . . . . A 36 ILE HD13 . 31057 1 462 . 1 . 1 36 36 ILE C C 13 177.2080 0.0000 . 1 . . . . A 36 ILE C . 31057 1 463 . 1 . 1 36 36 ILE CA C 13 64.7390 0.0000 . 1 . . . . A 36 ILE CA . 31057 1 464 . 1 . 1 36 36 ILE CB C 13 38.0190 0.0000 . 1 . . . . A 36 ILE CB . 31057 1 465 . 1 . 1 36 36 ILE CG1 C 13 28.5300 0.0000 . 1 . . . . A 36 ILE CG1 . 31057 1 466 . 1 . 1 36 36 ILE CG2 C 13 18.0500 0.0000 . 1 . . . . A 36 ILE CG2 . 31057 1 467 . 1 . 1 36 36 ILE CD1 C 13 14.3490 0.0000 . 1 . . . . A 36 ILE CD1 . 31057 1 468 . 1 . 1 36 36 ILE N N 15 120.6830 0.0000 . 1 . . . . A 36 ILE N . 31057 1 469 . 1 . 1 37 37 ALA H H 1 8.3680 0.0000 . 1 . . . . A 37 ALA H . 31057 1 470 . 1 . 1 37 37 ALA HA H 1 3.7910 0.0000 . 1 . . . . A 37 ALA HA . 31057 1 471 . 1 . 1 37 37 ALA HB1 H 1 1.4930 0.0000 . 1 . . . . A 37 ALA HB1 . 31057 1 472 . 1 . 1 37 37 ALA HB2 H 1 1.4930 0.0000 . 1 . . . . A 37 ALA HB2 . 31057 1 473 . 1 . 1 37 37 ALA HB3 H 1 1.4930 0.0000 . 1 . . . . A 37 ALA HB3 . 31057 1 474 . 1 . 1 37 37 ALA C C 13 180.1360 0.0000 . 1 . . . . A 37 ALA C . 31057 1 475 . 1 . 1 37 37 ALA CA C 13 56.5430 0.0000 . 1 . . . . A 37 ALA CA . 31057 1 476 . 1 . 1 37 37 ALA CB C 13 17.4310 0.0000 . 1 . . . . A 37 ALA CB . 31057 1 477 . 1 . 1 37 37 ALA N N 15 124.3420 0.0000 . 1 . . . . A 37 ALA N . 31057 1 478 . 1 . 1 38 38 HIS H H 1 8.0200 0.0000 . 1 . . . . A 38 HIS H . 31057 1 479 . 1 . 1 38 38 HIS HA H 1 4.4820 0.0000 . 1 . . . . A 38 HIS HA . 31057 1 480 . 1 . 1 38 38 HIS HB2 H 1 3.3570 0.0000 . 2 . . . . A 38 HIS HB2 . 31057 1 481 . 1 . 1 38 38 HIS HB3 H 1 3.3570 0.0000 . 2 . . . . A 38 HIS HB3 . 31057 1 482 . 1 . 1 38 38 HIS HD2 H 1 7.2780 0.0000 . 1 . . . . A 38 HIS HD2 . 31057 1 483 . 1 . 1 38 38 HIS C C 13 178.0180 0.0000 . 1 . . . . A 38 HIS C . 31057 1 484 . 1 . 1 38 38 HIS CA C 13 58.4100 0.0000 . 1 . . . . A 38 HIS CA . 31057 1 485 . 1 . 1 38 38 HIS CB C 13 29.1410 0.0000 . 1 . . . . A 38 HIS CB . 31057 1 486 . 1 . 1 38 38 HIS CD2 C 13 119.8070 0.0000 . 1 . . . . A 38 HIS CD2 . 31057 1 487 . 1 . 1 38 38 HIS N N 15 114.2630 0.0000 . 1 . . . . A 38 HIS N . 31057 1 488 . 1 . 1 39 39 ALA H H 1 8.1850 0.0000 . 1 . . . . A 39 ALA H . 31057 1 489 . 1 . 1 39 39 ALA HA H 1 4.1940 0.0000 . 1 . . . . A 39 ALA HA . 31057 1 490 . 1 . 1 39 39 ALA HB1 H 1 1.6200 0.0000 . 1 . . . . A 39 ALA HB1 . 31057 1 491 . 1 . 1 39 39 ALA HB2 H 1 1.6200 0.0000 . 1 . . . . A 39 ALA HB2 . 31057 1 492 . 1 . 1 39 39 ALA HB3 H 1 1.6200 0.0000 . 1 . . . . A 39 ALA HB3 . 31057 1 493 . 1 . 1 39 39 ALA C C 13 179.7480 0.0000 . 1 . . . . A 39 ALA C . 31057 1 494 . 1 . 1 39 39 ALA CA C 13 55.1190 0.0000 . 1 . . . . A 39 ALA CA . 31057 1 495 . 1 . 1 39 39 ALA CB C 13 18.7460 0.0000 . 1 . . . . A 39 ALA CB . 31057 1 496 . 1 . 1 39 39 ALA N N 15 121.6670 0.0000 . 1 . . . . A 39 ALA N . 31057 1 497 . 1 . 1 40 40 LEU H H 1 8.3990 0.0000 . 1 . . . . A 40 LEU H . 31057 1 498 . 1 . 1 40 40 LEU HA H 1 4.5810 0.0000 . 1 . . . . A 40 LEU HA . 31057 1 499 . 1 . 1 40 40 LEU HB2 H 1 1.7180 0.0000 . 2 . . . . A 40 LEU HB2 . 31057 1 500 . 1 . 1 40 40 LEU HB3 H 1 1.5510 0.0000 . 2 . . . . A 40 LEU HB3 . 31057 1 501 . 1 . 1 40 40 LEU HG H 1 1.9790 0.0000 . 1 . . . . A 40 LEU HG . 31057 1 502 . 1 . 1 40 40 LEU HD11 H 1 0.6970 0.0000 . 2 . . . . A 40 LEU HD11 . 31057 1 503 . 1 . 1 40 40 LEU HD12 H 1 0.6970 0.0000 . 2 . . . . A 40 LEU HD12 . 31057 1 504 . 1 . 1 40 40 LEU HD13 H 1 0.6970 0.0000 . 2 . . . . A 40 LEU HD13 . 31057 1 505 . 1 . 1 40 40 LEU HD21 H 1 0.7360 0.0000 . 2 . . . . A 40 LEU HD21 . 31057 1 506 . 1 . 1 40 40 LEU HD22 H 1 0.7360 0.0000 . 2 . . . . A 40 LEU HD22 . 31057 1 507 . 1 . 1 40 40 LEU HD23 H 1 0.7360 0.0000 . 2 . . . . A 40 LEU HD23 . 31057 1 508 . 1 . 1 40 40 LEU C C 13 176.4300 0.0000 . 1 . . . . A 40 LEU C . 31057 1 509 . 1 . 1 40 40 LEU CA C 13 54.2770 0.0000 . 1 . . . . A 40 LEU CA . 31057 1 510 . 1 . 1 40 40 LEU CB C 13 42.6490 0.0000 . 1 . . . . A 40 LEU CB . 31057 1 511 . 1 . 1 40 40 LEU CG C 13 26.8440 0.0000 . 1 . . . . A 40 LEU CG . 31057 1 512 . 1 . 1 40 40 LEU CD1 C 13 26.3170 0.0000 . 2 . . . . A 40 LEU CD1 . 31057 1 513 . 1 . 1 40 40 LEU CD2 C 13 22.9820 0.0000 . 2 . . . . A 40 LEU CD2 . 31057 1 514 . 1 . 1 40 40 LEU N N 15 112.9900 0.0000 . 1 . . . . A 40 LEU N . 31057 1 515 . 1 . 1 41 41 CYS H H 1 8.0120 0.0000 . 1 . . . . A 41 CYS H . 31057 1 516 . 1 . 1 41 41 CYS HA H 1 4.1310 0.0000 . 1 . . . . A 41 CYS HA . 31057 1 517 . 1 . 1 41 41 CYS HB2 H 1 3.2160 0.0000 . 2 . . . . A 41 CYS HB2 . 31057 1 518 . 1 . 1 41 41 CYS HB3 H 1 3.2160 0.0000 . 2 . . . . A 41 CYS HB3 . 31057 1 519 . 1 . 1 41 41 CYS C C 13 173.8430 0.0000 . 1 . . . . A 41 CYS C . 31057 1 520 . 1 . 1 41 41 CYS CA C 13 60.4080 0.0000 . 1 . . . . A 41 CYS CA . 31057 1 521 . 1 . 1 41 41 CYS CB C 13 24.8140 0.0000 . 1 . . . . A 41 CYS CB . 31057 1 522 . 1 . 1 41 41 CYS N N 15 117.3460 0.0000 . 1 . . . . A 41 CYS N . 31057 1 523 . 1 . 1 42 42 LEU H H 1 8.2740 0.0000 . 1 . . . . A 42 LEU H . 31057 1 524 . 1 . 1 42 42 LEU HA H 1 4.9760 0.0000 . 1 . . . . A 42 LEU HA . 31057 1 525 . 1 . 1 42 42 LEU HB2 H 1 1.6540 0.0000 . 2 . . . . A 42 LEU HB2 . 31057 1 526 . 1 . 1 42 42 LEU HB3 H 1 1.3680 0.0000 . 2 . . . . A 42 LEU HB3 . 31057 1 527 . 1 . 1 42 42 LEU HG H 1 1.5870 0.0000 . 1 . . . . A 42 LEU HG . 31057 1 528 . 1 . 1 42 42 LEU HD11 H 1 0.7120 0.0000 . 2 . . . . A 42 LEU HD11 . 31057 1 529 . 1 . 1 42 42 LEU HD12 H 1 0.7120 0.0000 . 2 . . . . A 42 LEU HD12 . 31057 1 530 . 1 . 1 42 42 LEU HD13 H 1 0.7120 0.0000 . 2 . . . . A 42 LEU HD13 . 31057 1 531 . 1 . 1 42 42 LEU HD21 H 1 0.9490 0.0000 . 2 . . . . A 42 LEU HD21 . 31057 1 532 . 1 . 1 42 42 LEU HD22 H 1 0.9490 0.0000 . 2 . . . . A 42 LEU HD22 . 31057 1 533 . 1 . 1 42 42 LEU HD23 H 1 0.9490 0.0000 . 2 . . . . A 42 LEU HD23 . 31057 1 534 . 1 . 1 42 42 LEU C C 13 176.1970 0.0000 . 1 . . . . A 42 LEU C . 31057 1 535 . 1 . 1 42 42 LEU CA C 13 52.7920 0.0000 . 1 . . . . A 42 LEU CA . 31057 1 536 . 1 . 1 42 42 LEU CB C 13 47.5960 0.0000 . 1 . . . . A 42 LEU CB . 31057 1 537 . 1 . 1 42 42 LEU CG C 13 26.7480 0.0000 . 1 . . . . A 42 LEU CG . 31057 1 538 . 1 . 1 42 42 LEU CD1 C 13 26.9880 0.0000 . 2 . . . . A 42 LEU CD1 . 31057 1 539 . 1 . 1 42 42 LEU CD2 C 13 23.7520 0.0000 . 2 . . . . A 42 LEU CD2 . 31057 1 540 . 1 . 1 42 42 LEU N N 15 120.0060 0.0000 . 1 . . . . A 42 LEU N . 31057 1 541 . 1 . 1 43 43 THR H H 1 8.7660 0.0000 . 1 . . . . A 43 THR H . 31057 1 542 . 1 . 1 43 43 THR HA H 1 4.6600 0.0000 . 1 . . . . A 43 THR HA . 31057 1 543 . 1 . 1 43 43 THR HB H 1 4.8050 0.0000 . 1 . . . . A 43 THR HB . 31057 1 544 . 1 . 1 43 43 THR HG21 H 1 1.3600 0.0000 . 1 . . . . A 43 THR HG21 . 31057 1 545 . 1 . 1 43 43 THR HG22 H 1 1.3600 0.0000 . 1 . . . . A 43 THR HG22 . 31057 1 546 . 1 . 1 43 43 THR HG23 H 1 1.3600 0.0000 . 1 . . . . A 43 THR HG23 . 31057 1 547 . 1 . 1 43 43 THR C C 13 176.3140 0.0000 . 1 . . . . A 43 THR C . 31057 1 548 . 1 . 1 43 43 THR CA C 13 60.4480 0.0000 . 1 . . . . A 43 THR CA . 31057 1 549 . 1 . 1 43 43 THR CB C 13 71.2110 0.0000 . 1 . . . . A 43 THR CB . 31057 1 550 . 1 . 1 43 43 THR CG2 C 13 21.9630 0.0000 . 1 . . . . A 43 THR CG2 . 31057 1 551 . 1 . 1 43 43 THR N N 15 109.3300 0.0000 . 1 . . . . A 43 THR N . 31057 1 552 . 1 . 1 44 44 GLU H H 1 9.1420 0.0000 . 1 . . . . A 44 GLU H . 31057 1 553 . 1 . 1 44 44 GLU HA H 1 3.7240 0.0000 . 1 . . . . A 44 GLU HA . 31057 1 554 . 1 . 1 44 44 GLU HB2 H 1 2.0410 0.0000 . 2 . . . . A 44 GLU HB2 . 31057 1 555 . 1 . 1 44 44 GLU HB3 H 1 2.0410 0.0000 . 2 . . . . A 44 GLU HB3 . 31057 1 556 . 1 . 1 44 44 GLU HG2 H 1 2.3610 0.0000 . 2 . . . . A 44 GLU HG2 . 31057 1 557 . 1 . 1 44 44 GLU HG3 H 1 2.0710 0.0000 . 2 . . . . A 44 GLU HG3 . 31057 1 558 . 1 . 1 44 44 GLU C C 13 178.5750 0.0000 . 1 . . . . A 44 GLU C . 31057 1 559 . 1 . 1 44 44 GLU CA C 13 61.2100 0.0000 . 1 . . . . A 44 GLU CA . 31057 1 560 . 1 . 1 44 44 GLU CB C 13 30.0090 0.0000 . 1 . . . . A 44 GLU CB . 31057 1 561 . 1 . 1 44 44 GLU CG C 13 37.9890 0.0000 . 1 . . . . A 44 GLU CG . 31057 1 562 . 1 . 1 44 44 GLU N N 15 120.6030 0.0000 . 1 . . . . A 44 GLU N . 31057 1 563 . 1 . 1 45 45 ARG H H 1 8.3430 0.0000 . 1 . . . . A 45 ARG H . 31057 1 564 . 1 . 1 45 45 ARG HA H 1 4.0580 0.0000 . 1 . . . . A 45 ARG HA . 31057 1 565 . 1 . 1 45 45 ARG HB2 H 1 1.8260 0.0000 . 2 . . . . A 45 ARG HB2 . 31057 1 566 . 1 . 1 45 45 ARG HB3 H 1 1.9790 0.0000 . 2 . . . . A 45 ARG HB3 . 31057 1 567 . 1 . 1 45 45 ARG HG2 H 1 1.7350 0.0000 . 2 . . . . A 45 ARG HG2 . 31057 1 568 . 1 . 1 45 45 ARG HG3 H 1 1.7350 0.0000 . 2 . . . . A 45 ARG HG3 . 31057 1 569 . 1 . 1 45 45 ARG HD2 H 1 3.2900 0.0000 . 2 . . . . A 45 ARG HD2 . 31057 1 570 . 1 . 1 45 45 ARG HD3 H 1 3.2900 0.0000 . 2 . . . . A 45 ARG HD3 . 31057 1 571 . 1 . 1 45 45 ARG C C 13 178.0280 0.0000 . 1 . . . . A 45 ARG C . 31057 1 572 . 1 . 1 45 45 ARG CA C 13 59.5780 0.0000 . 1 . . . . A 45 ARG CA . 31057 1 573 . 1 . 1 45 45 ARG CB C 13 30.0600 0.0000 . 1 . . . . A 45 ARG CB . 31057 1 574 . 1 . 1 45 45 ARG CG C 13 27.5240 0.0000 . 1 . . . . A 45 ARG CG . 31057 1 575 . 1 . 1 45 45 ARG CD C 13 43.3940 0.0000 . 1 . . . . A 45 ARG CD . 31057 1 576 . 1 . 1 45 45 ARG N N 15 118.6790 0.0000 . 1 . . . . A 45 ARG N . 31057 1 577 . 1 . 1 46 46 GLN H H 1 7.9950 0.0000 . 1 . . . . A 46 GLN H . 31057 1 578 . 1 . 1 46 46 GLN HA H 1 4.0910 0.0000 . 1 . . . . A 46 GLN HA . 31057 1 579 . 1 . 1 46 46 GLN HB2 H 1 2.0860 0.0000 . 2 . . . . A 46 GLN HB2 . 31057 1 580 . 1 . 1 46 46 GLN HB3 H 1 2.0860 0.0000 . 2 . . . . A 46 GLN HB3 . 31057 1 581 . 1 . 1 46 46 GLN HG2 H 1 2.6210 0.0000 . 2 . . . . A 46 GLN HG2 . 31057 1 582 . 1 . 1 46 46 GLN HG3 H 1 2.5020 0.0000 . 2 . . . . A 46 GLN HG3 . 31057 1 583 . 1 . 1 46 46 GLN HE21 H 1 7.4300 0.0000 . 2 . . . . A 46 GLN HE21 . 31057 1 584 . 1 . 1 46 46 GLN HE22 H 1 6.8880 0.0000 . 2 . . . . A 46 GLN HE22 . 31057 1 585 . 1 . 1 46 46 GLN C C 13 180.2810 0.0000 . 1 . . . . A 46 GLN C . 31057 1 586 . 1 . 1 46 46 GLN CA C 13 59.4640 0.0000 . 1 . . . . A 46 GLN CA . 31057 1 587 . 1 . 1 46 46 GLN CB C 13 29.5700 0.0000 . 1 . . . . A 46 GLN CB . 31057 1 588 . 1 . 1 46 46 GLN CG C 13 35.6430 0.0000 . 1 . . . . A 46 GLN CG . 31057 1 589 . 1 . 1 46 46 GLN CD C 13 179.3800 0.0000 . 1 . . . . A 46 GLN CD . 31057 1 590 . 1 . 1 46 46 GLN N N 15 117.3280 0.0000 . 1 . . . . A 46 GLN N . 31057 1 591 . 1 . 1 46 46 GLN NE2 N 15 112.0640 0.0000 . 1 . . . . A 46 GLN NE2 . 31057 1 592 . 1 . 1 47 47 ILE H H 1 8.0250 0.0000 . 1 . . . . A 47 ILE H . 31057 1 593 . 1 . 1 47 47 ILE HA H 1 3.9530 0.0000 . 1 . . . . A 47 ILE HA . 31057 1 594 . 1 . 1 47 47 ILE HB H 1 2.1800 0.0000 . 1 . . . . A 47 ILE HB . 31057 1 595 . 1 . 1 47 47 ILE HG12 H 1 1.5740 0.0000 . 2 . . . . A 47 ILE HG12 . 31057 1 596 . 1 . 1 47 47 ILE HG13 H 1 1.5740 0.0000 . 2 . . . . A 47 ILE HG13 . 31057 1 597 . 1 . 1 47 47 ILE HG21 H 1 1.0060 0.0000 . 1 . . . . A 47 ILE HG21 . 31057 1 598 . 1 . 1 47 47 ILE HG22 H 1 1.0060 0.0000 . 1 . . . . A 47 ILE HG22 . 31057 1 599 . 1 . 1 47 47 ILE HG23 H 1 1.0060 0.0000 . 1 . . . . A 47 ILE HG23 . 31057 1 600 . 1 . 1 47 47 ILE HD11 H 1 0.7760 0.0000 . 1 . . . . A 47 ILE HD11 . 31057 1 601 . 1 . 1 47 47 ILE HD12 H 1 0.7760 0.0000 . 1 . . . . A 47 ILE HD12 . 31057 1 602 . 1 . 1 47 47 ILE HD13 H 1 0.7760 0.0000 . 1 . . . . A 47 ILE HD13 . 31057 1 603 . 1 . 1 47 47 ILE C C 13 177.1810 0.0000 . 1 . . . . A 47 ILE C . 31057 1 604 . 1 . 1 47 47 ILE CA C 13 64.1340 0.0000 . 1 . . . . A 47 ILE CA . 31057 1 605 . 1 . 1 47 47 ILE CB C 13 36.6650 0.0000 . 1 . . . . A 47 ILE CB . 31057 1 606 . 1 . 1 47 47 ILE CG1 C 13 28.2900 0.0000 . 1 . . . . A 47 ILE CG1 . 31057 1 607 . 1 . 1 47 47 ILE CG2 C 13 19.1680 0.0000 . 1 . . . . A 47 ILE CG2 . 31057 1 608 . 1 . 1 47 47 ILE CD1 C 13 13.1370 0.0000 . 1 . . . . A 47 ILE CD1 . 31057 1 609 . 1 . 1 47 47 ILE N N 15 120.6370 0.0000 . 1 . . . . A 47 ILE N . 31057 1 610 . 1 . 1 48 48 LYS H H 1 8.5610 0.0000 . 1 . . . . A 48 LYS H . 31057 1 611 . 1 . 1 48 48 LYS HA H 1 4.4120 0.0000 . 1 . . . . A 48 LYS HA . 31057 1 612 . 1 . 1 48 48 LYS HB2 H 1 2.1740 0.0000 . 2 . . . . A 48 LYS HB2 . 31057 1 613 . 1 . 1 48 48 LYS HB3 H 1 1.9770 0.0000 . 2 . . . . A 48 LYS HB3 . 31057 1 614 . 1 . 1 48 48 LYS HG2 H 1 1.4980 0.0000 . 2 . . . . A 48 LYS HG2 . 31057 1 615 . 1 . 1 48 48 LYS HG3 H 1 1.4980 0.0000 . 2 . . . . A 48 LYS HG3 . 31057 1 616 . 1 . 1 48 48 LYS HD2 H 1 1.7260 0.0000 . 2 . . . . A 48 LYS HD2 . 31057 1 617 . 1 . 1 48 48 LYS HD3 H 1 1.7260 0.0000 . 2 . . . . A 48 LYS HD3 . 31057 1 618 . 1 . 1 48 48 LYS HE2 H 1 3.0110 0.0000 . 2 . . . . A 48 LYS HE2 . 31057 1 619 . 1 . 1 48 48 LYS HE3 H 1 3.0110 0.0000 . 2 . . . . A 48 LYS HE3 . 31057 1 620 . 1 . 1 48 48 LYS C C 13 180.3490 0.0000 . 1 . . . . A 48 LYS C . 31057 1 621 . 1 . 1 48 48 LYS CA C 13 60.2240 0.0000 . 1 . . . . A 48 LYS CA . 31057 1 622 . 1 . 1 48 48 LYS CB C 13 33.3310 0.0000 . 1 . . . . A 48 LYS CB . 31057 1 623 . 1 . 1 48 48 LYS CG C 13 25.3120 0.0000 . 1 . . . . A 48 LYS CG . 31057 1 624 . 1 . 1 48 48 LYS CD C 13 29.9690 0.0000 . 1 . . . . A 48 LYS CD . 31057 1 625 . 1 . 1 48 48 LYS CE C 13 42.1470 0.0000 . 1 . . . . A 48 LYS CE . 31057 1 626 . 1 . 1 48 48 LYS N N 15 121.6540 0.0000 . 1 . . . . A 48 LYS N . 31057 1 627 . 1 . 1 49 49 ILE H H 1 8.5940 0.0000 . 1 . . . . A 49 ILE H . 31057 1 628 . 1 . 1 49 49 ILE HA H 1 3.8740 0.0000 . 1 . . . . A 49 ILE HA . 31057 1 629 . 1 . 1 49 49 ILE HB H 1 1.9850 0.0000 . 1 . . . . A 49 ILE HB . 31057 1 630 . 1 . 1 49 49 ILE HG12 H 1 1.7790 0.0000 . 2 . . . . A 49 ILE HG12 . 31057 1 631 . 1 . 1 49 49 ILE HG13 H 1 1.3550 0.0000 . 2 . . . . A 49 ILE HG13 . 31057 1 632 . 1 . 1 49 49 ILE HG21 H 1 1.0460 0.0000 . 1 . . . . A 49 ILE HG21 . 31057 1 633 . 1 . 1 49 49 ILE HG22 H 1 1.0460 0.0000 . 1 . . . . A 49 ILE HG22 . 31057 1 634 . 1 . 1 49 49 ILE HG23 H 1 1.0460 0.0000 . 1 . . . . A 49 ILE HG23 . 31057 1 635 . 1 . 1 49 49 ILE HD11 H 1 0.9050 0.0000 . 1 . . . . A 49 ILE HD11 . 31057 1 636 . 1 . 1 49 49 ILE HD12 H 1 0.9050 0.0000 . 1 . . . . A 49 ILE HD12 . 31057 1 637 . 1 . 1 49 49 ILE HD13 H 1 0.9050 0.0000 . 1 . . . . A 49 ILE HD13 . 31057 1 638 . 1 . 1 49 49 ILE C C 13 177.5330 0.0000 . 1 . . . . A 49 ILE C . 31057 1 639 . 1 . 1 49 49 ILE CA C 13 64.4180 0.0000 . 1 . . . . A 49 ILE CA . 31057 1 640 . 1 . 1 49 49 ILE CB C 13 38.3200 0.0000 . 1 . . . . A 49 ILE CB . 31057 1 641 . 1 . 1 49 49 ILE CG1 C 13 29.1540 0.0000 . 1 . . . . A 49 ILE CG1 . 31057 1 642 . 1 . 1 49 49 ILE CG2 C 13 17.3950 0.0000 . 1 . . . . A 49 ILE CG2 . 31057 1 643 . 1 . 1 49 49 ILE CD1 C 13 13.0110 0.0000 . 1 . . . . A 49 ILE CD1 . 31057 1 644 . 1 . 1 49 49 ILE N N 15 119.5990 0.0000 . 1 . . . . A 49 ILE N . 31057 1 645 . 1 . 1 50 50 TRP H H 1 8.1610 0.0000 . 1 . . . . A 50 TRP H . 31057 1 646 . 1 . 1 50 50 TRP HA H 1 3.9210 0.0000 . 1 . . . . A 50 TRP HA . 31057 1 647 . 1 . 1 50 50 TRP HB2 H 1 3.5120 0.0000 . 2 . . . . A 50 TRP HB2 . 31057 1 648 . 1 . 1 50 50 TRP HB3 H 1 3.3170 0.0000 . 2 . . . . A 50 TRP HB3 . 31057 1 649 . 1 . 1 50 50 TRP HD1 H 1 6.0950 0.0000 . 1 . . . . A 50 TRP HD1 . 31057 1 650 . 1 . 1 50 50 TRP HE1 H 1 9.9160 0.0000 . 1 . . . . A 50 TRP HE1 . 31057 1 651 . 1 . 1 50 50 TRP HE3 H 1 6.8160 0.0000 . 1 . . . . A 50 TRP HE3 . 31057 1 652 . 1 . 1 50 50 TRP HZ2 H 1 7.1990 0.0000 . 1 . . . . A 50 TRP HZ2 . 31057 1 653 . 1 . 1 50 50 TRP HZ3 H 1 5.7000 0.0000 . 1 . . . . A 50 TRP HZ3 . 31057 1 654 . 1 . 1 50 50 TRP HH2 H 1 6.4470 0.0000 . 1 . . . . A 50 TRP HH2 . 31057 1 655 . 1 . 1 50 50 TRP C C 13 180.2350 0.0000 . 1 . . . . A 50 TRP C . 31057 1 656 . 1 . 1 50 50 TRP CA C 13 63.4030 0.0000 . 1 . . . . A 50 TRP CA . 31057 1 657 . 1 . 1 50 50 TRP CB C 13 29.3770 0.0000 . 1 . . . . A 50 TRP CB . 31057 1 658 . 1 . 1 50 50 TRP CD1 C 13 127.0170 0.0000 . 1 . . . . A 50 TRP CD1 . 31057 1 659 . 1 . 1 50 50 TRP CE3 C 13 121.6520 0.0000 . 1 . . . . A 50 TRP CE3 . 31057 1 660 . 1 . 1 50 50 TRP CZ2 C 13 114.2760 0.0000 . 1 . . . . A 50 TRP CZ2 . 31057 1 661 . 1 . 1 50 50 TRP CZ3 C 13 120.7660 0.0000 . 1 . . . . A 50 TRP CZ3 . 31057 1 662 . 1 . 1 50 50 TRP CH2 C 13 123.4940 0.0000 . 1 . . . . A 50 TRP CH2 . 31057 1 663 . 1 . 1 50 50 TRP N N 15 122.3320 0.0000 . 1 . . . . A 50 TRP N . 31057 1 664 . 1 . 1 50 50 TRP NE1 N 15 128.7880 0.0000 . 1 . . . . A 50 TRP NE1 . 31057 1 665 . 1 . 1 51 51 PHE H H 1 9.0080 0.0000 . 1 . . . . A 51 PHE H . 31057 1 666 . 1 . 1 51 51 PHE HA H 1 3.8250 0.0000 . 1 . . . . A 51 PHE HA . 31057 1 667 . 1 . 1 51 51 PHE HB2 H 1 3.5860 0.0000 . 2 . . . . A 51 PHE HB2 . 31057 1 668 . 1 . 1 51 51 PHE HB3 H 1 3.3300 0.0000 . 2 . . . . A 51 PHE HB3 . 31057 1 669 . 1 . 1 51 51 PHE HD1 H 1 7.8060 0.0000 . 3 . . . . A 51 PHE HD1 . 31057 1 670 . 1 . 1 51 51 PHE HD2 H 1 7.8060 0.0000 . 3 . . . . A 51 PHE HD2 . 31057 1 671 . 1 . 1 51 51 PHE HE1 H 1 7.6160 0.0000 . 3 . . . . A 51 PHE HE1 . 31057 1 672 . 1 . 1 51 51 PHE HE2 H 1 7.6160 0.0000 . 3 . . . . A 51 PHE HE2 . 31057 1 673 . 1 . 1 51 51 PHE HZ H 1 7.2530 0.0000 . 1 . . . . A 51 PHE HZ . 31057 1 674 . 1 . 1 51 51 PHE C C 13 177.7240 0.0000 . 1 . . . . A 51 PHE C . 31057 1 675 . 1 . 1 51 51 PHE CA C 13 63.5570 0.0000 . 1 . . . . A 51 PHE CA . 31057 1 676 . 1 . 1 51 51 PHE CB C 13 39.7280 0.0000 . 1 . . . . A 51 PHE CB . 31057 1 677 . 1 . 1 51 51 PHE CD1 C 13 131.7310 0.0000 . 3 . . . . A 51 PHE CD1 . 31057 1 678 . 1 . 1 51 51 PHE CD2 C 13 131.7310 0.0000 . 3 . . . . A 51 PHE CD2 . 31057 1 679 . 1 . 1 51 51 PHE CE1 C 13 132.3140 0.0000 . 3 . . . . A 51 PHE CE1 . 31057 1 680 . 1 . 1 51 51 PHE CE2 C 13 132.3140 0.0000 . 3 . . . . A 51 PHE CE2 . 31057 1 681 . 1 . 1 51 51 PHE CZ C 13 129.4100 0.0000 . 1 . . . . A 51 PHE CZ . 31057 1 682 . 1 . 1 51 51 PHE N N 15 119.1010 0.0000 . 1 . . . . A 51 PHE N . 31057 1 683 . 1 . 1 52 52 GLN H H 1 8.2210 0.0000 . 1 . . . . A 52 GLN H . 31057 1 684 . 1 . 1 52 52 GLN HA H 1 4.0130 0.0000 . 1 . . . . A 52 GLN HA . 31057 1 685 . 1 . 1 52 52 GLN HB2 H 1 2.2860 0.0000 . 2 . . . . A 52 GLN HB2 . 31057 1 686 . 1 . 1 52 52 GLN HB3 H 1 2.1950 0.0000 . 2 . . . . A 52 GLN HB3 . 31057 1 687 . 1 . 1 52 52 GLN HG2 H 1 2.5160 0.0000 . 2 . . . . A 52 GLN HG2 . 31057 1 688 . 1 . 1 52 52 GLN HG3 H 1 2.5160 0.0000 . 2 . . . . A 52 GLN HG3 . 31057 1 689 . 1 . 1 52 52 GLN HE21 H 1 7.5490 0.0000 . 2 . . . . A 52 GLN HE21 . 31057 1 690 . 1 . 1 52 52 GLN HE22 H 1 6.9270 0.0000 . 2 . . . . A 52 GLN HE22 . 31057 1 691 . 1 . 1 52 52 GLN C C 13 178.9360 0.0000 . 1 . . . . A 52 GLN C . 31057 1 692 . 1 . 1 52 52 GLN CA C 13 59.5140 0.0000 . 1 . . . . A 52 GLN CA . 31057 1 693 . 1 . 1 52 52 GLN CB C 13 28.4580 0.0000 . 1 . . . . A 52 GLN CB . 31057 1 694 . 1 . 1 52 52 GLN CG C 13 33.7860 0.0000 . 1 . . . . A 52 GLN CG . 31057 1 695 . 1 . 1 52 52 GLN CD C 13 180.0040 0.0000 . 1 . . . . A 52 GLN CD . 31057 1 696 . 1 . 1 52 52 GLN N N 15 119.0000 0.0000 . 1 . . . . A 52 GLN N . 31057 1 697 . 1 . 1 52 52 GLN NE2 N 15 111.2120 0.0000 . 1 . . . . A 52 GLN NE2 . 31057 1 698 . 1 . 1 53 53 ASN H H 1 8.3180 0.0000 . 1 . . . . A 53 ASN H . 31057 1 699 . 1 . 1 53 53 ASN HA H 1 4.3280 0.0000 . 1 . . . . A 53 ASN HA . 31057 1 700 . 1 . 1 53 53 ASN HB2 H 1 2.6420 0.0000 . 2 . . . . A 53 ASN HB2 . 31057 1 701 . 1 . 1 53 53 ASN HB3 H 1 2.4490 0.0000 . 2 . . . . A 53 ASN HB3 . 31057 1 702 . 1 . 1 53 53 ASN HD21 H 1 7.4230 0.0000 . 2 . . . . A 53 ASN HD21 . 31057 1 703 . 1 . 1 53 53 ASN HD22 H 1 6.8810 0.0000 . 2 . . . . A 53 ASN HD22 . 31057 1 704 . 1 . 1 53 53 ASN C C 13 177.6910 0.0000 . 1 . . . . A 53 ASN C . 31057 1 705 . 1 . 1 53 53 ASN CA C 13 55.6190 0.0000 . 1 . . . . A 53 ASN CA . 31057 1 706 . 1 . 1 53 53 ASN CB C 13 37.7990 0.0000 . 1 . . . . A 53 ASN CB . 31057 1 707 . 1 . 1 53 53 ASN CG C 13 175.7450 0.0000 . 1 . . . . A 53 ASN CG . 31057 1 708 . 1 . 1 53 53 ASN N N 15 118.0070 0.0000 . 1 . . . . A 53 ASN N . 31057 1 709 . 1 . 1 53 53 ASN ND2 N 15 112.3050 0.0000 . 1 . . . . A 53 ASN ND2 . 31057 1 710 . 1 . 1 54 54 ARG H H 1 8.1590 0.0000 . 1 . . . . A 54 ARG H . 31057 1 711 . 1 . 1 54 54 ARG HA H 1 3.3980 0.0000 . 1 . . . . A 54 ARG HA . 31057 1 712 . 1 . 1 54 54 ARG HB2 H 1 0.6930 0.0000 . 2 . . . . A 54 ARG HB2 . 31057 1 713 . 1 . 1 54 54 ARG HB3 H 1 -0.3060 0.0000 . 2 . . . . A 54 ARG HB3 . 31057 1 714 . 1 . 1 54 54 ARG HG2 H 1 -0.3000 0.0000 . 2 . . . . A 54 ARG HG2 . 31057 1 715 . 1 . 1 54 54 ARG HG3 H 1 -0.5920 0.0000 . 2 . . . . A 54 ARG HG3 . 31057 1 716 . 1 . 1 54 54 ARG HD2 H 1 2.3550 0.0000 . 2 . . . . A 54 ARG HD2 . 31057 1 717 . 1 . 1 54 54 ARG HD3 H 1 1.9210 0.0000 . 2 . . . . A 54 ARG HD3 . 31057 1 718 . 1 . 1 54 54 ARG C C 13 179.5290 0.0000 . 1 . . . . A 54 ARG C . 31057 1 719 . 1 . 1 54 54 ARG CA C 13 56.4010 0.0000 . 1 . . . . A 54 ARG CA . 31057 1 720 . 1 . 1 54 54 ARG CB C 13 28.3530 0.0000 . 1 . . . . A 54 ARG CB . 31057 1 721 . 1 . 1 54 54 ARG CG C 13 23.5410 0.0000 . 1 . . . . A 54 ARG CG . 31057 1 722 . 1 . 1 54 54 ARG CD C 13 40.6040 0.0000 . 1 . . . . A 54 ARG CD . 31057 1 723 . 1 . 1 54 54 ARG N N 15 123.0160 0.0000 . 1 . . . . A 54 ARG N . 31057 1 724 . 1 . 1 55 55 ARG H H 1 7.9640 0.0000 . 1 . . . . A 55 ARG H . 31057 1 725 . 1 . 1 55 55 ARG HA H 1 3.9450 0.0000 . 1 . . . . A 55 ARG HA . 31057 1 726 . 1 . 1 55 55 ARG HB2 H 1 2.3260 0.0000 . 2 . . . . A 55 ARG HB2 . 31057 1 727 . 1 . 1 55 55 ARG HB3 H 1 1.3670 0.0000 . 2 . . . . A 55 ARG HB3 . 31057 1 728 . 1 . 1 55 55 ARG HG2 H 1 2.1430 0.0000 . 2 . . . . A 55 ARG HG2 . 31057 1 729 . 1 . 1 55 55 ARG HG3 H 1 1.8270 0.0000 . 2 . . . . A 55 ARG HG3 . 31057 1 730 . 1 . 1 55 55 ARG HD2 H 1 2.9110 0.0000 . 2 . . . . A 55 ARG HD2 . 31057 1 731 . 1 . 1 55 55 ARG HD3 H 1 2.6050 0.0000 . 2 . . . . A 55 ARG HD3 . 31057 1 732 . 1 . 1 55 55 ARG C C 13 178.9290 0.0000 . 1 . . . . A 55 ARG C . 31057 1 733 . 1 . 1 55 55 ARG CA C 13 60.1290 0.0000 . 1 . . . . A 55 ARG CA . 31057 1 734 . 1 . 1 55 55 ARG CB C 13 31.6340 0.0000 . 1 . . . . A 55 ARG CB . 31057 1 735 . 1 . 1 55 55 ARG CG C 13 31.0720 0.0000 . 1 . . . . A 55 ARG CG . 31057 1 736 . 1 . 1 55 55 ARG CD C 13 43.4000 0.0000 . 1 . . . . A 55 ARG CD . 31057 1 737 . 1 . 1 55 55 ARG N N 15 117.6660 0.0000 . 1 . . . . A 55 ARG N . 31057 1 738 . 1 . 1 56 56 MET H H 1 7.4880 0.0000 . 1 . . . . A 56 MET H . 31057 1 739 . 1 . 1 56 56 MET HA H 1 4.2850 0.0000 . 1 . . . . A 56 MET HA . 31057 1 740 . 1 . 1 56 56 MET HB2 H 1 2.1720 0.0000 . 2 . . . . A 56 MET HB2 . 31057 1 741 . 1 . 1 56 56 MET HB3 H 1 2.1720 0.0000 . 2 . . . . A 56 MET HB3 . 31057 1 742 . 1 . 1 56 56 MET HG2 H 1 2.8280 0.0000 . 2 . . . . A 56 MET HG2 . 31057 1 743 . 1 . 1 56 56 MET HG3 H 1 2.6820 0.0000 . 2 . . . . A 56 MET HG3 . 31057 1 744 . 1 . 1 56 56 MET HE1 H 1 2.1140 0.0000 . 1 . . . . A 56 MET HE1 . 31057 1 745 . 1 . 1 56 56 MET HE2 H 1 2.1140 0.0000 . 1 . . . . A 56 MET HE2 . 31057 1 746 . 1 . 1 56 56 MET HE3 H 1 2.1140 0.0000 . 1 . . . . A 56 MET HE3 . 31057 1 747 . 1 . 1 56 56 MET C C 13 177.5380 0.0000 . 1 . . . . A 56 MET C . 31057 1 748 . 1 . 1 56 56 MET CA C 13 57.6610 0.0000 . 1 . . . . A 56 MET CA . 31057 1 749 . 1 . 1 56 56 MET CB C 13 32.2400 0.0000 . 1 . . . . A 56 MET CB . 31057 1 750 . 1 . 1 56 56 MET CG C 13 32.1280 0.0000 . 1 . . . . A 56 MET CG . 31057 1 751 . 1 . 1 56 56 MET CE C 13 16.9830 0.0000 . 1 . . . . A 56 MET CE . 31057 1 752 . 1 . 1 56 56 MET N N 15 118.0090 0.0000 . 1 . . . . A 56 MET N . 31057 1 753 . 1 . 1 57 57 LYS H H 1 7.3610 0.0000 . 1 . . . . A 57 LYS H . 31057 1 754 . 1 . 1 57 57 LYS HA H 1 4.1170 0.0000 . 1 . . . . A 57 LYS HA . 31057 1 755 . 1 . 1 57 57 LYS HB2 H 1 1.8220 0.0000 . 2 . . . . A 57 LYS HB2 . 31057 1 756 . 1 . 1 57 57 LYS HB3 H 1 1.6530 0.0000 . 2 . . . . A 57 LYS HB3 . 31057 1 757 . 1 . 1 57 57 LYS HG2 H 1 1.4000 0.0000 . 2 . . . . A 57 LYS HG2 . 31057 1 758 . 1 . 1 57 57 LYS HG3 H 1 1.3300 0.0000 . 2 . . . . A 57 LYS HG3 . 31057 1 759 . 1 . 1 57 57 LYS HD2 H 1 1.5020 0.0000 . 2 . . . . A 57 LYS HD2 . 31057 1 760 . 1 . 1 57 57 LYS HD3 H 1 1.5020 0.0000 . 2 . . . . A 57 LYS HD3 . 31057 1 761 . 1 . 1 57 57 LYS HE2 H 1 2.8520 0.0000 . 2 . . . . A 57 LYS HE2 . 31057 1 762 . 1 . 1 57 57 LYS HE3 H 1 2.8520 0.0000 . 2 . . . . A 57 LYS HE3 . 31057 1 763 . 1 . 1 57 57 LYS C C 13 177.2850 0.0000 . 1 . . . . A 57 LYS C . 31057 1 764 . 1 . 1 57 57 LYS CA C 13 57.2960 0.0000 . 1 . . . . A 57 LYS CA . 31057 1 765 . 1 . 1 57 57 LYS CB C 13 32.5030 0.0000 . 1 . . . . A 57 LYS CB . 31057 1 766 . 1 . 1 57 57 LYS CG C 13 24.8770 0.0000 . 1 . . . . A 57 LYS CG . 31057 1 767 . 1 . 1 57 57 LYS CD C 13 29.0860 0.0000 . 1 . . . . A 57 LYS CD . 31057 1 768 . 1 . 1 57 57 LYS CE C 13 42.0640 0.0000 . 1 . . . . A 57 LYS CE . 31057 1 769 . 1 . 1 57 57 LYS N N 15 118.3320 0.0000 . 1 . . . . A 57 LYS N . 31057 1 770 . 1 . 1 58 58 LEU H H 1 7.4900 0.0000 . 1 . . . . A 58 LEU H . 31057 1 771 . 1 . 1 58 58 LEU HA H 1 4.2790 0.0000 . 1 . . . . A 58 LEU HA . 31057 1 772 . 1 . 1 58 58 LEU HB2 H 1 1.7230 0.0000 . 2 . . . . A 58 LEU HB2 . 31057 1 773 . 1 . 1 58 58 LEU HB3 H 1 1.7230 0.0000 . 2 . . . . A 58 LEU HB3 . 31057 1 774 . 1 . 1 58 58 LEU HG H 1 1.7050 0.0000 . 1 . . . . A 58 LEU HG . 31057 1 775 . 1 . 1 58 58 LEU HD11 H 1 0.9530 0.0000 . 2 . . . . A 58 LEU HD11 . 31057 1 776 . 1 . 1 58 58 LEU HD12 H 1 0.9530 0.0000 . 2 . . . . A 58 LEU HD12 . 31057 1 777 . 1 . 1 58 58 LEU HD13 H 1 0.9530 0.0000 . 2 . . . . A 58 LEU HD13 . 31057 1 778 . 1 . 1 58 58 LEU HD21 H 1 0.8850 0.0000 . 2 . . . . A 58 LEU HD21 . 31057 1 779 . 1 . 1 58 58 LEU HD22 H 1 0.8850 0.0000 . 2 . . . . A 58 LEU HD22 . 31057 1 780 . 1 . 1 58 58 LEU HD23 H 1 0.8850 0.0000 . 2 . . . . A 58 LEU HD23 . 31057 1 781 . 1 . 1 58 58 LEU C C 13 177.5310 0.0000 . 1 . . . . A 58 LEU C . 31057 1 782 . 1 . 1 58 58 LEU CA C 13 56.1730 0.0000 . 1 . . . . A 58 LEU CA . 31057 1 783 . 1 . 1 58 58 LEU CB C 13 42.2750 0.0000 . 1 . . . . A 58 LEU CB . 31057 1 784 . 1 . 1 58 58 LEU CG C 13 27.1220 0.0000 . 1 . . . . A 58 LEU CG . 31057 1 785 . 1 . 1 58 58 LEU CD1 C 13 25.0250 0.0000 . 2 . . . . A 58 LEU CD1 . 31057 1 786 . 1 . 1 58 58 LEU CD2 C 13 24.1320 0.0000 . 2 . . . . A 58 LEU CD2 . 31057 1 787 . 1 . 1 58 58 LEU N N 15 119.6930 0.0000 . 1 . . . . A 58 LEU N . 31057 1 788 . 1 . 1 59 59 LYS H H 1 7.8860 0.0000 . 1 . . . . A 59 LYS H . 31057 1 789 . 1 . 1 59 59 LYS HA H 1 4.2570 0.0000 . 1 . . . . A 59 LYS HA . 31057 1 790 . 1 . 1 59 59 LYS HB2 H 1 1.9030 0.0000 . 2 . . . . A 59 LYS HB2 . 31057 1 791 . 1 . 1 59 59 LYS HB3 H 1 1.9030 0.0000 . 2 . . . . A 59 LYS HB3 . 31057 1 792 . 1 . 1 59 59 LYS HG2 H 1 1.5010 0.0000 . 2 . . . . A 59 LYS HG2 . 31057 1 793 . 1 . 1 59 59 LYS HG3 H 1 1.5010 0.0000 . 2 . . . . A 59 LYS HG3 . 31057 1 794 . 1 . 1 59 59 LYS HD2 H 1 1.7470 0.0000 . 2 . . . . A 59 LYS HD2 . 31057 1 795 . 1 . 1 59 59 LYS HD3 H 1 1.7470 0.0000 . 2 . . . . A 59 LYS HD3 . 31057 1 796 . 1 . 1 59 59 LYS HE2 H 1 3.0570 0.0000 . 2 . . . . A 59 LYS HE2 . 31057 1 797 . 1 . 1 59 59 LYS HE3 H 1 3.0570 0.0000 . 2 . . . . A 59 LYS HE3 . 31057 1 798 . 1 . 1 59 59 LYS C C 13 176.6280 0.0000 . 1 . . . . A 59 LYS C . 31057 1 799 . 1 . 1 59 59 LYS CA C 13 56.9890 0.0000 . 1 . . . . A 59 LYS CA . 31057 1 800 . 1 . 1 59 59 LYS CB C 13 32.9690 0.0000 . 1 . . . . A 59 LYS CB . 31057 1 801 . 1 . 1 59 59 LYS CG C 13 24.8240 0.0000 . 1 . . . . A 59 LYS CG . 31057 1 802 . 1 . 1 59 59 LYS CD C 13 29.1650 0.0000 . 1 . . . . A 59 LYS CD . 31057 1 803 . 1 . 1 59 59 LYS CE C 13 42.2570 0.0000 . 1 . . . . A 59 LYS CE . 31057 1 804 . 1 . 1 59 59 LYS N N 15 119.7170 0.0000 . 1 . . . . A 59 LYS N . 31057 1 805 . 1 . 1 60 60 LYS H H 1 8.0910 0.0000 . 1 . . . . A 60 LYS H . 31057 1 806 . 1 . 1 60 60 LYS HA H 1 4.3330 0.0000 . 1 . . . . A 60 LYS HA . 31057 1 807 . 1 . 1 60 60 LYS HB2 H 1 1.9020 0.0000 . 2 . . . . A 60 LYS HB2 . 31057 1 808 . 1 . 1 60 60 LYS HB3 H 1 1.9020 0.0000 . 2 . . . . A 60 LYS HB3 . 31057 1 809 . 1 . 1 60 60 LYS HG2 H 1 1.4860 0.0000 . 2 . . . . A 60 LYS HG2 . 31057 1 810 . 1 . 1 60 60 LYS HG3 H 1 1.4860 0.0000 . 2 . . . . A 60 LYS HG3 . 31057 1 811 . 1 . 1 60 60 LYS HD2 H 1 1.7220 0.0000 . 2 . . . . A 60 LYS HD2 . 31057 1 812 . 1 . 1 60 60 LYS HD3 H 1 1.7220 0.0000 . 2 . . . . A 60 LYS HD3 . 31057 1 813 . 1 . 1 60 60 LYS HE2 H 1 3.0360 0.0000 . 2 . . . . A 60 LYS HE2 . 31057 1 814 . 1 . 1 60 60 LYS HE3 H 1 3.0360 0.0000 . 2 . . . . A 60 LYS HE3 . 31057 1 815 . 1 . 1 60 60 LYS C C 13 176.4110 0.0000 . 1 . . . . A 60 LYS C . 31057 1 816 . 1 . 1 60 60 LYS CA C 13 56.5770 0.0000 . 1 . . . . A 60 LYS CA . 31057 1 817 . 1 . 1 60 60 LYS CB C 13 33.0850 0.0000 . 1 . . . . A 60 LYS CB . 31057 1 818 . 1 . 1 60 60 LYS CG C 13 24.8130 0.0000 . 1 . . . . A 60 LYS CG . 31057 1 819 . 1 . 1 60 60 LYS CD C 13 29.0650 0.0000 . 1 . . . . A 60 LYS CD . 31057 1 820 . 1 . 1 60 60 LYS CE C 13 42.1100 0.0000 . 1 . . . . A 60 LYS CE . 31057 1 821 . 1 . 1 60 60 LYS N N 15 121.0050 0.0000 . 1 . . . . A 60 LYS N . 31057 1 822 . 1 . 1 61 61 GLU H H 1 8.2450 0.0000 . 1 . . . . A 61 GLU H . 31057 1 823 . 1 . 1 61 61 GLU HA H 1 4.3490 0.0000 . 1 . . . . A 61 GLU HA . 31057 1 824 . 1 . 1 61 61 GLU HB2 H 1 2.1090 0.0000 . 2 . . . . A 61 GLU HB2 . 31057 1 825 . 1 . 1 61 61 GLU HB3 H 1 2.0170 0.0000 . 2 . . . . A 61 GLU HB3 . 31057 1 826 . 1 . 1 61 61 GLU HG2 H 1 2.3520 0.0000 . 2 . . . . A 61 GLU HG2 . 31057 1 827 . 1 . 1 61 61 GLU HG3 H 1 2.3610 0.0000 . 2 . . . . A 61 GLU HG3 . 31057 1 828 . 1 . 1 61 61 GLU C C 13 175.3960 0.0000 . 1 . . . . A 61 GLU C . 31057 1 829 . 1 . 1 61 61 GLU CA C 13 56.6490 0.0000 . 1 . . . . A 61 GLU CA . 31057 1 830 . 1 . 1 61 61 GLU CB C 13 30.4110 0.0000 . 1 . . . . A 61 GLU CB . 31057 1 831 . 1 . 1 61 61 GLU CG C 13 36.3990 0.0000 . 1 . . . . A 61 GLU CG . 31057 1 832 . 1 . 1 61 61 GLU N N 15 122.0060 0.0000 . 1 . . . . A 61 GLU N . 31057 1 833 . 1 . 1 62 62 LEU H H 1 7.7920 0.0000 . 1 . . . . A 62 LEU H . 31057 1 834 . 1 . 1 62 62 LEU HA H 1 4.1980 0.0000 . 1 . . . . A 62 LEU HA . 31057 1 835 . 1 . 1 62 62 LEU HB2 H 1 1.6200 0.0000 . 2 . . . . A 62 LEU HB2 . 31057 1 836 . 1 . 1 62 62 LEU HB3 H 1 1.6200 0.0000 . 2 . . . . A 62 LEU HB3 . 31057 1 837 . 1 . 1 62 62 LEU HG H 1 1.6570 0.0000 . 1 . . . . A 62 LEU HG . 31057 1 838 . 1 . 1 62 62 LEU HD11 H 1 0.9260 0.0000 . 2 . . . . A 62 LEU HD11 . 31057 1 839 . 1 . 1 62 62 LEU HD12 H 1 0.9260 0.0000 . 2 . . . . A 62 LEU HD12 . 31057 1 840 . 1 . 1 62 62 LEU HD13 H 1 0.9260 0.0000 . 2 . . . . A 62 LEU HD13 . 31057 1 841 . 1 . 1 62 62 LEU HD21 H 1 0.8890 0.0000 . 2 . . . . A 62 LEU HD21 . 31057 1 842 . 1 . 1 62 62 LEU HD22 H 1 0.8890 0.0000 . 2 . . . . A 62 LEU HD22 . 31057 1 843 . 1 . 1 62 62 LEU HD23 H 1 0.8890 0.0000 . 2 . . . . A 62 LEU HD23 . 31057 1 844 . 1 . 1 62 62 LEU C C 13 182.3600 0.0000 . 1 . . . . A 62 LEU C . 31057 1 845 . 1 . 1 62 62 LEU CA C 13 56.8270 0.0000 . 1 . . . . A 62 LEU CA . 31057 1 846 . 1 . 1 62 62 LEU CB C 13 43.5620 0.0000 . 1 . . . . A 62 LEU CB . 31057 1 847 . 1 . 1 62 62 LEU CG C 13 27.7000 0.0000 . 1 . . . . A 62 LEU CG . 31057 1 848 . 1 . 1 62 62 LEU CD1 C 13 25.3330 0.0000 . 2 . . . . A 62 LEU CD1 . 31057 1 849 . 1 . 1 62 62 LEU CD2 C 13 23.6820 0.0000 . 2 . . . . A 62 LEU CD2 . 31057 1 850 . 1 . 1 62 62 LEU N N 15 128.3430 0.0000 . 1 . . . . A 62 LEU N . 31057 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 31057 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D CBCA(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN C13 N15 AbdA_cbcaconh.nv 2580.9921875 10500.0 1300.01000977 599.664978027 150.792007446 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {62.H} 7.79358 0.02548 0.04777 ++ {0.0} {i.h} {61.CA} 56.60129 0.68533 1.19293 ++ {0.0} {i-1.ca} {62.N} 128.34044 0.32350 0.63518 ++ {0.0} {i.n} 0.0 1.1439 1 {} 0 1 {62.H} 7.79400 0.02478 0.04443 ++ {0.0} {i.h} {61.CB} 30.41135 0.65581 1.15195 ++ {0.0} {i-1.cb} {62.N} 128.33971 0.32115 0.61864 ++ {0.0} {i.n} 0.0 0.5678 1 {} 0 2 {} 8.51932 0.03291 0.06328 ++ {0.0} {} {} 70.04317 0.68429 1.00125 ++ {0.0} {} {} 124.34943 0.30647 0.50765 ++ {0.0} {} 0.0 0.1218 1 {} 0 3 {37.H} 8.37113 0.02481 0.05258 ++ {0.0} {i.h} {36.CA} 64.75964 0.67479 1.11225 ++ {0.0} {i-1.ca} {37.N} 124.34128 0.30537 0.58182 ++ {0.0} {i.n} 0.0 0.4417 1 {} 0 4 {} 8.51959 0.03908 0.08340 ++ {0.0} {} {} 62.03162 0.66517 1.06960 ++ {0.0} {} {} 124.35886 0.30301 0.55487 ++ {0.0} {} 0.0 0.2478 1 {} 0 5 {37.H} 8.37015 0.02147 0.03799 ++ {0.0} {i.h} {36.CB} 38.00271 0.66411 1.00409 ++ {0.0} {i-1.cb} {37.N} 124.34037 0.29439 0.50528 ++ {0.0} {i.n} 0.0 0.1475 1 {} 0 6 {5.H} 8.50169 0.02893 0.07281 ++ {0.0} {i.h} {4.CA} 56.25021 0.51597 1.00426 ++ {0.0} {i-1.ca} {5.N} 123.56760 0.33418 0.63155 ++ {0.0} {i.n} 0.0 0.3798 1 {} 0 7 {5.H} 8.50031 0.02563 0.05593 ++ {0.0} {i.h} {4.CB} 30.89553 0.64258 1.05335 ++ {0.0} {i-1.cb} {5.N} 123.53369 0.33879 0.59551 ++ {0.0} {i.n} 0.0 0.1727 1 {} 0 8 {12.H} 9.09204 0.03040 0.05176 ++ {0.0} {i.h} {11.CA} 61.07449 0.60255 0.78870 ++ {0.0} {i-1.ca} {12.N} 123.34105 0.28518 0.42973 ++ {0.0} {i.n} 0.0 0.0848 1 {} 0 9 {18.H} 8.19173 0.02590 0.05106 ++ {0.0} {i.h} {17.CA} 58.75571 0.59827 1.04211 ++ {0.0} {i-1.ca} {18.N} 123.37509 0.32299 0.60120 ++ {0.0} {i.n} 0.0 0.3017 1 {} 0 10 {18.H} 8.19266 0.03057 0.04426 ++ {0.0} {i.h} {17.CB} 30.20166 0.68804 0.96642 ++ {0.0} {i-1.cb} {18.N} 123.39816 0.34719 0.54450 ++ {0.0} {i.n} 0.0 0.0969 1 {} 0 11 {54.H} 8.16106 0.02408 0.05459 ++ {0.0} {i.h} {53.CA} 55.64243 0.67824 1.14698 ++ {0.0} {i-1.ca} {54.N} 123.01205 0.29688 0.56801 ++ {0.0} {i.n} 0.0 0.4824 1 {} 0 12 {54.H} 8.16093 0.02451 0.05021 ++ {0.0} {i.h} {53.CB} 37.79860 0.65140 1.11673 ++ {0.0} {i-1.cb} {54.N} 123.01476 0.29732 0.55841 ++ {0.0} {i.n} 0.0 0.3433 1 {} 0 13 {30.H} 8.85836 0.02821 0.04133 ++ {0.0} {i.h} {29.CB} 70.93595 0.59653 0.87658 ++ {0.0} {i-1.cb} {30.N} 122.67645 0.27969 0.43744 ++ {0.0} {i.n} 0.0 0.0960 1 {} 0 14 {30.H} 8.85951 0.02802 0.05664 ++ {0.0} {i.h} {29.CA} 60.37320 0.60841 1.02195 ++ {0.0} {i-1.ca} {30.N} 122.67869 0.29020 0.52305 ++ {0.0} {i.n} 0.0 0.2117 1 {} 0 15 {8.H} 8.56488 0.03179 0.06475 ++ {0.0} {i.h} {7.CA} 56.13941 0.64444 1.06992 ++ {0.0} {i-1.ca} {8.N} 122.56559 0.33187 0.58608 ++ {0.0} {i.n} 0.0 0.1788 1 {} 0 16 {8.H} 8.56534 0.03568 0.05562 ++ {0.0} {i.h} {7.CB} 31.13337 0.63410 0.92274 ++ {0.0} {i-1.cb} {8.N} 122.58121 0.34261 0.54606 ++ {0.0} {i.n} 0.0 0.1030 1 {} 0 17 {50.H} 8.16350 0.02325 0.05123 ++ {0.0} {i.h} {49.CA} 64.47891 0.65407 1.11151 ++ {0.0} {i-1.ca} {50.N} 122.33154 0.31232 0.59354 ++ {0.0} {i.n} 0.0 0.4201 1 {} 0 18 {61.H} 8.24760 0.02630 0.05152 ++ {0.0} {i.h} {60.CA} 56.57693 0.69464 1.20794 ++ {0.0} {i-1.ca} {61.N} 122.00571 0.29800 0.58460 ++ {0.0} {i.n} 0.0 1.0925 1 {} 0 19 {61.H} 8.24801 0.02583 0.04934 ++ {0.0} {i.h} {60.CB} 33.04683 0.67829 1.15017 ++ {0.0} {i-1.cb} {61.N} 122.00634 0.29498 0.56928 ++ {0.0} {i.n} 0.0 0.5968 1 {} 0 20 {48.H} 8.56178 0.02397 0.04773 ++ {0.0} {i.h} {47.CA} 64.13951 0.63599 1.09184 ++ {0.0} {i-1.ca} {48.N} 121.64303 0.31772 0.58852 ++ {0.0} {i.n} 0.0 0.2834 1 {} 0 21 {39.H} 8.18852 0.02302 0.04835 ++ {0.0} {i.h} {38.CA} 58.39811 0.65711 1.11686 ++ {0.0} {i-1.ca} {39.N} 121.67077 0.28693 0.55243 ++ {0.0} {i.n} 0.0 0.5602 1 {} 0 22 {28.H} 8.41382 0.02904 0.05227 ++ {0.0} {i.h} {27.CA} 56.78228 0.60930 0.99760 ++ {0.0} {i-1.ca} {28.N} 121.68318 0.30055 0.54499 ++ {0.0} {i.n} 0.0 0.2241 1 {} 0 23 {28.H} 8.41372 0.02692 0.04334 ++ {0.0} {i.h} {27.CB} 41.08726 0.69250 1.02920 ++ {0.0} {i-1.cb} {28.N} 121.68322 0.29879 0.50679 ++ {0.0} {i.n} 0.0 0.1377 1 {} 0 24 {48.H} 8.56107 0.02163 0.03601 ++ {0.0} {i.h} {47.CB} 36.77531 0.64410 0.90904 ++ {0.0} {i-1.cb} {48.N} 121.65372 0.30496 0.48145 ++ {0.0} {i.n} 0.0 0.0993 1 {} 0 25 {39.H} 8.18882 0.02312 0.04211 ++ {0.0} {i.h} {38.CB} 29.15983 0.70478 1.14977 ++ {0.0} {i-1.cb} {39.N} 121.66912 0.29285 0.54415 ++ {0.0} {i.n} 0.0 0.2950 1 {} 0 26 {22.H} 9.05742 0.02174 0.05182 ++ {0.0} {i.h} {21.CA} 59.18672 0.66135 1.07248 ++ {0.0} {i-1.ca} {22.N} 121.33466 0.30378 0.57153 ++ {0.0} {i.n} 0.0 0.3527 1 {} 0 27 {22.H} 9.05755 0.02154 0.03860 ++ {0.0} {i.h} {21.CB} 28.88330 0.62041 0.93446 ++ {0.0} {i-1.cb} {22.N} 121.33762 0.29538 0.49713 ++ {0.0} {i.n} 0.0 0.1320 1 {} 0 28 {16.H} 8.22973 0.02019 0.03377 ++ {0.0} {i.h} {} 68.78933 0.59176 0.91156 ++ {0.0} {i-1.cb} {16.N} 121.01111 0.30278 0.49998 ++ {0.0} {i.n} 0.0 0.1200 1 {} 0 29 {16.H} 8.23248 0.02558 0.04604 ++ {0.0} {i.h} {15.CA} 67.53719 0.61950 1.00553 ++ {0.0} {i-1.ca} {16.N} 121.00842 0.30368 0.55226 ++ {0.0} {i.n} 0.0 0.2306 1 {} 0 30 {60.H} 8.09330 0.02519 0.05311 ++ {0.0} {i.h} {59.CA} 56.98885 0.68535 1.17578 ++ {0.0} {i-1.ca} {60.N} 121.00383 0.29813 0.57952 ++ {0.0} {i.n} 0.0 0.7447 1 {} 0 31 {60.H} 8.09334 0.02442 0.05185 ++ {0.0} {i.h} {59.CB} 32.96865 0.68601 1.16721 ++ {0.0} {i-1.cb} {60.N} 121.00449 0.29291 0.55764 ++ {0.0} {i.n} 0.0 0.4348 1 {} 0 32 {44.H} 9.14600 0.02561 0.03802 ++ {0.0} {i.h} {43.CB} 71.21121 0.61616 0.79687 ++ {0.0} {i-1.cb} {44.N} 120.59255 0.31360 0.44114 ++ {0.0} {i.n} 0.0 0.0705 1 {} 0 33 {10.H} 8.16858 0.02923 0.04971 ++ {0.0} {i.h} {9.CB} 70.14099 0.58204 0.99672 ++ {0.0} {i-1.cb} {10.N} 120.67467 0.29997 0.54023 ++ {0.0} {i.n} 0.0 0.2102 1 {} 0 34 {10.H} 8.16841 0.02700 0.05400 ++ {0.0} {i.h} {9.CA} 62.02800 0.65828 1.12568 ++ {0.0} {i-1.ca} {10.N} 120.68192 0.30990 0.59258 ++ {0.0} {i.n} 0.0 0.4763 1 {} 0 35 {44.H} 9.14239 0.02457 0.04277 ++ {0.0} {i.h} {43.CA} 60.44852 0.68448 1.03992 ++ {0.0} {i-1.ca} {44.N} 120.58602 0.34703 0.58852 ++ {0.0} {i.n} 0.0 0.1376 1 {} 0 36 {36.H} 8.67087 0.02495 0.05219 ++ {0.0} {i.h} {} 59.71593 0.67020 1.11722 ++ {0.0} {i-1.ca} {36.N} 120.68460 0.32102 0.60993 ++ {0.0} {i.n} 0.0 0.4183 1 {} 0 37 {47.H} 8.02601 0.02462 0.04860 ++ {0.0} {i.h} {46.CA} 59.46888 0.67117 1.06395 ++ {0.0} {i-1.ca} {47.N} 120.62661 0.32763 0.60080 ++ {0.0} {i.n} 0.0 0.2517 1 {} 0 38 {7.H} 8.29674 0.03157 0.09212 ++ {0.0} {i.h} {6.CA} 45.14937 0.69238 1.17006 ++ {0.0} {i-1.ca} {7.N} 120.73116 0.33641 0.64639 ++ {0.0} {i.n} 0.0 0.5324 1 {} 0 39 {36.H} 8.67200 0.02456 0.04678 ++ {0.0} {i.h} {35.CB} 30.20734 0.67584 1.04724 ++ {0.0} {i-1.cb} {36.N} 120.68387 0.31951 0.56472 ++ {0.0} {i.n} 0.0 0.1799 1 {} 0 40 {47.H} 8.02654 0.02490 0.03676 ++ {0.0} {i.h} {46.CB} 29.45747 0.59767 0.86201 ++ {0.0} {i-1.cb} {47.N} 120.62153 0.31742 0.50544 ++ {0.0} {i.n} 0.0 0.1026 1 {} 0 41 {35.H} 7.78415 0.02119 0.05153 ++ {0.0} {i.h} {34.CA} 65.45287 0.67187 1.12752 ++ {0.0} {i-1.ca} {35.N} 120.33956 0.29378 0.56215 ++ {0.0} {i.n} 0.0 0.4839 1 {} 0 42 {35.H} 7.78418 0.02055 0.03823 ++ {0.0} {i.h} {34.CB} 38.31907 0.61380 1.01007 ++ {0.0} {i-1.cb} {35.N} 120.34209 0.29818 0.50921 ++ {0.0} {i.n} 0.0 0.1432 1 {} 0 43 {42.H} 8.27517 0.02999 0.05517 ++ {0.0} {i.h} {41.CA} 60.43163 0.67444 1.11358 ++ {0.0} {i-1.ca} {42.N} 120.00179 0.29292 0.54883 ++ {0.0} {i.n} 0.0 0.3312 1 {} 0 44 {21.H} 7.90064 0.02547 0.06024 ++ {0.0} {i.h} {20.CA} 59.86580 0.68375 1.17224 ++ {0.0} {i-1.ca} {21.N} 120.00208 0.29492 0.56682 ++ {0.0} {i.n} 0.0 0.5358 1 {} 0 45 {21.H} 7.90052 0.02359 0.05081 ++ {0.0} {i.h} {20.CB} 32.40469 0.65079 1.05488 ++ {0.0} {i-1.cb} {21.N} 120.00302 0.28767 0.53236 ++ {0.0} {i.n} 0.0 0.2801 1 {} 0 46 {42.H} 8.27567 0.02973 0.05609 ++ {0.0} {i.h} {41.CB} 24.90086 0.67629 1.11372 ++ {0.0} {i-1.cb} {42.N} 120.00206 0.29470 0.55797 ++ {0.0} {i.n} 0.0 0.3922 1 {} 0 47 {49.H} 8.59616 0.02461 0.04838 ++ {0.0} {i.h} {48.CA} 60.22448 0.64123 1.06950 ++ {0.0} {i-1.ca} {49.N} 119.59255 0.33347 0.60373 ++ {0.0} {i.n} 0.0 0.2207 1 {} 0 48 {58.H} 7.49450 0.02380 0.05190 ++ {0.0} {i.h} {57.CA} 57.37730 0.64840 1.13304 ++ {0.0} {i-1.ca} {58.N} 119.69253 0.33656 0.64373 ++ {0.0} {i.n} 0.0 0.4792 1 {} 0 49 {59.H} 7.89031 0.02435 0.04927 ++ {0.0} {i.h} {58.CA} 56.11760 0.62163 1.09464 ++ {0.0} {i-1.ca} {59.N} 119.73491 0.34231 0.64580 ++ {0.0} {i.n} 0.0 0.3689 1 {} 0 50 {59.H} 7.89051 0.02515 0.04414 ++ {0.0} {i.h} {58.CB} 42.26025 0.70063 1.14020 ++ {0.0} {i-1.cb} {59.N} 119.74088 0.34592 0.61253 ++ {0.0} {i.n} 0.0 0.1825 1 {} 0 51 {49.H} 8.59521 0.02452 0.03884 ++ {0.0} {i.h} {48.CB} 33.25985 0.67227 0.98480 ++ {0.0} {i-1.cb} {49.N} 119.61256 0.31635 0.51649 ++ {0.0} {i.n} 0.0 0.1139 1 {} 0 52 {58.H} 7.49395 0.02243 0.04372 ++ {0.0} {i.h} {57.CB} 32.50323 0.68549 1.10843 ++ {0.0} {i-1.cb} {58.N} 119.69721 0.32968 0.60368 ++ {0.0} {i.n} 0.0 0.2477 1 {} 0 53 {32.H} 7.70890 0.02579 0.04888 ++ {0.0} {i.h} {31.CA} 59.27465 0.68746 1.16582 ++ {0.0} {i-1.ca} {32.N} 119.26333 0.32708 0.60370 ++ {0.0} {i.n} 0.0 0.2712 1 {} 0 54 {33.H} 8.47902 0.02405 0.05438 ++ {0.0} {i.h} {32.CA} 57.36938 0.63280 1.14274 ++ {0.0} {i-1.ca} {33.N} 119.34000 0.30628 0.58334 ++ {0.0} {i.n} 0.0 0.4385 1 {} 0 55 {26.H} 8.65566 0.02827 0.05403 ++ {0.0} {i.h} {25.CA} 53.19023 0.66767 1.02060 ++ {0.0} {i-1.ca} {26.N} 119.34826 0.32998 0.56864 ++ {0.0} {i.n} 0.0 0.1512 1 {} 0 56 {} 8.19192 0.02890 0.04750 ++ {0.0} {} {} 43.55774 0.66124 1.05546 ++ {0.0} {} {} 119.32956 0.27510 0.50530 ++ {0.0} {} 0.0 0.2563 1 {} 0 57 {26.H} 8.65495 0.02852 0.05465 ++ {0.0} {i.h} {25.CB} 41.04677 0.56874 0.88147 ++ {0.0} {i-1.cb} {26.N} 119.34923 0.32508 0.55964 ++ {0.0} {i.n} 0.0 0.1502 1 {} 0 58 {32.H} 7.70699 0.01968 0.03560 ++ {0.0} {i.h} {31.CB} 29.93935 0.65648 0.97858 ++ {0.0} {i-1.cb} {32.N} 119.28799 0.32917 0.55111 ++ {0.0} {i.n} 0.0 0.1284 1 {} 0 59 {33.H} 8.47862 0.02210 0.04133 ++ {0.0} {i.h} {32.CB} 29.84830 0.66606 1.01933 ++ {0.0} {i-1.cb} {33.N} 119.34732 0.31043 0.54176 ++ {0.0} {i.n} 0.0 0.1642 1 {} 0 60 {52.H} 8.22289 0.02410 0.04910 ++ {0.0} {i.h} {51.CA} 63.59512 0.62789 1.12172 ++ {0.0} {i-1.ca} {52.N} 118.99957 0.29573 0.55701 ++ {0.0} {i.n} 0.0 0.3590 1 {} 0 61 {51.H} 9.00934 0.02690 0.05032 ++ {0.0} {i.h} {50.CA} 63.40252 0.68533 1.03256 ++ {0.0} {i-1.ca} {51.N} 119.08929 0.33323 0.57484 ++ {0.0} {i.n} 0.0 0.1522 1 {} 0 62 {19.H} 8.18956 0.02212 0.05159 ++ {0.0} {i.h} {18.CA} 58.35520 0.63844 1.09186 ++ {0.0} {i-1.ca} {19.N} 119.00587 0.29558 0.56033 ++ {0.0} {i.n} 0.0 0.4011 1 {} 0 63 {17.H} 7.73900 0.02506 0.04954 ++ {0.0} {i.h} {16.CA} 58.29645 0.60958 1.10019 ++ {0.0} {i-1.ca} {17.N} 118.98209 0.32003 0.60616 ++ {0.0} {i.n} 0.0 0.3951 1 {} 0 64 {17.H} 7.73730 0.02190 0.04780 ++ {0.0} {i.h} {16.CB} 41.84512 0.60085 1.04376 ++ {0.0} {i-1.cb} {17.N} 118.98698 0.31581 0.57328 ++ {0.0} {i.n} 0.0 0.2265 1 {} 0 65 {52.H} 8.22319 0.02413 0.04318 ++ {0.0} {i.h} {51.CB} 39.72763 0.69316 1.07758 ++ {0.0} {i-1.cb} {52.N} 119.00366 0.28520 0.50503 ++ {0.0} {i.n} 0.0 0.1825 1 {} 0 66 {19.H} 8.18895 0.02167 0.04049 ++ {0.0} {i.h} {18.CB} 37.69139 0.64878 1.00180 ++ {0.0} {i-1.cb} {19.N} 119.00738 0.28457 0.49775 ++ {0.0} {i.n} 0.0 0.1668 1 {} 0 67 {51.H} 9.01318 0.02311 0.02751 ++ {0.0} {i.h} {50.CB} 29.37687 0.56987 0.69106 ++ {0.0} {i-1.cb} {51.N} 119.04871 0.31762 0.41053 ++ {0.0} {i.n} 0.0 0.0591 1 {} 0 68 {45.H} 8.34536 0.02383 0.05421 ++ {0.0} {i.h} {44.CA} 61.32890 0.65560 1.13220 ++ {0.0} {i-1.ca} {45.N} 118.67186 0.30360 0.57877 ++ {0.0} {i.n} 0.0 0.4469 1 {} 0 69 {45.H} 8.34555 0.02253 0.04052 ++ {0.0} {i.h} {44.CB} 30.00897 0.58914 1.03530 ++ {0.0} {i-1.cb} {45.N} 118.66886 0.29502 0.53425 ++ {0.0} {i.n} 0.0 0.2212 1 {} 0 70 {34.H} 7.97490 0.02483 0.05073 ++ {0.0} {i.h} {33.CA} 60.81336 0.66987 1.09836 ++ {0.0} {i-1.ca} {34.N} 118.25226 0.32749 0.59785 ++ {0.0} {i.n} 0.0 0.2398 1 {} 0 71 {57.H} 7.36302 0.02626 0.05859 ++ {0.0} {i.h} {56.CA} 57.69577 0.68000 1.16988 ++ {0.0} {i-1.ca} {57.N} 118.33236 0.29427 0.56854 ++ {0.0} {i.n} 0.0 0.6157 1 {} 0 72 {57.H} 7.36211 0.02556 0.04371 ++ {0.0} {i.h} {56.CB} 32.24015 0.64905 1.00289 ++ {0.0} {i-1.cb} {57.N} 118.33134 0.28759 0.51299 ++ {0.0} {i.n} 0.0 0.1935 1 {} 0 73 {34.H} 7.97230 0.02674 0.03893 ++ {0.0} {i.h} {33.CB} 30.44080 0.55268 0.82874 ++ {0.0} {i-1.cb} {34.N} 118.29118 0.30108 0.47716 ++ {0.0} {i.n} 0.0 0.1008 1 {} 0 74 {56.H} 7.48970 0.02447 0.04890 ++ {0.0} {i.h} {55.CA} 60.15349 0.65288 1.05906 ++ {0.0} {i-1.ca} {56.N} 118.00865 0.32226 0.60621 ++ {0.0} {i.n} 0.0 0.3519 1 {} 0 75 {13.H} 8.42184 0.02229 0.04856 ++ {0.0} {i.h} {12.CA} 59.83058 0.65748 1.12253 ++ {0.0} {i-1.ca} {13.N} 118.01466 0.32886 0.61964 ++ {0.0} {i.n} 0.0 0.3612 1 {} 0 76 {53.H} 8.31900 0.02502 0.05078 ++ {0.0} {i.h} {52.CA} 59.51396 0.62017 1.10907 ++ {0.0} {i-1.ca} {53.N} 118.00198 0.30319 0.57499 ++ {0.0} {i.n} 0.0 0.4041 1 {} 0 77 {56.H} 7.48899 0.02643 0.03642 ++ {0.0} {i.h} {55.CB} 31.63403 0.70256 0.91837 ++ {0.0} {i-1.cb} {56.N} 118.01080 0.32765 0.48477 ++ {0.0} {i.n} 0.0 0.0804 1 {} 0 78 {13.H} 8.42225 0.02331 0.04010 ++ {0.0} {i.h} {12.CB} 29.53070 0.64461 0.98573 ++ {0.0} {i-1.cb} {13.N} 118.01120 0.31948 0.55637 ++ {0.0} {i.n} 0.0 0.1618 1 {} 0 79 {53.H} 8.31927 0.02221 0.04196 ++ {0.0} {i.h} {52.CB} 28.45823 0.63518 1.03721 ++ {0.0} {i-1.cb} {53.N} 118.00304 0.29097 0.53308 ++ {0.0} {i.n} 0.0 0.2491 1 {} 0 80 {55.H} 7.96623 0.02485 0.05129 ++ {0.0} {i.h} {54.CA} 56.43588 0.63598 1.08140 ++ {0.0} {i-1.ca} {55.N} 117.66241 0.28460 0.53876 ++ {0.0} {i.n} 0.0 0.3911 1 {} 0 81 {55.H} 7.96503 0.02251 0.04041 ++ {0.0} {i.h} {54.CB} 28.33523 0.60213 0.91797 ++ {0.0} {i-1.cb} {55.N} 117.65850 0.27770 0.47620 ++ {0.0} {i.n} 0.0 0.1467 1 {} 0 82 {} 7.99750 0.02536 0.05782 ++ {0.0} {} {} 59.60942 0.67460 1.14980 ++ {0.0} {} {} 117.33023 0.29847 0.57239 ++ {0.0} {} 0.0 0.5086 -1 {} 0 83 {24.H} 7.62667 0.02770 0.05083 ++ {0.0} {i.h} {23.CA} 58.78994 0.67435 1.08787 ++ {0.0} {i-1.ca} {24.N} 117.34936 0.33620 0.62519 ++ {0.0} {i.n} 0.0 0.2979 1 {} 0 84 {9.H} 8.17896 0.03380 0.08277 ++ {0.0} {i.h} {8.CA} 55.66127 0.65235 1.05837 ++ {0.0} {i-1.ca} {9.N} 117.32869 0.29633 0.55464 ++ {0.0} {i.n} 0.0 0.3262 1 {} 0 85 {41.H} 8.01395 0.02700 0.05187 ++ {0.0} {i.h} {40.CA} 54.27712 0.66876 1.11531 ++ {0.0} {i-1.ca} {41.N} 117.34486 0.33337 0.62939 ++ {0.0} {i.n} 0.0 0.3713 1 {} 0 86 {41.H} 8.01389 0.02499 0.04381 ++ {0.0} {i.h} {40.CB} 42.64927 0.58879 0.97788 ++ {0.0} {i-1.cb} {41.N} 117.34315 0.32958 0.59135 ++ {0.0} {i.n} 0.0 0.2033 1 {} 0 87 {} 7.99791 0.02501 0.04192 ++ {0.0} {} {} 30.06025 0.66606 1.05107 ++ {0.0} {} {} 117.33107 0.29529 0.53105 ++ {0.0} {} 0.0 0.2075 -1 {} 0 88 {9.H} 8.17781 0.03547 0.07089 ++ {0.0} {i.h} {8.CB} 29.59066 0.63830 1.03379 ++ {0.0} {i-1.cb} {9.N} 117.33087 0.29510 0.52622 ++ {0.0} {i.n} 0.0 0.1929 1 {} 0 89 {24.H} 7.62711 0.02631 0.04507 ++ {0.0} {i.h} {23.CB} 29.06824 0.57441 0.98607 ++ {0.0} {i-1.cb} {24.N} 117.34142 0.33672 0.59165 ++ {0.0} {i.n} 0.0 0.1723 1 {} 0 90 {25.H} 8.34401 0.02345 0.05025 ++ {0.0} {i.h} {24.CA} 59.70308 0.67832 1.15588 ++ {0.0} {i-1.ca} {25.N} 116.66097 0.29946 0.57392 ++ {0.0} {i.n} 0.0 0.5012 1 {} 0 91 {25.H} 8.34359 0.02428 0.04610 ++ {0.0} {i.h} {24.CB} 39.76498 0.69437 1.13628 ++ {0.0} {i-1.cb} {25.N} 116.66266 0.30061 0.55909 ++ {0.0} {i.n} 0.0 0.2985 1 {} 0 92 {14.H} 7.76656 0.02555 0.05480 ++ {0.0} {i.h} {13.CA} 61.34970 0.67208 1.12880 ++ {0.0} {i-1.ca} {14.N} 115.99461 0.30084 0.57277 ++ {0.0} {i.n} 0.0 0.4352 1 {} 0 93 {31.H} 8.33248 0.02278 0.04839 ++ {0.0} {i.h} {30.CA} 60.32121 0.61642 1.11910 ++ {0.0} {i-1.ca} {31.N} 115.99172 0.29246 0.56147 ++ {0.0} {i.n} 0.0 0.5218 1 {} 0 94 {14.H} 7.76636 0.02585 0.04467 ++ {0.0} {i.h} {13.CB} 39.62905 0.70981 1.11024 ++ {0.0} {i-1.cb} {14.N} 115.99599 0.29777 0.53319 ++ {0.0} {i.n} 0.0 0.1998 1 {} 0 95 {31.H} 8.33160 0.02318 0.03992 ++ {0.0} {i.h} {30.CB} 29.38135 0.66260 1.04509 ++ {0.0} {i-1.cb} {31.N} 115.99202 0.28934 0.51898 ++ {0.0} {i.n} 0.0 0.2028 1 {} 0 96 {27.H} 7.99554 0.02886 0.05388 ++ {0.0} {i.h} {} 54.74931 0.58377 0.96787 ++ {0.0} {i-1.ca} {27.N} 114.96712 0.30513 0.54613 ++ {0.0} {i.n} 0.0 0.1990 1 {} 0 97 {} 8.06681 0.01347 0.01904 ++ {0.0} {} {} 41.03959 0.67592 0.87982 ++ {0.0} {} {} 115.02618 0.29464 0.41820 ++ {0.0} {} 0.0 0.0721 1 {} 0 98 {} 7.29412 0.01928 0.02491 ++ {0.0} {} {} 41.01390 0.57310 0.77857 ++ {0.0} {} {} 114.99136 0.30396 0.42707 ++ {0.0} {} 0.0 0.0703 1 {} 0 99 {27.H} 7.99554 0.02792 0.03985 ++ {0.0} {i.h} {26.CB} 29.04307 0.68802 0.98877 ++ {0.0} {i-1.cb} {27.N} 114.97040 0.31598 0.50338 ++ {0.0} {i.n} 0.0 0.1028 1 {} 0 100 {11.H} 9.19331 0.02640 0.05028 ++ {0.0} {i.h} {10.CA} 56.82133 0.64095 1.07221 ++ {0.0} {i-1.ca} {11.N} 114.59143 0.33034 0.59472 ++ {0.0} {i.n} 0.0 0.2095 1 {} 0 101 {11.H} 9.19479 0.02799 0.04174 ++ {0.0} {i.h} {10.CB} 40.20573 0.64546 0.95871 ++ {0.0} {i-1.cb} {11.N} 114.58335 0.33317 0.53264 ++ {0.0} {i.n} 0.0 0.1043 1 {} 0 102 {23.H} 7.93780 0.02246 0.04886 ++ {0.0} {i.h} {22.CA} 60.71577 0.67288 1.11429 ++ {0.0} {i-1.ca} {23.N} 114.31683 0.29506 0.55864 ++ {0.0} {i.n} 0.0 0.3923 1 {} 0 103 {38.H} 8.02326 0.02363 0.04712 ++ {0.0} {i.h} {37.CA} 56.54279 0.66286 1.14309 ++ {0.0} {i-1.ca} {38.N} 114.27246 0.32153 0.60368 ++ {0.0} {i.n} 0.0 0.3417 1 {} 0 104 {23.H} 7.93783 0.01976 0.04089 ++ {0.0} {i.h} {22.CB} 39.20987 0.66238 1.03896 ++ {0.0} {i-1.cb} {23.N} 114.32044 0.28717 0.51458 ++ {0.0} {i.n} 0.0 0.2010 1 {} 0 105 {38.H} 8.02389 0.02356 0.04027 ++ {0.0} {i.h} {37.CB} 17.48097 0.65686 1.04588 ++ {0.0} {i-1.cb} {38.N} 114.27290 0.31389 0.55446 ++ {0.0} {i.n} 0.0 0.1791 1 {} 0 106 {15.H} 8.52929 0.02197 0.04927 ++ {0.0} {i.h} {14.CA} 59.27729 0.64225 1.10981 ++ {0.0} {i-1.ca} {15.N} 113.61050 0.32657 0.60469 ++ {0.0} {i.n} 0.0 0.2820 1 {} 0 107 {15.H} 8.52840 0.02086 0.03534 ++ {0.0} {i.h} {14.CB} 27.87237 0.58991 0.85483 ++ {0.0} {i-1.cb} {15.N} 113.62151 0.32525 0.52236 ++ {0.0} {i.n} 0.0 0.1062 1 {} 0 108 {40.H} 8.40087 0.02818 0.05556 ++ {0.0} {i.h} {39.CA} 55.14666 0.64955 1.12851 ++ {0.0} {i-1.ca} {40.N} 112.98714 0.30026 0.57198 ++ {0.0} {i.n} 0.0 0.4400 1 {} 0 109 {40.H} 8.40270 0.02824 0.05149 ++ {0.0} {i.h} {39.CB} 18.74601 0.63834 1.10121 ++ {0.0} {i-1.cb} {40.N} 112.98663 0.29620 0.54354 ++ {0.0} {i.n} 0.0 0.2536 1 {} 0 110 {} 7.53176 0.01581 0.02471 ++ {0.0} {} {} 33.89123 0.70717 1.05735 ++ {0.0} {} {} 112.35306 0.33347 0.56488 ++ {0.0} {} 0.0 0.1367 1 {} 0 111 {53.HD22} 6.86373 0.01894 0.02871 ++ {0.0} {i.h} {} 33.85396 0.63758 0.99722 ++ {0.0} {i-1.cb,ca} {53.ND2} 112.32778 0.32747 0.53818 ++ {0.0} {i.n} 0.0 0.1173 1 {} 0 112 {} 7.53014 0.01401 0.01864 ++ {0.0} {} {} 29.57525 0.61531 0.77499 ++ {0.0} {} {} 112.32849 0.31494 0.43213 ++ {0.0} {} 0.0 0.0666 1 {} 0 113 {29.H} 7.64712 0.02866 0.05152 ++ {0.0} {i.h} {28.CA} 53.34965 0.69867 1.09129 ++ {0.0} {i-1.ca} {29.N} 111.71671 0.34653 0.61970 ++ {0.0} {i.n} 0.0 0.1976 1 {} 0 114 {29.H} 7.64600 0.02459 0.03636 ++ {0.0} {i.h} {28.CB} 44.55581 0.67999 0.94993 ++ {0.0} {i-1.cb} {29.N} 111.72887 0.33599 0.51526 ++ {0.0} {i.n} 0.0 0.0897 1 {} 0 115 {} 7.54981 0.01050 0.02103 ++ {0.0} {} {} 33.74346 0.60299 0.92974 ++ {0.0} {} {} 110.64223 0.29355 0.49891 ++ {0.0} {} 0.0 0.1392 1 {} 0 116 {} 6.92829 0.01919 0.02709 ++ {0.0} {} {} 33.78177 0.64285 0.88088 ++ {0.0} {} {} 110.65187 0.34465 0.52229 ++ {0.0} {} 0.0 0.0863 1 {} 0 117 {6.H} 8.46960 0.03361 0.06946 ++ {0.0} {i.h} {5.CA} 56.24355 0.64860 1.06778 ++ {0.0} {i-1.ca} {6.N} 110.38961 0.34102 0.61816 ++ {0.0} {i.n} 0.0 0.2233 1 {} 0 118 {6.H} 8.46951 0.03460 0.05337 ++ {0.0} {i.h} {5.CB} 31.07980 0.64265 0.96994 ++ {0.0} {i-1.cb} {6.N} 110.38118 0.34255 0.57334 ++ {0.0} {i.n} 0.0 0.1282 1 {} 0 119 {43.H} 8.76724 0.03217 0.05406 ++ {0.0} {i.h} {42.CA} 52.67583 0.70022 1.12381 ++ {0.0} {i-1.ca} {43.N} 109.33117 0.33640 0.61969 ++ {0.0} {i.n} 0.0 0.2650 1 {} 0 120 {43.H} 8.76733 0.02784 0.04610 ++ {0.0} {i.h} {42.CB} 47.53369 0.60157 0.90982 ++ {0.0} {i-1.cb} {43.N} 109.32427 0.32780 0.56034 ++ {0.0} {i.n} 0.0 0.1439 1 {} 0 121 {50.H} 8.16140 0.02451 0.05554 ++ {0.0} {i.h} {49.CB} 38.41570 0.65140 1.16005 ++ {0.0} {i-1.cb} {50.N} 122.34350 0.29732 0.57610 ++ {0.0} {i.n} 0.0 0.3433 1 {} 0 122 {} 6.89516 0.01938 0.02573 ++ {0.0} {} {} 35.80830 0.66695 0.89587 ++ {0.0} {} {} 111.61972 0.40254 0.59090 ++ {0.0} {} 0.0 0.0323 1 {} 0 123 {} 6.89020 0.01303 0.02067 ++ {0.0} {} {} 37.76060 0.54436 0.76622 ++ {0.0} {} {} 111.62440 0.30348 0.43477 ++ {0.0} {} 0.0 0.0378 1 {} 0 124 {} 7.55046 0.01122 0.02056 ++ {0.0} {} {} 28.57929 0.66867 1.02952 ++ {0.0} {} {} 110.66385 0.30921 0.51197 ++ {0.0} {} 0.0 0.0499 1 {} 0 125 {12.H} 9.09332 0.02223 0.04955 ++ {0.0} {i.h} {11.CB} 71.15870 0.74419 0.97178 ++ {0.0} {i-1.cb} {12.N} 123.31879 0.24588 0.34755 ++ {0.0} {i.n} 0.0 0.0366 1 {} 0 126 {20.H} 7.78277 0.02324 0.02945 ++ {0.0} {i.h} {19.CA} 59.26751 0.59086 0.76186 ++ {0.0} {i-1.ca} {20.N} 120.35477 0.31876 0.43622 ++ {0.0} {i.n} 0.0 0.3167 0 {} 0 127 {20.H} 7.78210 0.02385 0.01623 ++ {0.0} {i.h} {19.CB} 29.15281 0.66437 0.46462 ++ {0.0} {i-1.cb} {20.N} 120.35129 0.32909 0.18358 ++ {0.0} {i.n} 0.0 0.1387 0 {} 0 128 {4.H} 8.60412 0.01830 0.02957 ++ {0.0} {i.h} {3.CB} 31.03193 0.53819 0.73899 ++ {0.0} {i-1.cb} {4.N} 123.70752 0.26626 0.40274 ++ {0.0} {i.n} 0.0 0.0281 0 {} 0 129 {4.H} 8.61192 0.03569 0.04584 ++ {0.0} {i.h} {3.CA} 56.39132 0.58482 0.81823 ++ {0.0} {i-1.ca} {4.N} 123.68822 0.28212 0.43417 ++ {0.0} {i.n} 0.0 0.0726 0 {} 0 130 {} 8.42225 0.02331 0.01893 ++ {0.0} {} {} 29.53070 0.64461 0.54499 ++ {0.0} {} {} 118.01120 0.31948 0.24411 ++ {0.0} {} 0.0 0.1618 0 {} 0 131 {46.H} 7.99750 0.02536 0.03896 ++ {0.0} {i.h} {45.CA} 59.60942 0.67460 0.96268 ++ {0.0} {i-1.ca} {46.N} 117.33023 0.29847 0.47958 ++ {0.0} {i.n} 0.0 0.5086 0 {} 0 132 {46.H} 7.99791 0.02501 0.02568 ++ {0.0} {i.h} {45.CB} 30.06025 0.66606 0.68221 ++ {0.0} {i-1.cb} {46.N} 117.33107 0.29529 0.30599 ++ {0.0} {i.n} 0.0 0.2075 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 HN . 'not observed' 6300 Hz . . . 4.776 . . 31057 1 2 . . C 13 C-aliphatic . 'not observed' 10500 Hz . . . 46.000 . . 31057 1 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 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 31057 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D C(CO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN C13 N15 AbdA_cconh.nv 2580.9921875 10500.0 1300.01000977 599.664978027 150.792007446 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {} 7.79686 0.02682 0.04849 ++ {0.0} {} {} 56.63702 0.72440 1.22372 ++ {0.0} {} {} 128.34036 0.32663 0.62614 ++ {0.0} {} 0.0 0.3229 0 {} 0 1 {} 7.79695 0.02610 0.04993 ++ {0.0} {} {61.CG} 36.39878 0.65811 1.24597 ++ {0.0} {} {} 128.33949 0.32109 0.63231 ++ {0.0} {} 0.0 0.8732 0 {} 0 2 {} 8.25389 0.02580 0.04129 ++ {0.0} {} {60.CG} 24.81302 0.66347 1.11750 ++ {0.0} {} {} 122.00698 0.28725 0.50361 ++ {0.0} {} 0.0 0.2655 0 {} 0 3 {} 8.25474 0.02019 0.04110 ++ {0.0} {} {60.CD} 29.06536 0.50549 0.89653 ++ {0.0} {} {} 122.00153 0.27757 0.50157 ++ {0.0} {} 0.0 0.3396 0 {} 0 4 {} 8.25433 0.02579 0.03102 ++ {0.0} {} {60.CE} 42.11049 0.61467 0.78423 ++ {0.0} {} {} 122.00231 0.28668 0.38336 ++ {0.0} {} 0.0 0.0989 0 {} 0 5 {} 8.19237 0.02432 0.05392 ++ {0.0} {} {} 29.16859 0.74736 1.32749 ++ {0.0} {} {} 121.67403 0.29776 0.57727 ++ {0.0} {} 0.0 0.4379 -1 {} 0 6 {} 8.19237 0.02432 0.05392 ++ {0.0} {} {} 29.16859 0.74736 1.32749 ++ {0.0} {} {} 121.67403 0.29776 0.57727 ++ {0.0} {} 0.0 0.4379 -1 {} 0 7 {} 8.16955 0.02186 0.03558 ++ {0.0} {} {49.CD1} 13.01149 0.57501 0.84912 ++ {0.0} {} {} 122.33564 0.28628 0.44046 ++ {0.0} {} 0.0 0.0581 0 {} 0 8 {} 8.16349 0.01818 0.03236 ++ {0.0} {} {49.CG1} 29.15412 0.56390 0.87523 ++ {0.0} {} {} 122.34458 0.29549 0.50770 ++ {0.0} {} 0.0 0.0952 0 {} 0 9 {} 8.16878 0.01818 0.03236 ++ {0.0} {} {49.CG2} 17.39501 0.56390 0.87523 ++ {0.0} {} {} 122.34458 0.29549 0.50770 ++ {0.0} {} 0.0 0.0952 0 {} 0 10 {} 7.37135 0.02649 0.06279 ++ {0.0} {} {56.CG} 32.12759 0.69625 1.23735 ++ {0.0} {} {} 118.32940 0.29939 0.58722 ++ {0.0} {} 0.0 0.4448 0 {} 0 11 {} 8.17018 0.02994 0.03745 ++ {0.0} {} {9.CG2} 21.46172 0.57309 0.73084 ++ {0.0} {} {} 120.67594 0.30539 0.41249 ++ {0.0} {} 0.0 0.1577 0 {} 0 12 {} 9.09988 0.01185 0.01693 ++ {0.0} {} {11.CG2} 21.73396 0.59083 0.61706 ++ {0.0} {} {} 123.31377 0.28666 0.30244 ++ {0.0} {} 0.0 0.0145 0 {} 0 13 {} 9.09393 0.02920 0.05400 ++ {0.0} {} {} 71.25449 0.69372 0.91359 ++ {0.0} {} {} 123.33315 0.29615 0.43279 ++ {0.0} {} 0.0 0.0255 0 {} 0 14 {} 8.24097 0.02621 0.05146 ++ {0.0} {} {15.CG2} 22.26279 0.57673 1.09746 ++ {0.0} {} {} 121.01159 0.29390 0.55791 ++ {0.0} {} 0.0 0.1350 0 {} 0 15 {} 9.14664 0.02136 0.03170 ++ {0.0} {} {43.CG2} 21.96252 0.69632 1.01171 ++ {0.0} {} {} 120.63745 0.36272 0.60909 ++ {0.0} {} 0.0 0.0428 0 {} 0 16 {} 9.06321 0.02594 0.05202 ++ {0.0} {} {21.CG} 35.75829 0.68438 1.21693 ++ {0.0} {} {} 121.33890 0.29625 0.56827 ++ {0.0} {} 0.0 0.1678 0 {} 0 17 {} 8.86413 0.02418 0.05028 ++ {0.0} {} {29.CG2} 22.08174 0.60724 1.03283 ++ {0.0} {} {} 122.68420 0.28702 0.51059 ++ {0.0} {} 0.0 0.0621 0 {} 0 18 {} 8.67616 0.02667 0.06028 ++ {0.0} {} {35.CG} 36.43515 0.68460 1.24147 ++ {0.0} {} {} 120.68107 0.30963 0.60548 ++ {0.0} {} 0.0 0.3085 0 {} 0 19 {} 8.35103 0.02550 0.06085 ++ {0.0} {} {44.CG} 37.98863 0.70313 1.26756 ++ {0.0} {} {} 118.67467 0.31355 0.61277 ++ {0.0} {} 0.0 0.3004 0 {} 0 20 {} 8.56419 0.01455 0.02151 ++ {0.0} {} {47.CD1} 13.13661 0.65502 1.03865 ++ {0.0} {} {} 121.66431 0.31347 0.51818 ++ {0.0} {} 0.0 0.0396 0 {} 0 21 {} 8.56632 0.02165 0.04271 ++ {0.0} {} {47.CG2} 19.16810 0.66303 1.13954 ++ {0.0} {} {} 121.64828 0.30974 0.57103 ++ {0.0} {} 0.0 0.0878 0 {} 0 22 {} 8.57258 0.01961 0.02954 ++ {0.0} {} {47.CG1} 28.29028 0.56582 0.85375 ++ {0.0} {} {} 121.64825 0.27133 0.45189 ++ {0.0} {} 0.0 0.0410 0 {} 0 23 {} 8.59887 0.02144 0.04850 ++ {0.0} {} {48.CG} 25.31160 0.80568 1.20565 ++ {0.0} {} {} 119.49397 0.31898 0.53559 ++ {0.0} {} 0.0 0.0428 0 {} 0 24 {} 8.60297 0.02293 0.04364 ++ {0.0} {} {48.CD} 29.96939 0.85844 1.25428 ++ {0.0} {} {} 119.57227 0.33981 0.59371 ++ {0.0} {} 0.0 0.0543 0 {} 0 25 {} 8.61254 0.01100 0.01529 ++ {0.0} {} {} 41.84232 0.78565 1.05587 ++ {0.0} {} {} 119.62868 0.24661 0.32292 ++ {0.0} {} 0.0 0.0199 -1 {} 0 26 {} 7.89246 0.01958 0.03024 ++ {0.0} {} {58.CG} 27.12238 0.69697 0.89975 ++ {0.0} {} {} 119.74342 0.35283 0.53356 ++ {0.0} {} 0.0 0.0282 0 {} 0 27 {} 7.90727 0.03090 0.06234 ++ {0.0} {} {20.CG} 24.94850 0.83507 1.23952 ++ {0.0} {} {} 119.97836 0.33119 0.62864 ++ {0.0} {} 0.0 0.1348 0 {} 0 28 {} 8.09951 0.02554 0.04986 ++ {0.0} {} {59.CG} 24.82381 0.71517 1.23466 ++ {0.0} {} {} 121.00864 0.29420 0.56434 ++ {0.0} {} 0.0 0.1680 0 {} 0 29 {} 8.09924 0.02506 0.05275 ++ {0.0} {} {59.CD} 29.16532 0.65944 1.09871 ++ {0.0} {} {} 121.00825 0.29091 0.56339 ++ {0.0} {} 0.0 0.2168 0 {} 0 30 {} 8.10137 0.02055 0.04175 ++ {0.0} {} {59.CE} 42.25655 0.63384 1.08497 ++ {0.0} {} {} 121.00610 0.27541 0.49778 ++ {0.0} {} 0.0 0.0713 0 {} 0 31 {} 7.49964 0.02178 0.03741 ++ {0.0} {} {55.CD} 43.40014 0.67070 1.18685 ++ {0.0} {} {} 117.99834 0.30952 0.55387 ++ {0.0} {} 0.0 0.0652 0 {} 0 32 {} 8.37885 0.02375 0.04304 ++ {0.0} {} {36.CG1} 28.53004 0.71162 1.29344 ++ {0.0} {} {} 124.33295 0.30868 0.55613 ++ {0.0} {} 0.0 0.0692 0 {} 0 33 {} 8.37716 0.02336 0.04795 ++ {0.0} {} {36.CG2} 18.05020 0.61372 1.16743 ++ {0.0} {} {} 124.34435 0.29367 0.55252 ++ {0.0} {} 0.0 0.1158 0 {} 0 34 {} 8.37621 0.02037 0.03569 ++ {0.0} {} {36.CD1} 14.34950 0.65809 1.16734 ++ {0.0} {} {} 124.33324 0.29255 0.52935 ++ {0.0} {} 0.0 0.0721 0 {} 0 35 {} 7.79532 0.02238 0.04879 ++ {0.0} {} {34.CD1} 13.68081 0.76112 1.20335 ++ {0.0} {} {} 120.34636 0.29615 0.52104 ++ {0.0} {} 0.0 0.0571 0 {} 0 36 {} 7.79367 0.02225 0.05194 ++ {0.0} {} {34.CG2} 17.21091 0.74898 1.29550 ++ {0.0} {} {} 120.34429 0.29162 0.54445 ++ {0.0} {} 0.0 0.1033 0 {} 0 37 {} 7.98311 0.01993 0.04035 ++ {0.0} {} {33.CG} 28.67757 0.57561 0.90484 ++ {0.0} {} {} 118.28104 0.30190 0.55094 ++ {0.0} {} 0.0 0.0784 0 {} 0 38 {} 7.99096 0.01351 0.02069 ++ {0.0} {} {33.CD} 43.84656 0.49358 0.76947 ++ {0.0} {} {} 118.31286 0.27679 0.45032 ++ {0.0} {} 0.0 0.0368 0 {} 0 39 {} 8.48486 0.02082 0.04493 ++ {0.0} {} {32.CG} 26.73027 0.55360 0.97385 ++ {0.0} {} {} 119.33339 0.29609 0.56204 ++ {0.0} {} 0.0 0.1348 0 {} 0 40 {} 8.48558 0.02812 0.04558 ++ {0.0} {} {32.CD} 42.89079 0.74015 1.37338 ++ {0.0} {} {} 119.33954 0.29962 0.53673 ++ {0.0} {} 0.0 0.0658 0 {} 0 41 {} 7.71377 0.02755 0.04198 ++ {0.0} {} {31.CG} 26.93701 0.71507 1.14761 ++ {0.0} {} {} 119.21809 0.34610 0.64208 ++ {0.0} {} 0.0 0.0948 0 {} 0 42 {} 7.71262 0.02254 0.04320 ++ {0.0} {} {31.CD} 43.29105 0.85804 1.31281 ++ {0.0} {} {} 119.20346 0.29918 0.53483 ++ {0.0} {} 0.0 0.0647 0 {} 0 43 {} 8.33709 0.02286 0.05430 ++ {0.0} {} {30.CG} 27.71705 0.55383 0.99918 ++ {0.0} {} {} 115.99089 0.28569 0.55317 ++ {0.0} {} 0.0 0.2154 0 {} 0 44 {} 8.33687 0.02537 0.05091 ++ {0.0} {} {30.CD} 43.37770 0.70262 1.26183 ++ {0.0} {} {} 115.98977 0.29669 0.56365 ++ {0.0} {} 0.0 0.1371 0 {} 0 45 {} 7.64997 0.02296 0.04296 ++ {0.0} {} {28.CD2} 23.85350 0.65813 0.98688 ++ {0.0} {} {} 111.70038 0.29150 0.48450 ++ {0.0} {} 0.0 0.0406 0 {} 0 46 {} 7.64798 0.01989 0.04088 ++ {0.0} {} {28.CD1} 26.67023 0.58256 0.90470 ++ {0.0} {} {} 111.92205 0.30141 0.52383 ++ {0.0} {} 0.0 0.0524 0 {} 0 47 {} 7.89427 0.02620 0.04753 ++ {0.0} {} {20.CE} 42.27497 0.75630 1.27567 ++ {0.0} {} {} 119.76278 0.34441 0.65573 ++ {0.0} {} 0.0 0.1429 0 {} 0 48 {} 7.79661 0.02456 0.04618 ++ {0.0} {} {34.CG1} 29.47018 0.61401 1.14219 ++ {0.0} {} {} 120.34792 0.32399 0.62466 ++ {0.0} {} 0.0 0.1907 0 {} 0 49 {} 8.19354 0.02645 0.05094 ++ {0.0} {} {17.CG} 36.10984 0.69504 1.23184 ++ {0.0} {} {} 123.36077 0.33050 0.63632 ++ {0.0} {} 0.0 0.1638 0 {} 0 50 {} 8.42337 0.02543 0.05468 ++ {0.0} {} {12.CG} 27.19876 0.66961 1.16539 ++ {0.0} {} {} 118.01569 0.32318 0.61987 ++ {0.0} {} 0.0 0.1677 0 {} 0 51 {} 8.42325 0.02855 0.05151 ++ {0.0} {} {12.CD} 43.30805 0.85881 1.56069 ++ {0.0} {} {} 118.01758 0.32623 0.60578 ++ {0.0} {} 0.0 0.0961 0 {} 0 52 {} 7.50136 0.01952 0.03803 ++ {0.0} {} {57.CD} 29.08601 0.57140 0.92517 ++ {0.0} {} {} 119.69405 0.31011 0.55971 ++ {0.0} {} 0.0 0.1374 0 {} 0 53 {} 7.50361 0.02482 0.03972 ++ {0.0} {} {57.CG} 24.87684 0.85469 1.26002 ++ {0.0} {} {} 119.69941 0.34226 0.58710 ++ {0.0} {} 0.0 0.0942 0 {} 0 54 {} 7.50121 0.01667 0.02245 ++ {0.0} {} {57.CE} 42.06428 0.92178 1.13013 ++ {0.0} {} {} 119.72366 0.32247 0.44667 ++ {0.0} {} 0.0 0.0436 0 {} 0 55 {} 7.97119 0.02447 0.03730 ++ {0.0} {} {} 23.54086 0.67568 0.97277 ++ {0.0} {} {} 117.67496 0.30443 0.48343 ++ {0.0} {} 0.0 0.0651 -1 {} 0 56 {} 7.97234 0.02213 0.02759 ++ {0.0} {} {54.CD} 40.60413 0.58046 0.75041 ++ {0.0} {} {} 117.64927 0.27528 0.36529 ++ {0.0} {} 0.0 0.0399 0 {} 0 57 {} 7.97119 0.02447 0.03730 ++ {0.0} {} {54.CG} 23.54086 0.67568 0.97277 ++ {0.0} {} {} 117.67496 0.30443 0.48343 ++ {0.0} {} 0.0 0.0651 0 {} 0 58 {} 8.57054 0.01734 0.03368 ++ {0.0} {} {7.CG} 27.20839 0.56167 0.78838 ++ {0.0} {} {} 122.41434 0.31314 0.51167 ++ {0.0} {} 0.0 0.0733 0 {} 0 59 {} 8.56310 0.02135 0.04241 ++ {0.0} {} {7.CD} 43.40549 0.66983 0.98626 ++ {0.0} {} {} 122.39802 0.31667 0.48783 ++ {0.0} {} 0.0 0.0584 0 {} 0 60 {} 8.47421 0.02607 0.07665 ++ {0.0} {} {5.CG} 27.22425 0.64273 0.99436 ++ {0.0} {} {} 110.36012 0.32380 0.56495 ++ {0.0} {} 0.0 0.1051 0 {} 0 61 {} 8.47283 0.02839 0.05201 ++ {0.0} {} {5.CD} 43.43267 0.80478 1.11163 ++ {0.0} {} {} 110.37379 0.33167 0.50508 ++ {0.0} {} 0.0 0.0562 0 {} 0 62 {} 8.50884 0.02799 0.05958 ++ {0.0} {} {4.CG} 27.26584 0.68898 1.06259 ++ {0.0} {} {} 123.40803 0.45443 0.95773 ++ {0.0} {} 0.0 0.1156 0 {} 0 63 {} 8.49975 0.03245 0.06012 ++ {0.0} {} {4.CD} 43.31580 0.69488 1.09271 ++ {0.0} {} {} 123.41243 0.47474 0.87724 ++ {0.0} {} 0.0 0.0732 0 {} 0 64 {} 8.19602 0.02533 0.04416 ++ {0.0} {} {18.CD2} 23.02956 0.64033 1.03190 ++ {0.0} {} {} 119.01376 0.30879 0.55140 ++ {0.0} {} 0.0 0.1251 0 {} 0 65 {} 7.90759 0.02350 0.04408 ++ {0.0} {} {20.CD} 29.84078 0.76041 1.13799 ++ {0.0} {} {} 119.99846 0.31321 0.55171 ++ {0.0} {} 0.0 0.1124 0 {} 0 66 {} 8.62263 0.01603 0.02063 ++ {0.0} {} {3.CG} 26.97502 0.61079 0.76750 ++ {0.0} {} {} 123.69588 0.28191 0.38637 ++ {0.0} {} 0.0 0.0341 0 {} 0 67 {} 8.19724 0.01656 0.01694 ++ {0.0} {} {18.CG} 25.94580 0.60118 0.61777 ++ {0.0} {} {} 119.02877 0.33485 0.34655 ++ {0.0} {} 0.0 0.0222 0 {} 0 68 {} 8.60098 0.01100 0.01285 ++ {0.0} {} {48.CE} 42.14660 0.78565 0.88191 ++ {0.0} {} {} 119.62868 0.24661 0.28035 ++ {0.0} {} 0.0 0.0199 0 {} 0 69 {} 7.74293 0.02540 0.05217 ++ {0.0} {} {16.CD2} 23.51507 0.60091 0.84848 ++ {0.0} {} {} 118.98834 0.31567 0.54782 ++ {0.0} {} 0.0 0.0649 0 {} 0 70 {} 7.74402 0.02505 0.05088 ++ {0.0} {} {16.CD1} 25.19625 0.79094 1.13469 ++ {0.0} {} {} 118.97569 0.31312 0.55525 ++ {0.0} {} 0.0 0.0757 0 {} 0 71 {} 7.74361 0.01975 0.02821 ++ {0.0} {} {16.CG} 27.06947 0.59520 0.80608 ++ {0.0} {} {} 118.97591 0.30534 0.48372 ++ {0.0} {} 0.0 0.0413 0 {} 0 72 {} 8.02177 0.03054 0.04604 ++ {0.0} {} {40.CD2} 22.98232 0.74615 1.06473 ++ {0.0} {} {} 117.35348 0.30142 0.49866 ++ {0.0} {} 0.0 0.0621 0 {} 0 73 {} 8.02036 0.01730 0.03339 ++ {0.0} {} {40.CD1} 26.31748 0.63905 1.02044 ++ {0.0} {} {} 117.34682 0.33303 0.58741 ++ {0.0} {} 0.0 0.0909 0 {} 0 74 {} 8.61998 0.01185 0.01693 ++ {0.0} {} {3.CD} 43.35763 0.68032 0.67514 ++ {0.0} {} {} 123.72621 0.27642 0.27323 ++ {0.0} {} 0.0 0.0170 0 {} 0 75 {} 8.77275 0.02809 0.03347 ++ {0.0} {} {42.CD2} 23.75177 0.62359 0.82758 ++ {0.0} {} {} 109.31553 0.31141 0.43747 ++ {0.0} {} 0.0 0.0451 0 {} 0 76 {} 8.76759 0.02878 0.04826 ++ {0.0} {} {42.CD1} 26.98817 0.79015 1.17729 ++ {0.0} {} {} 130.70782 0.31201 0.51386 ++ {0.0} {} 0.0 0.0760 0 {} 0 77 {} 7.99999 0.02039 0.04843 ++ {0.0} {} {45.CD} 43.39365 0.68739 1.18652 ++ {0.0} {} {} 117.33076 0.28821 0.52467 ++ {0.0} {} 0.0 0.1494 0 {} 0 78 {} 8.00156 0.02467 0.04449 ++ {0.0} {} {45.CG} 27.52401 0.66769 1.07593 ++ {0.0} {} {} 117.32970 0.28978 0.54050 ++ {0.0} {} 0.0 0.1990 0 {} 0 79 {} 7.49605 0.02139 0.04777 ++ {0.0} {} {55.CG} 31.07244 0.84389 1.47227 ++ {0.0} {} {} 118.01773 0.32163 0.59936 ++ {0.0} {} 0.0 0.0805 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 HN . 'not observed' 6300 Hz . . . 4.777 . . 31057 2 2 . . C 13 C-aliphatic . 'not observed' 10500 Hz . . . 46.000 . . 31057 2 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 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 31057 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aliphatic' _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 ; label dataset sw sf H1 C13 AbdA_Chsqc-ali.nv 3540.88305664 9074.21875 599.664978027 150.791000366 H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 0 {37.HB1} 1.47386 0.02053 0.04382 ++ {0.0} {} {37.CB} 17.43145 0.25387 0.45906 ++ {0.0} {} 0.0 2.1176 0 {} 0 1 {39.HB1} 1.60152 0.02303 0.03716 ++ {0.0} {} {39.CB} 18.68901 0.20820 0.39690 ++ {0.0} {} 0.0 2.3608 0 {} 0 2 {56.HE1} 2.11336 0.00980 0.02141 ++ {0.0} {} {56.CE} 16.96324 0.27495 0.48041 ++ {0.0} {} 0.0 -7.4831 0 {} 0 3 {9.HG21} 1.03458 0.01870 0.03487 ++ {0.0} {} {9.CG2} 21.39704 0.26775 0.43433 ++ {0.0} {} 0.0 3.4919 0 {} 0 4 {43.HG21} 1.37251 0.01612 0.02431 ++ {0.0} {} {43.CG2} 22.13538 0.22427 0.39751 ++ {0.0} {} 0.0 2.3032 0 {} 0 5 {15.HG21} 1.32809 0.02146 0.03626 ++ {0.0} {} {15.CG2} 22.22137 0.31138 0.46512 ++ {0.0} {} 0.0 2.9701 0 {} 0 6 {43.HG21} 1.34070 0.01935 0.02980 ++ {0.0} {} {} 21.87931 0.33512 0.48231 ++ {0.0} {} 0.0 2.3021 0 {} 0 7 {} 0.75965 0.01670 0.00349 ++ {0.0} {} {} 28.57511 0.20394 0.03033 ++ {0.0} {} 0.0 -0.0447 0 {} 0 8 {40.HD11} 0.69184 0.02548 0.06125 ++ {0.0} {} {40.CG} 26.99456 0.28555 0.45332 ++ {0.0} {} 0.0 1.0334 0 {} 0 9 {} 0.23112 0.02504 0.06120 ++ {0.0} {} {} 26.66036 0.23287 0.47697 ++ {0.0} {} 0.0 1.1925 0 {} 0 10 {} 0.69212 0.02616 0.07703 ++ {0.0} {} {} 26.31221 0.23282 0.47580 ++ {0.0} {} 0.0 1.1496 0 {} 0 11 {} 0.56661 0.02235 0.05496 ++ {0.0} {} {} 23.75448 0.26533 0.47549 ++ {0.0} {} 0.0 1.6089 0 {} 0 12 {} 0.64626 0.02632 0.02500 ++ {0.0} {} {} 23.35118 0.59922 0.58157 ++ {0.0} {} 0.0 0.0790 0 {} 0 13 {} -0.58635 0.02426 0.06206 ++ {0.0} {} {} 23.01694 0.21416 0.44049 ++ {0.0} {} 0.0 1.4533 0 {} 0 14 {} 0.73462 0.01968 0.04063 ++ {0.0} {} {} 22.96779 0.21918 0.46272 ++ {0.0} {} 0.0 1.8313 0 {} 0 15 {} 0.46475 0.02354 0.06807 ++ {0.0} {} {} 22.93464 0.28034 0.46964 ++ {0.0} {} 0.0 1.8660 0 {} 0 16 {} 3.23318 0.03501 0.07129 ++ {0.0} {} {} 24.84704 0.28032 0.43552 ++ {0.0} {} 0.0 0.3813 0 {} 0 17 {} 3.17038 0.03976 0.08150 ++ {0.0} {} {} 24.84488 0.27642 0.43698 ++ {0.0} {} 0.0 0.4415 0 {} 0 18 {} 3.32769 0.03548 0.03272 ++ {0.0} {} {} 29.05042 0.19825 0.17878 ++ {0.0} {} 0.0 0.0753 0 {} 0 19 {} 3.32673 0.03725 0.03910 ++ {0.0} {} {} 29.49489 0.26542 0.27983 ++ {0.0} {} 0.0 0.0865 0 {} 0 20 {} 3.20889 0.03286 0.03660 ++ {0.0} {} {} 29.02299 0.15369 0.37044 ++ {0.0} {} 0.0 0.0972 0 {} 0 21 {} 3.20880 0.03291 0.03513 ++ {0.0} {} {} 29.44123 0.08191 0.19450 ++ {0.0} {} 0.0 0.0899 0 {} 0 22 {} 2.80644 0.04112 0.06791 ++ {0.0} {} {} 32.12847 0.26470 0.43812 ++ {0.0} {} 0.0 0.3466 0 {} 0 23 {} 2.65181 0.02895 0.04276 ++ {0.0} {} {} 31.58187 0.14773 0.22679 ++ {0.0} {} 0.0 0.1780 0 {} 0 24 {} 2.66210 0.03897 0.06497 ++ {0.0} {} {} 32.12158 0.26292 0.42089 ++ {0.0} {} 0.0 0.3665 0 {} 0 25 {} 2.29547 0.03616 0.08150 ++ {0.0} {} {} 33.70218 0.35779 0.51587 ++ {0.0} {} 0.0 0.2460 0 {} 0 26 {} 2.35921 0.04425 0.07506 ++ {0.0} {} {} 33.83735 0.58739 0.74907 ++ {0.0} {} 0.0 0.2236 0 {} 0 27 {} 2.33910 0.04360 0.06718 ++ {0.0} {} {} 36.27439 0.19645 0.57301 ++ {0.0} {} 0.0 0.2434 0 {} 0 28 {18.HD11} 2.26995 0.04798 0.09356 ++ {0.0} {} {18.CD1} 36.24477 0.27527 0.39324 ++ {0.0} {} 0.0 0.3991 0 {} 0 29 {} 2.15851 0.04341 0.08870 ++ {0.0} {} {} 36.68072 0.22720 0.40530 ++ {0.0} {} 0.0 0.2731 0 {} 0 30 {} 2.05930 0.03766 0.04424 ++ {0.0} {} {} 37.83879 0.38990 0.44144 ++ {0.0} {} 0.0 0.1069 0 {} 0 31 {} 1.76586 0.04018 0.07329 ++ {0.0} {} {} 37.92492 0.26471 0.45267 ++ {0.0} {} 0.0 0.3985 0 {} 0 32 {} 2.34656 0.03244 0.04073 ++ {0.0} {} {} 38.06553 0.55352 0.63600 ++ {0.0} {} 0.0 0.1135 0 {} 0 33 {I49.HG21} 1.02597 0.02199 0.04378 ++ {0.0} {} {I49.CG2} 17.36779 0.22278 0.49021 ++ {0.0} {} 0.0 3.2938 0 {} 0 34 {I47.HG21} 0.98611 0.02288 0.04871 ++ {0.0} {} {I47.CG2} 19.23065 0.28651 0.50453 ++ {0.0} {} 0.0 2.1427 0 {} 0 35 {} 1.05429 0.01825 0.03390 ++ {0.0} {} {} 20.14003 0.19206 0.42360 ++ {0.0} {} 0.0 1.2232 0 {} 0 36 {I47.HD11} 0.75562 0.02669 0.06102 ++ {0.0} {} {I47.CD1} 13.00655 0.21459 0.44180 ++ {0.0} {} 0.0 1.9082 0 {} 0 37 {I36.HD11} 0.76132 0.02581 0.06140 ++ {0.0} {} {I36.CD1} 14.35382 0.27802 0.46649 ++ {0.0} {} 0.0 1.8812 0 {} 0 38 {I34.HD11} 0.83895 0.02616 0.05228 ++ {0.0} {} {I34.CD1} 13.71679 0.20190 0.43078 ++ {0.0} {} 0.0 1.9033 0 {} 0 39 {I49.HD11} 0.88522 0.02397 0.05345 ++ {0.0} {} {I49.CD1} 13.02943 0.27779 0.50509 ++ {0.0} {} 0.0 2.4960 0 {} 0 40 {I34.HG21} 0.85767 0.02067 0.05584 ++ {0.0} {} {I34.CG2} 17.30692 0.23541 0.47062 ++ {0.0} {} 0.0 3.0835 0 {} 0 41 {I36.HG21} 0.88107 0.01516 0.04099 ++ {0.0} {} {I36.CG2} 18.09448 0.21786 0.48216 ++ {0.0} {} 0.0 2.7577 0 {} 0 42 {} 3.56727 0.03912 0.04934 ++ {0.0} {} {} 58.45448 0.26779 0.38256 ++ {0.0} {} 0.0 0.1257 0 {} 0 43 {} 3.54506 0.03946 0.05158 ++ {0.0} {} {} 59.06968 0.12618 0.36465 ++ {0.0} {} 0.0 0.1391 0 {} 0 44 {} 3.39457 0.04151 0.04725 ++ {0.0} {} {} 56.21880 0.12452 0.31791 ++ {0.0} {} 0.0 0.1026 0 {} 0 45 {} 2.06342 0.02087 0.03293 ++ {0.0} {} {} 49.74590 0.17538 0.55655 ++ {0.0} {} 0.0 0.3696 0 {} 0 46 {} 1.91734 0.04742 0.04956 ++ {0.0} {} {} 40.54096 0.26120 0.27304 ++ {0.0} {} 0.0 0.0877 0 {} 0 47 {} 1.89257 0.04618 0.09404 ++ {0.0} {} {} 38.26942 0.25165 0.43814 ++ {0.0} {} 0.0 0.3479 0 {} 0 48 {} 1.96387 0.04313 0.07110 ++ {0.0} {} {} 38.28270 0.27703 0.45001 ++ {0.0} {} 0.0 0.3183 0 {} 0 49 {} 1.98770 0.03005 0.04008 ++ {0.0} {} {} 38.64932 0.28617 0.39620 ++ {0.0} {} 0.0 0.1701 0 {} 0 50 {} 2.57816 0.04662 0.05603 ++ {0.0} {} {} 36.31672 0.42882 0.48820 ++ {0.0} {} 0.0 0.1050 0 {} 0 51 {} 4.68117 0.03442 0.04206 ++ {0.0} {} {} 53.17469 0.48527 0.56063 ++ {0.0} {} 0.0 0.1115 0 {} 0 52 {} 4.60618 0.03264 0.04237 ++ {0.0} {} {} 53.32206 0.16434 0.43934 ++ {0.0} {} 0.0 0.1398 0 {} 0 53 {} 4.55834 0.04449 0.05847 ++ {0.0} {} {} 54.07280 0.12708 0.38706 ++ {0.0} {} 0.0 0.1550 0 {} 0 54 {} 4.64001 0.03294 0.05604 ++ {0.0} {} {} 60.53906 0.42168 0.88196 ++ {0.0} {} 0.0 0.2219 0 {} 0 55 {} 4.48469 0.03088 0.04493 ++ {0.0} {} {} 58.63638 0.12184 0.37224 ++ {0.0} {} 0.0 0.1699 0 {} 0 56 {} 4.48259 0.02296 0.03443 ++ {0.0} {} {} 60.84581 0.15566 0.42821 ++ {0.0} {} 0.0 0.1440 0 {} 0 57 {} 4.45402 0.03484 0.05107 ++ {0.0} {} {} 59.55008 0.12793 0.38342 ++ {0.0} {} 0.0 0.1608 0 {} 0 58 {} 4.41411 0.04022 0.05576 ++ {0.0} {} {} 60.42534 0.14389 0.43747 ++ {0.0} {} 0.0 0.1820 0 {} 0 59 {} 4.39585 0.01949 0.02938 ++ {0.0} {} {} 61.81673 0.13332 0.40816 ++ {0.0} {} 0.0 0.1920 0 {} 0 60 {} 4.27219 0.03658 0.03711 ++ {0.0} {} {} 54.61380 0.49385 0.49860 ++ {0.0} {} 0.0 0.0842 0 {} 0 61 {} 4.02953 0.02326 0.03441 ++ {0.0} {} {} 55.93015 0.17255 0.50286 ++ {0.0} {} 0.0 0.1843 0 {} 0 62 {} 3.99033 0.02409 0.04294 ++ {0.0} {} {} 56.15783 0.14425 0.47132 ++ {0.0} {} 0.0 0.3020 0 {} 0 63 {} 3.96025 0.02556 0.04856 ++ {0.0} {} {} 55.58536 0.17778 0.54415 ++ {0.0} {} 0.0 0.2520 0 {} 0 64 {} 3.83754 0.03471 0.04494 ++ {0.0} {} {} 60.42513 0.14379 0.39720 ++ {0.0} {} 0.0 0.1297 0 {} 0 65 {} 3.82364 0.03456 0.04210 ++ {0.0} {} {} 63.44825 0.49597 0.55914 ++ {0.0} {} 0.0 0.1095 0 {} 0 66 {} 3.54436 0.03141 0.04551 ++ {0.0} {} {} 65.59522 0.27527 0.39324 ++ {0.0} {} 0.0 0.1771 0 {} 0 67 {} 3.67984 0.01125 0.01854 ++ {0.0} {} {} 62.26652 0.15840 0.44988 ++ {0.0} {} 0.0 0.1875 0 {} 0 68 {} 2.51771 0.03950 0.05643 ++ {0.0} {} {} 33.58714 0.13198 0.39141 ++ {0.0} {} 0.0 0.1552 0 {} 0 69 {} 2.46991 0.04430 0.06329 ++ {0.0} {} {} 33.88596 0.27035 0.38622 ++ {0.0} {} 0.0 0.1663 0 {} 0 70 {15.HA} 3.41488 0.03420 0.04332 ++ {0.0} {} {15.CA} 67.30423 0.24514 0.33336 ++ {0.0} {} 0.0 0.1298 0 {} 0 71 {} 3.92372 0.03140 0.04129 ++ {0.0} {} {} 63.25377 0.19975 0.54237 ++ {0.0} {} 0.0 0.1213 0 {} 0 72 {} 3.92869 0.03195 0.04023 ++ {0.0} {} {} 64.15722 0.53102 0.62901 ++ {0.0} {} 0.0 0.1422 0 {} 0 73 {} 3.88550 0.01434 0.04748 ++ {0.0} {} {} 64.55389 0.14868 0.47053 ++ {0.0} {} 0.0 0.2158 0 {} 0 74 {} 3.85437 0.03206 0.05154 ++ {0.0} {} {} 64.28545 0.27527 0.39324 ++ {0.0} {} 0.0 0.2155 0 {} 0 75 {} 3.74555 0.03017 0.04484 ++ {0.0} {} {} 56.21916 0.15203 0.49500 ++ {0.0} {} 0.0 0.2364 0 {} 0 76 {} 4.00663 0.02237 0.03098 ++ {0.0} {} {} 57.21024 0.50382 0.63560 ++ {0.0} {} 0.0 0.1540 0 {} 0 77 {} 3.52475 0.05462 0.09247 ++ {0.0} {} {} 43.83337 0.20275 0.27461 ++ {0.0} {} 0.0 0.1367 0 {} 0 78 {} 3.30876 0.01647 0.02516 ++ {0.0} {} {} 43.21281 0.19196 0.32976 ++ {0.0} {} 0.0 0.2689 0 {} 0 79 {} 3.32493 0.07703 0.09381 ++ {0.0} {} {} 43.80413 0.20093 0.28379 ++ {0.0} {} 0.0 0.1820 0 {} 0 80 {} 3.86418 0.03758 0.05453 ++ {0.0} {} {} 58.49881 0.10610 0.35200 ++ {0.0} {} 0.0 0.1684 0 {} 0 81 {} 3.78075 0.02209 0.04278 ++ {0.0} {} {} 57.05944 0.12121 0.50991 ++ {0.0} {} 0.0 1.4269 0 {} 0 82 {} 3.60000 0.01527 0.02491 ++ {0.0} {} {} 63.11746 0.12496 0.41308 ++ {0.0} {} 0.0 0.2390 0 {} 0 83 {} 3.92239 0.03657 0.03715 ++ {0.0} {} {} 60.03188 0.37924 0.38764 ++ {0.0} {} 0.0 0.0848 0 {} 0 84 {} 3.94535 0.03199 0.06043 ++ {0.0} {} {} 59.13567 0.61657 1.02053 ++ {0.0} {} 0.0 0.2987 0 {} 0 85 {} 4.06820 0.01736 0.06157 ++ {0.0} {} {} 59.54058 0.53166 0.82298 ++ {0.0} {} 0.0 0.3317 0 {} 0 86 {} 4.02904 0.03950 0.05643 ++ {0.0} {} {} 59.68583 0.61629 0.89468 ++ {0.0} {} 0.0 0.3229 0 {} 0 87 {} 3.97280 0.03563 0.05050 ++ {0.0} {} {} 58.14937 0.61540 0.75335 ++ {0.0} {} 0.0 0.1819 0 {} 0 88 {} 4.00500 0.02164 0.03584 ++ {0.0} {} {} 58.73305 0.10673 0.40470 ++ {0.0} {} 0.0 0.3285 0 {} 0 89 {} 4.17850 0.02957 0.04621 ++ {0.0} {} {} 54.91960 0.11004 0.37501 ++ {0.0} {} 0.0 0.2039 0 {} 0 90 {} 3.57154 0.06090 0.10812 ++ {0.0} {} {} 42.90435 0.18151 0.26625 ++ {0.0} {} 0.0 0.1576 0 {} 0 91 {} 4.73873 0.02862 0.03096 ++ {0.0} {} {} 70.84987 0.36474 0.40983 ++ {0.0} {} 0.0 0.1012 0 {} 0 92 {} 4.19773 0.01962 0.03401 ++ {0.0} {} {} 63.37445 0.10758 0.39942 ++ {0.0} {} 0.0 0.2805 0 {} 0 93 {} 4.19674 0.02400 0.03954 ++ {0.0} {} {} 63.75119 0.09238 0.35998 ++ {0.0} {} 0.0 0.2758 0 {} 0 94 {} 4.25710 0.02948 0.04894 ++ {0.0} {} {} 62.13716 0.17839 0.54339 ++ {0.0} {} 0.0 0.2447 0 {} 0 95 {} 4.25485 0.03578 0.05020 ++ {0.0} {} {} 61.16980 0.36380 0.49057 ++ {0.0} {} 0.0 0.1629 0 {} 0 96 {} 3.72222 0.03383 0.04554 ++ {0.0} {} {} 60.59477 0.15512 0.43904 ++ {0.0} {} 0.0 0.1546 0 {} 0 97 {} 3.70824 0.03630 0.06213 ++ {0.0} {} {} 61.08046 0.14651 0.48765 ++ {0.0} {} 0.0 0.2161 0 {} 0 98 {} 4.95493 0.03620 0.05159 ++ {0.0} {} {} 56.60832 0.49841 0.62125 ++ {0.0} {} 0.0 0.1488 0 {} 0 99 {} 4.95354 0.03472 0.04491 ++ {0.0} {} {} 52.81686 0.14407 0.39103 ++ {0.0} {} 0.0 0.1345 0 {} 0 100 {} 1.75944 0.04264 0.04809 ++ {0.0} {} {} 24.84695 0.31718 0.36076 ++ {0.0} {} 0.0 0.1021 0 {} 0 101 {} 1.06108 0.02335 0.03279 ++ {0.0} {} {} 12.90474 0.26299 0.36995 ++ {0.0} {} 0.0 0.1739 -1 {} 0 102 {} 1.10322 0.01751 0.02490 ++ {0.0} {} {} 16.51412 0.27647 0.37878 ++ {0.0} {} 0.0 0.1670 0 {} 0 103 {} 0.92308 0.02385 0.04178 ++ {0.0} {} {} 25.33466 0.26218 0.47432 ++ {0.0} {} 0.0 5.2157 0 {} 0 104 {} 0.91603 0.01531 0.03039 ++ {0.0} {} {} 24.66091 0.21296 0.46021 ++ {0.0} {} 0.0 2.3498 0 {} 0 105 {} 0.95182 0.01919 0.03659 ++ {0.0} {} {} 25.02895 0.17125 0.37156 ++ {0.0} {} 0.0 3.0854 0 {} 0 106 {} 1.12101 0.04697 0.08133 ++ {0.0} {} {} 25.81513 0.29758 0.42568 ++ {0.0} {} 0.0 0.2239 0 {} 0 107 {} 1.37134 0.02076 0.03043 ++ {0.0} {} {} 19.92562 0.27828 0.38512 ++ {0.0} {} 0.0 0.1597 0 {} 0 108 {} 1.39384 0.01577 0.03162 ++ {0.0} {} {} 21.79174 0.19324 0.43416 ++ {0.0} {} 0.0 2.1588 0 {} 0 109 {} 1.21058 0.02115 0.03920 ++ {0.0} {} {} 22.10956 0.27774 0.47079 ++ {0.0} {} 0.0 2.0264 0 {} 0 110 {} 1.23300 0.02156 0.04557 ++ {0.0} {} {} 21.63610 0.27432 0.46145 ++ {0.0} {} 0.0 1.3692 0 {} 0 111 {} 1.06908 0.01809 0.03577 ++ {0.0} {} {} 22.13749 0.23903 0.48156 ++ {0.0} {} 0.0 0.6051 0 {} 0 112 {} 0.92795 0.01742 0.04226 ++ {0.0} {} {} 23.77043 0.27559 0.45276 ++ {0.0} {} 0.0 1.6801 0 {} 0 113 {} 0.88910 0.01832 0.04577 ++ {0.0} {} {} 23.65464 0.40106 0.65540 ++ {0.0} {} 0.0 4.5576 0 {} 0 114 {} 4.24423 0.05050 0.07690 ++ {0.0} {} {} 59.01901 0.45249 0.78246 ++ {0.0} {} 0.0 0.2431 0 {} 0 115 {} 1.95723 0.04107 0.05157 ++ {0.0} {} {} 26.85717 0.38930 0.53080 ++ {0.0} {} 0.0 0.1591 0 {} 0 116 {} 2.88623 0.04199 0.07769 ++ {0.0} {} {} 40.85143 0.12398 0.43155 ++ {0.0} {} 0.0 0.1948 0 {} 0 117 {} -0.30620 0.06549 0.07163 ++ {0.0} {} {} 28.30469 0.29119 0.31117 ++ {0.0} {} 0.0 -0.0589 0 {} 0 118 {} 0.69411 0.05089 0.06151 ++ {0.0} {} {} 28.30142 0.31662 0.35380 ++ {0.0} {} 0.0 -0.0802 0 {} 0 119 {} 0.49483 0.05977 0.06782 ++ {0.0} {} {} 37.63794 0.21655 0.25681 ++ {0.0} {} 0.0 -0.0813 0 {} 0 120 {} -0.28677 0.02238 0.04023 ++ {0.0} {} {} 23.51905 0.29219 0.21245 ++ {0.0} {} 0.0 -0.0509 0 {} 0 121 {} 1.64862 0.05217 0.05985 ++ {0.0} {} {} 47.49583 0.29555 0.33418 ++ {0.0} {} 0.0 -0.0806 0 {} 0 122 {} 1.34810 0.05527 0.06818 ++ {0.0} {} {} 47.49289 0.27671 0.33102 ++ {0.0} {} 0.0 -0.0922 0 {} 0 123 {} 1.25826 0.04620 0.05943 ++ {0.0} {} {} 44.50703 0.27608 0.34268 ++ {0.0} {} 0.0 -0.1008 0 {} 0 124 {} 1.52903 0.04800 0.06156 ++ {0.0} {} {} 44.50539 0.28215 0.35483 ++ {0.0} {} 0.0 -0.1060 0 {} 0 125 {} 2.21252 0.03179 0.04174 ++ {0.0} {} {} 47.15824 0.13101 0.37403 ++ {0.0} {} 0.0 -0.1153 0 {} 0 126 {} 3.21129 0.01910 0.03404 ++ {0.0} {} {} 49.26192 0.28403 0.48075 ++ {0.0} {} 0.0 -0.6968 0 {} 0 127 {} 3.06613 0.01299 0.01952 ++ {0.0} {} {} 49.24355 0.27362 0.38193 ++ {0.0} {} 0.0 -0.1314 0 {} 0 128 {} 3.06680 0.02992 0.04186 ++ {0.0} {} {} 55.24698 0.25652 0.46918 ++ {0.0} {} 0.0 -0.6162 0 {} 0 129 {} 2.85679 0.02259 0.04874 ++ {0.0} {} {} 54.92923 0.18657 0.42158 ++ {0.0} {} 0.0 -1.9103 0 {} 0 130 {} 1.89677 0.04576 0.06982 ++ {0.0} {} {} 41.80720 0.22140 0.40338 ++ {0.0} {} 0.0 -0.2353 0 {} 0 131 {} 1.48991 0.04958 0.07619 ++ {0.0} {} {} 41.80650 0.21705 0.40004 ++ {0.0} {} 0.0 -0.2369 0 {} 0 132 {} 1.54013 0.05666 0.07178 ++ {0.0} {} {} 42.64845 0.26926 0.36052 ++ {0.0} {} 0.0 -0.0918 0 {} 0 133 {} 1.61267 0.03353 0.09307 ++ {0.0} {} {} 43.46176 0.23722 0.49484 ++ {0.0} {} 0.0 -1.5635 0 {} 0 134 {} 1.70938 0.04042 0.08588 ++ {0.0} {} {} 42.23805 0.30284 0.48779 ++ {0.0} {} 0.0 -0.4736 0 {} 0 135 {} 1.70938 0.04042 0.08588 ++ {0.0} {} {} 42.23805 0.30284 0.48779 ++ {0.0} {} 0.0 -0.4736 0 {} 0 136 {} 2.63622 0.06115 0.07006 ++ {0.0} {} {} 27.82486 0.29640 0.32473 ++ {0.0} {} 0.0 -0.0774 0 {} 0 137 {} 2.63468 0.06024 0.06612 ++ {0.0} {} {} 29.39678 0.21698 0.25397 ++ {0.0} {} 0.0 -0.0798 0 {} 0 138 {} 1.14210 0.04920 0.08974 ++ {0.0} {} {} 28.56513 0.21835 0.38411 ++ {0.0} {} 0.0 -0.2355 0 {} 0 139 {} 1.06043 0.04901 0.08308 ++ {0.0} {} {} 29.60131 0.27968 0.40859 ++ {0.0} {} 0.0 -0.1927 0 {} 0 140 {} 4.26733 0.03109 0.05969 ++ {0.0} {} {} 68.75729 0.21328 0.40519 ++ {0.0} {} 0.0 -0.3466 0 {} 0 141 {} 4.32100 0.04069 0.06028 ++ {0.0} {} {} 68.72820 0.24639 0.41946 ++ {0.0} {} 0.0 -0.2081 0 {} 0 142 {} 4.27326 0.02902 0.05093 ++ {0.0} {} {} 70.54890 0.19766 0.39949 ++ {0.0} {} 0.0 -0.5156 0 {} 0 143 {} 4.19798 0.03166 0.05695 ++ {0.0} {} {} 70.00888 0.26600 0.42705 ++ {0.0} {} 0.0 -0.3737 0 {} 0 144 {} 4.04414 0.03392 0.07286 ++ {0.0} {} {} 70.14191 0.25217 0.46624 ++ {0.0} {} 0.0 -0.7794 0 {} 0 145 {} 3.83771 0.02011 0.04020 ++ {0.0} {} {} 68.13787 0.21340 0.46590 ++ {0.0} {} 0.0 -2.2528 0 {} 0 146 {} 4.68050 0.03110 0.05702 ++ {0.0} {} {} 70.91647 0.22935 0.44091 ++ {0.0} {} 0.0 -0.2857 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-aliphatic . 'not observed' 6300 Hz . . . 4.777 . . 31057 3 2 . . C 13 C-aliphatic . 'not observed' 9074 Hz . . . 42.000 . . 31057 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 31057 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aromatic' _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 ; label dataset sw sf H1 C13 AbdA_Chsqc-aro.nv 1442.32873535 4078.125 599.664978027 150.789993286 H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 0 {} 8.02970 0.02297 0.03590 ++ {0.0} {} {} 138.53471 0.18065 0.27163 ++ {0.0} {} 0.0 0.2413 0 {} 0 1 {} 8.25178 0.02428 0.04642 ++ {0.0} {} {} 137.45650 0.17246 0.38195 ++ {0.0} {} 0.0 1.1631 0 {} 0 2 {} 8.18762 0.02417 0.04758 ++ {0.0} {} {} 137.47086 0.19573 0.38187 ++ {0.0} {} 0.0 0.9577 0 {} 0 3 {} 8.21117 0.02511 0.04246 ++ {0.0} {} {} 136.27765 0.15775 0.28279 ++ {0.0} {} 0.0 0.4196 0 {} 0 4 {27.HD1} 7.20369 0.03060 0.05910 ++ {0.0} {} {27.CD1} 133.58470 0.15234 0.32157 ++ {0.0} {} 0.0 0.7807 0 {} 0 5 {10.HD1} 7.05494 0.02946 0.06139 ++ {0.0} {} {10.CD1} 133.37781 0.16871 0.37228 ++ {0.0} {} 0.0 1.0467 0 {} 0 6 {} 6.75381 0.01269 0.00565 ++ {0.0} {} {} 133.36449 0.16584 0.07361 ++ {0.0} {} 0.0 0.0828 0 {} 0 7 {} 7.34526 0.01964 0.00280 ++ {0.0} {} {} 132.78575 0.30086 0.05409 ++ {0.0} {} 0.0 0.0689 0 {} 0 8 {51.HE1} 7.61509 0.03436 0.03128 ++ {0.0} {} {51.CE1} 132.34508 0.24522 0.21538 ++ {0.0} {} 0.0 0.1144 0 {} 0 9 {22.HD1} 6.96401 0.03292 0.05164 ++ {0.0} {} {22.CD1} 132.35793 0.18083 0.30631 ++ {0.0} {} 0.0 0.2951 0 {} 0 10 {13.HD1} 7.24544 0.02007 0.02947 ++ {0.0} {} {13.CD1} 131.82808 0.20344 0.34327 ++ {0.0} {} 0.0 0.3516 0 {} 0 11 {13.HE1} 7.33744 0.01740 0.02186 ++ {0.0} {} {13.CE1} 132.14127 0.10322 0.14584 ++ {0.0} {} 0.0 0.2194 0 {} 0 12 {51.HD1} 7.80764 0.03089 0.03097 ++ {0.0} {} {51.CD1} 131.73857 0.17653 0.17720 ++ {0.0} {} 0.0 0.1293 0 {} 0 13 {} 7.41923 0.01005 0.00771 ++ {0.0} {} {} 132.14978 0.13578 0.10412 ++ {0.0} {} 0.0 0.1045 0 {} 0 14 {24.HD1} 7.41088 0.01917 0.02446 ++ {0.0} {} {24.CD1} 131.49315 0.12843 0.18646 ++ {0.0} {} 0.0 0.2350 0 {} 0 15 {22.HE1} 6.93799 0.03699 0.05004 ++ {0.0} {} {22.CE1} 130.62657 0.14504 0.19557 ++ {0.0} {} 0.0 0.1977 0 {} 0 16 {} 7.35276 0.02747 0.02030 ++ {0.0} {} {} 129.82684 0.11073 0.06978 ++ {0.0} {} 0.0 0.0940 0 {} 0 17 {22.HZ} 6.34840 0.03554 0.03942 ++ {0.0} {} {22.CZ} 127.92664 0.17190 0.19222 ++ {0.0} {} 0.0 0.1461 0 {} 0 18 {50.HH2} 6.44755 0.03621 0.03764 ++ {0.0} {} {50.CH2} 123.46667 0.15509 0.16314 ++ {0.0} {} 0.0 0.1359 0 {} 0 19 {} 7.42417 0.00881 0.00660 ++ {0.0} {} {} 122.30256 0.17103 0.12813 ++ {0.0} {} 0.0 0.1030 0 {} 0 20 {50.HE3} 6.81166 0.03196 0.01336 ++ {0.0} {} {50.CE3} 121.60066 0.23165 0.06743 ++ {0.0} {} 0.0 0.0754 0 {} 0 21 {} 6.82541 0.03743 0.02726 ++ {0.0} {} {} 120.56769 0.11534 0.06314 ++ {0.0} {} 0.0 0.0887 0 {} 0 22 {} 6.90568 0.02001 0.03190 ++ {0.0} {} {} 118.62292 0.14525 0.25377 ++ {0.0} {} 0.0 0.5093 0 {} 0 23 {10.HE1} 6.75388 0.02591 0.04688 ++ {0.0} {} {10.CE1} 117.99899 0.18219 0.36946 ++ {0.0} {} 0.0 1.5119 0 {} 0 24 {27.HE1} 6.87091 0.02325 0.04211 ++ {0.0} {} {27.CE1} 117.91302 0.15366 0.31966 ++ {0.0} {} 0.0 0.7633 0 {} 0 25 {} 7.54942 0.02303 0.01911 ++ {0.0} {} {} 114.72199 0.15001 0.11571 ++ {0.0} {} 0.0 0.1048 -1 {} 0 26 {50.HZ2} 7.19288 0.02964 0.04713 ++ {0.0} {} {50.CZ2} 114.26563 0.17854 0.32109 ++ {0.0} {} 0.0 0.3879 0 {} 0 27 {26.HD2} 6.68120 0.03803 0.05412 ++ {0.0} {} {26.CD2} 119.73859 0.16976 0.28381 ++ {0.0} {} 0.0 -0.2595 0 {} 0 28 {23.HD2} 6.82627 0.02721 0.04733 ++ {0.0} {} {23.CD2} 120.29485 0.12733 0.22407 ++ {0.0} {} 0.0 -0.4289 0 {} 0 29 {38.HD2} 7.28784 0.02429 0.04466 ++ {0.0} {} {38.CD2} 119.79067 0.14682 0.29378 ++ {0.0} {} 0.0 -0.5676 0 {} 0 30 {50.HD1} 6.09216 0.03006 0.05325 ++ {0.0} {} {50.CD1} 126.99517 0.19188 0.36125 ++ {0.0} {} 0.0 -0.3425 0 {} 0 31 {50.HZ3} 5.69974 0.04113 0.04772 ++ {0.0} {} {50.CZ3} 120.77827 0.13338 0.15835 ++ {0.0} {} 0.0 0.0519 0 {} 0 32 {51.HZ} 7.25282 0.02314 0.02636 ++ {0.0} {} {51.CZ} 129.40996 0.14458 0.16382 ++ {0.0} {} 0.0 0.0609 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-aromatic . 'not observed' 6300 Hz . . . 4.777 . . 31057 4 2 . . C 13 C-aromatic . 'not observed' 4078 Hz . . . 125.000 . . 31057 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 16 _Spectral_peak_list.Experiment_name '3D H(CCO)NH' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN H1 N15 AbdA_hcconh.nv 2580.9921875 6300.0 1300.01000977 599.664978027 599.664978027 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U H1.L H1.P H1.W H1.B H1.E H1.J H1.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {} 8.76686 0.03448 0.04768 ++ {0.0} {} {42.HA} 4.97638 0.06944 0.10749 ++ {0.0} {} {} 109.32677 0.30758 0.48807 ++ {0.0} {} 0.0 0.0867 0 {} 0 1 {} 8.76529 0.02040 0.03928 ++ {0.0} {} {} 1.66632 0.08450 0.11876 ++ {0.0} {} {} 109.33073 0.30743 0.47170 ++ {0.0} {} 0.0 0.0769 0 {} 0 2 {} 8.76879 0.03248 0.04005 ++ {0.0} {} {42.HB3} 1.36795 0.07259 0.09610 ++ {0.0} {} {} 109.33047 0.33753 0.47005 ++ {0.0} {} 0.0 0.0589 0 {} 0 3 {} 8.76686 0.02360 0.03907 ++ {0.0} {} {42.HD21} 0.94876 0.04390 0.06872 ++ {0.0} {} {} 109.32505 0.30963 0.46742 ++ {0.0} {} 0.0 0.0730 0 {} 0 4 {} 8.76891 0.03022 0.04256 ++ {0.0} {} {42.HD11} 0.71173 0.06313 0.09015 ++ {0.0} {} {} 109.31963 0.31032 0.48544 ++ {0.0} {} 0.0 0.0822 0 {} 0 5 {} 8.03183 0.02079 0.05100 ++ {0.0} {} {37.HB1} 1.49317 0.06106 0.10929 ++ {0.0} {} {} 114.31057 0.30511 0.58890 ++ {0.0} {} 0.0 0.5124 0 {} 0 6 {} 8.03262 0.01823 0.01833 ++ {0.0} {} {37.HA} 3.79112 0.06230 0.06258 ++ {0.0} {} {} 114.32568 0.31464 0.31660 ++ {0.0} {} 0.0 0.0360 0 {} 0 7 {} 8.40719 0.02830 0.06303 ++ {0.0} {} {39.HB1} 1.62025 0.05993 0.11263 ++ {0.0} {} {} 112.99314 0.31447 0.61716 ++ {0.0} {} 0.0 0.4890 0 {} 0 8 {} 7.37147 0.02582 0.05488 ++ {0.0} {} {56.HA} 4.28473 0.06446 0.11816 ++ {0.0} {} {} 118.33069 0.28869 0.55846 ++ {0.0} {} 0.0 0.2798 0 {} 0 9 {} 7.37127 0.02569 0.05821 ++ {0.0} {} {56.HG2} 2.82773 0.07169 0.13289 ++ {0.0} {} {} 118.33179 0.29949 0.57743 ++ {0.0} {} 0.0 0.2548 0 {} 0 10 {} 7.37096 0.02598 0.05797 ++ {0.0} {} {56.HG3} 2.68198 0.07064 0.12867 ++ {0.0} {} {} 118.33002 0.29647 0.57185 ++ {0.0} {} 0.0 0.2577 0 {} 0 11 {} 8.65384 0.02572 0.03619 ++ {0.0} {} {25.HA} 4.62979 0.06127 0.08349 ++ {0.0} {} {} 119.53993 0.30148 0.44053 ++ {0.0} {} 0.0 0.0340 0 {} 0 12 {} 8.65059 0.03017 0.06972 ++ {0.0} {} {25.HB3} 2.90587 0.07670 0.12346 ++ {0.0} {} {} 119.42184 0.33626 0.62428 ++ {0.0} {} 0.0 0.1278 0 {} 0 13 {} 8.17187 0.02861 0.02893 ++ {0.0} {} {9.HG21} 1.05121 0.04847 0.04920 ++ {0.0} {} {} 120.68169 0.31970 0.32500 ++ {0.0} {} 0.0 0.2034 0 {} 0 14 {} 8.16907 0.02639 0.02300 ++ {0.0} {} {9.HA} 4.27407 0.05389 0.04619 ++ {0.0} {} {} 120.68502 0.32659 0.27374 ++ {0.0} {} 0.0 0.1102 0 {} 0 15 {} 8.17154 0.02895 0.04130 ++ {0.0} {} {9.HB} 4.06501 0.05525 0.08170 ++ {0.0} {} {} 120.68661 0.32176 0.48643 ++ {0.0} {} 0.0 0.2622 0 {} 0 16 {} 9.09275 0.01373 0.01382 ++ {0.0} {} {11.HG21} 1.41433 0.04849 0.04879 ++ {0.0} {} {} 123.35078 0.29460 0.29637 ++ {0.0} {} 0.0 0.0184 0 {} 0 17 {} 9.09345 0.02853 0.05403 ++ {0.0} {} {11.HB} 4.89939 0.06044 0.08056 ++ {0.0} {} {} 123.35348 0.31177 0.47259 ++ {0.0} {} 0.0 0.0379 0 {} 0 18 {} 9.09501 0.00871 0.02179 ++ {0.0} {} {11.HA} 4.50780 0.04957 0.05846 ++ {0.0} {} {} 123.30713 0.21613 0.27169 ++ {0.0} {} 0.0 0.0197 0 {} 0 19 {} 8.23823 0.02523 0.05172 ++ {0.0} {} {15.HG21} 1.34550 0.05671 0.10785 ++ {0.0} {} {} 121.01517 0.30900 0.59104 ++ {0.0} {} 0.0 0.2101 0 {} 0 20 {} 8.23828 0.02189 0.05698 ++ {0.0} {} {15.HA} 3.43844 0.05689 0.10954 ++ {0.0} {} {} 121.01327 0.30924 0.58397 ++ {0.0} {} 0.0 0.1643 0 {} 0 21 {} 8.23822 0.01599 0.02709 ++ {0.0} {} {15.HB} 4.33052 0.05443 0.08446 ++ {0.0} {} {} 121.02490 0.27518 0.45204 ++ {0.0} {} 0.0 0.0513 0 {} 0 22 {} 8.23822 0.01599 0.02709 ++ {0.0} {} {} 4.33052 0.05443 0.08446 ++ {0.0} {} {} 121.02490 0.27518 0.45204 ++ {0.0} {} 0.0 0.0513 -1 {} 0 23 {} 9.15305 0.02102 0.03971 ++ {0.0} {} {43.HG21} 1.35972 0.04348 0.08494 ++ {0.0} {} {} 120.60480 0.32242 0.55796 ++ {0.0} {} 0.0 0.0544 0 {} 0 24 {} 9.15250 0.02327 0.05240 ++ {0.0} {} {43.HA} 4.65968 0.06095 0.09897 ++ {0.0} {} {} 120.61919 0.27840 0.46734 ++ {0.0} {} 0.0 0.0456 0 {} 0 25 {} 9.14873 0.02479 0.04981 ++ {0.0} {} {43.HB} 4.80538 0.06178 0.10698 ++ {0.0} {} {} 120.61425 0.32065 0.58609 ++ {0.0} {} 0.0 0.0852 0 {} 0 26 {} 9.06056 0.02405 0.04855 ++ {0.0} {} {21.HA} 4.30566 0.06635 0.11645 ++ {0.0} {} {} 121.33479 0.30038 0.57205 ++ {0.0} {} 0.0 0.1534 0 {} 0 27 {} 9.06140 0.02493 0.05318 ++ {0.0} {} {21.HG3} 2.48496 0.13112 0.21000 ++ {0.0} {} {} 121.33572 0.30952 0.58127 ++ {0.0} {} 0.0 0.1202 0 {} 0 28 {} 7.94027 0.02147 0.05309 ++ {0.0} {} {22.HB3} 3.19193 0.07900 0.11286 ++ {0.0} {} {} 114.31911 0.30462 0.58842 ++ {0.0} {} 0.0 0.2146 0 {} 0 29 {} 8.86598 0.03451 0.06485 ++ {0.0} {} {29.HG21} 1.39667 0.05565 0.08893 ++ {0.0} {} {} 122.68916 0.29879 0.52967 ++ {0.0} {} 0.0 0.0645 0 {} 0 30 {} 8.87094 0.01077 0.03217 ++ {0.0} {} {29.HA} 4.44530 0.06277 0.09439 ++ {0.0} {} {} 122.67630 0.30200 0.48342 ++ {0.0} {} 0.0 0.0367 0 {} 0 31 {} 8.86730 0.03208 0.06333 ++ {0.0} {} {29.HB} 4.70082 0.05747 0.10784 ++ {0.0} {} {} 122.69323 0.30628 0.56793 ++ {0.0} {} 0.0 0.1006 0 {} 0 32 {} 8.67591 0.02594 0.05505 ++ {0.0} {} {35.HG3} 2.29309 0.07539 0.13812 ++ {0.0} {} {} 120.68175 0.31177 0.60233 ++ {0.0} {} 0.0 0.2155 0 {} 0 33 {} 8.67528 0.02568 0.05228 ++ {0.0} {} {35.HG2} 2.59568 0.06580 0.12632 ++ {0.0} {} {} 120.67832 0.31003 0.59916 ++ {0.0} {} 0.0 0.2175 0 {} 0 34 {} 8.67546 0.02511 0.05350 ++ {0.0} {} {35.HA} 4.08997 0.05319 0.11171 ++ {0.0} {} {} 120.67750 0.31628 0.60684 ++ {0.0} {} 0.0 0.1803 0 {} 0 35 {} 8.35114 0.02464 0.05394 ++ {0.0} {} {44.HG3} 2.07103 0.07241 0.13142 ++ {0.0} {} {} 118.66969 0.30660 0.59276 ++ {0.0} {} 0.0 0.2200 0 {} 0 36 {} 8.35084 0.02451 0.05569 ++ {0.0} {} {44.HG2} 2.36063 0.06318 0.12166 ++ {0.0} {} {} 118.67398 0.30432 0.58856 ++ {0.0} {} 0.0 0.2223 0 {} 0 37 {} 8.34937 0.02698 0.05798 ++ {0.0} {} {44.HA} 3.72399 0.05594 0.11272 ++ {0.0} {} {} 118.67591 0.30978 0.59355 ++ {0.0} {} 0.0 0.1746 0 {} 0 38 {} 8.03506 0.02808 0.04851 ++ {0.0} {} {46.HA} 4.09064 0.05623 0.10837 ++ {0.0} {} {} 120.62122 0.33300 0.61536 ++ {0.0} {} 0.0 0.0965 0 {} 0 39 {} 8.56506 0.02363 0.04372 ++ {0.0} {} {47.HA} 3.95337 0.06286 0.11309 ++ {0.0} {} {} 121.65594 0.34252 0.63991 ++ {0.0} {} 0.0 0.1113 0 {} 0 40 {} 8.56517 0.02287 0.03924 ++ {0.0} {} {47.HB} 2.17977 0.06558 0.09991 ++ {0.0} {} {} 121.64521 0.33026 0.55467 ++ {0.0} {} 0.0 0.0458 0 {} 0 41 {} 8.56728 0.01899 0.04054 ++ {0.0} {} {47.HG13} 1.57376 0.07852 0.12101 ++ {0.0} {} {} 121.62357 0.28951 0.48387 ++ {0.0} {} 0.0 0.0446 0 {} 0 42 {} 8.56454 0.02148 0.04672 ++ {0.0} {} {47.HG21} 1.00570 0.06579 0.11414 ++ {0.0} {} {} 121.64216 0.32865 0.61687 ++ {0.0} {} 0.0 0.1192 0 {} 0 43 {} 8.56242 0.02263 0.03345 ++ {0.0} {} {47.HD11} 0.77576 0.06452 0.09598 ++ {0.0} {} {} 121.64339 0.36123 0.60174 ++ {0.0} {} 0.0 0.0439 0 {} 0 44 {} 8.60233 0.02064 0.03181 ++ {0.0} {} {48.HG3} 1.49834 0.06315 0.09313 ++ {0.0} {} {} 119.55734 0.29742 0.48133 ++ {0.0} {} 0.0 0.0384 0 {} 0 45 {} 8.59779 0.02713 0.04922 ++ {0.0} {} {48.HD3} 1.72633 0.09989 0.15180 ++ {0.0} {} {} 119.55333 0.30472 0.54244 ++ {0.0} {} 0.0 0.0667 0 {} 0 46 {} 8.60061 0.01559 0.02528 ++ {0.0} {} {48.HB3} 1.97679 0.05031 0.08142 ++ {0.0} {} {} 119.63485 0.37719 0.61678 ++ {0.0} {} 0.0 0.0402 0 {} 0 47 {} 8.60194 0.01825 0.03166 ++ {0.0} {} {48.HB2} 2.17383 0.06942 0.10606 ++ {0.0} {} {} 119.60177 0.36731 0.59867 ++ {0.0} {} 0.0 0.0396 0 {} 0 48 {} 8.60129 0.01717 0.03006 ++ {0.0} {} {48.HE3} 3.01132 0.06481 0.09069 ++ {0.0} {} {} 119.48080 0.43549 0.70050 ++ {0.0} {} 0.0 0.0375 0 {} 0 49 {} 8.59914 0.02147 0.03507 ++ {0.0} {} {48.HA} 4.41209 0.05840 0.09271 ++ {0.0} {} {} 119.60802 0.31668 0.53990 ++ {0.0} {} 0.0 0.0497 0 {} 0 50 {} 8.16996 0.02437 0.05037 ++ {0.0} {} {49.HA} 3.87433 0.06538 0.11544 ++ {0.0} {} {} 122.34039 0.30716 0.58662 ++ {0.0} {} 0.0 0.1625 0 {} 0 51 {} 8.16872 0.02032 0.03662 ++ {0.0} {} {49.HB} 1.98529 0.06990 0.11033 ++ {0.0} {} {} 122.32197 0.31856 0.57207 ++ {0.0} {} 0.0 0.0718 0 {} 0 52 {} 8.16862 0.02639 0.04588 ++ {0.0} {} {49.HG12} 1.77900 0.06572 0.11373 ++ {0.0} {} {} 122.34801 0.31694 0.55350 ++ {0.0} {} 0.0 0.0578 0 {} 0 53 {} 8.16735 0.02371 0.03895 ++ {0.0} {} {49.HG13} 1.35494 0.06165 0.09797 ++ {0.0} {} {} 122.33279 0.29359 0.51244 ++ {0.0} {} 0.0 0.0576 0 {} 0 54 {} 8.16823 0.02605 0.05220 ++ {0.0} {} {49.HG21} 1.04646 0.05794 0.10056 ++ {0.0} {} {} 122.33723 0.31008 0.58905 ++ {0.0} {} 0.0 0.1462 0 {} 0 55 {} 8.17066 0.02265 0.03963 ++ {0.0} {} {49.HD11} 0.90491 0.05572 0.09037 ++ {0.0} {} {} 122.33109 0.32974 0.59041 ++ {0.0} {} 0.0 0.0700 0 {} 0 56 {} 8.32453 0.02053 0.06223 ++ {0.0} {} {52.HG3} 2.51554 0.09865 0.16902 ++ {0.0} {} {} 118.00188 0.30201 0.59217 ++ {0.0} {} 0.0 0.3738 0 {} 0 57 {} 8.32412 0.01828 0.04728 ++ {0.0} {} {52.HA} 4.01252 0.06487 0.12305 ++ {0.0} {} {} 118.00705 0.30130 0.57727 ++ {0.0} {} 0.0 0.1745 0 {} 0 58 {} 8.16690 0.02526 0.05692 ++ {0.0} {} {53.HB3} 2.44860 0.05744 0.11330 ++ {0.0} {} {} 123.01516 0.30552 0.59473 ++ {0.0} {} 0.0 0.2748 0 {} 0 59 {} 8.16716 0.02350 0.05605 ++ {0.0} {} {53.HB2} 2.64220 0.06933 0.12810 ++ {0.0} {} {} 123.01347 0.29698 0.57887 ++ {0.0} {} 0.0 0.2885 0 {} 0 60 {} 8.16520 0.01912 0.04211 ++ {0.0} {} {53.HA} 4.32797 0.06194 0.11149 ++ {0.0} {} {} 123.00916 0.29438 0.55214 ++ {0.0} {} 0.0 0.1179 0 {} 0 61 {} 7.89545 0.02539 0.05352 ++ {0.0} {} {} 0.96289 0.08602 0.12922 ++ {0.0} {} {} 119.71819 0.32350 0.61005 ++ {0.0} {} 0.0 0.1284 0 {} 0 62 {} 7.90286 0.02908 0.07702 ++ {0.0} {} {20.HD3} 1.73688 0.06689 0.12419 ++ {0.0} {} {} 119.89616 0.33184 0.64455 ++ {0.0} {} 0.0 0.2544 0 {} 0 63 {} 7.89315 0.01965 0.03406 ++ {0.0} {} {58.HA} 4.27938 0.06041 0.10816 ++ {0.0} {} {} 119.73125 0.30352 0.55236 ++ {0.0} {} 0.0 0.0814 0 {} 0 64 {} 8.09874 0.02435 0.05104 ++ {0.0} {} {59.HG3} 1.50055 0.10141 0.16963 ++ {0.0} {} {} 121.00819 0.30329 0.57471 ++ {0.0} {} 0.0 0.1396 0 {} 0 65 {} 8.09794 0.02392 0.05531 ++ {0.0} {} {59.HD3} 1.74699 0.05495 0.10939 ++ {0.0} {} {} 121.00656 0.29359 0.57212 ++ {0.0} {} 0.0 0.2859 0 {} 0 66 {} 8.09714 0.02131 0.05163 ++ {0.0} {} {59.HB3} 1.90305 0.10501 0.15932 ++ {0.0} {} {} 121.00925 0.28678 0.54782 ++ {0.0} {} 0.0 0.1634 0 {} 0 67 {} 8.09863 0.02193 0.04463 ++ {0.0} {} {59.HE3} 3.05710 0.05905 0.10682 ++ {0.0} {} {} 121.00782 0.30000 0.56385 ++ {0.0} {} 0.0 0.1217 0 {} 0 68 {} 8.09886 0.02102 0.05279 ++ {0.0} {} {59.HA} 4.25693 0.05309 0.11024 ++ {0.0} {} {} 121.00738 0.30199 0.57780 ++ {0.0} {} 0.0 0.1691 0 {} 0 69 {} 8.25383 0.02530 0.05381 ++ {0.0} {} {60.HG3} 1.48634 0.07432 0.13467 ++ {0.0} {} {} 122.00372 0.29939 0.58432 ++ {0.0} {} 0.0 0.3036 0 {} 0 70 {} 8.25369 0.02577 0.05518 ++ {0.0} {} {60.HD3} 1.72156 0.06348 0.12516 ++ {0.0} {} {} 122.00558 0.30110 0.59214 ++ {0.0} {} 0.0 0.4389 0 {} 0 71 {} 8.25362 0.02515 0.05026 ++ {0.0} {} {60.HB3} 1.90168 0.07900 0.11286 ++ {0.0} {} {} 122.01039 0.30422 0.58299 ++ {0.0} {} 0.0 0.1753 0 {} 0 72 {} 8.25471 0.02618 0.04932 ++ {0.0} {} {60.HE3} 3.03584 0.05779 0.10600 ++ {0.0} {} {} 122.00783 0.30123 0.57702 ++ {0.0} {} 0.0 0.1736 0 {} 0 73 {} 8.25361 0.02543 0.05426 ++ {0.0} {} {60.HA} 4.33346 0.05529 0.12037 ++ {0.0} {} {} 122.00591 0.29195 0.56707 ++ {0.0} {} 0.0 0.2542 0 {} 0 74 {} 7.79695 0.02587 0.05379 ++ {0.0} {} {61.HG3} 2.29041 0.07900 0.11286 ++ {0.0} {} {} 128.34190 0.32442 0.64109 ++ {0.0} {} 0.0 0.6142 0 {} 0 75 {} 7.79691 0.02480 0.04973 ++ {0.0} {} {61.HA} 4.34944 0.06067 0.11354 ++ {0.0} {} {} 128.34135 0.31703 0.62544 ++ {0.0} {} 0.0 0.5389 0 {} 0 76 {} 7.49927 0.01554 0.02447 ++ {0.0} {} {55.HB3} 1.36673 0.05868 0.08938 ++ {0.0} {} {} 117.99521 0.27563 0.41762 ++ {0.0} {} 0.0 0.0302 0 {} 0 77 {} 7.49993 0.01669 0.02209 ++ {0.0} {} {55.HG3} 1.82734 0.06120 0.08907 ++ {0.0} {} {} 118.03896 0.34807 0.52849 ++ {0.0} {} 0.0 0.0304 0 {} 0 78 {} 7.50061 0.02010 0.03182 ++ {0.0} {} {55.HG2} 2.14332 0.08072 0.11586 ++ {0.0} {} {} 118.01069 0.29834 0.47106 ++ {0.0} {} 0.0 0.0348 0 {} 0 79 {} 7.50452 0.01532 0.02922 ++ {0.0} {} {} 2.32575 0.04871 0.08047 ++ {0.0} {} {} 118.00102 0.27934 0.45838 ++ {0.0} {} 0.0 0.0408 0 {} 0 80 {} 7.50230 0.01792 0.02848 ++ {0.0} {} {} 2.64493 0.07948 0.10952 ++ {0.0} {} {} 118.00504 0.34546 0.57063 ++ {0.0} {} 0.0 0.0421 0 {} 0 81 {} 7.50021 0.02128 0.03199 ++ {0.0} {} {} 2.93548 0.06316 0.09683 ++ {0.0} {} {} 118.00799 0.29149 0.48008 ++ {0.0} {} 0.0 0.0415 0 {} 0 82 {} 7.49918 0.02473 0.04993 ++ {0.0} {} {55.HA} 3.94509 0.05649 0.10013 ++ {0.0} {} {} 118.00727 0.33346 0.60302 ++ {0.0} {} 0.0 0.0765 0 {} 0 83 {} 8.28282 0.02801 0.06616 ++ {0.0} {} {41.HB3} 3.21648 0.11834 0.17896 ++ {0.0} {} {} 120.00421 0.29100 0.56775 ++ {0.0} {} 0.0 0.2993 0 {} 0 84 {} 8.37485 0.02289 0.05957 ++ {0.0} {} {36.HA} 3.90711 0.05264 0.11060 ++ {0.0} {} {} 124.34231 0.30029 0.57584 ++ {0.0} {} 0.0 0.1780 0 {} 0 85 {} 8.37578 0.01599 0.02929 ++ {0.0} {} {36.HB} 1.78135 0.07799 0.13305 ++ {0.0} {} {} 124.33767 0.29616 0.53827 ++ {0.0} {} 0.0 0.0804 0 {} 0 86 {} 8.37363 0.01922 0.03868 ++ {0.0} {} {36.HG13} 1.16592 0.07157 0.11341 ++ {0.0} {} {} 124.32322 0.29465 0.50952 ++ {0.0} {} 0.0 0.0542 0 {} 0 87 {} 8.37354 0.02278 0.05459 ++ {0.0} {} {36.HG21} 0.90060 0.05850 0.10514 ++ {0.0} {} {} 124.34402 0.29696 0.57136 ++ {0.0} {} 0.0 0.1931 0 {} 0 88 {} 8.37566 0.02645 0.03860 ++ {0.0} {} {36.HD11} 0.78111 0.05664 0.08015 ++ {0.0} {} {} 124.34267 0.30190 0.52558 ++ {0.0} {} 0.0 0.0566 0 {} 0 89 {} 7.71178 0.02590 0.04770 ++ {0.0} {} {31.HD3} 3.21844 0.06821 0.12514 ++ {0.0} {} {} 119.22289 0.32678 0.60909 ++ {0.0} {} 0.0 0.1077 0 {} 0 90 {} 7.71211 0.02232 0.05065 ++ {0.0} {} {31.HA} 3.95833 0.07120 0.11283 ++ {0.0} {} {} 119.21826 0.32731 0.57384 ++ {0.0} {} 0.0 0.0594 0 {} 0 91 {} 8.33786 0.02300 0.04122 ++ {0.0} {} {30.HA} 3.85477 0.06554 0.11294 ++ {0.0} {} {} 115.99394 0.28535 0.53514 ++ {0.0} {} 0.0 0.1177 0 {} 0 92 {} 8.34752 0.02469 0.05819 ++ {0.0} {} {24.HB3} 3.28538 0.10782 0.18638 ++ {0.0} {} {} 116.66380 0.29306 0.57805 ++ {0.0} {} 0.0 0.5325 -1 {} 0 93 {} 7.65094 0.03233 0.05394 ++ {0.0} {} {28.HA} 4.71072 0.05527 0.08800 ++ {0.0} {} {} 111.74860 0.32503 0.55525 ++ {0.0} {} 0.0 0.0503 0 {} 0 94 {} 7.78423 0.02245 0.05256 ++ {0.0} {} {19.HA} 4.25573 0.06043 0.12168 ++ {0.0} {} {} 120.34882 0.30753 0.58662 ++ {0.0} {} 0.0 0.1586 0 {} 0 95 {} 8.19474 0.02038 0.04320 ++ {0.0} {} {17.HA} 3.89095 0.06349 0.11604 ++ {0.0} {} {} 123.36707 0.32971 0.62505 ++ {0.0} {} 0.0 0.1406 0 {} 0 96 {} 8.53515 0.02567 0.04337 ++ {0.0} {} {14.HA} 3.57098 0.06745 0.11576 ++ {0.0} {} {} 113.57440 0.33202 0.61719 ++ {0.0} {} 0.0 0.1040 0 {} 0 97 {} 8.53685 0.02630 0.04154 ++ {0.0} {} {14.HG2} 2.79193 0.06428 0.11098 ++ {0.0} {} {} 113.58414 0.31989 0.57055 ++ {0.0} {} 0.0 0.0678 0 {} 0 98 {} 8.53550 0.01605 0.04167 ++ {0.0} {} {14.HG3} 2.45707 0.06530 0.11662 ++ {0.0} {} {} 113.60070 0.30092 0.54359 ++ {0.0} {} 0.0 0.0758 0 {} 0 99 {} 8.18372 0.03116 0.09509 ++ {0.0} {} {8.HA} 4.40968 0.06347 0.11404 ++ {0.0} {} {} 117.33049 0.30837 0.57457 ++ {0.0} {} 0.0 0.1072 0 {} 0 100 {} 8.42409 0.02716 0.05707 ++ {0.0} {} {12.HD3} 3.30633 0.09138 0.15422 ++ {0.0} {} {} 118.01406 0.32249 0.60527 ++ {0.0} {} 0.0 0.1395 0 {} 0 101 {} 8.42492 0.02531 0.04013 ++ {0.0} {} {12.HB3} 1.99561 0.10414 0.16089 ++ {0.0} {} {} 117.99695 0.36250 0.62235 ++ {0.0} {} 0.0 0.0607 0 {} 0 102 {} 8.42361 0.02609 0.06101 ++ {0.0} {} {12.HG3} 1.72735 0.08041 0.12742 ++ {0.0} {} {} 118.01523 0.32528 0.59392 ++ {0.0} {} 0.0 0.0987 0 {} 0 103 {} 7.77193 0.02450 0.06260 ++ {0.0} {} {13.HB2} 3.37656 0.06597 0.13097 ++ {0.0} {} {} 115.99527 0.30554 0.59399 ++ {0.0} {} 0.0 0.3070 0 {} 0 104 {} 7.77211 0.02331 0.06360 ++ {0.0} {} {13.HB3} 2.91001 0.07243 0.13822 ++ {0.0} {} {} 115.99732 0.29703 0.57614 ++ {0.0} {} 0.0 0.2848 0 {} 0 105 {} 7.50041 0.02599 0.04245 ++ {0.0} {} {57.HA} 4.11690 0.06555 0.09982 ++ {0.0} {} {} 119.71815 0.31634 0.52041 ++ {0.0} {} 0.0 0.1009 0 {} 0 106 {} 7.49977 0.02628 0.03923 ++ {0.0} {} {57.HE3} 2.85157 0.06559 0.09740 ++ {0.0} {} {} 119.68965 0.33349 0.53741 ++ {0.0} {} 0.0 0.0922 0 {} 0 107 {} 7.50079 0.02790 0.04305 ++ {0.0} {} {57.HB2} 1.82156 0.06728 0.09754 ++ {0.0} {} {} 119.69719 0.30859 0.48682 ++ {0.0} {} 0.0 0.0848 0 {} 0 108 {} 7.50069 0.02134 0.03279 ++ {0.0} {} {57.HB3} 1.65342 0.05954 0.08405 ++ {0.0} {} {} 119.69244 0.31211 0.47425 ++ {0.0} {} 0.0 0.0745 0 {} 0 109 {} 7.97349 0.02297 0.04020 ++ {0.0} {} {} 3.41488 0.05484 0.09003 ++ {0.0} {} {} 117.65738 0.29535 0.51701 ++ {0.0} {} 0.0 0.1148 0 {} 0 110 {} 7.97154 0.02423 0.02851 ++ {0.0} {} {} 0.70973 0.08276 0.09696 ++ {0.0} {} {} 117.65732 0.31038 0.38123 ++ {0.0} {} 0.0 0.0371 0 {} 0 111 {} 9.01425 0.02218 0.03393 ++ {0.0} {} {50.HB3} 3.31697 0.07346 0.11029 ++ {0.0} {} {} 119.07274 0.35206 0.56988 ++ {0.0} {} 0.0 0.0751 0 {} 0 112 {} 9.01408 0.02584 0.04435 ++ {0.0} {} {50.HB2} 3.51186 0.06257 0.08831 ++ {0.0} {} {} 119.06551 0.29480 0.46021 ++ {0.0} {} 0.0 0.0653 0 {} 0 113 {} 8.42111 0.03349 0.04982 ++ {0.0} {} {27.HB3} 2.74718 0.07236 0.11612 ++ {0.0} {} {} 121.69546 0.32764 0.58345 ++ {0.0} {} 0.0 0.1307 0 {} 0 114 {} 8.41786 0.02975 0.05078 ++ {0.0} {} {27.HB2} 3.00462 0.05817 0.10018 ++ {0.0} {} {} 121.69391 0.33057 0.59131 ++ {0.0} {} 0.0 0.1356 0 {} 0 115 {} 7.99628 0.03256 0.05151 ++ {0.0} {} {26.HB3} 2.72949 0.07392 0.11612 ++ {0.0} {} {} 114.97337 0.31288 0.54832 ++ {0.0} {} 0.0 0.1157 0 {} 0 116 {} 7.99560 0.02611 0.04630 ++ {0.0} {} {26.HB2} 3.00672 0.07235 0.11738 ++ {0.0} {} {} 114.96981 0.31697 0.55148 ++ {0.0} {} 0.0 0.1101 0 {} 0 117 {} 7.63543 0.02765 0.05814 ++ {0.0} {} {23.HB3} 3.23749 0.06762 0.12143 ++ {0.0} {} {} 117.35445 0.33717 0.64944 ++ {0.0} {} 0.0 0.3879 0 {} 0 118 {} 9.19891 0.02968 0.04882 ++ {0.0} {} {10.HB3} 2.77102 0.07830 0.12356 ++ {0.0} {} {} 114.57677 0.32893 0.58359 ++ {0.0} {} 0.0 0.1268 0 {} 0 119 {} 9.20126 0.02967 0.05345 ++ {0.0} {} {10.HB2} 3.12817 0.06837 0.11145 ++ {0.0} {} {} 114.56891 0.31842 0.56235 ++ {0.0} {} 0.0 0.1225 0 {} 0 120 {} 8.18482 0.03915 0.09031 ++ {0.0} {} {8.HG3} 2.36790 0.07985 0.12977 ++ {0.0} {} {} 117.33211 0.30509 0.55866 ++ {0.0} {} 0.0 0.1696 0 {} 0 121 {} 8.56844 0.03134 0.06044 ++ {0.0} {} {7.HD3} 3.23572 0.06213 0.09371 ++ {0.0} {} {} 122.54292 0.31772 0.54179 ++ {0.0} {} 0.0 0.0972 0 {} 0 122 {} 8.56971 0.03737 0.04291 ++ {0.0} {} {7.HA} 4.38553 0.06081 0.07183 ++ {0.0} {} {} 122.58635 0.30586 0.38724 ++ {0.0} {} 0.0 0.0390 0 {} 0 123 {} 8.57117 0.03374 0.05895 ++ {0.0} {} {7.HG3} 1.66357 0.06376 0.10423 ++ {0.0} {} {} 122.53302 0.33403 0.53886 ++ {0.0} {} 0.0 0.0740 0 {} 0 124 {} 8.47464 0.02970 0.05502 ++ {0.0} {} {5.HD3} 3.25172 0.05271 0.08256 ++ {0.0} {} {} 110.44846 0.33600 0.55847 ++ {0.0} {} 0.0 0.0848 0 {} 0 125 {} 8.47097 0.03433 0.05737 ++ {0.0} {} {5.HG3} 1.69645 0.07754 0.11164 ++ {0.0} {} {} 110.41022 0.35150 0.54848 ++ {0.0} {} 0.0 0.0652 0 {} 0 126 {} 8.47628 0.01982 0.02566 ++ {0.0} {} {5.HA} 4.39817 0.05339 0.06317 ++ {0.0} {} {} 110.57400 0.30069 0.37121 ++ {0.0} {} 0.0 0.0374 0 {} 0 127 {} 8.50723 0.03506 0.04446 ++ {0.0} {} {4.HA} 4.38065 0.05605 0.07288 ++ {0.0} {} {} 123.40116 0.50453 0.68249 ++ {0.0} {} 0.0 0.0443 0 {} 0 128 {} 8.50588 0.03553 0.06299 ++ {0.0} {} {4.HD3} 3.24125 0.05937 0.09363 ++ {0.0} {} {} 123.41758 0.51679 1.07948 ++ {0.0} {} 0.0 0.1286 0 {} 0 129 {} 8.50455 0.02752 0.03076 ++ {0.0} {} {4.HG3} 1.86076 0.08128 0.08808 ++ {0.0} {} {} 123.41673 0.52422 0.59591 ++ {0.0} {} 0.0 0.0332 0 {} 0 130 {} 8.50495 0.03145 0.06046 ++ {0.0} {} {4.HG2} 1.67548 0.08135 0.12638 ++ {0.0} {} {} 123.41904 0.46553 0.88830 ++ {0.0} {} 0.0 0.0975 0 {} 0 131 {} 8.61210 0.04080 0.04934 ++ {0.0} {} {3.HG3} 1.70797 0.05770 0.08147 ++ {0.0} {} {} 123.70573 0.31735 0.44029 ++ {0.0} {} 0.0 0.0374 0 {} 0 132 {} 8.61561 0.02693 0.04807 ++ {0.0} {} {3.HD3} 3.25072 0.04803 0.07884 ++ {0.0} {} {} 123.68880 0.28669 0.46643 ++ {0.0} {} 0.0 0.0614 0 {} 0 133 {} 7.74295 0.02541 0.06781 ++ {0.0} {} {} 0.91919 0.06420 0.11441 ++ {0.0} {} {} 118.98335 0.31964 0.61091 ++ {0.0} {} 0.0 0.2583 0 {} 0 134 {} 7.74369 0.02708 0.04947 ++ {0.0} {} {} 1.51203 0.07133 0.12607 ++ {0.0} {} {} 118.98247 0.31929 0.58750 ++ {0.0} {} 0.0 0.1432 0 {} 0 135 {} 8.19349 0.02387 0.04457 ++ {0.0} {} {17.HG3} 1.59789 0.07066 0.12992 ++ {0.0} {} {} 123.36623 0.30809 0.55202 ++ {0.0} {} 0.0 0.1100 0 {} 0 136 {} 8.19626 0.02510 0.05173 ++ {0.0} {} {17.HG2} 1.71411 0.07551 0.13307 ++ {0.0} {} {} 123.36405 0.34530 0.61235 ++ {0.0} {} 0.0 0.1011 0 {} 0 137 {} 8.19373 0.02437 0.05247 ++ {0.0} {} {18.HB3} 0.49751 0.06134 0.12049 ++ {0.0} {} {} 119.00681 0.30323 0.56060 ++ {0.0} {} 0.0 0.1515 0 {} 0 138 {} 8.19397 0.02423 0.03841 ++ {0.0} {} {18.HA} 3.59171 0.06786 0.11369 ++ {0.0} {} {} 119.01237 0.29699 0.50793 ++ {0.0} {} 0.0 0.0791 0 {} 0 139 {} 7.50110 0.02537 0.04830 ++ {0.0} {} {} 1.49520 0.07254 0.12929 ++ {0.0} {} {} 119.69092 0.32452 0.60995 ++ {0.0} {} 0.0 0.1902 0 {} 0 140 {} 7.50256 0.01922 0.04144 ++ {0.0} {} {57.HG3} 1.32954 0.06915 0.11484 ++ {0.0} {} {} 119.69405 0.30258 0.53139 ++ {0.0} {} 0.0 0.0940 0 {} 0 141 {} 8.23311 0.02235 0.04462 ++ {0.0} {} {51.HB3} 3.32982 0.06275 0.12743 ++ {0.0} {} {} 118.99886 0.28955 0.54831 ++ {0.0} {} 0.0 0.2156 0 {} 0 142 {} 8.23355 0.02382 0.05276 ++ {0.0} {} {51.HB2} 3.58581 0.07117 0.12946 ++ {0.0} {} {} 119.00042 0.29316 0.55839 ++ {0.0} {} 0.0 0.2405 0 {} 0 143 {} 8.03306 0.02370 0.04966 ++ {0.0} {} {46.HG3} 2.50249 0.07185 0.11986 ++ {0.0} {} {} 120.61339 0.31203 0.53977 ++ {0.0} {} 0.0 0.0848 0 {} 0 144 {} 8.03082 0.02316 0.03515 ++ {0.0} {} {46.HG2} 2.62114 0.07166 0.12502 ++ {0.0} {} {} 120.63618 0.32871 0.56321 ++ {0.0} {} 0.0 0.0799 0 {} 0 145 {} 8.18963 0.02276 0.05701 ++ {0.0} {} {38.HB3} 3.35749 0.07132 0.14378 ++ {0.0} {} {} 121.67400 0.29185 0.57248 ++ {0.0} {} 0.0 0.5964 0 {} 0 146 {} 8.48496 0.02166 0.04734 ++ {0.0} {} {32.HA} 4.17662 0.06107 0.11069 ++ {0.0} {} {} 119.34259 0.30068 0.54731 ++ {0.0} {} 0.0 0.1275 0 {} 0 147 {} 8.48253 0.01719 0.02634 ++ {0.0} {} {32.HD2} 3.59398 0.06654 0.09606 ++ {0.0} {} {} 119.35023 0.26249 0.40819 ++ {0.0} {} 0.0 0.0515 0 {} 0 148 {} 8.48409 0.01835 0.03687 ++ {0.0} {} {32.HD3} 3.11025 0.05734 0.08619 ++ {0.0} {} {} 119.34399 0.29284 0.46741 ++ {0.0} {} 0.0 0.0567 0 {} 0 149 {} 8.48312 0.02169 0.03854 ++ {0.0} {} {32.HB3} 1.93011 0.08982 0.15918 ++ {0.0} {} {} 119.34561 0.29061 0.51690 ++ {0.0} {} 0.0 0.1035 0 {} 0 150 {} 8.48477 0.02061 0.03263 ++ {0.0} {} {32.HG2} 1.82577 0.07560 0.10800 ++ {0.0} {} {} 119.33788 0.30227 0.46243 ++ {0.0} {} 0.0 0.0487 0 {} 0 151 {} 8.48526 0.02063 0.03132 ++ {0.0} {} {32.HG3} 1.59920 0.07199 0.10837 ++ {0.0} {} {} 119.34084 0.30867 0.52093 ++ {0.0} {} 0.0 0.0734 0 {} 0 152 {} 7.74219 0.02803 0.05540 ++ {0.0} {} {} 1.91448 0.05873 0.14442 ++ {0.0} {} {} 118.98238 0.30324 0.55710 ++ {0.0} {} 0.0 0.1407 -1 {} 0 153 {} 7.71303 0.03440 0.04655 ++ {0.0} {} {31.HG3} 1.59046 0.05675 0.08236 ++ {0.0} {} {} 119.17357 0.28631 0.43897 ++ {0.0} {} 0.0 0.0491 0 {} 0 154 {} 7.71421 0.02109 0.04225 ++ {0.0} {} {31.HB3} 1.71554 0.06117 0.10686 ++ {0.0} {} {} 119.25627 0.31448 0.54787 ++ {0.0} {} 0.0 0.0889 0 {} 0 155 {} 7.74219 0.02803 0.05540 ++ {0.0} {} {} 1.91448 0.05873 0.14442 ++ {0.0} {} {} 118.98238 0.30324 0.55710 ++ {0.0} {} 0.0 0.1407 -1 {} 0 156 {} 8.34752 0.02469 0.05576 ++ {0.0} {} {} 3.28538 0.10782 0.18351 ++ {0.0} {} {} 116.66380 0.29306 0.57351 ++ {0.0} {} 0.0 0.5325 -1 {} 0 157 {} 8.33792 0.02170 0.03857 ++ {0.0} {} {30.HG3} 1.71203 0.07625 0.12517 ++ {0.0} {} {} 115.98737 0.28381 0.51847 ++ {0.0} {} 0.0 0.1323 0 {} 0 158 {} 8.33740 0.02371 0.03533 ++ {0.0} {} {30.HB3} 1.90879 0.10512 0.14543 ++ {0.0} {} {} 115.99017 0.30551 0.50807 ++ {0.0} {} 0.0 0.0680 0 {} 0 159 {} 8.34752 0.02469 0.05576 ++ {0.0} {} {} 3.28538 0.10782 0.18351 ++ {0.0} {} {} 116.66380 0.29306 0.57351 ++ {0.0} {} 0.0 0.5325 -1 {} 0 160 {} 7.78501 0.02242 0.04445 ++ {0.0} {} {19.HG2} 2.56288 0.06583 0.11529 ++ {0.0} {} {} 120.34145 0.30392 0.55842 ++ {0.0} {} 0.0 0.1410 0 {} 0 161 {} 7.78429 0.02404 0.05007 ++ {0.0} {} {19.HG3} 2.40943 0.06077 0.11062 ++ {0.0} {} {} 120.34325 0.29767 0.54613 ++ {0.0} {} 0.0 0.1386 0 {} 0 162 {} 8.30311 0.03523 0.11375 ++ {0.0} {} {6.HA3} 3.98429 0.07581 0.10831 ++ {0.0} {} {} 120.72753 0.33115 0.62969 ++ {0.0} {} 0.0 0.2327 0 {} 0 163 {} 8.47670 0.01909 0.02728 ++ {0.0} {} {5.HB3} 1.89876 0.06265 0.07684 ++ {0.0} {} {} 110.40157 0.27282 0.33976 ++ {0.0} {} 0.0 0.0243 0 {} 0 164 {} 8.57439 0.01970 0.02814 ++ {0.0} {} {7.HB3} 1.86227 0.08867 0.10898 ++ {0.0} {} {} 122.43368 0.23372 0.30076 ++ {0.0} {} 0.0 0.0257 0 {} 0 165 {} 8.62021 0.01368 0.01599 ++ {0.0} {} {3.HB2} 1.84358 0.04568 0.05234 ++ {0.0} {} {} 123.95315 0.25354 0.30288 ++ {0.0} {} 0.0 0.0228 0 {} 0 166 {} 8.60317 0.01660 0.02069 ++ {0.0} {} {3.HA} 4.40897 0.05633 0.06532 ++ {0.0} {} {} 123.69891 0.28133 0.34919 ++ {0.0} {} 0.0 0.0242 0 {} 0 167 {} 9.19812 0.02041 0.02621 ++ {0.0} {} {10.HA} 4.97831 0.05422 0.06337 ++ {0.0} {} {} 114.59500 0.30686 0.38962 ++ {0.0} {} 0.0 0.0251 0 {} 0 168 {} 8.19655 0.02144 0.02799 ++ {0.0} {} {18.HG} 1.13872 0.06739 0.09151 ++ {0.0} {} {} 119.01170 0.43600 0.61739 ++ {0.0} {} 0.0 0.0314 0 {} 0 169 {} 7.90658 0.02309 0.04498 ++ {0.0} {} {20.HG3} 1.43397 0.07065 0.11601 ++ {0.0} {} {} 119.98885 0.29860 0.54307 ++ {0.0} {} 0.0 0.1011 0 {} 0 170 {} 7.90688 0.02508 0.05325 ++ {0.0} {} {20.HB3} 1.95829 0.06184 0.12045 ++ {0.0} {} {} 120.00398 0.29163 0.55612 ++ {0.0} {} 0.0 0.1970 0 {} 0 171 {} 7.90474 0.02140 0.03692 ++ {0.0} {} {20.HE3} 2.94004 0.06658 0.11147 ++ {0.0} {} {} 119.99522 0.31142 0.53247 ++ {0.0} {} 0.0 0.0632 0 {} 0 172 {} 7.90800 0.02061 0.04906 ++ {0.0} {} {20.HA} 4.04026 0.06595 0.11491 ++ {0.0} {} {} 119.99895 0.29417 0.54338 ++ {0.0} {} 0.0 0.1200 0 {} 0 173 {} 7.90669 0.01971 0.03252 ++ {0.0} {} {20.HG2} 1.63420 0.07238 0.10340 ++ {0.0} {} {} 120.01250 0.29091 0.51438 ++ {0.0} {} 0.0 0.0791 0 {} 0 174 {} 8.42117 0.01896 0.03014 ++ {0.0} {} {27.HA} 4.74814 0.09093 0.11156 ++ {0.0} {} {} 121.72757 0.25207 0.33570 ++ {0.0} {} 0.0 0.0274 0 {} 0 175 {} 7.65415 0.03213 0.04628 ++ {0.0} {} {28.HD11} 0.24651 0.06233 0.09137 ++ {0.0} {} {} 111.73218 0.36841 0.58656 ++ {0.0} {} 0.0 0.0449 0 {} 0 176 {} 7.65272 0.02253 0.04493 ++ {0.0} {} {28.HD21} 0.58686 0.06002 0.08788 ++ {0.0} {} {} 111.74828 0.30794 0.51223 ++ {0.0} {} 0.0 0.0545 0 {} 0 177 {} 7.65114 0.03061 0.04392 ++ {0.0} {} {28.HB3} 1.27756 0.06654 0.10612 ++ {0.0} {} {} 111.77890 0.33443 0.53859 ++ {0.0} {} 0.0 0.0471 0 {} 0 178 {} 7.65054 0.02483 0.04963 ++ {0.0} {} {28.HB2} 1.54977 0.06821 0.11203 ++ {0.0} {} {} 111.72577 0.37183 0.61561 ++ {0.0} {} 0.0 0.0532 0 {} 0 179 {} 8.34752 0.02469 0.05705 ++ {0.0} {} {} 3.28538 0.10782 0.18510 ++ {0.0} {} {} 116.66380 0.29306 0.57603 ++ {0.0} {} 0.0 0.5325 -1 {} 0 180 {} 8.34752 0.02469 0.05705 ++ {0.0} {} {} 3.28538 0.10782 0.18510 ++ {0.0} {} {} 116.66380 0.29306 0.57603 ++ {0.0} {} 0.0 0.5325 0 {} 0 181 {} 7.71050 0.02803 0.05540 ++ {0.0} {} {31.HB2} 1.91450 0.05873 0.14440 ++ {0.0} {} {} 118.98000 0.30320 0.55710 ++ {0.0} {} 0.0 0.1407 0 {} 0 182 {} 7.65042 0.01480 0.01663 ++ {0.0} {} {28.HG} 0.73125 0.06855 0.07461 ++ {0.0} {} {} 111.74061 0.23470 0.26884 ++ {0.0} {} 0.0 0.0137 0 {} 0 183 {} 7.74234 0.02849 0.06377 ++ {0.0} {} {16.HA} 3.99386 0.06326 0.10633 ++ {0.0} {} {} 118.98778 0.32216 0.57038 ++ {0.0} {} 0.0 0.0799 0 {} 0 184 {} 7.73878 0.02099 0.02808 ++ {0.0} {} {} 1.79800 0.07115 0.09803 ++ {0.0} {} {} 118.96716 0.27011 0.40199 ++ {0.0} {} 0.0 0.0358 0 {} 0 185 {} 8.02277 0.02723 0.04826 ++ {0.0} {} {} 0.73506 0.08032 0.14038 ++ {0.0} {} {} 117.34593 0.32462 0.60172 ++ {0.0} {} 0.0 0.1565 0 {} 0 186 {} 8.02312 0.02516 0.03871 ++ {0.0} {} {40.HA} 4.58077 0.05822 0.09491 ++ {0.0} {} {} 117.34133 0.34856 0.60634 ++ {0.0} {} 0.0 0.0880 0 {} 0 187 {} 8.02252 0.02061 0.03908 ++ {0.0} {} {} 1.56126 0.06629 0.11358 ++ {0.0} {} {} 117.35006 0.30650 0.53483 ++ {0.0} {} 0.0 0.0898 0 {} 0 188 {} 8.02119 0.02956 0.05534 ++ {0.0} {} {} 1.74666 0.10329 0.17881 ++ {0.0} {} {} 117.33129 0.30056 0.55811 ++ {0.0} {} 0.0 0.1601 0 {} 0 189 {} 7.97033 0.01120 0.01592 ++ {0.0} {} {} 1.95510 0.05262 0.06972 ++ {0.0} {} {} 117.66061 0.29754 0.40235 ++ {0.0} {} 0.0 0.0283 0 {} 0 190 {} 7.97789 0.02310 0.02928 ++ {0.0} {} {} 2.36394 0.05382 0.07468 ++ {0.0} {} {} 117.63124 0.30442 0.42161 ++ {0.0} {} 0.0 0.0298 0 {} 0 191 {} 8.00406 0.02823 0.05017 ++ {0.0} {} {45.HB2} 1.82565 0.06817 0.10666 ++ {0.0} {} {} 117.33520 0.30532 0.53722 ++ {0.0} {} 0.0 0.0762 0 {} 0 192 {} 7.97924 0.02465 0.03890 ++ {0.0} {} {33.HA} 3.75198 0.06636 0.09706 ++ {0.0} {} {} 118.26803 0.33656 0.53436 ++ {0.0} {} 0.0 0.0445 0 {} 0 193 {} 7.97994 0.01926 0.02278 ++ {0.0} {} {33.HD3} 3.35326 0.07399 0.08626 ++ {0.0} {} {} 118.11095 0.31007 0.39015 ++ {0.0} {} 0.0 0.0247 0 {} 0 194 {} 7.97349 0.02299 0.04821 ++ {0.0} {} {} 3.41488 0.05484 0.09856 ++ {0.0} {} {} 117.65738 0.29535 0.54354 ++ {0.0} {} 0.0 0.1148 0 {} 0 195 {} 7.98721 0.01579 0.02053 ++ {0.0} {} {} 2.06671 0.06878 0.08478 ++ {0.0} {} {} 118.25050 0.30979 0.42204 ++ {0.0} {} 0.0 0.0287 0 {} 0 196 {} 7.97033 0.01120 0.01592 ++ {0.0} {} {} 1.95510 0.05262 0.06972 ++ {0.0} {} {} 117.66061 0.29754 0.40235 ++ {0.0} {} 0.0 0.0283 0 {} 0 197 {} 8.00533 0.02956 0.05780 ++ {0.0} {} {} 1.72005 0.10329 0.18290 ++ {0.0} {} {} 117.33129 0.30056 0.56672 ++ {0.0} {} 0.0 0.1601 0 {} 0 198 {} 7.98287 0.02293 0.03551 ++ {0.0} {} {} 1.64393 0.07724 0.11120 ++ {0.0} {} {} 118.28136 0.32488 0.52483 ++ {0.0} {} 0.0 0.0477 0 {} 0 199 {} 7.98346 0.01926 0.02278 ++ {0.0} {} {33.HD2} 3.54842 0.07399 0.08626 ++ {0.0} {} {} 118.11095 0.31007 0.39015 ++ {0.0} {} 0.0 0.0247 0 {} 0 200 {} 7.98287 0.02293 0.03551 ++ {0.0} {} {} 1.49313 0.07724 0.11120 ++ {0.0} {} {} 118.28136 0.32488 0.52483 ++ {0.0} {} 0.0 0.0477 0 {} 0 201 {} 7.98192 0.01579 0.02053 ++ {0.0} {} {} 1.92477 0.06878 0.08478 ++ {0.0} {} {} 118.25050 0.30979 0.42204 ++ {0.0} {} 0.0 0.0287 0 {} 0 202 {} 7.79291 0.02302 0.04857 ++ {0.0} {} {34.HA} 3.56673 0.06565 0.11781 ++ {0.0} {} {} 120.33884 0.29394 0.56263 ++ {0.0} {} 0.0 0.2134 0 {} 0 203 {} 7.79317 0.02232 0.03638 ++ {0.0} {} {34.HB} 1.90774 0.06568 0.10744 ++ {0.0} {} {} 120.33621 0.27881 0.49569 ++ {0.0} {} 0.0 0.0825 0 {} 0 204 {} 7.79303 0.02303 0.03748 ++ {0.0} {} {34.HG12} 1.76345 0.06507 0.10506 ++ {0.0} {} {} 120.35775 0.28904 0.49885 ++ {0.0} {} 0.0 0.0669 0 {} 0 205 {} 7.79282 0.02069 0.03423 ++ {0.0} {} {34.HG13} 1.08146 0.07285 0.11284 ++ {0.0} {} {} 120.34084 0.29525 0.50072 ++ {0.0} {} 0.0 0.0603 0 {} 0 206 {} 7.79268 0.02292 0.05029 ++ {0.0} {} {} 0.87008 0.05227 0.09918 ++ {0.0} {} {} 120.33901 0.29707 0.57205 ++ {0.0} {} 0.0 0.2464 0 {} 0 207 {} 8.19586 0.02435 0.04437 ++ {0.0} {} {18.HD21} -1.03213 0.07902 0.12819 ++ {0.0} {} {} 119.01453 0.30539 0.53931 ++ {0.0} {} 0.0 0.0783 0 {} 0 208 {} 8.19326 0.02586 0.04608 ++ {0.0} {} {18.HD11} -0.56573 0.05530 0.10116 ++ {0.0} {} {} 119.01055 0.31293 0.56550 ++ {0.0} {} 0.0 0.0950 0 {} 0 209 {} 8.00172 0.02242 0.04070 ++ {0.0} {} {45.HA} 4.05827 0.06482 0.10265 ++ {0.0} {} {} 117.33125 0.30808 0.52383 ++ {0.0} {} 0.0 0.1195 0 {} 0 210 {} 8.00177 0.02136 0.04904 ++ {0.0} {} {45.HD3} 3.29008 0.05740 0.11224 ++ {0.0} {} {} 117.33017 0.29989 0.55613 ++ {0.0} {} 0.0 0.2460 0 {} 0 211 {} 8.00406 0.02823 0.04257 ++ {0.0} {} {} 1.98927 0.06817 0.09367 ++ {0.0} {} {} 117.33520 0.30532 0.46724 ++ {0.0} {} 0.0 0.0762 0 {} 0 212 {} 7.50021 0.02128 0.02322 ++ {0.0} {} {} 2.93548 0.06316 0.06965 ++ {0.0} {} {} 118.00799 0.29149 0.33177 ++ {0.0} {} 0.0 0.0415 0 {} 0 213 {} 7.50230 0.01792 0.01968 ++ {0.0} {} {} 2.64493 0.07948 0.08633 ++ {0.0} {} {} 118.00504 0.34546 0.39725 ++ {0.0} {} 0.0 0.0421 0 {} 0 214 {} 7.50452 0.01532 0.01730 ++ {0.0} {} {55.HB2} 2.32575 0.04871 0.05482 ++ {0.0} {} {} 118.00102 0.27934 0.31379 ++ {0.0} {} 0.0 0.0408 0 {} 0 215 {} 7.50061 0.02010 0.01971 ++ {0.0} {} {} 2.14332 0.08072 0.07881 ++ {0.0} {} {} 118.01069 0.29834 0.29000 ++ {0.0} {} 0.0 0.0348 0 {} 0 216 {} 7.49993 0.01669 0.01486 ++ {0.0} {} {} 1.82734 0.06120 0.05174 ++ {0.0} {} {} 118.03896 0.34807 0.28685 ++ {0.0} {} 0.0 0.0304 0 {} 0 217 {} 7.49927 0.01554 0.01254 ++ {0.0} {} {} 1.36673 0.05868 0.04773 ++ {0.0} {} {} 117.99521 0.27563 0.22498 ++ {0.0} {} 0.0 0.0302 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 HN . 'not observed' 6300 Hz . . . 4.777 . . 31057 5 2 . . H 1 H . 'not observed' 6300 Hz . . . 4.777 . . 31057 5 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN C13 N15 AbdA_hnca.nv 2580.9921875 4500.0 1300.01000977 599.664978027 150.792999268 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {62.H} 7.78947 0.02519 0.04557 ++ {0.0} {i.h} {62.ca} 56.85172 0.49952 0.91399 ++ {0.0} {i.ca} {62.N} 128.33946 0.32229 0.62650 ++ {0.0} {i.n} 0.0 0.8347 1 {} 0 1 {62.H} 7.78969 0.01614 0.01630 ++ {0.0} {i.h} {61.CA} 56.64896 0.39948 0.40315 ++ {0.0} {i-1.ca} {62.N} 128.36281 0.26545 0.26997 ++ {0.0} {i.n} 0.0 0.0476 1 {} 0 2 {37.H} 8.36439 0.02425 0.03628 ++ {0.0} {i.h} {36.CA} 64.70564 0.38392 0.56491 ++ {0.0} {i-1.ca} {37.N} 124.33887 0.29668 0.49386 ++ {0.0} {i.n} 0.0 0.1396 1 {} 0 3 {37.H} 8.36277 0.02199 0.04582 ++ {0.0} {i.h} {37.CA} 56.60492 0.43416 0.73637 ++ {0.0} {i.ca} {37.N} 124.34119 0.30206 0.57018 ++ {0.0} {i.n} 0.0 0.4169 1 {} 0 4 {5.H} 8.50028 0.02343 0.03538 ++ {0.0} {i.h} {5.CA} 56.24338 0.36840 0.46518 ++ {0.0} {i.ca} {5.N} 123.54734 0.31971 0.44351 ++ {0.0} {i.n} 0.0 0.0764 1 {} 0 5 {12.H} 9.09672 0.02081 0.01805 ++ {0.0} {i.h} {12.CA} 59.86904 0.24178 0.22379 ++ {0.0} {i.ca} {12.N} 123.35253 0.25334 0.22708 ++ {0.0} {i.n} 0.0 0.0424 1 {} 0 6 {18.H} 8.19059 0.02538 0.04746 ++ {0.0} {i.h} {18.CA} 58.42815 0.52202 0.89623 ++ {0.0} {i.ca} {18.N} 123.38997 0.34409 0.60665 ++ {0.0} {i.n} 0.0 0.1976 1 {} 0 7 {54.H} 8.15670 0.01880 0.04342 ++ {0.0} {i.h} {54.CA} 56.46635 0.36144 0.60793 ++ {0.0} {i.ca} {54.N} 123.01629 0.27121 0.51363 ++ {0.0} {i.n} 0.0 0.4413 1 {} 0 8 {54.H} 8.15477 0.01693 0.02964 ++ {0.0} {i.h} {53.CA} 55.70282 0.30174 0.41824 ++ {0.0} {i-1.ca} {54.N} 123.01934 0.25225 0.41340 ++ {0.0} {i.n} 0.0 0.1297 1 {} 0 9 {30.H} 8.85697 0.02885 0.05977 ++ {0.0} {i.h} {30.CA} 60.32447 0.41436 0.65700 ++ {0.0} {i.ca} {30.N} 122.67785 0.29266 0.52556 ++ {0.0} {i.n} 0.0 0.2293 1 {} 0 10 {8.H} 8.55799 0.04000 0.04404 ++ {0.0} {i.h} {8.CA} 55.79180 0.52593 0.58279 ++ {0.0} {i.ca} {8.N} 122.58234 0.35793 0.41450 ++ {0.0} {i.n} 0.0 0.0556 1 {} 0 11 {50.H} 8.15887 0.02223 0.03342 ++ {0.0} {i.h} {49.CA} 64.47957 0.34304 0.50006 ++ {0.0} {i-1.ca} {50.N} 122.34354 0.27711 0.46412 ++ {0.0} {i.n} 0.0 0.1440 1 {} 0 12 {50.H} 8.15441 0.02119 0.04934 ++ {0.0} {i.h} {50.CA} 63.36188 0.45319 0.74576 ++ {0.0} {i.ca} {50.N} 122.33523 0.31192 0.57390 ++ {0.0} {i.n} 0.0 0.2926 1 {} 0 13 {61.H} 8.24090 0.02560 0.05142 ++ {0.0} {i.h} {61.CA} 56.63513 0.41444 0.72511 ++ {0.0} {i.ca} {61.N} 122.00538 0.29481 0.57540 ++ {0.0} {i.n} 0.0 0.9714 1 {} 0 14 {48.H} 8.55891 0.02415 0.03688 ++ {0.0} {i.h} {47.CA} 64.13390 0.40553 0.58970 ++ {0.0} {i-1.ca} {48.N} 121.65612 0.32226 0.49820 ++ {0.0} {i.n} 0.0 0.1031 1 {} 0 15 {48.H} 8.55383 0.02303 0.05020 ++ {0.0} {i.h} {48.CA} 60.26054 0.42587 0.70645 ++ {0.0} {i.ca} {48.N} 121.65260 0.32552 0.60037 ++ {0.0} {i.n} 0.0 0.3009 1 {} 0 16 {39.H} 8.17935 0.02079 0.03513 ++ {0.0} {i.h} {38.CA} 58.48284 0.37321 0.57817 ++ {0.0} {i-1.ca} {39.N} 121.65309 0.27575 0.47903 ++ {0.0} {i.n} 0.0 0.1782 1 {} 0 17 {28.H} 8.41361 0.02365 0.04247 ++ {0.0} {i.h} {27.CA} 56.81475 0.36565 0.54696 ++ {0.0} {i-1.ca} {28.N} 121.68004 0.28576 0.47363 ++ {0.0} {i.n} 0.0 0.1367 1 {} 0 18 {39.H} 8.17886 0.02109 0.04887 ++ {0.0} {i.h} {39.CA} 55.19641 0.39119 0.70617 ++ {0.0} {i.ca} {39.N} 121.66956 0.28154 0.53870 ++ {0.0} {i.n} 0.0 0.5407 1 {} 0 19 {28.H} 8.40736 0.02243 0.04784 ++ {0.0} {i.h} {28.CA} 53.43250 0.41171 0.66232 ++ {0.0} {i.ca} {28.N} 121.68654 0.31244 0.56527 ++ {0.0} {i.n} 0.0 0.2455 1 {} 0 20 {22.H} 9.05085 0.02390 0.04187 ++ {0.0} {i.h} {22.CA} 60.74910 0.36198 0.60662 ++ {0.0} {i.ca} {22.N} 121.33989 0.27875 0.51707 ++ {0.0} {i.n} 0.0 0.3230 1 {} 0 21 {22.H} 9.05044 0.02363 0.03432 ++ {0.0} {i.h} {21.CA} 59.20269 0.36917 0.52655 ++ {0.0} {i-1.ca} {22.N} 121.33800 0.26312 0.43192 ++ {0.0} {i.n} 0.0 0.1306 1 {} 0 22 {} 8.16515 0.00696 0.00689 ++ {0.0} {} {} 56.22970 0.16705 0.16548 ++ {0.0} {} {} 121.34728 0.19044 0.18864 ++ {0.0} {} 0.0 0.0464 1 {} 0 23 {16.H} 8.22525 0.02252 0.03202 ++ {0.0} {i.h} {15.CA} 67.36751 0.48872 0.68923 ++ {0.0} {i-1.ca} {16.N} 120.99710 0.29193 0.43936 ++ {0.0} {i.n} 0.0 0.0946 1 {} 0 24 {16.H} 8.22648 0.02438 0.05032 ++ {0.0} {i.h} {16.CA} 58.34885 0.38779 0.68510 ++ {0.0} {i.ca} {16.N} 121.00924 0.29188 0.55587 ++ {0.0} {i.n} 0.0 0.4901 1 {} 0 25 {60.H} 8.08661 0.02628 0.05389 ++ {0.0} {i.h} {60.CA} 56.70730 0.55749 1.03834 ++ {0.0} {i.ca} {60.N} 121.00693 0.30473 0.57934 ++ {0.0} {i.n} 0.0 0.4738 1 {} 0 26 {36.H} 8.66649 0.02508 0.05226 ++ {0.0} {i.h} {36.CA} 64.71053 0.38723 0.65736 ++ {0.0} {i.ca} {36.N} 120.68046 0.30478 0.57178 ++ {0.0} {i.n} 0.0 0.3778 1 {} 0 27 {47.H} 8.02089 0.02396 0.05252 ++ {0.0} {i.h} {47.CA} 64.11716 0.44897 0.71470 ++ {0.0} {i.ca} {47.N} 120.63031 0.33113 0.59645 ++ {0.0} {i.n} 0.0 0.2357 1 {} 0 28 {10.H} 8.16699 0.02444 0.03742 ++ {0.0} {i.h} {9.CA} 62.01598 0.38305 0.53571 ++ {0.0} {i-1.ca} {10.N} 120.68037 0.30375 0.49068 ++ {0.0} {i.n} 0.0 0.1218 1 {} 0 29 {44.H} 9.13865 0.01453 0.02129 ++ {0.0} {i.h} {44.CA} 61.15563 0.22518 0.35622 ++ {0.0} {i.ca} {44.N} 120.64888 0.28858 0.44964 ++ {0.0} {i.n} 0.0 0.1060 1 {} 0 30 {44.H} 9.14337 0.02283 0.02933 ++ {0.0} {i.h} {43.CA} 60.44817 0.38082 0.50076 ++ {0.0} {i-1.ca} {44.N} 120.62310 0.32485 0.48649 ++ {0.0} {i.n} 0.0 0.0932 1 {} 0 31 {36.H} 8.66159 0.02591 0.03852 ++ {0.0} {i.h} {} 59.74075 0.43088 0.62802 ++ {0.0} {i-1.ca} {36.N} 120.68027 0.30804 0.50000 ++ {0.0} {i.n} 0.0 0.1243 1 {} 0 32 {47.H} 8.02252 0.01727 0.02290 ++ {0.0} {i.h} {46.CA} 59.50079 0.38351 0.51226 ++ {0.0} {i-1.ca} {47.N} 120.64373 0.31956 0.47623 ++ {0.0} {i.n} 0.0 0.0919 1 {} 0 33 {10.H} 8.16516 0.02672 0.05522 ++ {0.0} {i.h} {10.CA} 56.86408 0.38376 0.67037 ++ {0.0} {i.ca} {10.N} 120.68777 0.31044 0.59017 ++ {0.0} {i.n} 0.0 0.4735 1 {} 0 34 {7.H} 8.28945 0.01868 0.02668 ++ {0.0} {i.h} {7.CA} 56.13703 0.32721 0.44648 ++ {0.0} {i.ca} {7.N} 120.71058 0.31833 0.46894 ++ {0.0} {i.n} 0.0 0.0889 1 {} 0 35 {} 9.13941 0.01491 0.02112 ++ {0.0} {} {} 61.41305 0.31499 0.45265 ++ {0.0} {} {} 120.40696 0.30407 0.50318 ++ {0.0} {} 0.0 0.1357 1 {} 0 36 {} 9.13447 0.00837 0.02126 ++ {0.0} {} {} 60.57639 0.25611 0.35591 ++ {0.0} {} {} 120.35130 0.30323 0.45385 ++ {0.0} {} 0.0 0.0931 1 {} 0 37 {20.H} 7.77495 0.02473 0.05773 ++ {0.0} {i.h} {20.CA} 59.81864 0.47128 0.85319 ++ {0.0} {i.ca} {20.N} 120.34046 0.30239 0.58709 ++ {0.0} {i.n} 0.0 0.8005 1 {} 0 38 {} 7.48112 0.01000 0.01036 ++ {0.0} {} {} 56.80707 0.27523 0.27961 ++ {0.0} {} {} 120.38049 0.15792 0.16366 ++ {0.0} {} 0.0 0.0486 1 {} 0 39 {42.H} 8.27567 0.02051 0.03777 ++ {0.0} {i.h} {41.CA} 60.40031 0.34299 0.51077 ++ {0.0} {i-1.ca} {42.N} 120.00552 0.26015 0.40242 ++ {0.0} {i.n} 0.0 0.1033 1 {} 0 40 {21.H} 7.88623 0.01185 0.01693 ++ {0.0} {i.h} {20.CA} 59.90889 0.40392 0.57703 ++ {0.0} {i-1.ca} {21.N} 119.99525 0.27248 0.36991 ++ {0.0} {i.n} 0.0 0.0729 1 {} 0 41 {21.H} 7.89239 0.02746 0.05325 ++ {0.0} {i.h} {21.CA} 59.17108 0.47735 0.74892 ++ {0.0} {i.ca} {21.N} 119.99985 0.30890 0.57278 ++ {0.0} {i.n} 0.0 0.3214 1 {} 0 42 {42.H} 8.27057 0.03178 0.05717 ++ {0.0} {i.h} {42.CA} 52.81319 0.45406 0.79942 ++ {0.0} {i.ca} {42.N} 120.00453 0.29882 0.56494 ++ {0.0} {i.n} 0.0 0.4280 1 {} 0 43 {49.H} 8.58788 0.02275 0.03962 ++ {0.0} {i.h} {49.CA} 64.40096 0.43914 0.69142 ++ {0.0} {i.ca} {49.N} 119.56908 0.33230 0.58395 ++ {0.0} {i.n} 0.0 0.1930 1 {} 0 44 {49.H} 8.59502 0.02739 0.03037 ++ {0.0} {i.h} {48.CA} 60.23513 0.44133 0.52444 ++ {0.0} {i-1.ca} {49.N} 119.56838 0.33898 0.41929 ++ {0.0} {i.n} 0.0 0.0614 1 {} 0 45 {58.H} 7.48650 0.01834 0.04010 ++ {0.0} {i.h} {57.CA} 57.43185 0.24758 0.41013 ++ {0.0} {i-1.ca} {58.N} 119.69775 0.25363 0.44176 ++ {0.0} {i.n} 0.0 0.1813 1 {} 0 46 {59.H} 7.88231 0.02107 0.04622 ++ {0.0} {i.h} {59.CA} 57.02070 0.33412 0.57035 ++ {0.0} {i.ca} {59.N} 119.70052 0.30747 0.57892 ++ {0.0} {i.n} 0.0 0.3997 1 {} 0 47 {59.H} 7.87719 0.01186 0.02263 ++ {0.0} {i.h} {58.CA} 56.17295 0.32116 0.45823 ++ {0.0} {i-1.ca} {59.N} 119.67303 0.26624 0.45496 ++ {0.0} {i.n} 0.0 0.1608 1 {} 0 48 {58.H} 7.48365 0.01811 0.05320 ++ {0.0} {i.h} {58.CA} 56.13268 0.38605 0.63454 ++ {0.0} {i.ca} {58.N} 119.68911 0.30851 0.58403 ++ {0.0} {i.n} 0.0 0.4379 1 {} 0 49 {} 8.18758 0.02037 0.03080 ++ {0.0} {} {} 63.57572 0.37184 0.53647 ++ {0.0} {} {} 119.34061 0.27049 0.43498 ++ {0.0} {} 0.0 0.1195 1 {} 0 50 {33.H} 8.47281 0.02404 0.05162 ++ {0.0} {i.h} {33.CA} 60.80195 0.41199 0.71819 ++ {0.0} {i.ca} {33.N} 119.34308 0.30963 0.58450 ++ {0.0} {i.n} 0.0 0.4170 1 {} 0 51 {32.H} 7.71197 0.01572 0.02400 ++ {0.0} {i.h} {31.CA} 59.34571 0.28035 0.38249 ++ {0.0} {i-1.ca} {32.N} 119.32037 0.28288 0.43163 ++ {0.0} {i.n} 0.0 0.0988 1 {} 0 52 {33.H} 8.47191 0.02154 0.03960 ++ {0.0} {i.h} {32.CA} 57.40047 0.38758 0.56973 ++ {0.0} {i-1.ca} {33.N} 119.32999 0.28730 0.49259 ++ {0.0} {i.n} 0.0 0.1641 1 {} 0 53 {32.H} 7.70161 0.02550 0.04297 ++ {0.0} {i.h} {32.CA} 57.39293 0.45629 0.72428 ++ {0.0} {i.ca} {32.N} 119.24497 0.33656 0.59978 ++ {0.0} {i.n} 0.0 0.2149 1 {} 0 54 {} 7.48838 0.00512 0.00451 ++ {0.0} {} {} 56.93723 0.09140 0.08050 ++ {0.0} {} {} 119.31988 0.16283 0.14342 ++ {0.0} {} 0.0 0.0418 1 {} 0 55 {26.H} 8.64299 0.01864 0.03213 ++ {0.0} {i.h} {} 54.79421 0.31807 0.41044 ++ {0.0} {i.ca} {26.N} 119.36446 0.30986 0.43294 ++ {0.0} {i.n} 0.0 0.0777 1 {} 0 56 {26.H} 8.64198 0.02200 0.02718 ++ {0.0} {i.h} {25.CA} 53.19659 0.39218 0.46432 ++ {0.0} {i-1.ca} {26.N} 119.38211 0.30578 0.39676 ++ {0.0} {i.n} 0.0 0.0667 1 {} 0 57 {52.H} 8.21940 0.02253 0.03863 ++ {0.0} {i.h} {51.CA} 63.54951 0.42046 0.65138 ++ {0.0} {i-1.ca} {52.N} 119.00175 0.28671 0.49508 ++ {0.0} {i.n} 0.0 0.1714 1 {} 0 58 {51.H} 9.00504 0.02880 0.04967 ++ {0.0} {i.h} {51.CA} 63.50437 0.45245 0.68478 ++ {0.0} {i.ca} {51.N} 119.11548 0.34661 0.58686 ++ {0.0} {i.n} 0.0 0.1526 1 {} 0 59 {52.H} 8.21835 0.02248 0.04624 ++ {0.0} {i.h} {52.CA} 59.56443 0.42627 0.71683 ++ {0.0} {i.ca} {52.N} 119.00070 0.29540 0.56216 ++ {0.0} {i.n} 0.0 0.4832 1 {} 0 60 {19.H} 8.18080 0.01744 0.05737 ++ {0.0} {i.h} {19.CA} 59.27054 0.38203 0.61488 ++ {0.0} {i.ca} {19.N} 119.00563 0.29252 0.54861 ++ {0.0} {i.n} 0.0 0.3760 1 {} 0 61 {17.H} 7.73175 0.02162 0.04035 ++ {0.0} {i.h} {17.CA} 58.71016 0.46390 0.87013 ++ {0.0} {i.ca} {17.N} 118.98464 0.31671 0.59135 ++ {0.0} {i.n} 0.0 0.3525 1 {} 0 62 {19.H} 8.17909 0.01398 0.02673 ++ {0.0} {i.h} {18.CA} 58.43455 0.31906 0.44784 ++ {0.0} {i-1.ca} {19.N} 119.00496 0.27253 0.44859 ++ {0.0} {i.n} 0.0 0.1323 1 {} 0 63 {45.H} 8.34203 0.01629 0.03068 ++ {0.0} {i.h} {44.CA} 61.32150 0.38521 0.58766 ++ {0.0} {i-1.ca} {45.N} 118.67776 0.30816 0.50072 ++ {0.0} {i.n} 0.0 0.1249 1 {} 0 64 {45.H} 8.34061 0.02397 0.05096 ++ {0.0} {i.h} {45.CA} 59.66511 0.42480 0.73070 ++ {0.0} {i.ca} {45.N} 118.67756 0.31714 0.59631 ++ {0.0} {i.n} 0.0 0.3911 1 {} 0 65 {34.H} 7.97081 0.02301 0.04375 ++ {0.0} {i.h} {34.CA} 65.41007 0.41614 0.69210 ++ {0.0} {i.ca} {34.N} 118.26351 0.32922 0.58753 ++ {0.0} {i.n} 0.0 0.2174 1 {} 0 66 {34.H} 7.97004 0.02273 0.03702 ++ {0.0} {i.h} {33.CA} 60.82563 0.30415 0.40416 ++ {0.0} {i-1.ca} {34.N} 118.31709 0.28885 0.46036 ++ {0.0} {i.n} 0.0 0.1153 1 {} 0 67 {57.H} 7.35762 0.02704 0.05734 ++ {0.0} {i.h} {57.CA} 57.47756 0.50426 0.90376 ++ {0.0} {i.ca} {57.N} 118.33303 0.30277 0.57811 ++ {0.0} {i.n} 0.0 0.5170 1 {} 0 68 {13.H} 8.41913 0.01803 0.04680 ++ {0.0} {i.h} {13.CA} 61.37922 0.39551 0.64398 ++ {0.0} {i.ca} {13.N} 118.00864 0.31251 0.58374 ++ {0.0} {i.n} 0.0 0.3545 1 {} 0 69 {} 7.96752 0.01778 0.01911 ++ {0.0} {} {} 61.11260 0.21718 0.23628 ++ {0.0} {} {} 118.01125 0.24410 0.27305 ++ {0.0} {} 0.0 0.0531 1 {} 0 70 {} 7.96820 0.01595 0.02852 ++ {0.0} {} {} 60.53247 0.19993 0.31137 ++ {0.0} {} {} 117.98882 0.26445 0.41359 ++ {0.0} {} 0.0 0.1074 1 {} 0 71 {56.H} 7.48137 0.02384 0.03617 ++ {0.0} {i.h} {55.CA} 60.18353 0.40400 0.57886 ++ {0.0} {i-1.ca} {56.N} 118.00853 0.30440 0.49148 ++ {0.0} {i.n} 0.0 0.1215 1 {} 0 72 {13.H} 8.41804 0.01314 0.02378 ++ {0.0} {i.h} {12.CA} 59.83712 0.37303 0.55664 ++ {0.0} {i-1.ca} {13.N} 118.01882 0.29385 0.49464 ++ {0.0} {i.n} 0.0 0.1479 1 {} 0 73 {53.H} 8.31239 0.01957 0.03265 ++ {0.0} {i.h} {52.CA} 59.54320 0.37194 0.55602 ++ {0.0} {i-1.ca} {53.N} 118.00631 0.28104 0.48771 ++ {0.0} {i.n} 0.0 0.1770 1 {} 0 74 {56.H} 7.48598 0.02252 0.04931 ++ {0.0} {i.h} {56.CA} 57.74314 0.40624 0.67441 ++ {0.0} {i.ca} {56.N} 118.01029 0.31242 0.59046 ++ {0.0} {i.n} 0.0 0.4256 1 {} 0 75 {53.H} 8.31573 0.01916 0.04283 ++ {0.0} {i.h} {53.CA} 55.71032 0.40207 0.67272 ++ {0.0} {i.ca} {53.N} 117.99932 0.29332 0.55665 ++ {0.0} {i.n} 0.0 0.4581 1 {} 0 76 {55.H} 7.96413 0.02407 0.05338 ++ {0.0} {i.h} {55.CA} 60.17458 0.35883 0.60990 ++ {0.0} {i.ca} {55.N} 117.66254 0.27661 0.52234 ++ {0.0} {i.n} 0.0 0.4196 1 {} 0 77 {} 7.63057 0.01107 0.01728 ++ {0.0} {} {} 58.81948 0.24241 0.30855 ++ {0.0} {} {} 117.65391 0.26510 0.35107 ++ {0.0} {} 0.0 0.0693 1 {} 0 78 {55.H} 7.96258 0.02406 0.03682 ++ {0.0} {i.h} {54.CA} 56.46262 0.37932 0.55688 ++ {0.0} {i-1.ca} {55.N} 117.67868 0.27760 0.45405 ++ {0.0} {i.n} 0.0 0.1285 1 {} 0 79 {9.H} 8.17777 0.03173 0.06208 ++ {0.0} {i.h} {9.CA} 62.06671 0.36088 0.50426 ++ {0.0} {i.ca} {9.N} 117.33499 0.27787 0.44604 ++ {0.0} {i.n} 0.0 0.1186 1 {} 0 80 {41.H} 8.00634 0.01507 0.03153 ++ {0.0} {i.h} {41.CA} 60.46864 0.34658 0.56987 ++ {0.0} {i.ca} {41.N} 117.34521 0.31829 0.58624 ++ {0.0} {i.n} 0.0 0.2961 1 {} 0 81 {24.H} 7.62333 0.02179 0.04433 ++ {0.0} {i.h} {24.CA} 59.81900 0.31386 0.54503 ++ {0.0} {i.ca} {24.N} 117.35201 0.30504 0.55757 ++ {0.0} {i.n} 0.0 0.2720 1 {} 0 82 {} 7.99052 0.02106 0.05078 ++ {0.0} {} {} 59.53935 0.42339 0.72065 ++ {0.0} {} {} 117.33133 0.29218 0.56061 ++ {0.0} {} 0.0 0.5758 -1 {} 0 83 {24.H} 7.61002 0.00629 0.01489 ++ {0.0} {i.h} {23.CA} 58.89460 0.38878 0.42420 ++ {0.0} {i-1.ca} {24.N} 117.34470 0.30541 0.36249 ++ {0.0} {i.n} 0.0 0.0576 1 {} 0 84 {9.H} 8.16727 0.01185 0.01693 ++ {0.0} {i.h} {8.CA} 55.65669 0.29140 0.30542 ++ {0.0} {i-1.ca} {9.N} 117.33519 0.26748 0.28238 ++ {0.0} {i.n} 0.0 0.0496 1 {} 0 85 {41.H} 8.00744 0.02576 0.03175 ++ {0.0} {i.h} {40.CA} 54.34219 0.39426 0.52985 ++ {0.0} {i-1.ca} {41.N} 117.34141 0.32215 0.47892 ++ {0.0} {i.n} 0.0 0.0912 1 {} 0 86 {25.H} 8.33009 0.01397 0.02443 ++ {0.0} {i.h} {24.CA} 59.77095 0.28308 0.44460 ++ {0.0} {i-1.ca} {25.N} 116.67656 0.22257 0.38536 ++ {0.0} {i.n} 0.0 0.1744 1 {} 0 87 {25.H} 8.33458 0.02592 0.05168 ++ {0.0} {i.h} {25.CA} 53.27726 0.43524 0.74173 ++ {0.0} {i.ca} {25.N} 116.66290 0.29855 0.56952 ++ {0.0} {i.n} 0.0 0.5069 1 {} 0 88 {14.H} 7.75986 0.02399 0.03924 ++ {0.0} {i.h} {13.CA} 61.37288 0.35832 0.52093 ++ {0.0} {i-1.ca} {14.N} 115.99037 0.26912 0.46042 ++ {0.0} {i.n} 0.0 0.1620 1 {} 0 89 {31.H} 8.32697 0.01951 0.03690 ++ {0.0} {i.h} {30.CA} 60.41652 0.31373 0.50661 ++ {0.0} {i-1.ca} {31.N} 115.99814 0.25939 0.46436 ++ {0.0} {i.n} 0.0 0.2233 1 {} 0 90 {31.H} 8.32912 0.02360 0.05144 ++ {0.0} {i.h} {31.CA} 59.27106 0.45079 0.75236 ++ {0.0} {i.ca} {31.N} 115.99174 0.29830 0.57079 ++ {0.0} {i.n} 0.0 0.5413 1 {} 0 91 {14.H} 7.76158 0.02121 0.04648 ++ {0.0} {i.h} {14.CA} 59.27999 0.42132 0.71170 ++ {0.0} {i.ca} {14.N} 115.99187 0.29774 0.55707 ++ {0.0} {i.n} 0.0 0.3630 1 {} 0 92 {} 7.99478 0.00764 0.00786 ++ {0.0} {} {} 57.33318 0.12245 0.12599 ++ {0.0} {} {} 115.34341 0.17644 0.18154 ++ {0.0} {} 0.0 0.0482 1 {} 0 93 {27.H} 7.98689 0.03222 0.04955 ++ {0.0} {i.h} {27.CA} 56.84883 0.37095 0.62985 ++ {0.0} {i.ca} {27.N} 114.96054 0.31296 0.57603 ++ {0.0} {i.n} 0.0 0.2938 1 {} 0 94 {27.H} 7.98657 0.02129 0.02234 ++ {0.0} {i.h} {} 54.71473 0.42565 0.43313 ++ {0.0} {i-1.ca} {27.N} 114.97367 0.33373 0.34330 ++ {0.0} {i.n} 0.0 0.0482 1 {} 0 95 {11.H} 9.18928 0.02823 0.05197 ++ {0.0} {i.h} {11.CA} 61.07932 0.44305 0.69654 ++ {0.0} {i.ca} {11.N} 114.57712 0.33449 0.59121 ++ {0.0} {i.n} 0.0 0.2014 1 {} 0 96 {11.H} 9.18853 0.03426 0.03760 ++ {0.0} {i.h} {10.CA} 56.88531 0.46622 0.53706 ++ {0.0} {i-1.ca} {11.N} 114.57151 0.32498 0.39855 ++ {0.0} {i.n} 0.0 0.0605 1 {} 0 97 {23.H} 7.92435 0.01674 0.02780 ++ {0.0} {i.h} {22.CA} 60.78981 0.38171 0.52562 ++ {0.0} {i-1.ca} {23.N} 114.31062 0.26416 0.43263 ++ {0.0} {i.n} 0.0 0.1293 1 {} 0 98 {23.H} 7.92704 0.02286 0.04635 ++ {0.0} {i.h} {23.CA} 58.86246 0.44660 0.76069 ++ {0.0} {i.ca} {23.N} 114.31493 0.30085 0.56827 ++ {0.0} {i.n} 0.0 0.4214 1 {} 0 99 {38.H} 8.01541 0.02303 0.05016 ++ {0.0} {i.h} {38.CA} 58.45213 0.39777 0.67489 ++ {0.0} {i.ca} {38.N} 114.31557 0.30103 0.57110 ++ {0.0} {i.n} 0.0 0.4554 1 {} 0 100 {38.H} 8.01952 0.02006 0.03289 ++ {0.0} {i.h} {37.CA} 56.57936 0.40269 0.60573 ++ {0.0} {i-1.ca} {38.N} 114.32279 0.27513 0.47243 ++ {0.0} {i.n} 0.0 0.1655 1 {} 0 101 {15.H} 8.52358 0.02604 0.04531 ++ {0.0} {i.h} {15.CA} 67.37373 0.47537 0.77116 ++ {0.0} {i.ca} {15.N} 113.62196 0.32896 0.57548 ++ {0.0} {i.n} 0.0 0.1869 1 {} 0 102 {15.H} 8.52672 0.02304 0.03553 ++ {0.0} {i.h} {14.CA} 59.25521 0.35974 0.51855 ++ {0.0} {i-1.ca} {15.N} 113.63316 0.29792 0.48711 ++ {0.0} {i.n} 0.0 0.1283 1 {} 0 103 {40.H} 8.39333 0.02522 0.03831 ++ {0.0} {i.h} {39.CA} 55.17538 0.34035 0.47868 ++ {0.0} {i-1.ca} {40.N} 112.99920 0.27130 0.43715 ++ {0.0} {i.n} 0.0 0.1205 1 {} 0 104 {40.H} 8.39477 0.02753 0.05120 ++ {0.0} {i.h} {40.CA} 54.38088 0.39191 0.67512 ++ {0.0} {i.ca} {40.N} 112.99144 0.29419 0.55060 ++ {0.0} {i.n} 0.0 0.3647 1 {} 0 105 {29.H} 7.63729 0.02506 0.04222 ++ {0.0} {i.h} {29.CA} 60.39774 0.43122 0.67045 ++ {0.0} {i.ca} {29.N} 111.77299 0.33347 0.58458 ++ {0.0} {i.n} 0.0 0.1896 1 {} 0 106 {29.H} 7.63346 0.02766 0.03264 ++ {0.0} {i.h} {28.CA} 53.34744 0.35141 0.42609 ++ {0.0} {i-1.ca} {29.N} 111.73321 0.33164 0.43083 ++ {0.0} {i.n} 0.0 0.0668 1 {} 0 107 {43.H} 8.76068 0.02395 0.05764 ++ {0.0} {i.h} {43.CA} 60.45465 0.39428 0.65649 ++ {0.0} {i.ca} {43.N} 109.32593 0.32205 0.59548 ++ {0.0} {i.n} 0.0 0.3102 1 {} 0 108 {43.H} 8.76296 0.02081 0.03287 ++ {0.0} {i.h} {42.CA} 52.83945 0.38707 0.53873 ++ {0.0} {i-1.ca} {43.N} 109.32923 0.28903 0.44106 ++ {0.0} {i.n} 0.0 0.0988 1 {} 0 109 {} 7.52798 0.01375 0.01560 ++ {0.0} {} {} 63.55797 0.45568 0.50936 ++ {0.0} {} {} 112.34565 0.29896 0.33861 ++ {0.0} {} 0.0 0.0198 1 {} 0 110 {} 7.54853 0.00988 0.00932 ++ {0.0} {} {} 63.31646 0.50473 0.48434 ++ {0.0} {} {} 110.65127 0.30091 0.28518 ++ {0.0} {} 0.0 0.0204 1 {} 0 111 {} 9.30184 0.01433 0.02202 ++ {0.0} {} {} 70.28774 0.50054 0.80103 ++ {0.0} {} {} 109.95364 0.31674 0.43920 ++ {0.0} {} 0.0 0.0280 1 {} 0 112 {} 9.30333 0.00720 0.00915 ++ {0.0} {} {} 69.55403 0.51725 0.70655 ++ {0.0} {} {} 109.97314 0.29346 0.37300 ++ {0.0} {} 0.0 0.0236 1 {} 0 113 {} 8.46897 0.00458 0.01421 ++ {0.0} {} {} 56.36182 0.38638 0.47980 ++ {0.0} {} {} 110.60949 0.27564 0.37135 ++ {0.0} {} 0.0 0.0263 1 {} 0 114 {} 8.47124 0.01259 0.02185 ++ {0.0} {} {} 45.19277 0.29644 0.35830 ++ {0.0} {} {} 110.62709 0.28678 0.38969 ++ {0.0} {} 0.0 0.0268 1 {} 0 115 {35.H} 7.77776 0.01887 0.04379 ++ {0.0} {i.h} {} 65.40970 0.37814 0.63502 ++ {0.0} {i.ca} {35.N} 120.33800 0.27462 0.50702 ++ {0.0} {i.n} 0.0 0.1746 0 {} 0 116 {12.H} 9.08275 0.02087 0.03288 ++ {0.0} {i.h} {11.CA} 61.02529 0.31843 0.44800 ++ {0.0} {i-1.ca} {12.N} 123.35372 0.26496 0.42623 ++ {0.0} {i.n} 0.0 0.0439 0 {} 0 117 {4.H} 8.60517 0.01677 0.04909 ++ {0.0} {i.h} {4.CA} 56.35887 0.27380 0.44825 ++ {0.0} {i.ca} {4.N} 123.69699 0.25409 0.42537 ++ {0.0} {i.n} 0.0 0.0736 0 {} 0 118 {46.H} 7.99052 0.02106 0.05832 ++ {0.0} {i.h} {46.CA} 59.53935 0.42339 0.74208 ++ {0.0} {i.ca} {46.N} 117.33133 0.29218 0.57347 ++ {0.0} {i.n} 0.0 0.5758 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 HN . 'not observed' 6300 Hz . . . 4.773 . . 31057 6 2 . . C 13 CA . 'not observed' 4500 Hz . . . 56.000 . . 31057 6 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 6 stop_ save_ save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN C13 N15 AbdA_hncacb.nv 2580.9921875 10500.0 1300.01000977 599.664978027 150.792007446 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {62.H} 7.79118 0.02520 0.04266 ++ {0.0} {i.h} {62.CB} 43.56187 0.65875 1.11097 ++ {0.0} {i.cb} {62.N} 128.33910 0.31911 0.59930 ++ {0.0} {i.n} 0.0 -0.3421 1 {} 0 1 {62.H} 7.79476 0.02184 0.03435 ++ {0.0} {i.h} {61.CB} 30.40489 0.60905 0.97030 ++ {0.0} {i-1.cb} {62.N} 128.34334 0.30655 0.52038 ++ {0.0} {i.n} 0.0 -0.1380 1 {} 0 2 {37.H} 8.37184 0.02083 0.01910 ++ {0.0} {i.h} {36.CB} 38.01930 0.66944 0.61856 ++ {0.0} {i-1.cb} {37.N} 124.32700 0.31613 0.28241 ++ {0.0} {i.n} 0.0 -0.0377 1 {} 0 3 {37.H} 8.36951 0.02204 0.03304 ++ {0.0} {i.h} {37.CB} 17.48578 0.62049 0.95238 ++ {0.0} {i.cb} {37.N} 124.34199 0.30187 0.49587 ++ {0.0} {i.n} 0.0 -0.1168 1 {} 0 4 {18.H} 8.18956 0.02566 0.03348 ++ {0.0} {i.h} {18.CB} 37.74354 0.74953 0.86388 ++ {0.0} {i.cb} {18.N} 123.42822 0.35591 0.43410 ++ {0.0} {i.n} 0.0 -0.0535 1 {} 0 5 {5.H} 8.50168 0.02829 0.04314 ++ {0.0} {i.h} {5.CB} 31.02421 0.74983 1.06229 ++ {0.0} {i.cb} {5.N} 123.40618 0.43561 0.69368 ++ {0.0} {i.n} 0.0 -0.1024 1 {} 0 6 {18.H} 8.18999 0.01692 0.00414 ++ {0.0} {i.h} {17.CB} 30.27748 0.78054 0.29058 ++ {0.0} {i-1.cb} {18.N} 123.41441 0.29805 0.05353 ++ {0.0} {i.n} 0.0 -0.0229 1 {} 0 7 {54.H} 8.15552 0.02053 0.02444 ++ {0.0} {i.h} {53.CB} 37.74203 0.60661 0.72378 ++ {0.0} {i-1.cb} {54.N} 123.02465 0.28323 0.34986 ++ {0.0} {i.n} 0.0 -0.0546 1 {} 0 8 {54.H} 8.15963 0.02214 0.03263 ++ {0.0} {i.h} {54.CB} 28.35701 0.70511 1.03671 ++ {0.0} {i.cb} {54.N} 123.01542 0.29934 0.48070 ++ {0.0} {i.n} 0.0 -0.1059 1 {} 0 9 {30.H} 8.85540 0.02391 0.02607 ++ {0.0} {i.h} {30.CB} 29.44214 0.67061 0.71429 ++ {0.0} {i.cb} {30.N} 122.68266 0.30429 0.33326 ++ {0.0} {i.n} 0.0 -0.0461 1 {} 0 10 {8.H} 8.54890 0.02131 0.02007 ++ {0.0} {i.h} {8.CB} 29.44108 0.48128 0.45063 ++ {0.0} {i.cb} {8.N} 122.65408 0.33392 0.29979 ++ {0.0} {i.n} 0.0 -0.0379 1 {} 0 11 {50.H} 8.16186 0.00999 0.00662 ++ {0.0} {i.h} {49.CB} 38.32005 0.73461 0.55807 ++ {0.0} {i-1.cb} {50.N} 122.32716 0.30457 0.20200 ++ {0.0} {i.n} 0.0 -0.0312 1 {} 0 12 {8.H} 8.56102 0.01953 0.00840 ++ {0.0} {i.h} {7.CB} 30.96737 0.60389 0.34833 ++ {0.0} {i-1.cb} {8.N} 122.36801 0.29027 0.14119 ++ {0.0} {i.n} 0.0 -0.0276 1 {} 0 13 {50.H} 8.16336 0.01631 0.02154 ++ {0.0} {i.h} {50.CB} 29.31981 0.58337 0.79471 ++ {0.0} {i.cb} {50.N} 122.32124 0.30431 0.44252 ++ {0.0} {i.n} 0.0 -0.0764 1 {} 0 14 {61.H} 8.24551 0.02046 0.03343 ++ {0.0} {i.h} {60.CB} 33.08515 0.63883 0.94172 ++ {0.0} {i-1.cb} {61.N} 122.00492 0.28396 0.47407 ++ {0.0} {i.n} 0.0 -0.1262 1 {} 0 15 {61.H} 8.24296 0.02378 0.04235 ++ {0.0} {i.h} {61.CB} 30.41765 0.66510 1.15708 ++ {0.0} {i.cb} {61.N} 122.00734 0.29738 0.55249 ++ {0.0} {i.n} 0.0 -0.2935 1 {} 0 16 {28.H} 8.41235 0.03157 0.04195 ++ {0.0} {i.h} {28.CB} 44.53863 0.76918 1.08972 ++ {0.0} {i.cb} {28.N} 121.68446 0.30106 0.46476 ++ {0.0} {i.n} 0.0 -0.0915 1 {} 0 17 {28.H} 8.41346 0.02452 0.02466 ++ {0.0} {i.h} {27.CB} 41.10759 0.84462 0.84946 ++ {0.0} {i-1.cb} {28.N} 121.67968 0.29108 0.29351 ++ {0.0} {i.n} 0.0 -0.0421 1 {} 0 18 {48.H} 8.56437 0.02123 0.01806 ++ {0.0} {i.h} {47.CB} 36.66523 0.64488 0.52742 ++ {0.0} {i-1.cb} {48.N} 121.67367 0.32923 0.24970 ++ {0.0} {i.n} 0.0 -0.0336 1 {} 0 19 {48.H} 8.56027 0.02438 0.03378 ++ {0.0} {i.h} {48.CB} 33.23431 0.74154 1.00945 ++ {0.0} {i.cb} {48.N} 121.65302 0.31661 0.49451 ++ {0.0} {i.n} 0.0 -0.0952 1 {} 0 20 {39.H} 8.18713 0.01769 0.01933 ++ {0.0} {i.h} {38.CB} 29.14101 0.67718 0.72686 ++ {0.0} {i-1.cb} {39.N} 121.66530 0.29079 0.32281 ++ {0.0} {i.n} 0.0 -0.0469 1 {} 0 21 {39.H} 8.18620 0.02209 0.03822 ++ {0.0} {i.h} {39.CB} 18.78766 0.68997 1.05346 ++ {0.0} {i.cb} {39.N} 121.67738 0.29227 0.50744 ++ {0.0} {i.n} 0.0 -0.1582 1 {} 0 22 {22.H} 9.05678 0.02058 0.03098 ++ {0.0} {i.h} {22.CB} 39.21635 0.70275 0.96252 ++ {0.0} {i.cb} {22.N} 121.33662 0.29446 0.44146 ++ {0.0} {i.n} 0.0 -0.0833 1 {} 0 23 {22.H} 9.05610 0.01562 0.01162 ++ {0.0} {i.h} {21.CB} 28.89353 0.66219 0.51943 ++ {0.0} {i-1.cb} {22.N} 121.32315 0.30780 0.21080 ++ {0.0} {i.n} 0.0 -0.0317 1 {} 0 24 {16.H} 8.23112 0.02212 0.03603 ++ {0.0} {i.h} {16.CB} 41.84806 0.71272 1.14092 ++ {0.0} {i.cb} {16.N} 121.01302 0.29568 0.50922 ++ {0.0} {i.n} 0.0 -0.1502 1 {} 0 25 {60.H} 8.09036 0.02305 0.04753 ++ {0.0} {i.h} {60.CB} 33.02192 0.70159 1.23455 ++ {0.0} {i.cb} {60.N} 121.00605 0.29739 0.55123 ++ {0.0} {i.n} 0.0 -0.2849 1 {} 0 26 {10.H} 8.16618 0.02592 0.04345 ++ {0.0} {i.h} {10.CB} 40.21483 0.67990 1.13000 ++ {0.0} {i.cb} {10.N} 120.67818 0.30969 0.54269 ++ {0.0} {i.n} 0.0 -0.1685 1 {} 0 27 {36.H} 8.67064 0.02055 0.03121 ++ {0.0} {i.h} {36.CB} 37.87148 0.71992 1.01099 ++ {0.0} {i.cb} {36.N} 120.68745 0.30869 0.46951 ++ {0.0} {i.n} 0.0 -0.0871 1 {} 0 28 {47.H} 8.02310 0.02225 0.03190 ++ {0.0} {i.h} {47.CB} 36.73470 0.77499 1.03077 ++ {0.0} {i.cb} {47.N} 120.62894 0.32777 0.46090 ++ {0.0} {i.n} 0.0 -0.0703 1 {} 0 29 {7.H} 8.29625 0.02083 0.03288 ++ {0.0} {i.h} {7.CB} 31.07947 0.59166 0.73346 ++ {0.0} {i.cb} {7.N} 120.70389 0.35303 0.46542 ++ {0.0} {i.n} 0.0 -0.0612 1 {} 0 30 {36.H} 8.66508 0.01640 0.01597 ++ {0.0} {i.h} {35.CB} 30.34262 0.66068 0.64542 ++ {0.0} {i-1.cb} {36.N} 120.68714 0.26940 0.25944 ++ {0.0} {i.n} 0.0 -0.0402 1 {} 0 31 {44.H} 9.13931 0.02377 0.02364 ++ {0.0} {i.h} {44.CB} 29.95444 0.74498 0.74093 ++ {0.0} {i.cb} {44.N} 120.58396 0.31538 0.31273 ++ {0.0} {i.n} 0.0 -0.0414 1 {} 0 32 {20.H} 7.78103 0.02548 0.03519 ++ {0.0} {i.h} {20.CB} 32.44764 0.65631 0.89374 ++ {0.0} {i.cb} {20.N} 120.36968 0.32817 0.49459 ++ {0.0} {i.n} 0.0 -0.0847 1 {} 0 33 {35.H} 7.78174 0.02308 0.04024 ++ {0.0} {i.h} {35.CB} 30.23088 0.76375 1.23734 ++ {0.0} {i.cb} {35.N} 120.33913 0.29350 0.50146 ++ {0.0} {i.n} 0.0 -0.1432 1 {} 0 34 {20.H} 7.77627 0.01174 0.00113 ++ {0.0} {i.h} {19.CB} 28.96355 0.66020 0.08589 ++ {0.0} {i-1.cb} {20.N} 120.34435 0.27698 0.02728 ++ {0.0} {i.n} 0.0 -0.0219 1 {} 0 35 {42.H} 8.27333 0.03082 0.04643 ++ {0.0} {i.h} {42.CB} 47.54274 0.69552 1.17434 ++ {0.0} {i.cb} {42.N} 120.00323 0.28681 0.50654 ++ {0.0} {i.n} 0.0 -0.1784 1 {} 0 36 {21.H} 7.89927 0.02563 0.03784 ++ {0.0} {i.h} {} 32.73383 0.81208 1.18153 ++ {0.0} {i-1.cb} {21.N} 120.00302 0.29499 0.47276 ++ {0.0} {i.n} 0.0 -0.1050 1 {} 0 37 {42.H} 8.27192 0.02005 0.02068 ++ {0.0} {i.h} {41.CB} 24.81425 0.60328 0.62061 ++ {0.0} {i-1.cb} {42.N} 120.01215 0.28137 0.29195 ++ {0.0} {i.n} 0.0 -0.0434 1 {} 0 38 {59.H} 7.88156 0.02425 0.02463 ++ {0.0} {i.h} {58.CB} 42.27490 0.74205 0.75595 ++ {0.0} {i-1.cb} {59.N} 119.72710 0.31937 0.32813 ++ {0.0} {i.n} 0.0 -0.0429 1 {} 0 39 {58.H} 7.49129 0.02213 0.03873 ++ {0.0} {i.h} {58.CB} 42.27535 0.70436 1.13194 ++ {0.0} {i.cb} {58.N} 119.70074 0.33227 0.57326 ++ {0.0} {i.n} 0.0 -0.1519 1 {} 0 40 {49.H} 8.59263 0.02002 0.02730 ++ {0.0} {i.h} {49.CB} 38.26681 0.63596 0.81508 ++ {0.0} {i.cb} {49.N} 119.62210 0.30406 0.42094 ++ {0.0} {i.n} 0.0 -0.0678 1 {} 0 41 {49.H} 8.59534 0.01620 0.01311 ++ {0.0} {i.h} {48.CB} 33.33116 0.64891 0.54678 ++ {0.0} {i-1.cb} {49.N} 119.63730 0.28779 0.21471 ++ {0.0} {i.n} 0.0 -0.0333 1 {} 0 42 {59.H} 7.88857 0.02289 0.03717 ++ {0.0} {i.h} {59.CB} 32.95940 0.74247 1.06557 ++ {0.0} {i.cb} {59.N} 119.78256 0.33908 0.54346 ++ {0.0} {i.n} 0.0 -0.1050 1 {} 0 43 {58.H} 7.48690 0.01890 0.01961 ++ {0.0} {i.h} {57.CB} 32.66092 0.69087 0.71237 ++ {0.0} {i-1.cb} {58.N} 119.69017 0.34041 0.35722 ++ {0.0} {i.n} 0.0 -0.0439 1 {} 0 44 {26.H} 8.65365 0.01741 0.01892 ++ {0.0} {i.h} {25.CB} 41.11527 0.60298 0.64913 ++ {0.0} {i-1.cb} {26.N} 119.34838 0.28758 0.31674 ++ {0.0} {i.n} 0.0 -0.0464 1 {} 0 45 {33.H} 8.47691 0.02505 0.03680 ++ {0.0} {i.h} {33.CB} 30.42328 0.99287 1.40509 ++ {0.0} {i.cb} {33.N} 119.34909 0.33711 0.52645 ++ {0.0} {i.n} 0.0 -0.0952 1 {} 0 46 {32.H} 7.70707 0.02184 0.03096 ++ {0.0} {i.h} {32.CB} 29.87790 0.62989 0.90658 ++ {0.0} {i.cb} {32.N} 119.26144 0.31968 0.49641 ++ {0.0} {i.n} 0.0 -0.0933 1 {} 0 47 {26.H} 8.65290 0.02491 0.02380 ++ {0.0} {i.h} {26.CB} 29.05419 0.54013 0.51248 ++ {0.0} {i.cb} {26.N} 119.35798 0.26918 0.25118 ++ {0.0} {i.n} 0.0 -0.0391 1 {} 0 48 {17.H} 7.74313 0.00797 0.00934 ++ {0.0} {i.h} {16.CB} 41.82926 0.70270 0.42987 ++ {0.0} {i-1.cb} {17.N} 118.96057 0.29129 0.14011 ++ {0.0} {i.n} 0.0 -0.0275 1 {} 0 49 {52.H} 8.22031 0.02245 0.02529 ++ {0.0} {i.h} {} 39.78011 0.58981 0.66581 ++ {0.0} {i-1.cb} {52.N} 119.00974 0.28739 0.33599 ++ {0.0} {i.n} 0.0 -0.0502 1 {} 0 50 {51.H} 9.01041 0.02592 0.02401 ++ {0.0} {i.h} {51.CB} 39.57265 0.81733 0.74101 ++ {0.0} {i.cb} {51.N} 119.09221 0.29387 0.25527 ++ {0.0} {i.n} 0.0 -0.0369 1 {} 0 51 {19.H} 8.18555 0.01855 0.02050 ++ {0.0} {i.h} {18.CB} 37.69411 0.62442 0.68058 ++ {0.0} {i-1.cb} {19.N} 119.02049 0.28816 0.32358 ++ {0.0} {i.n} 0.0 -0.0476 1 {} 0 52 {17.H} 7.73563 0.02892 0.04644 ++ {0.0} {i.h} {17.CB} 30.18899 0.71466 1.03802 ++ {0.0} {i.cb} {17.N} 118.98171 0.31579 0.50855 ++ {0.0} {i.n} 0.0 -0.1071 1 {} 0 53 {19.H} 8.18668 0.02194 0.03790 ++ {0.0} {i.h} {19.CB} 29.17104 0.74151 1.08205 ++ {0.0} {i.cb} {19.N} 119.00784 0.30270 0.47853 ++ {0.0} {i.n} 0.0 -0.0995 1 {} 0 54 {52.H} 8.21832 0.01738 0.03390 ++ {0.0} {i.h} {52.CB} 28.50074 0.70765 1.08970 ++ {0.0} {i.cb} {52.N} 118.99464 0.28896 0.48804 ++ {0.0} {i.n} 0.0 -0.1342 1 {} 0 55 {45.H} 8.34228 0.02020 0.04057 ++ {0.0} {i.h} {45.CB} 30.08319 0.72477 1.11721 ++ {0.0} {i.cb} {45.N} 118.67634 0.31445 0.54517 ++ {0.0} {i.n} 0.0 -0.1567 1 {} 0 56 {34.H} 7.97643 0.02251 0.02859 ++ {0.0} {i.h} {34.CB} 38.41272 0.68238 0.83144 ++ {0.0} {i.cb} {34.N} 118.28173 0.30719 0.40172 ++ {0.0} {i.n} 0.0 -0.0603 1 {} 0 57 {57.H} 7.35867 0.02695 0.04587 ++ {0.0} {i.h} {57.CB} 32.50989 0.76580 1.25373 ++ {0.0} {i.cb} {57.N} 118.33395 0.29698 0.53233 ++ {0.0} {i.n} 0.0 -0.2011 1 {} 0 58 {13.H} 8.41811 0.02017 0.02979 ++ {0.0} {i.h} {13.CB} 39.65059 0.73129 1.04666 ++ {0.0} {i.cb} {13.N} 118.02053 0.33286 0.50553 ++ {0.0} {i.n} 0.0 -0.0867 1 {} 0 59 {53.H} 8.31558 0.02079 0.04152 ++ {0.0} {i.h} {53.CB} 37.83699 0.69309 1.10177 ++ {0.0} {i.cb} {53.N} 118.00920 0.30509 0.53977 ++ {0.0} {i.n} 0.0 -0.1808 1 {} 0 60 {56.H} 7.48671 0.02305 0.03275 ++ {0.0} {i.h} {56.CB} 32.23411 0.84975 1.25584 ++ {0.0} {i.cb} {56.N} 118.01085 0.31404 0.48483 ++ {0.0} {i.n} 0.0 -0.0915 1 {} 0 61 {13.H} 8.41571 0.01781 0.01559 ++ {0.0} {i.h} {} 29.58706 0.60425 0.54135 ++ {0.0} {i-1.cb} {13.N} 118.02355 0.28026 0.24354 ++ {0.0} {i.n} 0.0 -0.0369 1 {} 0 62 {53.H} 8.31700 0.01625 0.01394 ++ {0.0} {i.h} {52.CB} 28.46212 0.63312 0.56523 ++ {0.0} {i-1.cb} {53.N} 118.03362 0.26473 0.22252 ++ {0.0} {i.n} 0.0 -0.0360 1 {} 0 63 {55.H} 7.96304 0.02203 0.03123 ++ {0.0} {i.h} {55.CB} 31.73599 0.81603 1.09188 ++ {0.0} {i.cb} {55.N} 117.65787 0.28577 0.42034 ++ {0.0} {i.n} 0.0 -0.0789 1 {} 0 64 {55.H} 7.96044 0.01826 0.00967 ++ {0.0} {i.h} {54.CB} 28.35280 0.68483 0.41684 ++ {0.0} {i-1.cb} {55.N} 117.66261 0.28044 0.15511 ++ {0.0} {i.n} 0.0 -0.0288 1 {} 0 65 {41.H} 8.00395 0.02664 0.02448 ++ {0.0} {i.h} {40.CB} 42.59992 0.67910 0.59877 ++ {0.0} {i-1.cb} {41.N} 117.34335 0.27432 0.22862 ++ {0.0} {i.n} 0.0 -0.0358 1 {} 0 66 {24.H} 7.62273 0.02074 0.04043 ++ {0.0} {i.h} {24.CB} 39.84293 0.69912 0.98250 ++ {0.0} {i.cb} {24.N} 117.34513 0.32038 0.48868 ++ {0.0} {i.n} 0.0 -0.0879 1 {} 0 67 {9.H} 8.17785 0.03025 0.02447 ++ {0.0} {i.h} {} 29.64146 0.65309 0.36192 ++ {0.0} {i-1.cb} {9.N} 117.33009 0.30857 0.14888 ++ {0.0} {i.n} 0.0 -0.0275 1 {} 0 68 {} 7.99609 0.02565 0.03953 ++ {0.0} {} {} 29.48590 0.89239 1.45069 ++ {0.0} {} {} 117.33330 0.30194 0.50674 ++ {0.0} {} 0.0 -0.1297 -1 {} 0 69 {24.H} 7.62974 0.01264 0.01151 ++ {0.0} {i.h} {23.CB} 29.15324 0.56325 0.52398 ++ {0.0} {i-1.cb} {24.N} 117.32052 0.30822 0.27888 ++ {0.0} {i.n} 0.0 -0.0381 1 {} 0 70 {41.H} 8.01048 0.02431 0.04014 ++ {0.0} {i.h} {41.CB} 24.89866 0.67541 1.02743 ++ {0.0} {i.cb} {41.N} 117.34061 0.32138 0.54571 ++ {0.0} {i.n} 0.0 -0.1382 1 {} 0 71 {25.H} 8.34200 0.02350 0.04518 ++ {0.0} {i.h} {25.CB} 41.07562 0.67168 1.09303 ++ {0.0} {i.cb} {25.N} 116.66499 0.29947 0.54099 ++ {0.0} {i.n} 0.0 -0.2156 1 {} 0 72 {25.H} 8.34064 0.01848 0.01671 ++ {0.0} {i.h} {24.CB} 39.75430 0.48820 0.43715 ++ {0.0} {i-1.cb} {25.N} 116.66358 0.28046 0.23904 ++ {0.0} {i.n} 0.0 -0.0364 1 {} 0 73 {14.H} 7.76039 0.01963 0.02262 ++ {0.0} {i.h} {13.CB} 39.59330 0.61099 0.68461 ++ {0.0} {i-1.cb} {14.N} 115.98653 0.28420 0.33598 ++ {0.0} {i.n} 0.0 -0.0510 1 {} 0 74 {31.H} 8.32947 0.02159 0.03819 ++ {0.0} {i.h} {31.CB} 29.88201 0.77559 1.37306 ++ {0.0} {i.cb} {31.N} 115.99554 0.30138 0.53471 ++ {0.0} {i.n} 0.0 -0.1848 1 {} 0 75 {14.H} 7.76460 0.02648 0.03956 ++ {0.0} {i.h} {14.CB} 27.86939 0.69453 1.03062 ++ {0.0} {i.cb} {14.N} 115.99780 0.29268 0.47488 ++ {0.0} {i.n} 0.0 -0.1105 1 {} 0 76 {27.H} 7.99084 0.03134 0.04257 ++ {0.0} {i.h} {27.CB} 41.09823 0.76418 1.07272 ++ {0.0} {i.cb} {27.N} 114.95961 0.31543 0.49245 ++ {0.0} {i.n} 0.0 -0.0951 1 {} 0 77 {27.H} 7.98662 0.01548 0.01012 ++ {0.0} {i.h} {26.CB} 29.14618 0.61151 0.41764 ++ {0.0} {i-1.cb} {27.N} 114.98887 0.30633 0.16823 ++ {0.0} {i.n} 0.0 -0.0288 1 {} 0 78 {11.H} 9.19153 0.02377 0.01632 ++ {0.0} {i.h} {10.CB} 40.27916 0.72130 0.50708 ++ {0.0} {i-1.cb} {11.N} 114.61341 0.33098 0.21047 ++ {0.0} {i.n} 0.0 -0.0306 1 {} 0 79 {23.H} 7.93704 0.01587 0.01585 ++ {0.0} {i.h} {22.CB} 39.19985 0.63414 0.63384 ++ {0.0} {i-1.cb} {23.N} 114.31555 0.27049 0.27029 ++ {0.0} {i.n} 0.0 -0.0417 1 {} 0 80 {38.H} 8.02156 0.01901 0.02707 ++ {0.0} {i.h} {38.CB} 29.13146 0.76529 1.01098 ++ {0.0} {i.cb} {38.N} 114.25754 0.31608 0.46708 ++ {0.0} {i.n} 0.0 -0.0799 1 {} 0 81 {23.H} 7.93831 0.02266 0.03721 ++ {0.0} {i.h} {23.CB} 29.06385 0.65980 1.05974 ++ {0.0} {i.cb} {23.N} 114.31761 0.29450 0.49844 ++ {0.0} {i.n} 0.0 -0.1357 1 {} 0 82 {38.H} 8.02079 0.01768 0.00436 ++ {0.0} {i.h} {37.CB} 17.43120 0.83570 0.38079 ++ {0.0} {i-1.cb} {38.N} 114.21947 0.35365 0.09469 ++ {0.0} {i.n} 0.0 -0.0241 1 {} 0 83 {15.H} 8.52966 0.02035 0.01812 ++ {0.0} {i.h} {14.CB} 27.81851 0.63178 0.55841 ++ {0.0} {i-1.cb} {15.N} 113.61711 0.31607 0.26762 ++ {0.0} {i.n} 0.0 -0.0362 1 {} 0 84 {40.H} 8.39742 0.02406 0.04122 ++ {0.0} {i.h} {40.CB} 42.74475 0.73922 1.12479 ++ {0.0} {i.cb} {40.N} 112.98959 0.30508 0.51380 ++ {0.0} {i.n} 0.0 -0.1321 1 {} 0 85 {40.H} 8.40185 0.02663 0.02058 ++ {0.0} {i.h} {39.CB} 18.66787 0.59391 0.45999 ++ {0.0} {i-1.cb} {40.N} 112.99632 0.27067 0.17870 ++ {0.0} {i.n} 0.0 -0.0311 1 {} 0 86 {} 7.52844 0.01537 0.00307 ++ {0.0} {} {} 29.59041 0.78214 0.25455 ++ {0.0} {} {} 112.36360 0.41499 0.06417 ++ {0.0} {} 0.0 -0.0226 1 {} 0 87 {29.H} 7.63798 0.02293 0.01835 ++ {0.0} {i.h} {28.CB} 44.45981 0.66856 0.50211 ++ {0.0} {i-1.cb} {29.N} 111.69921 0.34843 0.24324 ++ {0.0} {i.n} 0.0 -0.0320 1 {} 0 88 {} 9.30379 0.02461 0.00849 ++ {0.0} {} {} 23.66803 0.87987 0.36636 ++ {0.0} {} {} 109.97722 0.30975 0.09187 ++ {0.0} {} 0.0 -0.0245 1 {} 0 89 {43.H} 8.76830 0.01935 0.01676 ++ {0.0} {i.h} {42.CB} 47.59557 0.68413 0.57775 ++ {0.0} {i-1.cb} {43.N} 109.32088 0.31054 0.24079 ++ {0.0} {i.n} 0.0 -0.0341 1 {} 0 90 {44.H} 9.14440 0.01669 0.01457 ++ {0.0} {i.h} {43.CB} 71.25508 0.48404 0.42302 ++ {0.0} {i-1.cb} {44.N} 120.63867 0.30410 0.25058 ++ {0.0} {i.n} 0.0 -0.0355 1 {} 0 91 {11.H} 9.19208 0.02119 0.03121 ++ {0.0} {i.h} {11.CB} 71.21265 0.74238 0.99772 ++ {0.0} {i.cb} {11.N} 114.60788 0.31498 0.46139 ++ {0.0} {i.n} 0.0 -0.0780 1 {} 0 92 {43.H} 8.76793 0.02390 0.03875 ++ {0.0} {i.h} {43.CB} 71.19265 0.69825 0.97101 ++ {0.0} {i.cb} {43.N} 109.33285 0.33014 0.50456 ++ {0.0} {i.n} 0.0 -0.0885 1 {} 0 93 {30.H} 8.85647 0.01809 0.01983 ++ {0.0} {i.h} {29.CB} 70.86784 0.68038 0.72350 ++ {0.0} {i-1.cb} {30.N} 122.68123 0.28736 0.31321 ++ {0.0} {i.n} 0.0 -0.0458 1 {} 0 94 {29.H} 7.63826 0.02211 0.03026 ++ {0.0} {i.h} {29.CB} 70.86119 0.66462 0.86440 ++ {0.0} {i.cb} {29.N} 111.69907 0.32582 0.46388 ++ {0.0} {i.n} 0.0 -0.0724 1 {} 0 95 {10.H} 8.16645 0.02242 0.02654 ++ {0.0} {i.h} {9.CB} 70.15554 0.57994 0.68389 ++ {0.0} {i-1.cb} {10.N} 120.67806 0.29729 0.36233 ++ {0.0} {i.n} 0.0 -0.0534 1 {} 0 96 {9.H} 8.16936 0.02917 0.03278 ++ {0.0} {i.h} {9.CB} 70.15833 0.65496 0.75322 ++ {0.0} {i.cb} {9.N} 117.32764 0.29777 0.36083 ++ {0.0} {i.n} 0.0 -0.0529 1 {} 0 97 {16.H} 8.22766 0.01384 0.00636 ++ {0.0} {i.h} {15.CB} 68.37701 0.68520 0.37354 ++ {0.0} {i-1.cb} {16.N} 120.98219 0.26037 0.12484 ++ {0.0} {i.n} 0.0 -0.0274 1 {} 0 98 {15.H} 8.52576 0.02075 0.02620 ++ {0.0} {i.h} {15.CB} 68.44029 0.65537 0.73881 ++ {0.0} {i.cb} {15.N} 113.62770 0.31868 0.39635 ++ {0.0} {i.n} 0.0 -0.0552 1 {} 0 99 {62.H} 7.79130 0.02528 0.04635 ++ {0.0} {i.h} {62.CA} 56.80299 0.71280 1.31846 ++ {0.0} {i.ca} {62.N} 128.33809 0.32010 0.61762 ++ {0.0} {i.n} 0.0 0.5915 1 {} 0 100 {37.H} 8.36991 0.02705 0.03057 ++ {0.0} {i.h} {36.CA} 64.73873 0.73445 0.84408 ++ {0.0} {i-1.ca} {37.N} 124.33984 0.30697 0.37209 ++ {0.0} {i.n} 0.0 0.0530 1 {} 0 101 {37.H} 8.36705 0.02077 0.04685 ++ {0.0} {i.h} {37.CA} 56.54266 0.61449 1.07471 ++ {0.0} {i.ca} {37.N} 124.34454 0.28953 0.52579 ++ {0.0} {i.n} 0.0 0.2268 1 {} 0 102 {12.H} 9.09366 0.02270 0.00444 ++ {0.0} {i.h} {11.CA} 61.17821 0.47445 0.10056 ++ {0.0} {i-1.ca} {12.N} 123.34726 0.28352 0.05385 ++ {0.0} {i.n} 0.0 0.0231 1 {} 0 103 {12.H} 9.09399 0.02159 0.01158 ++ {0.0} {i.h} {12.CA} 59.90927 0.56817 0.33928 ++ {0.0} {i.ca} {12.N} 123.34607 0.27297 0.13658 ++ {0.0} {i.n} 0.0 0.0278 1 {} 0 104 {18.H} 8.19176 0.02733 0.03949 ++ {0.0} {i.h} {18.CA} 58.43344 0.80859 1.10442 ++ {0.0} {i.ca} {18.N} 123.42049 0.33563 0.54254 ++ {0.0} {i.n} 0.0 0.1088 1 {} 0 105 {5.H} 8.50045 0.02885 0.05303 ++ {0.0} {i.h} {4.CA} 56.22073 0.67720 1.07914 ++ {0.0} {i-1.ca} {5.N} 123.43186 0.45513 0.91929 ++ {0.0} {i.n} 0.0 0.1568 1 {} 0 106 {54.H} 8.15975 0.02553 0.04418 ++ {0.0} {i.h} {54.CA} 56.38294 0.78636 1.40429 ++ {0.0} {i.ca} {54.N} 123.01832 0.29951 0.53198 ++ {0.0} {i.n} 0.0 0.1864 1 {} 0 107 {30.H} 8.85512 0.02421 0.04804 ++ {0.0} {i.h} {30.CA} 60.31581 0.64573 0.98064 ++ {0.0} {i.ca} {30.N} 122.68343 0.30540 0.51603 ++ {0.0} {i.n} 0.0 0.1345 1 {} 0 108 {8.H} 8.56449 0.02812 0.04085 ++ {0.0} {i.h} {8.CA} 55.80005 0.71992 0.90871 ++ {0.0} {i.ca} {8.N} 122.59064 0.31589 0.43312 ++ {0.0} {i.n} 0.0 0.0663 1 {} 0 109 {50.H} 8.16484 0.02087 0.02052 ++ {0.0} {i.h} {49.CA} 64.42667 0.62869 0.59322 ++ {0.0} {i-1.ca} {50.N} 122.32791 0.24914 0.24242 ++ {0.0} {i.n} 0.0 0.0406 1 {} 0 110 {50.H} 8.16028 0.02424 0.03869 ++ {0.0} {i.h} {50.CA} 63.33395 0.63751 1.03479 ++ {0.0} {i.ca} {50.N} 122.33349 0.31297 0.53599 ++ {0.0} {i.n} 0.0 0.1452 1 {} 0 111 {61.H} 8.24491 0.02407 0.04943 ++ {0.0} {i.h} {61.CA} 56.57763 0.71357 1.23116 ++ {0.0} {i.ca} {61.N} 122.00518 0.30223 0.58362 ++ {0.0} {i.n} 0.0 0.6051 1 {} 0 112 {48.H} 8.56620 0.02120 0.02273 ++ {0.0} {i.h} {47.CA} 64.14474 0.72994 0.80832 ++ {0.0} {i-1.ca} {48.N} 121.66900 0.31075 0.35079 ++ {0.0} {i.n} 0.0 0.0479 1 {} 0 113 {48.H} 8.55849 0.02046 0.03797 ++ {0.0} {i.h} {48.CA} 60.23077 0.63373 1.02032 ++ {0.0} {i.ca} {48.N} 121.64807 0.32796 0.56677 ++ {0.0} {i.n} 0.0 0.1535 1 {} 0 114 {39.H} 8.18608 0.02214 0.03020 ++ {0.0} {i.h} {38.CA} 58.33635 0.58784 0.76974 ++ {0.0} {i-1.ca} {39.N} 121.64629 0.24916 0.36612 ++ {0.0} {i.n} 0.0 0.0786 1 {} 0 115 {28.H} 8.41427 0.02212 0.02919 ++ {0.0} {i.h} {27.CA} 56.71774 0.71882 0.88203 ++ {0.0} {i-1.ca} {28.N} 121.67698 0.29438 0.39401 ++ {0.0} {i.n} 0.0 0.0631 1 {} 0 116 {39.H} 8.18747 0.02191 0.04645 ++ {0.0} {i.h} {39.CA} 55.12182 0.67929 1.11545 ++ {0.0} {i.ca} {39.N} 121.67458 0.29085 0.54235 ++ {0.0} {i.n} 0.0 0.3085 1 {} 0 117 {28.H} 8.41109 0.02877 0.04713 ++ {0.0} {i.h} {28.CA} 53.34184 0.72733 1.08911 ++ {0.0} {i.ca} {28.N} 121.68851 0.31594 0.54012 ++ {0.0} {i.n} 0.0 0.1437 1 {} 0 118 {22.H} 9.05535 0.02254 0.04186 ++ {0.0} {i.h} {22.CA} 60.67326 0.64331 0.94910 ++ {0.0} {i.ca} {22.N} 121.33643 0.31150 0.53017 ++ {0.0} {i.n} 0.0 0.1400 1 {} 0 119 {22.H} 9.05727 0.02132 0.02556 ++ {0.0} {i.h} {21.CA} 59.32220 0.51048 0.59855 ++ {0.0} {i-1.ca} {22.N} 121.33655 0.30517 0.39012 ++ {0.0} {i.n} 0.0 0.0578 1 {} 0 120 {16.H} 8.23100 0.02089 0.01398 ++ {0.0} {i.h} {15.CA} 67.52972 0.60212 0.48796 ++ {0.0} {i-1.ca} {16.N} 121.00713 0.32120 0.23378 ++ {0.0} {i.n} 0.0 0.0328 1 {} 0 121 {16.H} 8.23033 0.02394 0.04385 ++ {0.0} {i.h} {16.CA} 58.30128 0.61088 1.09206 ++ {0.0} {i.ca} {16.N} 121.00938 0.29577 0.53751 ++ {0.0} {i.n} 0.0 0.2285 1 {} 0 122 {60.H} 8.09056 0.02320 0.04507 ++ {0.0} {i.h} {60.CA} 56.64347 0.77826 1.34440 ++ {0.0} {i.ca} {60.N} 121.00463 0.30018 0.56573 ++ {0.0} {i.n} 0.0 0.3617 1 {} 0 123 {36.H} 8.67002 0.02339 0.04055 ++ {0.0} {i.h} {36.CA} 64.72462 0.65955 1.01177 ++ {0.0} {i.ca} {36.N} 120.69582 0.32524 0.55440 ++ {0.0} {i.n} 0.0 0.1412 1 {} 0 124 {47.H} 8.02309 0.02562 0.03925 ++ {0.0} {i.h} {47.CA} 64.10960 0.68996 0.99814 ++ {0.0} {i.ca} {47.N} 120.64372 0.33622 0.54580 ++ {0.0} {i.n} 0.0 0.1108 1 {} 0 125 {10.H} 8.16800 0.02159 0.02858 ++ {0.0} {i.h} {9.CA} 62.00584 0.58274 0.76643 ++ {0.0} {i-1.ca} {10.N} 120.66402 0.30947 0.41913 ++ {0.0} {i.n} 0.0 0.0646 1 {} 0 126 {44.H} 9.14192 0.02293 0.02996 ++ {0.0} {i.h} {43.CA} 60.39082 0.77361 0.93448 ++ {0.0} {i-1.ca} {44.N} 120.58894 0.34517 0.45441 ++ {0.0} {i.n} 0.0 0.0610 1 {} 0 127 {36.H} 8.66842 0.01863 0.02574 ++ {0.0} {i.h} {} 59.71434 0.60552 0.77942 ++ {0.0} {i-1.ca} {36.N} 120.68430 0.30481 0.42523 ++ {0.0} {i.n} 0.0 0.0690 1 {} 0 128 {47.H} 8.02365 0.01706 0.01796 ++ {0.0} {i.h} {46.CA} 59.45473 0.54068 0.56622 ++ {0.0} {i-1.ca} {47.N} 120.63599 0.30270 0.32105 ++ {0.0} {i.n} 0.0 0.0444 1 {} 0 129 {10.H} 8.16681 0.02598 0.05152 ++ {0.0} {i.h} {10.CA} 56.79990 0.65194 1.14411 ++ {0.0} {i.ca} {10.N} 120.68269 0.31721 0.58450 ++ {0.0} {i.n} 0.0 0.2651 1 {} 0 130 {7.H} 8.29628 0.02158 0.03279 ++ {0.0} {i.h} {7.CA} 56.09843 0.74259 1.03046 ++ {0.0} {i.ca} {7.N} 120.72162 0.34343 0.53404 ++ {0.0} {i.n} 0.0 0.0938 1 {} 0 131 {20.H} 7.78093 0.02339 0.05090 ++ {0.0} {i.h} {20.CA} 59.73894 0.74676 1.34148 ++ {0.0} {i.ca} {20.N} 120.35038 0.31860 0.60512 ++ {0.0} {i.n} 0.0 0.4143 1 {} 0 132 {42.H} 8.27307 0.02706 0.02082 ++ {0.0} {i.h} {41.CA} 60.39509 0.65648 0.51921 ++ {0.0} {i-1.ca} {42.N} 120.01584 0.28690 0.20106 ++ {0.0} {i.n} 0.0 0.0321 1 {} 0 133 {21.H} 7.89880 0.02480 0.04404 ++ {0.0} {i.h} {21.CA} 59.31908 0.84997 1.46801 ++ {0.0} {i.ca} {21.N} 120.00278 0.29389 0.52491 ++ {0.0} {i.n} 0.0 0.1950 1 {} 0 134 {42.H} 8.27405 0.03172 0.04953 ++ {0.0} {i.h} {42.CA} 52.69832 0.64144 1.08518 ++ {0.0} {i.ca} {42.N} 120.00795 0.28700 0.52543 ++ {0.0} {i.n} 0.0 0.2465 1 {} 0 135 {49.H} 8.59156 0.02126 0.03540 ++ {0.0} {i.h} {49.CA} 64.41695 0.57841 0.88766 ++ {0.0} {i.ca} {49.N} 119.63378 0.32053 0.52393 ++ {0.0} {i.n} 0.0 0.1142 1 {} 0 136 {49.H} 8.60014 0.01737 0.01634 ++ {0.0} {i.h} {48.CA} 60.27403 0.64114 0.60615 ++ {0.0} {i-1.ca} {49.N} 119.66284 0.31576 0.29078 ++ {0.0} {i.n} 0.0 0.0387 1 {} 0 137 {58.H} 7.48954 0.01843 0.02660 ++ {0.0} {i.h} {57.CA} 57.29629 0.44381 0.58542 ++ {0.0} {i-1.ca} {58.N} 119.69408 0.26991 0.40321 ++ {0.0} {i.n} 0.0 0.0824 1 {} 0 138 {59.H} 7.88687 0.02267 0.03849 ++ {0.0} {i.h} {59.CA} 56.92849 0.60480 1.06087 ++ {0.0} {i.ca} {59.N} 119.70255 0.32541 0.57493 ++ {0.0} {i.n} 0.0 0.1789 1 {} 0 139 {58.H} 7.49169 0.02223 0.04344 ++ {0.0} {i.h} {58.CA} 56.11393 0.56561 0.99792 ++ {0.0} {i.ca} {58.N} 119.69188 0.31802 0.58541 ++ {0.0} {i.n} 0.0 0.2621 1 {} 0 140 {59.H} 7.88644 0.01371 0.01746 ++ {0.0} {i.h} {} 55.87394 0.52086 0.65963 ++ {0.0} {i-1.ca} {59.N} 119.69487 0.29519 0.37073 ++ {0.0} {i.n} 0.0 0.0561 1 {} 0 141 {} 8.19128 0.01838 0.00113 ++ {0.0} {} {} 63.58273 0.71102 0.05735 ++ {0.0} {} {} 119.32110 0.31415 0.01541 ++ {0.0} {} 0.0 0.0214 1 {} 0 142 {33.H} 8.47692 0.02304 0.04288 ++ {0.0} {i.h} {33.CA} 60.79050 0.65978 1.06359 ++ {0.0} {i.ca} {33.N} 119.34100 0.30119 0.53967 ++ {0.0} {i.n} 0.0 0.2004 1 {} 0 143 {33.H} 8.47456 0.01519 0.02240 ++ {0.0} {i.h} {32.CA} 57.39045 0.56215 0.78278 ++ {0.0} {i-1.ca} {33.N} 119.34173 0.29701 0.44407 ++ {0.0} {i.n} 0.0 0.0826 1 {} 0 144 {32.H} 7.70543 0.02367 0.03978 ++ {0.0} {i.h} {32.CA} 57.38064 0.73174 1.09101 ++ {0.0} {i.ca} {32.N} 119.29394 0.33343 0.55407 ++ {0.0} {i.n} 0.0 0.1234 1 {} 0 145 {26.H} 8.65852 0.02665 0.03531 ++ {0.0} {i.h} {26.CA} 54.58707 0.53077 0.65505 ++ {0.0} {i.ca} {26.N} 119.35026 0.30183 0.39951 ++ {0.0} {i.n} 0.0 0.0617 1 {} 0 146 {26.H} 8.65551 0.02950 0.03701 ++ {0.0} {i.h} {25.CA} 53.29533 0.44724 0.51820 ++ {0.0} {i-1.ca} {26.N} 119.33691 0.30792 0.37849 ++ {0.0} {i.n} 0.0 0.0541 1 {} 0 147 {52.H} 8.21730 0.01795 0.02670 ++ {0.0} {i.h} {51.CA} 63.66445 0.69082 0.86200 ++ {0.0} {i-1.ca} {52.N} 118.98668 0.28834 0.40051 ++ {0.0} {i.n} 0.0 0.0683 1 {} 0 148 {51.H} 9.00408 0.02500 0.03487 ++ {0.0} {i.h} {51.CA} 63.50127 0.67402 0.94305 ++ {0.0} {i.ca} {51.N} 119.08039 0.33712 0.51367 ++ {0.0} {i.n} 0.0 0.0876 1 {} 0 149 {52.H} 8.21780 0.02822 0.03950 ++ {0.0} {i.h} {52.CA} 59.51210 0.61221 1.07746 ++ {0.0} {i.ca} {52.N} 119.00330 0.29134 0.53258 ++ {0.0} {i.n} 0.0 0.2426 1 {} 0 150 {19.H} 8.18841 0.01975 0.02821 ++ {0.0} {i.h} {19.CA} 59.32954 0.69367 1.02401 ++ {0.0} {i.ca} {19.N} 119.00780 0.30087 0.52432 ++ {0.0} {i.n} 0.0 0.1622 1 {} 0 151 {17.H} 7.73568 0.02417 0.04680 ++ {0.0} {i.h} {17.CA} 58.64989 0.75183 1.23899 ++ {0.0} {i.ca} {17.N} 118.98219 0.31567 0.56472 ++ {0.0} {i.n} 0.0 0.1977 1 {} 0 152 {45.H} 8.33929 0.02122 0.02661 ++ {0.0} {i.h} {44.CA} 61.21013 0.71455 0.80775 ++ {0.0} {i-1.ca} {45.N} 118.66504 0.28224 0.37619 ++ {0.0} {i.n} 0.0 0.0625 1 {} 0 153 {45.H} 8.34469 0.02311 0.04319 ++ {0.0} {i.h} {45.CA} 59.65109 0.73127 1.13510 ++ {0.0} {i.ca} {45.N} 118.67433 0.32369 0.57666 ++ {0.0} {i.n} 0.0 0.1910 1 {} 0 154 {34.H} 7.97352 0.01907 0.02763 ++ {0.0} {i.h} {34.CA} 65.43591 0.65676 0.91478 ++ {0.0} {i.ca} {34.N} 118.26373 0.31737 0.50159 ++ {0.0} {i.n} 0.0 0.0995 1 {} 0 155 {57.H} 7.35895 0.02563 0.05537 ++ {0.0} {i.h} {57.CA} 57.43592 0.73904 1.25876 ++ {0.0} {i.ca} {57.N} 118.33498 0.29810 0.55870 ++ {0.0} {i.n} 0.0 0.3317 1 {} 0 156 {13.H} 8.42016 0.02259 0.03919 ++ {0.0} {i.h} {13.CA} 61.36651 0.67632 1.02232 ++ {0.0} {i.ca} {13.N} 118.01492 0.33732 0.58463 ++ {0.0} {i.n} 0.0 0.1564 1 {} 0 157 {56.H} 7.48672 0.01683 0.02157 ++ {0.0} {i.h} {55.CA} 60.12271 0.53416 0.65928 ++ {0.0} {i-1.ca} {56.N} 118.01073 0.30214 0.40448 ++ {0.0} {i.n} 0.0 0.0631 1 {} 0 158 {13.H} 8.41752 0.02667 0.02872 ++ {0.0} {i.h} {12.CA} 59.89915 0.64987 0.71102 ++ {0.0} {i-1.ca} {13.N} 118.01492 0.36166 0.41629 ++ {0.0} {i.n} 0.0 0.0492 1 {} 0 159 {53.H} 8.31571 0.01762 0.02540 ++ {0.0} {i.h} {52.CA} 59.54360 0.57952 0.79064 ++ {0.0} {i-1.ca} {53.N} 118.00431 0.29132 0.42580 ++ {0.0} {i.n} 0.0 0.0775 1 {} 0 160 {56.H} 7.48668 0.02341 0.04346 ++ {0.0} {i.h} {56.CA} 57.72121 0.64580 1.04961 ++ {0.0} {i.ca} {56.N} 118.00732 0.31518 0.57478 ++ {0.0} {i.n} 0.0 0.2366 1 {} 0 161 {53.H} 8.31703 0.02518 0.04414 ++ {0.0} {i.h} {53.CA} 55.60949 0.71472 1.14348 ++ {0.0} {i.ca} {53.N} 118.00116 0.30672 0.55343 ++ {0.0} {i.n} 0.0 0.2132 1 {} 0 162 {55.H} 7.96156 0.02429 0.04287 ++ {0.0} {i.h} {55.CA} 60.19361 0.69447 1.08112 ++ {0.0} {i.ca} {55.N} 117.67205 0.30258 0.53175 ++ {0.0} {i.n} 0.0 0.1720 1 {} 0 163 {55.H} 7.96355 0.02249 0.02794 ++ {0.0} {i.h} {54.CA} 56.40139 0.62270 0.76289 ++ {0.0} {i-1.ca} {55.N} 117.66265 0.30147 0.39411 ++ {0.0} {i.n} 0.0 0.0602 1 {} 0 164 {9.H} 8.18214 0.02756 0.03897 ++ {0.0} {i.h} {9.CA} 62.05883 0.65552 0.85958 ++ {0.0} {i.ca} {9.N} 117.32221 0.30053 0.42812 ++ {0.0} {i.n} 0.0 0.0725 1 {} 0 165 {41.H} 8.01102 0.02260 0.02914 ++ {0.0} {i.h} {41.CA} 60.43863 0.44597 1.29821 ++ {0.0} {i.ca} {41.N} 117.36113 0.33516 0.51002 ++ {0.0} {i.n} 0.0 0.0872 1 {} 0 166 {24.H} 7.62475 0.03000 0.04296 ++ {0.0} {i.h} {24.CA} 59.75837 0.71739 1.12953 ++ {0.0} {i.ca} {24.N} 117.34657 0.33531 0.55718 ++ {0.0} {i.n} 0.0 0.1233 1 {} 0 167 {} 7.99418 0.02320 0.04253 ++ {0.0} {} {} 59.52018 0.71030 1.18407 ++ {0.0} {} {} 117.32985 0.30358 0.55994 ++ {0.0} {} 0.0 0.2683 -1 {} 0 168 {24.H} 7.63039 0.01212 0.00788 ++ {0.0} {i.h} {} 58.55286 0.46769 0.34207 ++ {0.0} {i-1.ca} {24.N} 117.34885 0.30568 0.20185 ++ {0.0} {i.n} 0.0 0.0311 1 {} 0 169 {9.H} 8.17491 0.02483 0.02365 ++ {0.0} {i.h} {} 55.58244 0.60527 0.54983 ++ {0.0} {i-1.ca} {9.N} 117.33372 0.28490 0.25155 ++ {0.0} {i.n} 0.0 0.0374 1 {} 0 170 {41.H} 8.01239 0.02569 0.02484 ++ {0.0} {i.h} {40.CA} 54.29494 0.63309 0.60607 ++ {0.0} {i-1.ca} {41.N} 117.34923 0.30331 0.28502 ++ {0.0} {i.n} 0.0 0.0394 1 {} 0 171 {25.H} 8.34089 0.02494 0.04785 ++ {0.0} {i.h} {25.CA} 53.20010 0.67970 1.12137 ++ {0.0} {i.ca} {25.N} 116.66375 0.29597 0.54373 ++ {0.0} {i.n} 0.0 0.2562 1 {} 0 172 {14.H} 7.76423 0.01976 0.02636 ++ {0.0} {i.h} {13.CA} 61.29165 0.64194 0.78669 ++ {0.0} {i-1.ca} {14.N} 115.99786 0.30428 0.40497 ++ {0.0} {i.n} 0.0 0.0624 1 {} 0 173 {31.H} 8.33028 0.02129 0.02701 ++ {0.0} {i.h} {30.CA} 60.26344 0.52360 0.74800 ++ {0.0} {i-1.ca} {31.N} 115.99156 0.27891 0.37891 ++ {0.0} {i.n} 0.0 0.0650 1 {} 0 174 {31.H} 8.32921 0.02235 0.04332 ++ {0.0} {i.h} {31.CA} 59.22284 0.69890 1.13447 ++ {0.0} {i.ca} {31.N} 115.99454 0.28945 0.53642 ++ {0.0} {i.n} 0.0 0.2842 1 {} 0 175 {14.H} 7.76514 0.02347 0.04555 ++ {0.0} {i.h} {14.CA} 59.21558 0.69209 1.11669 ++ {0.0} {i.ca} {14.N} 115.99638 0.29936 0.52921 ++ {0.0} {i.n} 0.0 0.1797 1 {} 0 176 {27.H} 7.99348 0.02991 0.04402 ++ {0.0} {i.h} {27.CA} 56.76006 0.69262 1.05274 ++ {0.0} {i.ca} {27.N} 114.97211 0.32172 0.54856 ++ {0.0} {i.n} 0.0 0.1415 1 {} 0 177 {27.H} 7.99433 0.02184 0.01221 ++ {0.0} {i.h} {26.CA} 54.64932 0.62063 0.34443 ++ {0.0} {i-1.ca} {27.N} 114.93256 0.29092 0.13070 ++ {0.0} {i.n} 0.0 0.0269 1 {} 0 178 {11.H} 9.19435 0.02704 0.03530 ++ {0.0} {i.h} {11.CA} 61.05744 0.73663 0.99538 ++ {0.0} {i.ca} {11.N} 114.56463 0.34363 0.50204 ++ {0.0} {i.n} 0.0 0.0774 1 {} 0 179 {11.H} 9.19125 0.02090 0.02571 ++ {0.0} {i.h} {10.CA} 56.79490 0.61847 0.71977 ++ {0.0} {i-1.ca} {11.N} 114.62818 0.30217 0.36299 ++ {0.0} {i.n} 0.0 0.0522 1 {} 0 180 {23.H} 7.93752 0.02191 0.02650 ++ {0.0} {i.h} {22.CA} 60.75807 0.60938 0.70083 ++ {0.0} {i-1.ca} {23.N} 114.31136 0.28089 0.33326 ++ {0.0} {i.n} 0.0 0.0513 1 {} 0 181 {23.H} 7.93615 0.02080 0.04324 ++ {0.0} {i.h} {23.CA} 58.78426 0.72616 1.17161 ++ {0.0} {i.ca} {23.N} 114.32233 0.29346 0.53185 ++ {0.0} {i.n} 0.0 0.2224 1 {} 0 182 {38.H} 8.01821 0.01942 0.03292 ++ {0.0} {i.h} {38.CA} 58.36203 0.67651 0.99999 ++ {0.0} {i.ca} {38.N} 114.26987 0.33981 0.56180 ++ {0.0} {i.n} 0.0 0.1203 1 {} 0 183 {38.H} 8.01607 0.01765 0.01556 ++ {0.0} {i.h} {37.CA} 56.64039 0.92152 0.83955 ++ {0.0} {i-1.ca} {38.N} 114.08195 0.32817 0.26792 ++ {0.0} {i.n} 0.0 0.0353 1 {} 0 184 {15.H} 8.52405 0.02179 0.02892 ++ {0.0} {i.h} {15.CA} 67.52268 0.73252 0.85146 ++ {0.0} {i.ca} {15.N} 113.62136 0.34798 0.48170 ++ {0.0} {i.n} 0.0 0.0678 1 {} 0 185 {15.H} 8.52747 0.02153 0.02669 ++ {0.0} {i.h} {14.CA} 59.21839 0.69363 0.81995 ++ {0.0} {i-1.ca} {15.N} 113.61841 0.29964 0.37269 ++ {0.0} {i.n} 0.0 0.0552 1 {} 0 186 {40.H} 8.39835 0.02710 0.04548 ++ {0.0} {i.h} {40.CA} 54.29664 0.84178 1.22827 ++ {0.0} {i.ca} {40.N} 112.99282 0.32364 0.55290 ++ {0.0} {i.n} 0.0 0.1431 1 {} 0 187 {29.H} 7.64645 0.02717 0.04094 ++ {0.0} {i.h} {29.CA} 60.31009 0.67166 0.97677 ++ {0.0} {i.ca} {29.N} 111.70975 0.33757 0.54354 ++ {0.0} {i.n} 0.0 0.1070 1 {} 0 188 {29.H} 7.63808 0.01671 0.01772 ++ {0.0} {i.h} {28.CA} 53.38678 0.57207 0.60450 ++ {0.0} {i-1.ca} {29.N} 111.71609 0.32898 0.35109 ++ {0.0} {i.n} 0.0 0.0447 1 {} 0 189 {6.H} 8.46857 0.02766 0.00159 ++ {0.0} {i.h} {5.CA} 56.34809 0.90428 0.21820 ++ {0.0} {i-1.ca} {6.N} 110.35239 0.34042 0.02898 ++ {0.0} {i.n} 0.0 0.0218 1 {} 0 190 {43.H} 8.76556 0.02932 0.04671 ++ {0.0} {i.h} {43.CA} 60.45576 0.65324 0.99825 ++ {0.0} {i.ca} {43.N} 109.33547 0.31953 0.53776 ++ {0.0} {i.n} 0.0 0.1316 1 {} 0 191 {43.H} 8.76812 0.02032 0.02104 ++ {0.0} {i.h} {42.CA} 52.79237 0.72390 0.75220 ++ {0.0} {i-1.ca} {43.N} 109.34158 0.35139 0.37100 ++ {0.0} {i.n} 0.0 0.0442 1 {} 0 192 {7.H} 8.29138 0.02587 0.03980 ++ {0.0} {i.h} {6.CA} 45.17774 0.64526 0.92851 ++ {0.0} {i-1.ca} {7.N} 120.71973 0.32828 0.52253 ++ {0.0} {i.n} 0.0 0.1022 1 {} 0 193 {6.H} 8.46696 0.02979 0.05693 ++ {0.0} {i.h} {6.CA} 45.14993 0.67450 1.02407 ++ {0.0} {i.ca} {6.N} 110.36662 0.33807 0.57183 ++ {0.0} {i.n} 0.0 0.1352 1 {} 0 194 {} 9.31346 0.02404 0.02510 ++ {0.0} {} {} 40.56175 0.75896 0.78330 ++ {0.0} {} {} 109.94273 0.30302 0.31749 ++ {0.0} {} 0.0 0.0438 1 {} 0 195 {47.H} 8.02542 0.00659 0.01238 ++ {0.0} {i.h} {46.CB} 29.56952 0.78287 0.71535 ++ {0.0} {i-1.cb} {47.N} 120.62469 0.30590 0.26192 ++ {0.0} {i.n} 0.0 -0.0188 1 {} 0 196 {34.H} 7.98130 0.02251 0.03692 ++ {0.0} {i.h} {33.CB} 30.43285 0.68238 1.06322 ++ {0.0} {i-1.cb} {34.N} 118.28173 0.30719 0.50493 ++ {0.0} {i.n} 0.0 -0.0603 1 {} 0 197 {25.H} 8.34170 0.02235 0.04897 ++ {0.0} {i.h} {24.CA} 59.73500 0.69890 1.15823 ++ {0.0} {i-1.ca} {25.N} 116.70710 0.28945 0.55704 ++ {0.0} {i.n} 0.0 0.2842 1 {} 0 198 {} 7.52365 0.01465 0.01672 ++ {0.0} {} {} 33.68850 0.55854 0.65829 ++ {0.0} {} {} 112.33478 0.31886 0.39647 ++ {0.0} {} 0.0 0.0284 1 {} 0 199 {} 6.88785 0.01577 0.01688 ++ {0.0} {} {} 37.77253 0.54095 0.59892 ++ {0.0} {} {} 111.62955 0.29010 0.32692 ++ {0.0} {} 0.0 0.0157 1 {} 0 200 {} 7.54652 0.00989 0.01809 ++ {0.0} {} {} 33.86642 0.60943 0.89531 ++ {0.0} {} {} 110.67185 0.31564 0.50162 ++ {0.0} {} 0.0 0.0335 1 {} 0 201 {} 7.54464 0.01300 0.01736 ++ {0.0} {} {} 28.51580 0.62577 0.84026 ++ {0.0} {} {} 110.65903 0.27499 0.36771 ++ {0.0} {} 0.0 -0.0207 1 {} 0 202 {12.H} 9.09427 0.00776 0.01065 ++ {0.0} {i.h} {} 71.20992 0.68558 0.44111 ++ {0.0} {i.cb} {12.N} 123.34433 0.29506 0.16069 ++ {0.0} {i.n} 0.0 -0.0094 1 {} 0 203 {21.H} 7.89927 0.02563 0.03973 ++ {0.0} {i.h} {21.CB} 28.92255 0.81208 1.23467 ++ {0.0} {i.cb} {21.N} 120.00302 0.29499 0.49620 ++ {0.0} {i.n} 0.0 -0.1050 0 {} 0 204 {44.H} 9.13926 0.02293 0.03842 ++ {0.0} {i.h} {44.CA} 61.34364 0.77361 1.11605 ++ {0.0} {i.ca} {44.N} 120.58894 0.34517 0.56955 ++ {0.0} {i.n} 0.0 0.0610 0 {} 0 205 {35.H} 7.78025 0.02457 0.03853 ++ {0.0} {i.h} {} 65.48508 0.66961 1.00844 ++ {0.0} {i.ca} {35.N} 120.34270 0.28490 0.47414 ++ {0.0} {i.n} 0.0 0.0636 0 {} 0 206 {35.H} 7.77995 0.02023 0.03077 ++ {0.0} {i.h} {34.CB} 38.36562 0.70103 0.99207 ++ {0.0} {i-1.cb} {35.N} 120.34233 0.28804 0.45550 ++ {0.0} {i.n} 0.0 -0.0510 0 {} 0 207 {6.H} 8.46669 0.00560 0.00880 ++ {0.0} {i.h} {} 31.28820 0.69967 0.54019 ++ {0.0} {i-1.cb} {6.N} 110.59733 0.32330 0.23062 ++ {0.0} {i.n} 0.0 -0.0166 0 {} 0 208 {46.H} 7.99418 0.02320 0.03523 ++ {0.0} {i.h} {46.CA} 59.52018 0.71030 1.05007 ++ {0.0} {i.ca} {46.N} 117.32985 0.30358 0.49128 ++ {0.0} {i.n} 0.0 0.2683 0 {} 0 209 {46.H} 7.99609 0.02565 0.02945 ++ {0.0} {i.h} {46.CB} 29.48590 0.89239 1.03520 ++ {0.0} {i.cb} {46.N} 117.33330 0.30194 0.36546 ++ {0.0} {i.n} 0.0 -0.1297 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 HN . 'not observed' 6300 Hz . . . 4.774 . . 31057 7 2 . . C 13 C-aliphatic . 'not observed' 10500 Hz . . . 46.000 . . 31057 7 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 7 stop_ save_ save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D HN(CA)CO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN C13 N15 AbdA_hncaco.nv 2580.9921875 3770.10009766 1300.01000977 599.664978027 150.792999268 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {62.H} 7.79096 0.02608 0.04405 ++ {0.0} {i.h} {62.C} 182.36002 0.32820 0.53136 ++ {0.0} {i.c} {62.N} 128.34543 0.31454 0.59384 ++ {0.0} {i.n} 0.0 0.4685 1 {} 0 1 {62.H} 7.79268 0.02171 0.04032 ++ {0.0} {i.h} {61.C} 175.41830 0.30771 0.44490 ++ {0.0} {i-1.c} {62.N} 128.34451 0.30326 0.52323 ++ {0.0} {i.n} 0.0 0.1912 1 {} 0 2 {37.H} 8.36376 0.02223 0.04208 ++ {0.0} {i.h} {37.C} 180.11992 0.28171 0.45083 ++ {0.0} {i.c} {37.N} 124.35029 0.26971 0.47627 ++ {0.0} {i.n} 0.0 0.2242 1 {} 0 3 {37.H} 8.36699 0.02367 0.03047 ++ {0.0} {i.h} {36.C} 177.20781 0.24225 0.32234 ++ {0.0} {i-1.c} {37.N} 124.35183 0.26130 0.37798 ++ {0.0} {i.n} 0.0 0.0949 1 {} 0 4 {18.H} 8.19207 0.01889 0.03200 ++ {0.0} {i.h} {18.C} 177.82140 0.27255 0.41195 ++ {0.0} {i.c} {18.N} 123.37704 0.30499 0.48964 ++ {0.0} {i.n} 0.0 0.1331 1 {} 0 5 {54.H} 8.15759 0.02022 0.03743 ++ {0.0} {i.h} {54.C} 179.40460 0.30707 0.46402 ++ {0.0} {i.c} {54.N} 123.01627 0.28708 0.49562 ++ {0.0} {i.n} 0.0 0.1919 1 {} 0 6 {30.H} 8.86014 0.02734 0.03297 ++ {0.0} {i.h} {30.C} 178.03603 0.28039 0.34073 ++ {0.0} {i.c} {30.N} 122.68964 0.28075 0.38197 ++ {0.0} {i.n} 0.0 0.0821 1 {} 0 7 {50.H} 8.16233 0.02495 0.04208 ++ {0.0} {i.h} {50.C} 180.20264 0.34901 0.52274 ++ {0.0} {i.c} {50.N} 122.32894 0.31200 0.51842 ++ {0.0} {i.n} 0.0 0.1551 1 {} 0 8 {50.H} 8.16254 0.01706 0.02160 ++ {0.0} {i.h} {49.C} 177.62065 0.23944 0.31242 ++ {0.0} {i-1.c} {50.N} 122.32279 0.25756 0.35645 ++ {0.0} {i.n} 0.0 0.0852 1 {} 0 9 {61.H} 8.24302 0.02158 0.03334 ++ {0.0} {i.h} {60.C} 176.41096 0.29727 0.41246 ++ {0.0} {i-1.c} {61.N} 122.00618 0.27180 0.44054 ++ {0.0} {i.n} 0.0 0.1385 1 {} 0 10 {61.H} 8.24528 0.02648 0.04499 ++ {0.0} {i.h} {61.C} 175.38440 0.32345 0.54379 ++ {0.0} {i.c} {61.N} 122.00600 0.29371 0.54189 ++ {0.0} {i.n} 0.0 0.3386 1 {} 0 11 {48.H} 8.55715 0.02221 0.03411 ++ {0.0} {i.h} {48.C} 180.37192 0.30344 0.45742 ++ {0.0} {i.c} {48.N} 121.65421 0.31479 0.52055 ++ {0.0} {i.n} 0.0 0.1516 1 {} 0 12 {39.H} 8.18035 0.01963 0.03386 ++ {0.0} {i.h} {39.C} 179.66504 0.31193 0.48516 ++ {0.0} {i.c} {39.N} 121.66365 0.28039 0.50528 ++ {0.0} {i.n} 0.0 0.2652 1 {} 0 13 {28.H} 8.41364 0.02623 0.04163 ++ {0.0} {i.h} {28.C} 178.46722 0.31618 0.44281 ++ {0.0} {i.c} {28.N} 121.68508 0.30736 0.47947 ++ {0.0} {i.n} 0.0 0.1193 1 {} 0 14 {39.H} 8.18657 0.01673 0.02668 ++ {0.0} {i.h} {38.C} 178.08876 0.28427 0.35284 ++ {0.0} {i-1.c} {39.N} 121.66552 0.25272 0.36793 ++ {0.0} {i.n} 0.0 0.0965 1 {} 0 15 {48.H} 8.56524 0.00985 0.01336 ++ {0.0} {i.h} {47.C} 177.26389 0.20824 0.24766 ++ {0.0} {i-1.c} {48.N} 121.65874 0.27137 0.34243 ++ {0.0} {i.n} 0.0 0.0711 1 {} 0 16 {28.H} 8.40884 0.01562 0.02508 ++ {0.0} {i.h} {27.C} 174.73875 0.26116 0.31249 ++ {0.0} {i-1.c} {28.N} 121.69804 0.24641 0.31614 ++ {0.0} {i.n} 0.0 0.0732 1 {} 0 17 {22.H} 9.05520 0.01801 0.02003 ++ {0.0} {i.h} {21.C} 179.01503 0.29414 0.33430 ++ {0.0} {i-1.c} {22.N} 121.34262 0.28257 0.33123 ++ {0.0} {i.n} 0.0 0.0634 1 {} 0 18 {22.H} 9.04907 0.02086 0.03482 ++ {0.0} {i.h} {22.C} 176.21471 0.25782 0.43057 ++ {0.0} {i.c} {22.N} 121.33459 0.25407 0.43681 ++ {0.0} {i.n} 0.0 0.1870 1 {} 0 19 {16.H} 8.22962 0.02407 0.04610 ++ {0.0} {i.h} {16.C} 180.61557 0.29002 0.45927 ++ {0.0} {i.c} {16.N} 121.01009 0.28755 0.51085 ++ {0.0} {i.n} 0.0 0.2350 1 {} 0 20 {60.H} 8.09060 0.02791 0.04809 ++ {0.0} {i.h} {60.C} 176.45374 0.37209 0.60130 ++ {0.0} {i.c} {60.N} 121.00617 0.29316 0.53219 ++ {0.0} {i.n} 0.0 0.2843 1 {} 0 21 {36.H} 8.66565 0.02468 0.02790 ++ {0.0} {i.h} {35.C} 180.57434 0.30386 0.34260 ++ {0.0} {i-1.c} {36.N} 120.66815 0.29086 0.34250 ++ {0.0} {i.n} 0.0 0.0638 1 {} 0 22 {44.H} 9.14289 0.02018 0.02496 ++ {0.0} {i.h} {44.C} 178.58852 0.33521 0.39854 ++ {0.0} {i.c} {44.N} 120.62717 0.32742 0.42488 ++ {0.0} {i.n} 0.0 0.0748 1 {} 0 23 {36.H} 8.66849 0.02565 0.04358 ++ {0.0} {i.h} {36.C} 177.20497 0.31532 0.48062 ++ {0.0} {i.c} {36.N} 120.67519 0.30534 0.52929 ++ {0.0} {i.n} 0.0 0.1970 1 {} 0 24 {47.H} 8.02580 0.02692 0.04078 ++ {0.0} {i.h} {47.C} 177.19775 0.29316 0.42133 ++ {0.0} {i.c} {47.N} 120.65399 0.31812 0.51800 ++ {0.0} {i.n} 0.0 0.1413 1 {} 0 25 {10.H} 8.16706 0.02543 0.04273 ++ {0.0} {i.h} {10.C} 176.89743 0.31298 0.48762 ++ {0.0} {i.c} {10.N} 120.68507 0.32195 0.55970 ++ {0.0} {i.n} 0.0 0.2008 1 {} 0 26 {7.H} 8.30451 0.01851 0.01998 ++ {0.0} {i.h} {7.C} 176.38997 0.30803 0.32855 ++ {0.0} {i.c} {7.N} 120.68681 0.32132 0.35502 ++ {0.0} {i.n} 0.0 0.0587 1 {} 0 27 {10.H} 8.17754 0.01574 0.01795 ++ {0.0} {i.h} {9.C} 173.47166 0.28229 0.33225 ++ {0.0} {i-1.c} {10.N} 120.68194 0.28137 0.36114 ++ {0.0} {i.n} 0.0 0.0733 1 {} 0 28 {35.H} 7.78268 0.02617 0.04130 ++ {0.0} {i.h} {35.C} 180.55659 0.32325 0.50850 ++ {0.0} {i.c} {35.N} 120.33946 0.27909 0.50855 ++ {0.0} {i.n} 0.0 0.2952 1 {} 0 29 {20.H} 7.77312 0.02262 0.03721 ++ {0.0} {i.h} {19.C} 179.55771 0.39910 0.58094 ++ {0.0} {i-1.c} {20.N} 120.34178 0.29523 0.50518 ++ {0.0} {i.n} 0.0 0.1818 1 {} 0 30 {35.H} 7.78688 0.02387 0.02682 ++ {0.0} {i.h} {34.C} 178.23877 0.34337 0.38784 ++ {0.0} {i-1.c} {35.N} 120.33153 0.26368 0.32550 ++ {0.0} {i.n} 0.0 0.0686 1 {} 0 31 {21.H} 7.89879 0.01819 0.03197 ++ {0.0} {i.h} {21.C} 179.05582 0.38015 0.61311 ++ {0.0} {i.c} {21.N} 120.00198 0.28861 0.49702 ++ {0.0} {i.n} 0.0 0.1889 1 {} 0 32 {42.H} 8.27517 0.02529 0.04476 ++ {0.0} {i.h} {42.C} 176.19334 0.27392 0.42961 ++ {0.0} {i.c} {42.N} 120.01504 0.25902 0.46910 ++ {0.0} {i.n} 0.0 0.2779 1 {} 0 33 {49.H} 8.58852 0.01270 0.02233 ++ {0.0} {i.h} {49.C} 177.53603 0.28016 0.39558 ++ {0.0} {i.c} {49.N} 119.63482 0.31300 0.49102 ++ {0.0} {i.n} 0.0 0.1217 1 {} 0 34 {59.H} 7.88140 0.01281 0.01443 ++ {0.0} {i.h} {58.C} 177.53101 0.36426 0.38917 ++ {0.0} {i-1.c} {59.N} 119.67268 0.28483 0.32018 ++ {0.0} {i.n} 0.0 0.0599 1 {} 0 35 {58.H} 7.48900 0.02479 0.04959 ++ {0.0} {i.h} {58.C} 177.52477 0.37759 0.59551 ++ {0.0} {i.c} {58.N} 119.68979 0.32270 0.57357 ++ {0.0} {i.n} 0.0 0.2359 1 {} 0 36 {59.H} 7.88943 0.02383 0.04112 ++ {0.0} {i.h} {59.C} 176.68588 0.28732 0.44923 ++ {0.0} {i.c} {59.N} 119.69157 0.30683 0.54241 ++ {0.0} {i.n} 0.0 0.2261 1 {} 0 37 {} 8.18939 0.01941 0.02526 ++ {0.0} {} {} 179.38177 0.16930 0.24163 ++ {0.0} {} {} 119.31835 0.24504 0.32427 ++ {0.0} {} 0.0 0.0776 1 {} 0 38 {33.H} 8.47599 0.02215 0.04354 ++ {0.0} {i.h} {33.C} 177.73955 0.30288 0.51132 ++ {0.0} {i.c} {33.N} 119.33926 0.28978 0.52920 ++ {0.0} {i.n} 0.0 0.3022 1 {} 0 39 {32.H} 7.69950 0.02191 0.03452 ++ {0.0} {i.h} {32.C} 177.75494 0.28446 0.39007 ++ {0.0} {i.c} {32.N} 119.31897 0.31559 0.49782 ++ {0.0} {i.n} 0.0 0.1242 1 {} 0 40 {17.H} 7.73586 0.02557 0.04054 ++ {0.0} {i.h} {17.C} 179.70467 0.32287 0.45937 ++ {0.0} {i.c} {17.N} 118.98253 0.32969 0.55500 ++ {0.0} {i.n} 0.0 0.1658 1 {} 0 41 {19.H} 8.18474 0.01717 0.03365 ++ {0.0} {i.h} {19.C} 179.68134 0.27449 0.46296 ++ {0.0} {i.c} {19.N} 119.01192 0.28556 0.48754 ++ {0.0} {i.n} 0.0 0.1794 1 {} 0 42 {52.H} 8.22102 0.01743 0.03382 ++ {0.0} {i.h} {52.C} 178.93298 0.29644 0.49003 ++ {0.0} {i.c} {52.N} 119.00915 0.27423 0.49521 ++ {0.0} {i.n} 0.0 0.2704 1 {} 0 43 {19.H} 8.18742 0.02149 0.02373 ++ {0.0} {i.h} {18.C} 177.91695 0.31778 0.33935 ++ {0.0} {i-1.c} {19.N} 118.99234 0.28689 0.32196 ++ {0.0} {i.n} 0.0 0.0598 1 {} 0 44 {51.H} 9.01283 0.01514 0.02033 ++ {0.0} {i.h} {51.C} 177.78552 0.25426 0.31732 ++ {0.0} {i.c} {51.N} 119.01975 0.30620 0.41348 ++ {0.0} {i.n} 0.0 0.0808 1 {} 0 45 {52.H} 8.22481 0.01513 0.02735 ++ {0.0} {i.h} {51.C} 177.75027 0.31005 0.41586 ++ {0.0} {i-1.c} {52.N} 118.99638 0.24842 0.38161 ++ {0.0} {i.n} 0.0 0.1132 1 {} 0 46 {45.H} 8.34565 0.02080 0.03605 ++ {0.0} {i.h} {45.C} 177.97371 0.31924 0.49589 ++ {0.0} {i.c} {45.N} 118.66669 0.29615 0.51580 ++ {0.0} {i.n} 0.0 0.2032 1 {} 0 47 {34.H} 7.96229 0.01514 0.02397 ++ {0.0} {i.h} {34.C} 178.21407 0.23175 0.36218 ++ {0.0} {i.c} {34.N} 118.31520 0.26449 0.41526 ++ {0.0} {i.n} 0.0 0.1221 1 {} 0 48 {57.H} 7.36208 0.02723 0.04740 ++ {0.0} {i.h} {57.C} 177.35951 0.34636 0.55660 ++ {0.0} {i.c} {57.N} 118.32747 0.29340 0.53065 ++ {0.0} {i.n} 0.0 0.2744 1 {} 0 49 {56.H} 7.49003 0.02178 0.02739 ++ {0.0} {i.h} {55.C} 178.95935 0.29409 0.35937 ++ {0.0} {i-1.c} {56.N} 117.99615 0.26651 0.35761 ++ {0.0} {i.n} 0.0 0.0798 1 {} 0 50 {53.H} 8.31922 0.01408 0.01660 ++ {0.0} {i.h} {52.C} 178.93585 0.32202 0.37482 ++ {0.0} {i-1.c} {53.N} 118.00934 0.26380 0.33097 ++ {0.0} {i.n} 0.0 0.0704 1 {} 0 51 {13.H} 8.41465 0.01403 0.01820 ++ {0.0} {i.h} {} 178.03355 0.28329 0.31373 ++ {0.0} {i-1.c} {13.N} 117.99713 0.27386 0.32201 ++ {0.0} {i.n} 0.0 0.0637 1 {} 0 52 {53.H} 8.32002 0.01937 0.03897 ++ {0.0} {i.h} {53.C} 177.74086 0.24527 0.41451 ++ {0.0} {i.c} {53.N} 118.00829 0.27014 0.48104 ++ {0.0} {i.n} 0.0 0.2394 1 {} 0 53 {56.H} 7.49162 0.02631 0.03999 ++ {0.0} {i.h} {56.C} 177.54053 0.32001 0.50663 ++ {0.0} {i.c} {56.N} 118.01220 0.30887 0.54428 ++ {0.0} {i.n} 0.0 0.2207 1 {} 0 54 {13.H} 8.41877 0.01620 0.02858 ++ {0.0} {i.h} {13.C} 176.92580 0.31542 0.47403 ++ {0.0} {i.c} {13.N} 118.01142 0.30224 0.51730 ++ {0.0} {i.n} 0.0 0.1820 1 {} 0 55 {55.H} 7.96476 0.02582 0.04358 ++ {0.0} {i.h} {55.C} 178.91135 0.34630 0.52958 ++ {0.0} {i.c} {55.N} 117.67256 0.27118 0.46860 ++ {0.0} {i.n} 0.0 0.1930 1 {} 0 56 {} 7.62859 0.01065 0.01369 ++ {0.0} {} {} 176.44370 0.26644 0.30509 ++ {0.0} {} {} 117.62483 0.25113 0.30977 ++ {0.0} {} 0.0 0.0685 1 {} 0 57 {} 7.99258 0.01900 0.03937 ++ {0.0} {} {} 180.25542 0.28062 0.44217 ++ {0.0} {} {} 117.32240 0.26506 0.48027 ++ {0.0} {} 0.0 0.2792 -1 {} 0 58 {} 7.99387 0.01787 0.02871 ++ {0.0} {} {} 178.02765 0.24178 0.32058 ++ {0.0} {} {} 117.31276 0.23288 0.35233 ++ {0.0} {} 0.0 0.1078 -1 {} 0 59 {24.H} 7.62845 0.01989 0.03679 ++ {0.0} {i.h} {24.C} 176.18654 0.28865 0.39992 ++ {0.0} {i.c} {24.N} 117.35136 0.31030 0.49730 ++ {0.0} {i.n} 0.0 0.1321 1 {} 0 60 {41.H} 8.01773 0.02037 0.03485 ++ {0.0} {i.h} {41.C} 173.85417 0.29806 0.40653 ++ {0.0} {i.c} {41.N} 117.33994 0.30598 0.47805 ++ {0.0} {i.n} 0.0 0.1200 1 {} 0 61 {9.H} 8.18233 0.01719 0.01833 ++ {0.0} {i.h} {9.C} 173.39146 0.26310 0.28567 ++ {0.0} {i.c} {9.N} 117.33961 0.27584 0.30606 ++ {0.0} {i.n} 0.0 0.0590 1 {} 0 62 {25.H} 8.34083 0.02445 0.02825 ++ {0.0} {i.h} {24.C} 176.25745 0.31188 0.36884 ++ {0.0} {i-1.c} {25.N} 116.68822 0.26051 0.33363 ++ {0.0} {i.n} 0.0 0.0730 1 {} 0 63 {25.H} 8.33818 0.02341 0.04165 ++ {0.0} {i.h} {25.C} 173.33269 0.31329 0.49344 ++ {0.0} {i.c} {25.N} 116.65758 0.27672 0.49098 ++ {0.0} {i.n} 0.0 0.2326 1 {} 0 64 {31.H} 8.33129 0.01946 0.03913 ++ {0.0} {i.h} {31.C} 178.51736 0.31223 0.48877 ++ {0.0} {i.c} {31.N} 115.99480 0.27849 0.50606 ++ {0.0} {i.n} 0.0 0.2871 1 {} 0 65 {31.H} 8.33253 0.01199 0.01375 ++ {0.0} {i.h} {30.C} 177.96365 0.35280 0.39015 ++ {0.0} {i-1.c} {31.N} 115.98145 0.27254 0.31806 ++ {0.0} {i.n} 0.0 0.0630 1 {} 0 66 {14.H} 7.76333 0.01966 0.03649 ++ {0.0} {i.h} {14.C} 177.37512 0.40432 0.61511 ++ {0.0} {i.c} {14.N} 115.99966 0.29639 0.49381 ++ {0.0} {i.n} 0.0 0.1572 1 {} 0 67 {27.H} 7.98324 0.01974 0.03499 ++ {0.0} {i.h} {27.C} 174.76073 0.28317 0.41583 ++ {0.0} {i.c} {27.N} 114.96792 0.30558 0.49574 ++ {0.0} {i.n} 0.0 0.1390 1 {} 0 68 {11.H} 9.19432 0.01123 0.02793 ++ {0.0} {i.h} {11.C} 175.65471 0.29419 0.38648 ++ {0.0} {i.c} {11.N} 114.61186 0.31873 0.47510 ++ {0.0} {i.n} 0.0 0.1031 1 {} 0 69 {38.H} 8.02196 0.01827 0.02560 ++ {0.0} {i.h} {37.C} 180.12703 0.28323 0.37158 ++ {0.0} {i-1.c} {38.N} 114.30898 0.27247 0.39427 ++ {0.0} {i.n} 0.0 0.0949 1 {} 0 70 {38.H} 8.01941 0.02287 0.04060 ++ {0.0} {i.h} {38.C} 178.10243 0.32666 0.49179 ++ {0.0} {i.c} {38.N} 114.32262 0.29271 0.51649 ++ {0.0} {i.n} 0.0 0.2229 1 {} 0 71 {23.H} 7.92711 0.02069 0.03607 ++ {0.0} {i.h} {23.C} 176.98595 0.30080 0.46316 ++ {0.0} {i.c} {23.N} 114.32651 0.27963 0.49897 ++ {0.0} {i.n} 0.0 0.2435 1 {} 0 72 {23.H} 7.93414 0.00882 0.00953 ++ {0.0} {i.h} {22.C} 176.25050 0.31635 0.33171 ++ {0.0} {i-1.c} {23.N} 114.31969 0.25784 0.27858 ++ {0.0} {i.n} 0.0 0.0571 1 {} 0 73 {15.H} 8.53229 0.01480 0.01730 ++ {0.0} {i.h} {14.C} 177.30414 0.26635 0.30889 ++ {0.0} {i-1.c} {15.N} 113.62655 0.27789 0.33293 ++ {0.0} {i.n} 0.0 0.0655 1 {} 0 74 {15.H} 8.52612 0.01510 0.02287 ++ {0.0} {i.h} {15.C} 175.59708 0.27130 0.36473 ++ {0.0} {i.c} {15.N} 113.63349 0.30211 0.44473 ++ {0.0} {i.n} 0.0 0.0994 1 {} 0 75 {40.H} 8.39901 0.02278 0.02458 ++ {0.0} {i.h} {39.C} 179.74760 0.31116 0.32351 ++ {0.0} {i-1.c} {40.N} 112.98171 0.25749 0.27486 ++ {0.0} {i.n} 0.0 0.0563 1 {} 0 76 {40.H} 8.40239 0.02630 0.03862 ++ {0.0} {i.h} {40.C} 176.40123 0.28929 0.43058 ++ {0.0} {i.c} {40.N} 112.98632 0.28965 0.48053 ++ {0.0} {i.n} 0.0 0.1540 1 {} 0 77 {29.H} 7.64311 0.02286 0.02925 ++ {0.0} {i.h} {29.C} 175.06601 0.30527 0.38775 ++ {0.0} {i.c} {29.N} 111.87219 0.32445 0.45482 ++ {0.0} {i.n} 0.0 0.0878 1 {} 0 78 {29.H} 7.63527 0.00772 0.00809 ++ {0.0} {i.h} {28.C} 178.45543 0.26665 0.27459 ++ {0.0} {i-1.c} {29.N} 111.65916 0.29909 0.31335 ++ {0.0} {i.n} 0.0 0.0551 1 {} 0 79 {43.H} 8.76195 0.03045 0.04734 ++ {0.0} {i.h} {43.C} 176.30292 0.32517 0.47424 ++ {0.0} {i.c} {43.N} 109.32632 0.31853 0.53845 ++ {0.0} {i.n} 0.0 0.1696 1 {} 0 80 {18.H} 8.18443 0.01545 0.01170 ++ {0.0} {i.h} {17.C} 179.83086 0.22992 0.20206 ++ {0.0} {i-1.c} {18.N} 123.37173 0.24548 0.20509 ++ {0.0} {i.n} 0.0 0.0450 1 {} 0 81 {54.H} 8.16110 0.01706 0.02161 ++ {0.0} {i.h} {53.C} 177.69142 0.23944 0.31262 ++ {0.0} {i-1.c} {54.N} 123.01210 0.25756 0.35667 ++ {0.0} {i.n} 0.0 0.0852 1 {} 0 82 {30.H} 8.86224 0.01071 0.01522 ++ {0.0} {i.h} {29.C} 175.03104 0.29456 0.24823 ++ {0.0} {i-1.c} {30.N} 122.67845 0.24138 0.17206 ++ {0.0} {i.n} 0.0 0.0407 1 {} 0 83 {8.H} 8.56701 0.01749 0.01979 ++ {0.0} {i.h} {8.C} 175.57433 0.24416 0.27864 ++ {0.0} {i.c} {8.N} 122.66534 0.28589 0.34865 ++ {0.0} {i.n} 0.0 0.0430 1 {} 0 84 {8.H} 8.56562 0.00838 0.00692 ++ {0.0} {i.h} {7.C} 176.28328 0.26841 0.23541 ++ {0.0} {i-1.c} {8.N} 122.64994 0.21274 0.17575 ++ {0.0} {i.n} 0.0 0.0286 1 {} 0 85 {16.H} 8.23497 0.00989 0.01898 ++ {0.0} {i.h} {15.C} 175.66055 0.20635 0.28480 ++ {0.0} {i-1.c} {16.N} 120.99684 0.21417 0.30550 ++ {0.0} {i.n} 0.0 0.0468 1 {} 0 86 {7.H} 8.30584 0.01336 0.01784 ++ {0.0} {i.h} {6.C} 173.70857 0.26538 0.33882 ++ {0.0} {i-1.c} {7.N} 120.67191 0.27098 0.36854 ++ {0.0} {i.n} 0.0 0.0419 1 {} 0 87 {47.H} 8.02906 0.00856 0.02418 ++ {0.0} {i.h} {46.C} 180.25531 0.24431 0.31247 ++ {0.0} {i-1.c} {47.N} 120.66678 0.27440 0.38588 ++ {0.0} {i.n} 0.0 0.0452 1 {} 0 88 {} 9.14719 0.01017 0.01452 ++ {0.0} {} {} 176.38745 0.29189 0.37710 ++ {0.0} {} {} 120.36583 0.32018 0.45740 ++ {0.0} {} 0.0 0.0470 1 {} 0 89 {42.H} 8.27142 0.01221 0.01743 ++ {0.0} {i.h} {41.C} 173.84341 0.28125 0.32387 ++ {0.0} {i-1.c} {42.N} 119.99567 0.26650 0.33122 ++ {0.0} {i.n} 0.0 0.0355 1 {} 0 90 {26.H} 8.64118 0.01991 0.02569 ++ {0.0} {i.h} {26.C} 173.27159 0.35639 0.46439 ++ {0.0} {i.c} {26.N} 119.39034 0.32600 0.47501 ++ {0.0} {i.n} 0.0 0.0494 1 {} 0 91 {49.H} 8.59887 0.01318 0.01693 ++ {0.0} {i.h} {48.C} 180.31183 0.29812 0.35243 ++ {0.0} {i-1.c} {49.N} 119.46927 0.29903 0.39399 ++ {0.0} {i.n} 0.0 0.0315 1 {} 0 92 {51.H} 8.99877 0.01285 0.01563 ++ {0.0} {i.h} {50.C} 180.23457 0.27373 0.32302 ++ {0.0} {i-1.c} {51.N} 119.29069 0.30152 0.38209 ++ {0.0} {i.n} 0.0 0.0293 1 {} 0 93 {32.H} 7.70720 0.00902 0.02074 ++ {0.0} {i.h} {31.C} 178.58949 0.18046 0.26186 ++ {0.0} {i-1.c} {32.N} 119.10720 0.27092 0.42684 ++ {0.0} {i.n} 0.0 0.0405 1 {} 0 94 {45.H} 8.34110 0.01979 0.02759 ++ {0.0} {i.h} {44.C} 178.61090 0.46591 0.54469 ++ {0.0} {i-1.c} {45.N} 118.74420 0.30586 0.40975 ++ {0.0} {i.n} 0.0 0.0325 1 {} 0 95 {55.H} 7.96433 0.01171 0.02415 ++ {0.0} {i.h} {54.C} 179.52872 0.32762 0.47235 ++ {0.0} {i-1.c} {55.N} 117.67419 0.23799 0.32778 ++ {0.0} {i.n} 0.0 0.0345 1 {} 0 96 {24.H} 7.62952 0.00892 0.01648 ++ {0.0} {i.h} {23.C} 176.90457 0.25137 0.31514 ++ {0.0} {i-1.c} {24.N} 117.33470 0.25470 0.37506 ++ {0.0} {i.n} 0.0 0.0407 1 {} 0 97 {9.H} 8.17719 0.01734 0.01859 ++ {0.0} {i.h} {8.C} 175.61023 0.28236 0.30521 ++ {0.0} {i-1.c} {9.N} 117.31199 0.25788 0.28862 ++ {0.0} {i.n} 0.0 0.0244 1 {} 0 98 {41.H} 8.01839 0.02029 0.03509 ++ {0.0} {i.h} {40.C} 176.36917 0.26121 0.36414 ++ {0.0} {i-1.c} {41.N} 117.34740 0.29452 0.43951 ++ {0.0} {i.n} 0.0 0.0423 1 {} 0 99 {14.H} 7.76289 0.01966 0.04768 ++ {0.0} {i.h} {13.C} 176.75504 0.40432 0.68610 ++ {0.0} {i-1.c} {14.N} 115.99966 0.29639 0.55229 ++ {0.0} {i.n} 0.0 0.1572 1 {} 0 100 {27.H} 7.98613 0.02032 0.03155 ++ {0.0} {i.h} {26.C} 173.21207 0.32070 0.41749 ++ {0.0} {i-1.c} {27.N} 114.98992 0.27732 0.40300 ++ {0.0} {i.n} 0.0 0.0393 1 {} 0 101 {11.H} 9.19489 0.00777 0.01254 ++ {0.0} {i.h} {10.C} 176.90549 0.21147 0.28664 ++ {0.0} {i-1.c} {11.N} 114.35274 0.26652 0.39501 ++ {0.0} {i.n} 0.0 0.0415 1 {} 0 102 {} 7.55639 0.00913 0.01288 ++ {0.0} {} {} 180.15735 0.27363 0.32761 ++ {0.0} {} {} 110.65462 0.24163 0.32411 ++ {0.0} {} 0.0 0.0261 1 {} 0 103 {6.H} 8.47707 0.01698 0.03737 ++ {0.0} {i.h} {6.C} 173.77722 0.24471 0.32390 ++ {0.0} {i.c} {6.N} 110.35157 0.29890 0.43804 ++ {0.0} {i.n} 0.0 0.0321 1 {} 0 104 {12.H} 9.09891 0.01596 0.01582 ++ {0.0} {i.h} {12.C} 177.83199 0.36158 0.35791 ++ {0.0} {i.c} {12.N} 123.33335 0.35376 0.34701 ++ {0.0} {i.n} 0.0 0.0135 1 {} 0 105 {5.H} 8.50889 0.01007 0.01877 ++ {0.0} {i.h} {} 176.23502 0.30153 0.40882 ++ {0.0} {i.c} {5.N} 123.68456 0.26417 0.40728 ++ {0.0} {i.n} 0.0 0.0469 1 {} 0 106 {20.H} 7.77168 0.02262 0.04168 ++ {0.0} {i.h} {20.C} 179.21559 0.39910 0.61934 ++ {0.0} {i.c} {20.N} 120.34178 0.29523 0.54680 ++ {0.0} {i.n} 0.0 0.1818 0 {} 0 107 {46.H} 7.99258 0.01900 0.03243 ++ {0.0} {i.h} {46.C} 180.25542 0.28062 0.40152 ++ {0.0} {i.c} {46.N} 117.32240 0.26506 0.43289 ++ {0.0} {i.n} 0.0 0.2792 0 {} 0 108 {46.H} 7.99387 0.01710 0.01777 ++ {0.0} {i.h} {45.C} 178.02765 0.24178 0.24947 ++ {0.0} {i-1.c} {46.N} 117.31276 0.23288 0.24453 ++ {0.0} {i.n} 0.0 0.1078 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 HN . 'not observed' 6300 Hz . . . 4.776 . . 31057 8 2 . . C 13 CO . 'not observed' 3770 Hz . . . 174.000 . . 31057 8 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 8 stop_ save_ save_spectral_peak_list_9 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_9 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 9 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN C13 N15 AbdA_hnco.nv 2580.9921875 3770.08691406 1300.01000977 599.664978027 150.811004639 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {62.H} 7.79335 0.02525 0.04872 ++ {0.0} {i.h} {61.C} 175.39603 0.21857 0.41440 ++ {0.0} {i-1.c} {62.N} 128.33966 0.32418 0.64228 ++ {0.0} {i.n} 0.0 1.6610 1 {} 0 1 {} 8.10281 0.03438 0.05048 ++ {0.0} {} {} 184.97527 0.21091 0.26045 ++ {0.0} {} {} 126.34902 0.29075 0.40328 ++ {0.0} {} 0.0 0.0508 1 {} 0 2 {37.H} 8.37141 0.02373 0.06156 ++ {0.0} {i.h} {36.C} 177.22549 0.24243 0.43573 ++ {0.0} {i-1.c} {37.N} 124.34200 0.30495 0.59861 ++ {0.0} {i.n} 0.0 0.8399 1 {} 0 3 {} 8.52033 0.03527 0.08961 ++ {0.0} {} {} 174.48170 0.23266 0.37809 ++ {0.0} {} {} 124.35236 0.30123 0.55916 ++ {0.0} {} 0.0 0.2165 1 {} 0 4 {} 7.52683 0.01353 0.01622 ++ {0.0} {} {} 180.44310 0.28458 0.33041 ++ {0.0} {} {} 123.66160 0.31239 0.38658 ++ {0.0} {} 0.0 0.0408 1 {} 0 5 {18.H} 8.19213 0.02691 0.06216 ++ {0.0} {i.h} {17.C} 179.71066 0.23720 0.41112 ++ {0.0} {i-1.c} {18.N} 123.40474 0.33720 0.64731 ++ {0.0} {i.n} 0.0 0.3875 1 {} 0 6 {5.H} 8.50140 0.03018 0.08156 ++ {0.0} {i.h} {4.C} 176.23318 0.20605 0.37823 ++ {0.0} {i-1.c} {5.N} 123.42324 0.38295 0.74218 ++ {0.0} {i.n} 0.0 0.3967 1 {} 0 7 {12.H} 9.08878 0.03577 0.08108 ++ {0.0} {i.h} {11.C} 175.64767 0.21425 0.33821 ++ {0.0} {i-1.c} {12.N} 123.34133 0.28976 0.51042 ++ {0.0} {i.n} 0.0 0.1305 1 {} 0 8 {54.H} 8.16088 0.02464 0.06327 ++ {0.0} {i.h} {53.C} 177.74875 0.22696 0.41752 ++ {0.0} {i-1.c} {54.N} 123.01608 0.29919 0.58659 ++ {0.0} {i.n} 0.0 0.7895 1 {} 0 9 {8.H} 8.55994 0.03060 0.06664 ++ {0.0} {i.h} {7.C} 176.30945 0.22516 0.37834 ++ {0.0} {i-1.c} {8.N} 122.57603 0.32718 0.60111 ++ {0.0} {i.n} 0.0 0.1913 1 {} 0 10 {30.H} 8.85705 0.02609 0.07280 ++ {0.0} {i.h} {29.C} 175.07571 0.23697 0.40314 ++ {0.0} {i-1.c} {30.N} 122.67778 0.29924 0.57546 ++ {0.0} {i.n} 0.0 0.4047 1 {} 0 11 {50.H} 8.16177 0.02401 0.06434 ++ {0.0} {i.h} {49.C} 177.53250 0.20948 0.39410 ++ {0.0} {i-1.c} {50.N} 122.33311 0.31376 0.61303 ++ {0.0} {i.n} 0.0 0.6739 1 {} 0 12 {61.H} 8.24645 0.02353 0.05412 ++ {0.0} {i.h} {60.C} 176.38626 0.23449 0.42004 ++ {0.0} {i-1.c} {61.N} 122.00658 0.29618 0.58658 ++ {0.0} {i.n} 0.0 1.5963 1 {} 0 13 {39.H} 8.18979 0.02013 0.05499 ++ {0.0} {i.h} {38.C} 178.01785 0.23639 0.42847 ++ {0.0} {i-1.c} {39.N} 121.67587 0.29499 0.58097 ++ {0.0} {i.n} 0.0 1.0181 1 {} 0 14 {48.H} 8.56170 0.02367 0.06256 ++ {0.0} {i.h} {47.C} 177.18144 0.23828 0.42323 ++ {0.0} {i-1.c} {48.N} 121.65191 0.32707 0.63861 ++ {0.0} {i.n} 0.0 0.6556 1 {} 0 15 {28.H} 8.41455 0.03120 0.07671 ++ {0.0} {i.h} {27.C} 174.72618 0.23966 0.42323 ++ {0.0} {i-1.c} {28.N} 121.68119 0.30867 0.60101 ++ {0.0} {i.n} 0.0 0.5881 1 {} 0 16 {22.H} 9.05795 0.02312 0.05427 ++ {0.0} {i.h} {21.C} 178.98793 0.24325 0.43215 ++ {0.0} {i-1.c} {22.N} 121.33588 0.30880 0.59914 ++ {0.0} {i.n} 0.0 0.5206 1 {} 0 17 {60.H} 8.09232 0.02559 0.06306 ++ {0.0} {i.h} {59.C} 176.62831 0.23856 0.42226 ++ {0.0} {i-1.c} {60.N} 121.00690 0.29539 0.58241 ++ {0.0} {i.n} 0.0 1.0991 1 {} 0 18 {16.H} 8.23274 0.02354 0.05577 ++ {0.0} {i.h} {15.C} 175.56508 0.23099 0.42868 ++ {0.0} {i-1.c} {16.N} 121.00993 0.29875 0.58676 ++ {0.0} {i.n} 0.0 0.8665 1 {} 0 19 {36.H} 8.67096 0.02533 0.06750 ++ {0.0} {i.h} {35.C} 180.56059 0.22698 0.42480 ++ {0.0} {i-1.c} {36.N} 120.68887 0.33273 0.64988 ++ {0.0} {i.n} 0.0 0.6647 1 {} 0 20 {47.H} 8.02505 0.02592 0.06764 ++ {0.0} {i.h} {46.C} 180.28058 0.22746 0.41529 ++ {0.0} {i-1.c} {47.N} 120.62929 0.32782 0.63567 ++ {0.0} {i.n} 0.0 0.5111 1 {} 0 21 {44.H} 9.14203 0.02400 0.06126 ++ {0.0} {i.h} {43.C} 176.31387 0.23014 0.41108 ++ {0.0} {i-1.c} {44.N} 120.58729 0.33396 0.63648 ++ {0.0} {i.n} 0.0 0.3306 1 {} 0 22 {10.H} 8.16882 0.02927 0.06440 ++ {0.0} {i.h} {9.C} 173.42575 0.23098 0.41843 ++ {0.0} {i-1.c} {10.N} 120.68156 0.31579 0.62068 ++ {0.0} {i.n} 0.0 0.9027 1 {} 0 23 {35.H} 7.78293 0.02390 0.06729 ++ {0.0} {i.h} {34.C} 178.14719 0.23995 0.43096 ++ {0.0} {i-1.c} {35.N} 120.34009 0.29852 0.58764 ++ {0.0} {i.n} 0.0 0.9885 1 {} 0 24 {21.H} 7.90003 0.02439 0.06858 ++ {0.0} {i.h} {20.C} 179.27243 0.24182 0.43410 ++ {0.0} {i-1.c} {21.N} 120.00240 0.29432 0.57728 ++ {0.0} {i.n} 0.0 0.8063 1 {} 0 25 {42.H} 8.27306 0.03154 0.06467 ++ {0.0} {i.h} {41.C} 173.85410 0.23601 0.42143 ++ {0.0} {i-1.c} {42.N} 120.00109 0.29176 0.57189 ++ {0.0} {i.n} 0.0 0.7802 1 {} 0 26 {49.H} 8.59606 0.02374 0.05854 ++ {0.0} {i.h} {48.C} 180.34885 0.23964 0.42167 ++ {0.0} {i-1.c} {49.N} 119.60649 0.32991 0.63775 ++ {0.0} {i.n} 0.0 0.4651 1 {} 0 27 {59.H} 7.88953 0.02446 0.05295 ++ {0.0} {i.h} {58.C} 177.57561 0.23785 0.41320 ++ {0.0} {i-1.c} {59.N} 119.74746 0.33488 0.65297 ++ {0.0} {i.n} 0.0 0.6207 1 {} 0 28 {58.H} 7.49372 0.02236 0.05335 ++ {0.0} {i.h} {57.C} 177.28528 0.23036 0.41947 ++ {0.0} {i-1.c} {58.N} 119.69549 0.33453 0.65631 ++ {0.0} {i.n} 0.0 0.8168 1 {} 0 29 {32.H} 7.70877 0.02559 0.06071 ++ {0.0} {i.h} {31.C} 178.51837 0.21978 0.40806 ++ {0.0} {i-1.c} {32.N} 119.27612 0.32764 0.63337 ++ {0.0} {i.n} 0.0 0.4654 1 {} 0 30 {33.H} 8.47883 0.02410 0.06193 ++ {0.0} {i.h} {32.C} 177.80214 0.24511 0.44012 ++ {0.0} {i-1.c} {33.N} 119.34450 0.31585 0.61892 ++ {0.0} {i.n} 0.0 0.7690 1 {} 0 31 {26.H} 8.65955 0.03022 0.07318 ++ {0.0} {i.h} {25.C} 173.32974 0.23656 0.41826 ++ {0.0} {i-1.c} {26.N} 119.34552 0.31737 0.60305 ++ {0.0} {i.n} 0.0 0.3118 1 {} 0 32 {17.H} 7.73822 0.02546 0.06578 ++ {0.0} {i.h} {16.C} 180.63187 0.23580 0.41463 ++ {0.0} {i-1.c} {17.N} 118.98693 0.32233 0.63356 ++ {0.0} {i.n} 0.0 0.6361 1 {} 0 33 {51.H} 9.00935 0.02575 0.05560 ++ {0.0} {i.h} {50.C} 180.21141 0.24705 0.41744 ++ {0.0} {i-1.c} {51.N} 119.09610 0.33353 0.62701 ++ {0.0} {i.n} 0.0 0.2592 1 {} 0 34 {19.H} 8.18970 0.02840 0.05079 ++ {0.0} {i.h} {18.C} 177.86621 0.24445 0.43480 ++ {0.0} {i-1.c} {19.N} 119.00761 0.30899 0.60301 ++ {0.0} {i.n} 0.0 0.6428 1 {} 0 35 {52.H} 8.22064 0.02447 0.06728 ++ {0.0} {i.h} {51.C} 177.72435 0.23638 0.43188 ++ {0.0} {i-1.c} {52.N} 119.00150 0.29408 0.57811 ++ {0.0} {i.n} 0.0 0.9105 1 {} 0 36 {45.H} 8.34454 0.02194 0.06074 ++ {0.0} {i.h} {44.C} 178.57474 0.23274 0.42554 ++ {0.0} {i-1.c} {45.N} 118.67443 0.31335 0.61472 ++ {0.0} {i.n} 0.0 0.8137 1 {} 0 37 {34.H} 7.97437 0.02498 0.06351 ++ {0.0} {i.h} {33.C} 177.70970 0.24211 0.42719 ++ {0.0} {i-1.c} {34.N} 118.27341 0.32595 0.62888 ++ {0.0} {i.n} 0.0 0.4408 1 {} 0 38 {57.H} 7.36055 0.02558 0.06274 ++ {0.0} {i.h} {56.C} 177.53764 0.22008 0.42265 ++ {0.0} {i-1.c} {57.N} 118.33242 0.29723 0.58542 ++ {0.0} {i.n} 0.0 1.0229 1 {} 0 39 {56.H} 7.48783 0.02269 0.05593 ++ {0.0} {i.h} {55.C} 178.92946 0.23826 0.42403 ++ {0.0} {i-1.c} {56.N} 118.01333 0.33298 0.65282 ++ {0.0} {i.n} 0.0 0.7644 1 {} 0 40 {53.H} 8.31866 0.02143 0.05773 ++ {0.0} {i.h} {52.C} 178.89407 0.24169 0.43579 ++ {0.0} {i-1.c} {53.N} 118.00420 0.31091 0.60980 ++ {0.0} {i.n} 0.0 0.8044 1 {} 0 41 {13.H} 8.42185 0.02234 0.05447 ++ {0.0} {i.h} {12.C} 177.98323 0.22706 0.42359 ++ {0.0} {i-1.c} {13.N} 118.01918 0.33251 0.64761 ++ {0.0} {i.n} 0.0 0.5943 1 {} 0 42 {55.H} 7.96424 0.02492 0.07781 ++ {0.0} {i.h} {54.C} 179.44984 0.22757 0.42580 ++ {0.0} {i-1.c} {55.N} 117.66476 0.29385 0.57402 ++ {0.0} {i.n} 0.0 0.6688 1 {} 0 43 {} 7.99744 0.02512 0.06270 ++ {0.0} {} {} 178.01115 0.24316 0.43326 ++ {0.0} {} {} 117.33117 0.30131 0.59127 ++ {0.0} {} 0.0 0.8258 -1 {} 0 44 {24.H} 7.62633 0.02620 0.05531 ++ {0.0} {i.h} {23.C} 176.92229 0.23823 0.42102 ++ {0.0} {i-1.c} {24.N} 117.34862 0.33541 0.65142 ++ {0.0} {i.n} 0.0 0.5385 1 {} 0 45 {41.H} 8.01216 0.02721 0.06045 ++ {0.0} {i.h} {40.C} 176.43019 0.24028 0.42554 ++ {0.0} {i-1.c} {41.N} 117.34382 0.33037 0.64892 ++ {0.0} {i.n} 0.0 0.6231 1 {} 0 46 {9.H} 8.17611 0.03442 0.08436 ++ {0.0} {i.h} {8.C} 175.62746 0.22244 0.40547 ++ {0.0} {i-1.c} {9.N} 117.32729 0.29616 0.56700 ++ {0.0} {i.n} 0.0 0.3641 1 {} 0 47 {25.H} 8.34422 0.02466 0.05452 ++ {0.0} {i.h} {24.C} 176.21288 0.22946 0.42381 ++ {0.0} {i-1.c} {25.N} 116.66350 0.30166 0.59205 ++ {0.0} {i.n} 0.0 0.8328 1 {} 0 48 {31.H} 8.33154 0.02279 0.06141 ++ {0.0} {i.h} {30.C} 178.03178 0.22590 0.43264 ++ {0.0} {i-1.c} {31.N} 115.99174 0.29546 0.58266 ++ {0.0} {i.n} 0.0 1.1121 1 {} 0 49 {14.H} 7.76624 0.02522 0.06591 ++ {0.0} {i.h} {13.C} 176.91768 0.24425 0.43559 ++ {0.0} {i-1.c} {14.N} 115.99493 0.30293 0.59265 ++ {0.0} {i.n} 0.0 0.7132 1 {} 0 50 {} 8.06594 0.01414 0.02251 ++ {0.0} {} {} 177.40298 0.22806 0.33060 ++ {0.0} {} {} 115.01259 0.33054 0.52544 ++ {0.0} {} 0.0 0.0759 1 {} 0 51 {} 7.29483 0.02258 0.03090 ++ {0.0} {} {} 177.36533 0.21893 0.30917 ++ {0.0} {} {} 114.99585 0.33340 0.52996 ++ {0.0} {} 0.0 0.0758 1 {} 0 52 {27.H} 7.99342 0.03115 0.07513 ++ {0.0} {i.h} {26.C} 173.18120 0.23802 0.42077 ++ {0.0} {i-1.c} {27.N} 114.96483 0.32470 0.62871 ++ {0.0} {i.n} 0.0 0.4886 1 {} 0 53 {11.H} 9.19281 0.02689 0.06224 ++ {0.0} {i.h} {10.C} 176.91554 0.22806 0.40194 ++ {0.0} {i-1.c} {11.N} 114.58634 0.32964 0.63326 ++ {0.0} {i.n} 0.0 0.3942 1 {} 0 54 {38.H} 8.02205 0.02186 0.05350 ++ {0.0} {i.h} {37.C} 180.13594 0.23536 0.41934 ++ {0.0} {i-1.c} {38.N} 114.19521 0.33276 0.63796 ++ {0.0} {i.n} 0.0 0.3758 1 {} 0 55 {23.H} 7.93939 0.02134 0.05610 ++ {0.0} {i.h} {22.C} 176.22603 0.23049 0.43494 ++ {0.0} {i-1.c} {23.N} 114.31718 0.29818 0.58350 ++ {0.0} {i.n} 0.0 0.7213 1 {} 0 56 {15.H} 8.52846 0.02378 0.06509 ++ {0.0} {i.h} {14.C} 177.37563 0.23579 0.41839 ++ {0.0} {i-1.c} {15.N} 113.62157 0.32578 0.63377 ++ {0.0} {i.n} 0.0 0.5703 1 {} 0 57 {40.H} 8.40048 0.02730 0.06089 ++ {0.0} {i.h} {39.C} 179.67635 0.24123 0.43010 ++ {0.0} {i-1.c} {40.N} 112.98935 0.31063 0.60545 ++ {0.0} {i.n} 0.0 0.6117 1 {} 0 58 {} 7.53006 0.01423 0.02360 ++ {0.0} {} {} 180.38889 0.23803 0.37833 ++ {0.0} {} {} 112.36078 0.34977 0.61391 ++ {0.0} {} 0.0 0.1271 1 {} 0 59 {53.HD22} 6.86103 0.01982 0.03092 ++ {0.0} {i.h} {} 180.36882 0.23369 0.36494 ++ {0.0} {i-1.c} {53.ND2} 112.33774 0.37595 0.63278 ++ {0.0} {i.n} 0.0 0.0982 1 {} 0 60 {46.HE21} 7.42397 0.01539 0.02103 ++ {0.0} {i.h} {} 175.73683 0.26232 0.35228 ++ {0.0} {i-1.c} {46.NE2} 111.86457 0.33461 0.48263 ++ {0.0} {i.n} 0.0 0.0558 1 {} 0 61 {} 7.43761 0.01616 0.02567 ++ {0.0} {} {} 179.39877 0.21460 0.33417 ++ {0.0} {} {} 111.64664 0.31373 0.51498 ++ {0.0} {} 0.0 0.0868 1 {} 0 62 {} 6.89500 0.02412 0.03042 ++ {0.0} {} {} 179.37007 0.22938 0.29949 ++ {0.0} {} {} 111.62801 0.31697 0.46076 ++ {0.0} {} 0.0 0.0570 1 {} 0 63 {29.H} 7.64608 0.02833 0.06370 ++ {0.0} {i.h} {28.C} 178.48589 0.23628 0.40999 ++ {0.0} {i-1.c} {29.N} 111.71021 0.33819 0.65289 ++ {0.0} {i.n} 0.0 0.4482 1 {} 0 64 {} 6.88270 0.01964 0.02559 ++ {0.0} {} {} 175.70821 0.23261 0.29369 ++ {0.0} {} {} 111.68355 0.34061 0.47717 ++ {0.0} {} 0.0 0.0520 1 {} 0 65 {} 7.54831 0.01377 0.02478 ++ {0.0} {} {} 179.96628 0.24421 0.38492 ++ {0.0} {} {} 110.65402 0.31587 0.55684 ++ {0.0} {} 0.0 0.1313 1 {} 0 66 {} 6.92810 0.01772 0.02839 ++ {0.0} {} {} 179.94702 0.23791 0.35118 ++ {0.0} {} {} 110.64707 0.32824 0.54548 ++ {0.0} {} 0.0 0.0920 1 {} 0 67 {} 7.71825 0.01899 0.02592 ++ {0.0} {} {} 178.36363 0.26027 0.31879 ++ {0.0} {} {} 110.61809 0.32034 0.43274 ++ {0.0} {} 0.0 0.0480 1 {} 0 68 {6.H} 8.46898 0.03335 0.07193 ++ {0.0} {i.h} {} 176.72121 0.24856 0.40858 ++ {0.0} {i-1.c} {6.N} 110.35706 0.33563 0.62482 ++ {0.0} {i.n} 0.0 0.2250 1 {} 0 69 {} 9.31666 0.02978 0.05631 ++ {0.0} {} {} 184.45839 0.24581 0.39749 ++ {0.0} {} {} 109.95300 0.30861 0.54877 ++ {0.0} {} 0.0 0.1403 1 {} 0 70 {43.H} 8.77004 0.02720 0.06337 ++ {0.0} {i.h} {42.C} 176.19688 0.23821 0.41775 ++ {0.0} {i-1.c} {43.N} 109.33206 0.33421 0.64791 ++ {0.0} {i.n} 0.0 0.5074 1 {} 0 71 {50.HE1} 9.91100 0.03154 0.04891 ++ {0.0} {i.h} {} 163.51640 0.23601 0.36534 ++ {0.0} {i-1.c} {50.NE1} 128.78790 0.29176 0.50874 ++ {0.0} {i.n} 0.0 0.7802 1 {} 0 72 {7.H} 8.29611 0.03154 0.04891 ++ {0.0} {i.h} {6.C} 173.86646 0.23601 0.36534 ++ {0.0} {i-1.c} {7.N} 120.74810 0.29176 0.50874 ++ {0.0} {i.n} 0.0 0.7802 0 {} 0 73 {20.H} 7.78330 0.02279 0.03670 ++ {0.0} {i.h} {19.C} 179.73541 0.21439 0.33088 ++ {0.0} {i-1.c} {20.N} 120.37693 0.33279 0.54735 ++ {0.0} {i.n} 0.0 0.5629 0 {} 0 74 {46.H} 7.99744 0.02512 0.04442 ++ {0.0} {i.h} {45.C} 178.01115 0.24316 0.37485 ++ {0.0} {i-1.c} {46.N} 117.33117 0.30131 0.52966 ++ {0.0} {i.n} 0.0 0.8258 0 {} 0 75 {} 8.01216 0.02721 0.04217 ++ {0.0} {} {} 176.43019 0.24028 0.35901 ++ {0.0} {} {} 117.34382 0.33037 0.55470 ++ {0.0} {} 0.0 0.6231 -1 {} 0 76 {} 8.01216 0.02721 0.04217 ++ {0.0} {} {} 176.43019 0.24028 0.35901 ++ {0.0} {} {} 117.34382 0.33037 0.55470 ++ {0.0} {} 0.0 0.6231 -1 {} 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 HN . 'not observed' 6300 Hz . . . 4.776 . . 31057 9 2 . . C 13 CO . 'not observed' 3770 Hz . . . 174.000 . . 31057 9 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 9 stop_ save_ save_spectral_peak_list_10 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_10 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 10 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D HN(CO)CA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN C13 N15 AbdA_hncoca.nv 2580.9921875 4500.0 1300.01000977 599.664978027 150.792999268 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {62.H} 7.79275 0.02568 0.04488 ++ {0.0} {i.h} {61.CA} 56.55531 0.44792 0.82826 ++ {0.0} {i-1.ca} {62.N} 128.34357 0.32660 0.64078 ++ {0.0} {i.n} 0.0 1.1614 1 {} 0 1 {} 8.51660 0.02228 0.02195 ++ {0.0} {} {} 61.94374 0.37678 0.37196 ++ {0.0} {} {} 124.35340 0.25417 0.24893 ++ {0.0} {} 0.0 0.0433 1 {} 0 2 {37.H} 8.36684 0.02287 0.05617 ++ {0.0} {i.h} {36.CA} 64.74065 0.43434 0.78609 ++ {0.0} {i-1.ca} {37.N} 124.34255 0.29885 0.57488 ++ {0.0} {i.n} 0.0 0.5787 1 {} 0 3 {12.H} 9.09115 0.02924 0.04088 ++ {0.0} {i.h} {11.CA} 61.02049 0.36144 0.43055 ++ {0.0} {i-1.ca} {12.N} 123.33862 0.25597 0.32835 ++ {0.0} {i.n} 0.0 0.0616 1 {} 0 4 {5.H} 8.50384 0.03096 0.04353 ++ {0.0} {i.h} {4.CA} 56.17664 0.41548 0.55718 ++ {0.0} {i-1.ca} {5.N} 123.37174 0.47047 0.69732 ++ {0.0} {i.n} 0.0 0.0853 1 {} 0 5 {18.H} 8.19283 0.02684 0.05512 ++ {0.0} {i.h} {17.CA} 58.70040 0.42337 0.69120 ++ {0.0} {i-1.ca} {18.N} 123.37553 0.32097 0.59683 ++ {0.0} {i.n} 0.0 0.3143 1 {} 0 6 {54.H} 8.16138 0.02477 0.05445 ++ {0.0} {i.h} {53.CA} 55.61901 0.44860 0.81323 ++ {0.0} {i-1.ca} {54.N} 123.01585 0.30296 0.57825 ++ {0.0} {i.n} 0.0 0.4836 1 {} 0 7 {30.H} 8.85927 0.02856 0.04984 ++ {0.0} {i.h} {29.CA} 60.33641 0.43068 0.67884 ++ {0.0} {i-1.ca} {30.N} 122.68098 0.29132 0.51817 ++ {0.0} {i.n} 0.0 0.1996 1 {} 0 8 {8.H} 8.56251 0.02856 0.04308 ++ {0.0} {i.h} {7.CA} 56.12914 0.40320 0.55453 ++ {0.0} {i-1.ca} {8.N} 122.62685 0.33027 0.50506 ++ {0.0} {i.n} 0.0 0.0938 1 {} 0 9 {50.H} 8.16212 0.02486 0.05290 ++ {0.0} {i.h} {49.CA} 64.41826 0.40739 0.77885 ++ {0.0} {i-1.ca} {50.N} 122.33437 0.31080 0.59167 ++ {0.0} {i.n} 0.0 0.4587 1 {} 0 10 {61.H} 8.24668 0.02717 0.05517 ++ {0.0} {i.h} {60.CA} 56.52777 0.47113 0.84034 ++ {0.0} {i-1.ca} {61.N} 122.00385 0.30220 0.58987 ++ {0.0} {i.n} 0.0 0.9190 1 {} 0 11 {48.H} 8.56030 0.02276 0.05136 ++ {0.0} {i.h} {47.CA} 64.10041 0.45848 0.79738 ++ {0.0} {i-1.ca} {48.N} 121.63676 0.32375 0.60991 ++ {0.0} {i.n} 0.0 0.3804 1 {} 0 12 {28.H} 8.41648 0.03100 0.06264 ++ {0.0} {i.h} {27.CA} 56.77093 0.44870 0.76991 ++ {0.0} {i-1.ca} {28.N} 121.68308 0.31874 0.59445 ++ {0.0} {i.n} 0.0 0.3272 1 {} 0 13 {39.H} 8.18284 0.02375 0.04804 ++ {0.0} {i.h} {38.CA} 58.41020 0.47806 0.84045 ++ {0.0} {i-1.ca} {39.N} 121.67475 0.29900 0.57723 ++ {0.0} {i.n} 0.0 0.6361 1 {} 0 14 {22.H} 9.05357 0.02590 0.05206 ++ {0.0} {i.h} {21.CA} 59.15901 0.46935 0.79650 ++ {0.0} {i-1.ca} {22.N} 121.34188 0.30467 0.57206 ++ {0.0} {i.n} 0.0 0.3609 1 {} 0 15 {16.H} 8.23294 0.02456 0.05377 ++ {0.0} {i.h} {15.CA} 67.46226 0.46521 0.81939 ++ {0.0} {i-1.ca} {16.N} 121.00925 0.30335 0.57523 ++ {0.0} {i.n} 0.0 0.4258 1 {} 0 16 {60.H} 8.09239 0.02241 0.04772 ++ {0.0} {i.h} {59.CA} 56.95692 0.45359 0.81877 ++ {0.0} {i-1.ca} {60.N} 121.00468 0.29490 0.57011 ++ {0.0} {i.n} 0.0 0.6615 1 {} 0 17 {44.H} 9.14467 0.01768 0.03333 ++ {0.0} {i.h} {43.CA} 60.39473 0.42313 0.68959 ++ {0.0} {i-1.ca} {44.N} 120.57080 0.32404 0.56810 ++ {0.0} {i.n} 0.0 0.1790 1 {} 0 18 {36.H} 8.67009 0.02594 0.05255 ++ {0.0} {i.h} {} 59.68839 0.44581 0.76789 ++ {0.0} {i-1.ca} {36.N} 120.67915 0.31212 0.59722 ++ {0.0} {i.n} 0.0 0.5102 1 {} 0 19 {7.H} 8.30399 0.03507 0.07343 ++ {0.0} {i.h} {6.CA} 45.10321 0.40057 0.57467 ++ {0.0} {i-1.ca} {7.N} 120.73501 0.33425 0.55905 ++ {0.0} {i.n} 0.0 0.1349 1 {} 0 20 {10.H} 8.17285 0.03085 0.05563 ++ {0.0} {i.h} {9.CA} 61.99543 0.48454 0.83976 ++ {0.0} {i-1.ca} {10.N} 120.69476 0.33591 0.63827 ++ {0.0} {i.n} 0.0 0.4421 1 {} 0 21 {47.H} 8.02535 0.02088 0.04139 ++ {0.0} {i.h} {46.CA} 59.46448 0.42206 0.73127 ++ {0.0} {i-1.ca} {47.N} 120.63625 0.33057 0.61679 ++ {0.0} {i.n} 0.0 0.3293 1 {} 0 22 {35.H} 7.78391 0.02292 0.04480 ++ {0.0} {i.h} {34.CA} 65.45428 0.44817 0.83597 ++ {0.0} {i-1.ca} {35.N} 120.34002 0.29424 0.56980 ++ {0.0} {i.n} 0.0 0.6958 1 {} 0 23 {20.H} 7.77620 0.02409 0.05246 ++ {0.0} {i.h} {19.CA} 59.22238 0.45079 0.80589 ++ {0.0} {i-1.ca} {20.N} 120.34332 0.30344 0.58339 ++ {0.0} {i.n} 0.0 0.5706 1 {} 0 24 {42.H} 8.28056 0.03287 0.06068 ++ {0.0} {i.h} {41.CA} 60.40793 0.47207 0.85259 ++ {0.0} {i-1.ca} {42.N} 120.00383 0.29595 0.56472 ++ {0.0} {i.n} 0.0 0.4808 1 {} 0 25 {21.H} 7.89774 0.02593 0.06505 ++ {0.0} {i.h} {20.CA} 59.82863 0.46251 0.80540 ++ {0.0} {i-1.ca} {21.N} 120.00052 0.30421 0.58184 ++ {0.0} {i.n} 0.0 0.5055 1 {} 0 26 {26.H} 8.64598 0.03128 0.04066 ++ {0.0} {i.h} {25.CA} 53.16109 0.42720 0.58556 ++ {0.0} {i-1.ca} {26.N} 119.50967 0.33500 0.49230 ++ {0.0} {i.n} 0.0 0.0833 1 {} 0 27 {49.H} 8.59387 0.02431 0.04691 ++ {0.0} {i.h} {48.CA} 60.20704 0.46516 0.77757 ++ {0.0} {i-1.ca} {49.N} 119.57452 0.33698 0.61718 ++ {0.0} {i.n} 0.0 0.2621 1 {} 0 28 {59.H} 7.89064 0.02483 0.04886 ++ {0.0} {i.h} {58.CA} 56.08675 0.45196 0.79097 ++ {0.0} {i-1.ca} {59.N} 119.71031 0.33412 0.63677 ++ {0.0} {i.n} 0.0 0.4688 1 {} 0 29 {58.H} 7.49278 0.02602 0.05649 ++ {0.0} {i.h} {57.CA} 57.34944 0.46093 0.81935 ++ {0.0} {i-1.ca} {58.N} 119.68677 0.33611 0.64512 ++ {0.0} {i.n} 0.0 0.5479 1 {} 0 30 {33.H} 8.47775 0.02515 0.05524 ++ {0.0} {i.h} {32.CA} 57.33870 0.45038 0.80031 ++ {0.0} {i-1.ca} {33.N} 119.33833 0.30650 0.58792 ++ {0.0} {i.n} 0.0 0.5396 1 {} 0 31 {} 8.18947 0.02438 0.04387 ++ {0.0} {} {} 43.55563 0.35837 0.58444 ++ {0.0} {} {} 119.33425 0.28315 0.52326 ++ {0.0} {} 0.0 0.2906 1 {} 0 32 {32.H} 7.70636 0.02198 0.04539 ++ {0.0} {i.h} {31.CA} 59.25533 0.44451 0.74494 ++ {0.0} {i-1.ca} {32.N} 119.27194 0.33690 0.62124 ++ {0.0} {i.n} 0.0 0.2831 1 {} 0 33 {51.H} 9.00920 0.02280 0.04279 ++ {0.0} {i.h} {50.CA} 63.32433 0.42010 0.66218 ++ {0.0} {i-1.ca} {51.N} 119.08002 0.31721 0.56331 ++ {0.0} {i.n} 0.0 0.1970 1 {} 0 34 {52.H} 8.22466 0.02366 0.04873 ++ {0.0} {i.h} {51.CA} 63.55696 0.46048 0.81953 ++ {0.0} {i-1.ca} {52.N} 119.00043 0.29829 0.57513 ++ {0.0} {i.n} 0.0 0.6144 1 {} 0 35 {19.H} 8.18787 0.02478 0.05174 ++ {0.0} {i.h} {18.CA} 58.30608 0.43030 0.77241 ++ {0.0} {i-1.ca} {19.N} 119.00871 0.30450 0.57811 ++ {0.0} {i.n} 0.0 0.4355 1 {} 0 36 {17.H} 7.73710 0.02367 0.04456 ++ {0.0} {i.h} {16.CA} 58.25247 0.42318 0.72433 ++ {0.0} {i-1.ca} {17.N} 118.98261 0.32004 0.60603 ++ {0.0} {i.n} 0.0 0.4152 1 {} 0 37 {45.H} 8.34618 0.02511 0.05249 ++ {0.0} {i.h} {44.CA} 61.28919 0.47294 0.82126 ++ {0.0} {i-1.ca} {45.N} 118.67420 0.31682 0.60702 ++ {0.0} {i.n} 0.0 0.5257 1 {} 0 38 {34.H} 7.97636 0.02455 0.05341 ++ {0.0} {i.h} {33.CA} 60.75989 0.39647 0.67399 ++ {0.0} {i-1.ca} {34.N} 118.27502 0.31140 0.58196 ++ {0.0} {i.n} 0.0 0.3368 1 {} 0 39 {57.H} 7.36349 0.02332 0.05506 ++ {0.0} {i.h} {56.CA} 57.66052 0.43905 0.81307 ++ {0.0} {i-1.ca} {57.N} 118.33364 0.29583 0.57097 ++ {0.0} {i.n} 0.0 0.6316 1 {} 0 40 {13.H} 8.42372 0.02528 0.05387 ++ {0.0} {i.h} {12.CA} 59.80596 0.43810 0.76085 ++ {0.0} {i-1.ca} {13.N} 118.01660 0.32794 0.62153 ++ {0.0} {i.n} 0.0 0.4217 1 {} 0 41 {53.H} 8.32052 0.02554 0.05473 ++ {0.0} {i.h} {52.CA} 59.52694 0.40948 0.73204 ++ {0.0} {i-1.ca} {53.N} 118.00398 0.30170 0.57894 ++ {0.0} {i.n} 0.0 0.5447 1 {} 0 42 {56.H} 7.49122 0.02228 0.04683 ++ {0.0} {i.h} {55.CA} 60.12881 0.46288 0.80323 ++ {0.0} {i-1.ca} {56.N} 118.01495 0.33589 0.64069 ++ {0.0} {i.n} 0.0 0.4773 1 {} 0 43 {55.H} 7.96912 0.02308 0.05538 ++ {0.0} {i.h} {54.CA} 56.39875 0.44832 0.78627 ++ {0.0} {i-1.ca} {55.N} 117.66444 0.29600 0.56289 ++ {0.0} {i.n} 0.0 0.4491 1 {} 0 44 {} 8.32704 0.00773 0.00787 ++ {0.0} {} {} 60.27285 0.11431 0.11638 ++ {0.0} {} {} 117.33198 0.17886 0.18211 ++ {0.0} {} 0.0 0.0450 1 {} 0 45 {9.H} 8.18112 0.03581 0.07770 ++ {0.0} {i.h} {8.CA} 55.65139 0.40458 0.61008 ++ {0.0} {i-1.ca} {9.N} 117.33562 0.28689 0.49450 ++ {0.0} {i.n} 0.0 0.1598 1 {} 0 46 {41.H} 8.01508 0.02387 0.04710 ++ {0.0} {i.h} {40.CA} 54.25499 0.46058 0.78314 ++ {0.0} {i-1.ca} {41.N} 117.35526 0.33349 0.62648 ++ {0.0} {i.n} 0.0 0.3637 1 {} 0 47 {} 7.99697 0.02540 0.05984 ++ {0.0} {} {} 59.57766 0.41680 0.72336 ++ {0.0} {} {} 117.33234 0.28852 0.55523 ++ {0.0} {} 0.0 0.5842 -1 {} 0 48 {24.H} 7.62831 0.02840 0.05274 ++ {0.0} {i.h} {23.CA} 58.80766 0.43917 0.73884 ++ {0.0} {i-1.ca} {24.N} 117.36630 0.32742 0.61001 ++ {0.0} {i.n} 0.0 0.3227 1 {} 0 49 {25.H} 8.34157 0.02383 0.05298 ++ {0.0} {i.h} {24.CA} 59.70344 0.33157 0.50614 ++ {0.0} {i-1.ca} {25.N} 116.65659 0.27832 0.53937 ++ {0.0} {i.n} 0.0 0.7117 1 {} 0 50 {31.H} 8.33281 0.01945 0.04426 ++ {0.0} {i.h} {30.CA} 60.29903 0.38135 0.60991 ++ {0.0} {i-1.ca} {31.N} 115.98978 0.27539 0.53640 ++ {0.0} {i.n} 0.0 0.8459 1 {} 0 51 {14.H} 7.76634 0.02535 0.05888 ++ {0.0} {i.h} {13.CA} 61.34435 0.43154 0.78076 ++ {0.0} {i-1.ca} {14.N} 115.99586 0.29771 0.56878 ++ {0.0} {i.n} 0.0 0.4937 1 {} 0 52 {} 8.06838 0.01199 0.01812 ++ {0.0} {} {} 70.88107 0.37611 0.49211 ++ {0.0} {} {} 115.01352 0.30102 0.42883 ++ {0.0} {} 0.0 0.0768 1 {} 0 53 {27.H} 7.99130 0.03283 0.05980 ++ {0.0} {i.h} {} 54.71035 0.46590 0.77966 ++ {0.0} {i-1.ca} {27.N} 114.95907 0.32735 0.60292 ++ {0.0} {i.n} 0.0 0.2793 1 {} 0 54 {} 7.29462 0.02073 0.02557 ++ {0.0} {} {} 70.80497 0.36701 0.45526 ++ {0.0} {} {} 114.99109 0.28441 0.38392 ++ {0.0} {} 0.0 0.0679 1 {} 0 55 {11.H} 9.19450 0.02894 0.04947 ++ {0.0} {i.h} {10.CA} 56.76726 0.46721 0.76231 ++ {0.0} {i-1.ca} {11.N} 114.59087 0.33342 0.60668 ++ {0.0} {i.n} 0.0 0.2448 1 {} 0 56 {38.H} 8.02162 0.02371 0.05304 ++ {0.0} {i.h} {37.CA} 56.53229 0.45032 0.79295 ++ {0.0} {i-1.ca} {38.N} 114.31312 0.31039 0.59506 ++ {0.0} {i.n} 0.0 0.5329 1 {} 0 57 {23.H} 7.93126 0.02330 0.05086 ++ {0.0} {i.h} {22.CA} 60.71059 0.44812 0.77737 ++ {0.0} {i-1.ca} {23.N} 114.32227 0.29445 0.56400 ++ {0.0} {i.n} 0.0 0.5221 1 {} 0 58 {15.H} 8.52961 0.02431 0.05178 ++ {0.0} {i.h} {14.CA} 59.23537 0.42569 0.75161 ++ {0.0} {i-1.ca} {15.N} 113.62598 0.32912 0.61745 ++ {0.0} {i.n} 0.0 0.3563 1 {} 0 59 {40.H} 8.40193 0.02807 0.05593 ++ {0.0} {i.h} {39.CA} 55.11879 0.43851 0.75737 ++ {0.0} {i-1.ca} {40.N} 112.99018 0.30544 0.58018 ++ {0.0} {i.n} 0.0 0.4392 1 {} 0 60 {} 7.53142 0.01364 0.02142 ++ {0.0} {} {} 63.63171 0.38255 0.55018 ++ {0.0} {} {} 112.33217 0.32859 0.54773 ++ {0.0} {} 0.0 0.1326 1 {} 0 61 {53.HD22} 6.86057 0.01852 0.02742 ++ {0.0} {i.h} {} 63.69351 0.38132 0.52774 ++ {0.0} {i-1.ca} {53.ND2} 112.32745 0.30103 0.48129 ++ {0.0} {i.n} 0.0 0.1101 1 {} 0 62 {46.HE21} 7.42353 0.01960 0.01985 ++ {0.0} {i.h} {} 67.58801 0.54788 0.55723 ++ {0.0} {i-1.ca} {46.NE2} 111.89226 0.34247 0.35010 ++ {0.0} {i.n} 0.0 0.0452 1 {} 0 63 {29.H} 7.64696 0.02718 0.05361 ++ {0.0} {i.h} {28.CA} 53.33319 0.45840 0.74725 ++ {0.0} {i-1.ca} {29.N} 111.77840 0.34452 0.62091 ++ {0.0} {i.n} 0.0 0.2233 1 {} 0 64 {} 7.43619 0.02062 0.02618 ++ {0.0} {} {} 65.52798 0.34138 0.46819 ++ {0.0} {} {} 111.64320 0.29066 0.42064 ++ {0.0} {} 0.0 0.0799 1 {} 0 65 {} 6.89769 0.01210 0.01619 ++ {0.0} {} {} 65.50713 0.40434 0.44871 ++ {0.0} {} {} 111.62625 0.27017 0.31930 ++ {0.0} {} 0.0 0.0540 1 {} 0 66 {} 6.88442 0.01942 0.02197 ++ {0.0} {} {} 67.65656 0.38341 0.44112 ++ {0.0} {} {} 111.66097 0.32578 0.39114 ++ {0.0} {} 0.0 0.0553 1 {} 0 67 {} 7.54899 0.01875 0.02574 ++ {0.0} {} {} 63.55002 0.43143 0.59704 ++ {0.0} {} {} 110.65269 0.33071 0.51647 ++ {0.0} {} 0.0 0.1008 1 {} 0 68 {} 6.93095 0.02410 0.02973 ++ {0.0} {} {} 63.53623 0.45381 0.57269 ++ {0.0} {} {} 110.65084 0.37692 0.53301 ++ {0.0} {} 0.0 0.0754 1 {} 0 69 {43.H} 8.76727 0.03082 0.06595 ++ {0.0} {i.h} {42.CA} 52.67864 0.44017 0.74924 ++ {0.0} {i-1.ca} {43.N} 109.32578 0.32644 0.61174 ++ {0.0} {i.n} 0.0 0.3504 1 {} 0 70 {6.H} 8.47589 0.02732 0.04341 ++ {0.0} {i.h} {5.CA} 56.28893 0.36672 0.48660 ++ {0.0} {i-1.ca} {6.N} 110.58923 0.31120 0.46779 ++ {0.0} {i.n} 0.0 0.0844 0 {} 0 71 {4.H} 8.61775 0.00782 0.01913 ++ {0.0} {i.h} {} 56.37220 0.30886 0.34706 ++ {0.0} {i-1.ca} {4.N} 123.68583 0.28196 0.32661 ++ {0.0} {i.n} 0.0 0.0623 0 {} 0 72 {46.H} 7.99697 0.02540 0.04197 ++ {0.0} {i.h} {45.CA} 59.57766 0.41680 0.60569 ++ {0.0} {i-1.ca} {46.N} 117.33234 0.28852 0.47827 ++ {0.0} {i.n} 0.0 0.5842 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 HN . 'not observed' 6300 Hz . . . 4.776 . . 31057 10 2 . . C 13 CA . 'not observed' 4500 Hz . . . 56.000 . . 31057 10 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 10 stop_ save_ save_spectral_peak_list_11 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_11 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 11 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 14 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf HN H1 N15 AbdA_Nnoesy.nv 2580.46972656 7000.0 1300.01000977 599.664978027 599.664978027 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U H1.L H1.P H1.W H1.B H1.E H1.J H1.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {} 9.91271 0.02266 0.02455 ++ {0.0} {} {} -0.55986 0.07090 0.07723 ++ {0.0} {} {} 128.71103 0.28474 0.32283 ++ {0.0} {} 0.0 0.0453 0 {} 0 1 {} 9.92132 0.01737 0.02139 ++ {0.0} {} {} 1.34268 0.05766 0.07257 ++ {0.0} {} {} 128.70020 0.36456 0.48145 ++ {0.0} {} 0.0 0.0578 0 {} 0 2 {} 9.92299 0.02640 0.03024 ++ {0.0} {} {} 5.96239 0.05877 0.06588 ++ {0.0} {} {} 128.70753 0.31439 0.37050 ++ {0.0} {} 0.0 0.0478 0 {} 0 3 {} 9.91962 0.02666 0.04500 ++ {0.0} {} {} 6.10922 0.05782 0.08397 ++ {0.0} {} {} 128.71596 0.31289 0.51261 ++ {0.0} {} 0.0 0.1085 0 {} 0 4 {} 9.91767 0.02629 0.03374 ++ {0.0} {} {} 6.26302 0.07090 0.08598 ++ {0.0} {} {} 128.71973 0.31041 0.41924 ++ {0.0} {} 0.0 0.0604 0 {} 0 5 {} 9.91712 0.02485 0.03299 ++ {0.0} {} {} 7.20158 0.05897 0.07734 ++ {0.0} {} {} 128.70932 0.29956 0.41360 ++ {0.0} {} 0.0 0.0634 0 {} 0 6 {} 7.80292 0.01400 0.01080 ++ {0.0} {} {} 0.58505 0.10204 0.08779 ++ {0.0} {} {} 128.34886 0.29409 0.22475 ++ {0.0} {} 0.0 0.0254 0 {} 0 7 {} 7.80276 0.01625 0.01863 ++ {0.0} {} {} 0.78266 0.07588 0.08392 ++ {0.0} {} {} 128.35475 0.30481 0.34865 ++ {0.0} {} 0.0 0.0367 0 {} 0 8 {62.H} 7.79699 0.03186 0.05008 ++ {0.0} {} {62.HB3} 1.64002 0.07435 0.12750 ++ {0.0} {} {62.N} 128.35205 0.32171 0.57914 ++ {0.0} {} 0.0 0.1572 0 {} 0 9 {} 7.80525 0.03148 0.04277 ++ {0.0} {} {} 1.91527 0.07742 0.13792 ++ {0.0} {} {} 128.37187 0.30091 0.47619 ++ {0.0} {} 0.0 0.0752 0 {} 0 10 {} 7.80709 0.03519 0.04970 ++ {0.0} {} {} 3.10718 0.08116 0.10441 ++ {0.0} {} {} 128.36377 0.34169 0.47128 ++ {0.0} {} 0.0 0.0506 0 {} 0 11 {} 7.81886 0.01819 0.02083 ++ {0.0} {} {} 3.58830 0.06755 0.07548 ++ {0.0} {} {} 128.36758 0.28998 0.34080 ++ {0.0} {} 0.0 0.0381 0 {} 0 12 {62.H} 7.79738 0.02578 0.03639 ++ {0.0} {} {62.HA} 4.21067 0.05926 0.08192 ++ {0.0} {} {62.N} 128.36299 0.31214 0.48992 ++ {0.0} {} 0.0 0.0730 0 {} 0 13 {62.H} 7.79598 0.02412 0.04262 ++ {0.0} {} {61.HA} 4.34273 0.06852 0.11066 ++ {0.0} {} {62.N} 128.35150 0.31372 0.55699 ++ {0.0} {} 0.0 0.1398 0 {} 0 14 {} 7.80873 0.03252 0.05890 ++ {0.0} {} {} 4.79614 0.06125 0.09342 ++ {0.0} {} {} 128.36685 0.32989 0.59248 ++ {0.0} {} 0.0 0.1539 -1 {} 0 15 {} 8.36776 0.02069 0.03292 ++ {0.0} {} {} 0.77362 0.05831 0.09180 ++ {0.0} {} {} 124.34097 0.30845 0.49081 ++ {0.0} {} 0.0 0.0960 0 {} 0 16 {} 8.36714 0.02577 0.03328 ++ {0.0} {} {} 0.89596 0.06492 0.09594 ++ {0.0} {} {} 124.33492 0.32633 0.49756 ++ {0.0} {} 0.0 0.0826 0 {} 0 17 {} 8.36813 0.02547 0.06089 ++ {0.0} {} {} 1.49266 0.06986 0.13278 ++ {0.0} {} {} 124.34377 0.31436 0.59842 ++ {0.0} {} 0.0 0.4072 0 {} 0 18 {} 8.36731 0.02527 0.04364 ++ {0.0} {} {} 1.77817 0.09820 0.19107 ++ {0.0} {} {} 124.34927 0.30513 0.52281 ++ {0.0} {} 0.0 0.1369 0 {} 0 19 {} 8.36698 0.02788 0.04667 ++ {0.0} {} {} 3.78060 0.07286 0.12563 ++ {0.0} {} {} 124.35046 0.30412 0.52233 ++ {0.0} {} 0.0 0.1389 0 {} 0 20 {} 8.36897 0.02441 0.02804 ++ {0.0} {} {} 3.90963 0.08395 0.09727 ++ {0.0} {} {} 124.34350 0.34994 0.40626 ++ {0.0} {} 0.0 0.0468 0 {} 0 21 {} 8.36975 0.02032 0.02008 ++ {0.0} {} {} 3.56460 0.06421 0.06372 ++ {0.0} {} {} 124.34602 0.26544 0.26240 ++ {0.0} {} 0.0 0.0388 0 {} 0 22 {} 8.36684 0.01494 0.00995 ++ {0.0} {} {} 4.08046 0.07425 0.04326 ++ {0.0} {} {} 124.34505 0.30903 0.21210 ++ {0.0} {} 0.0 0.0299 0 {} 0 23 {} 8.36651 0.01321 0.01160 ++ {0.0} {} {} 2.35729 0.07675 0.06888 ++ {0.0} {} {} 124.37215 0.26914 0.23642 ++ {0.0} {} 0.0 0.0280 0 {} 0 24 {} 8.36606 0.01691 0.01591 ++ {0.0} {} {} 2.07930 0.11509 0.11046 ++ {0.0} {} {} 124.36030 0.27709 0.25739 ++ {0.0} {} 0.0 0.0293 0 {} 0 25 {} 8.37126 0.01028 0.00848 ++ {0.0} {} {} 3.35866 0.07884 0.06928 ++ {0.0} {} {} 124.35722 0.30173 0.24874 ++ {0.0} {} 0.0 0.0267 0 {} 0 26 {} 8.36837 0.02578 0.03465 ++ {0.0} {} {} 8.67135 0.07969 0.10272 ++ {0.0} {} {} 124.34802 0.30962 0.42546 ++ {0.0} {} 0.0 0.1914 0 {} 0 27 {} 8.36835 0.02312 0.02045 ++ {0.0} {} {} 8.02439 0.04737 0.04003 ++ {0.0} {} {} 124.34008 0.30228 0.25544 ++ {0.0} {} 0.0 0.1037 0 {} 0 28 {} 8.19890 0.02763 0.04559 ++ {0.0} {} {} -0.56244 0.06704 0.09917 ++ {0.0} {} {} 123.38852 0.33184 0.50892 ++ {0.0} {} 0.0 0.0539 0 {} 0 29 {} 8.19416 0.03025 0.05681 ++ {0.0} {} {} 0.50635 0.08615 0.14652 ++ {0.0} {} {} 123.39780 0.33586 0.60114 ++ {0.0} {} 0.0 0.1195 0 {} 0 30 {} 8.19546 0.03142 0.05684 ++ {0.0} {} {} 1.14618 0.07110 0.12379 ++ {0.0} {} {} 123.39175 0.33447 0.59726 ++ {0.0} {} 0.0 0.1172 0 {} 0 31 {} 8.19494 0.02247 0.04346 ++ {0.0} {} {} -1.02677 0.08180 0.12822 ++ {0.0} {} {} 123.37648 0.33357 0.52433 ++ {0.0} {} 0.0 0.0587 0 {} 0 32 {} 8.19307 0.02557 0.03995 ++ {0.0} {} {} 3.58709 0.07015 0.11236 ++ {0.0} {} {} 123.40545 0.33015 0.55684 ++ {0.0} {} 0.0 0.0641 0 {} 0 33 {} 8.16424 0.02821 0.05229 ++ {0.0} {} {} 0.71349 0.07898 0.13007 ++ {0.0} {} {} 123.01844 0.30309 0.54423 ++ {0.0} {} 0.0 0.1229 0 {} 0 34 {} 8.19553 0.03109 0.05184 ++ {0.0} {} {} 1.70832 0.09427 0.14224 ++ {0.0} {} {} 123.39462 0.34072 0.51927 ++ {0.0} {} 0.0 0.0528 0 {} 0 35 {} 8.19580 0.02103 0.02707 ++ {0.0} {} {} 1.89171 0.05267 0.07203 ++ {0.0} {} {} 123.36591 0.35858 0.48226 ++ {0.0} {} 0.0 0.0383 0 {} 0 36 {} 8.19580 0.02103 0.02707 ++ {0.0} {} {} 0.74418 0.05267 0.07203 ++ {0.0} {} {} 123.36591 0.35858 0.48226 ++ {0.0} {} 0.0 0.0383 0 {} 0 37 {} 7.80844 0.03254 0.03994 ++ {0.0} {} {} 7.05899 0.07526 0.10011 ++ {0.0} {} {} 128.38857 0.30219 0.42232 ++ {0.0} {} 0.0 0.0417 0 {} 0 38 {} 8.19359 0.02263 0.04385 ++ {0.0} {} {} 7.74025 0.07302 0.11453 ++ {0.0} {} {} 123.37031 0.34199 0.59131 ++ {0.0} {} 0.0 0.0927 0 {} 0 39 {} 8.16527 0.03035 0.05403 ++ {0.0} {} {} -0.28383 0.08814 0.16225 ++ {0.0} {} {} 123.02074 0.30291 0.55400 ++ {0.0} {} 0.0 0.1469 0 {} 0 40 {} 8.16378 0.02238 0.03594 ++ {0.0} {} {} 2.43022 0.08357 0.13086 ++ {0.0} {} {} 123.02811 0.28181 0.45997 ++ {0.0} {} 0.0 0.0683 0 {} 0 41 {} 8.16402 0.03280 0.04718 ++ {0.0} {} {} 2.63459 0.07924 0.11621 ++ {0.0} {} {} 123.01058 0.30682 0.50461 ++ {0.0} {} 0.0 0.0707 0 {} 0 42 {} 8.16510 0.02918 0.04785 ++ {0.0} {} {} 3.40849 0.07388 0.11791 ++ {0.0} {} {} 123.01582 0.30080 0.51272 ++ {0.0} {} 0.0 0.0850 0 {} 0 43 {} 8.16039 0.02615 0.04181 ++ {0.0} {} {} 4.31716 0.08422 0.11852 ++ {0.0} {} {} 123.01527 0.26316 0.38677 ++ {0.0} {} 0.0 0.0474 0 {} 0 44 {} 8.16629 0.03244 0.05692 ++ {0.0} {} {} 7.96849 0.05885 0.09559 ++ {0.0} {} {} 123.03146 0.29955 0.53530 ++ {0.0} {} 0.0 0.0943 0 {} 0 45 {} 8.15489 0.01317 0.01881 ++ {0.0} {} {} 1.03932 0.07240 0.10630 ++ {0.0} {} {} 122.33767 0.28964 0.47452 ++ {0.0} {} 0.0 0.0556 0 {} 0 46 {} 8.16372 0.03125 0.03333 ++ {0.0} {} {} 1.36186 0.05154 0.05691 ++ {0.0} {} {} 122.32803 0.21529 0.23654 ++ {0.0} {} 0.0 0.0223 0 {} 0 47 {} 8.16929 0.01317 0.01881 ++ {0.0} {} {} 1.77359 0.05155 0.07712 ++ {0.0} {} {} 122.37486 0.24941 0.30687 ++ {0.0} {} 0.0 0.0261 0 {} 0 48 {} 8.16386 0.02848 0.06562 ++ {0.0} {} {} 1.97565 0.07002 0.12074 ++ {0.0} {} {} 122.33414 0.27908 0.50090 ++ {0.0} {} 0.0 0.0979 0 {} 0 49 {} 8.16968 0.03620 0.06686 ++ {0.0} {} {} 3.94248 0.08190 0.18051 ++ {0.0} {} {} 122.33771 0.28735 0.52972 ++ {0.0} {} 0.0 0.1284 0 {} 0 50 {} 8.16658 0.03880 0.06133 ++ {0.0} {} {} 8.59695 0.06590 0.10021 ++ {0.0} {} {} 122.34402 0.31576 0.55960 ++ {0.0} {} 0.0 0.0882 0 {} 0 51 {} 8.16972 0.03736 0.05910 ++ {0.0} {} {} 9.00957 0.06014 0.09912 ++ {0.0} {} {} 122.32577 0.28734 0.50497 ++ {0.0} {} 0.0 0.0828 0 {} 0 52 {} 8.16386 0.02848 0.06562 ++ {0.0} {} {} 3.30796 0.07002 0.12074 ++ {0.0} {} {} 122.33414 0.27908 0.50090 ++ {0.0} {} 0.0 0.0979 0 {} 0 53 {} 8.16663 0.04182 0.06507 ++ {0.0} {} {} 3.51182 0.08679 0.16788 ++ {0.0} {} {} 122.34689 0.29523 0.53287 ++ {0.0} {} 0.0 0.1030 0 {} 0 54 {} 8.24923 0.03659 0.06607 ++ {0.0} {} {} 4.79133 0.04814 0.09297 ++ {0.0} {} {} 122.00932 0.27816 0.53269 ++ {0.0} {} 0.0 0.2366 -1 {} 0 55 {61.H} 8.25320 0.03424 0.06896 ++ {0.0} {} {61.HA} 4.33100 0.06490 0.13144 ++ {0.0} {} {61.N} 122.02295 0.28071 0.51503 ++ {0.0} {} 0.0 0.1216 0 {} 0 56 {61.H} 8.25504 0.03430 0.05530 ++ {0.0} {} {62.H} 7.79517 0.04611 0.08974 ++ {0.0} {} {61.N} 122.01317 0.24653 0.40648 ++ {0.0} {} 0.0 0.0572 0 {} 0 57 {61.H} 8.23892 0.00790 0.02845 ++ {0.0} {} {61.HB3} 1.99276 0.06031 0.08826 ++ {0.0} {} {61.N} 122.00736 0.29259 0.47885 ++ {0.0} {} 0.0 0.0553 0 {} 0 58 {61.H} 8.25502 0.03011 0.03047 ++ {0.0} {} {61.HG2} 2.34481 0.13187 0.13311 ++ {0.0} {} {61.N} 122.02033 0.26139 0.26806 ++ {0.0} {} 0.0 0.0206 0 {} 0 59 {61.H} 8.24971 0.02155 0.02618 ++ {0.0} {} {61.HB2} 2.12094 0.05744 0.07049 ++ {0.0} {} {61.N} 121.98380 0.28265 0.35374 ++ {0.0} {} 0.0 0.0268 0 {} 0 60 {} 8.17777 0.04000 0.10515 ++ {0.0} {} {} 1.61336 0.06676 0.12965 ++ {0.0} {} {} 121.67375 0.28711 0.55416 ++ {0.0} {} 0.0 0.2875 0 {} 0 61 {} 8.17538 0.02513 0.06182 ++ {0.0} {} {} 3.34110 0.07364 0.13814 ++ {0.0} {} {} 121.66834 0.28744 0.53679 ++ {0.0} {} 0.0 0.1516 0 {} 0 62 {} 8.18091 0.03160 0.05945 ++ {0.0} {} {} 4.19475 0.06867 0.12344 ++ {0.0} {} {} 121.68333 0.29304 0.52664 ++ {0.0} {} 0.0 0.0991 0 {} 0 63 {} 8.17428 0.02194 0.03135 ++ {0.0} {} {} 4.50015 0.06910 0.08588 ++ {0.0} {} {} 121.68064 0.27739 0.37021 ++ {0.0} {} 0.0 0.0302 0 {} 0 64 {} 8.17599 0.02022 0.04063 ++ {0.0} {} {} 8.02683 0.02885 0.05084 ++ {0.0} {} {} 121.66232 0.29600 0.52177 ++ {0.0} {} 0.0 0.0847 0 {} 0 65 {} 8.17730 0.03840 0.06238 ++ {0.0} {} {} 8.39861 0.06392 0.10775 ++ {0.0} {} {} 121.66753 0.28799 0.52416 ++ {0.0} {} 0.0 0.1117 0 {} 0 66 {} 8.18641 0.02194 0.03135 ++ {0.0} {} {} 3.88748 0.06910 0.08588 ++ {0.0} {} {} 121.68064 0.27739 0.37021 ++ {0.0} {} 0.0 0.0302 0 {} 0 67 {} 8.40586 0.02021 0.02887 ++ {0.0} {} {} 0.24303 0.06940 0.08314 ++ {0.0} {} {} 121.68478 0.26346 0.33948 ++ {0.0} {} 0.0 0.0282 0 {} 0 68 {} 8.41462 0.01475 0.01907 ++ {0.0} {} {} 0.60501 0.07423 0.08825 ++ {0.0} {} {} 121.66832 0.33216 0.40902 ++ {0.0} {} 0.0 0.0261 0 {} 0 69 {} 8.42051 0.03656 0.05895 ++ {0.0} {} {} 0.72396 0.08398 0.13383 ++ {0.0} {} {} 121.68312 0.30574 0.45793 ++ {0.0} {} 0.0 0.0400 0 {} 0 70 {} 8.41469 0.02163 0.03005 ++ {0.0} {} {} 1.26667 0.08376 0.10652 ++ {0.0} {} {} 121.69619 0.30500 0.44086 ++ {0.0} {} 0.0 0.0362 0 {} 0 71 {} 8.42626 0.04227 0.07712 ++ {0.0} {} {} 1.54121 0.09150 0.12341 ++ {0.0} {} {} 121.68169 0.35195 0.56192 ++ {0.0} {} 0.0 0.0498 0 {} 0 72 {} 8.41807 0.02330 0.02226 ++ {0.0} {} {} 2.72702 0.06977 0.06654 ++ {0.0} {} {} 121.66843 0.33383 0.31344 ++ {0.0} {} 0.0 0.0189 0 {} 0 73 {} 8.42637 0.02194 0.03135 ++ {0.0} {} {} 2.99454 0.06867 0.09248 ++ {0.0} {} {} 121.69680 0.32284 0.46377 ++ {0.0} {} 0.0 0.0357 0 {} 0 74 {} 8.41776 0.04656 0.10884 ++ {0.0} {} {} 4.77490 0.07775 0.13436 ++ {0.0} {} {} 121.70792 0.33390 0.62095 ++ {0.0} {} 0.0 0.1432 0 {} 0 75 {} 8.41486 0.01554 0.01630 ++ {0.0} {} {} 7.98218 0.06572 0.06960 ++ {0.0} {} {} 121.73382 0.20554 0.21833 ++ {0.0} {} 0.0 0.0214 0 {} 0 76 {} 8.56798 0.01877 0.04820 ++ {0.0} {} {} 1.00626 0.05040 0.06129 ++ {0.0} {} {} 121.65663 0.31686 0.38707 ++ {0.0} {} 0.0 0.0258 0 {} 0 77 {} 8.55473 0.02085 0.02489 ++ {0.0} {} {} 1.54058 0.10352 0.12313 ++ {0.0} {} {} 121.67644 0.27028 0.31470 ++ {0.0} {} 0.0 0.0240 0 {} 0 78 {} 8.56842 0.04763 0.05959 ++ {0.0} {} {} 1.67480 0.09026 0.10196 ++ {0.0} {} {} 121.64739 0.29369 0.34033 ++ {0.0} {} 0.0 0.0239 0 {} 0 79 {} 8.56846 0.04374 0.08555 ++ {0.0} {} {} 1.96662 0.07457 0.13043 ++ {0.0} {} {} 121.65404 0.34023 0.60225 ++ {0.0} {} 0.0 0.0874 0 {} 0 80 {} 8.56617 0.03884 0.09399 ++ {0.0} {} {} 2.17010 0.06431 0.13307 ++ {0.0} {} {} 121.64984 0.32193 0.59942 ++ {0.0} {} 0.0 0.1456 0 {} 0 81 {} 8.55498 0.01317 0.01881 ++ {0.0} {} {} 3.33042 0.04721 0.05575 ++ {0.0} {} {} 121.67586 0.29533 0.33526 ++ {0.0} {} 0.0 0.0232 0 {} 0 82 {} 8.57381 0.01406 0.01282 ++ {0.0} {} {} 3.52177 0.07588 0.06842 ++ {0.0} {} {} 121.61226 0.25089 0.22157 ++ {0.0} {} 0.0 0.0180 0 {} 0 83 {} 8.56287 0.01134 0.03937 ++ {0.0} {} {} 4.04637 0.07188 0.08499 ++ {0.0} {} {} 121.64756 0.32156 0.42040 ++ {0.0} {} 0.0 0.0290 0 {} 0 84 {} 8.56218 0.03980 0.06047 ++ {0.0} {} {} 4.39806 0.04673 0.08137 ++ {0.0} {} {} 121.65567 0.31180 0.51101 ++ {0.0} {} 0.0 0.0557 0 {} 0 85 {} 8.55766 0.03690 0.06073 ++ {0.0} {} {} 8.03188 0.06133 0.09446 ++ {0.0} {} {} 121.64716 0.32921 0.56990 ++ {0.0} {} 0.0 0.0747 0 {} 0 86 {} 9.05214 0.03745 0.05672 ++ {0.0} {} {} 2.37302 0.10079 0.17225 ++ {0.0} {} {} 121.33626 0.31519 0.53827 ++ {0.0} {} 0.0 0.0860 0 {} 0 87 {} 9.04882 0.02171 0.06435 ++ {0.0} {} {} 3.18326 0.12141 0.18457 ++ {0.0} {} {} 121.33686 0.29764 0.52007 ++ {0.0} {} 0.0 0.0994 0 {} 0 88 {} 9.05626 0.02435 0.05356 ++ {0.0} {} {} 4.26740 0.07430 0.12259 ++ {0.0} {} {} 121.33913 0.28528 0.43657 ++ {0.0} {} 0.0 0.0535 0 {} 0 89 {} 9.05652 0.03323 0.05378 ++ {0.0} {} {} 4.65336 0.05853 0.08701 ++ {0.0} {} {} 121.34142 0.31169 0.47311 ++ {0.0} {} 0.0 0.0521 0 {} 0 90 {} 9.05513 0.02574 0.08585 ++ {0.0} {} {} 7.91042 0.05878 0.10909 ++ {0.0} {} {} 121.34211 0.29579 0.53976 ++ {0.0} {} 0.0 0.1434 0 {} 0 91 {} 9.04567 0.02049 0.01565 ++ {0.0} {} {} 7.26661 0.05340 0.03467 ++ {0.0} {} {} 121.34527 0.29663 0.18993 ++ {0.0} {} 0.0 0.0185 0 {} 0 92 {} 8.23165 0.01985 0.03614 ++ {0.0} {} {} 0.90961 0.06279 0.09969 ++ {0.0} {} {} 121.01103 0.26990 0.44060 ++ {0.0} {} 0.0 0.0683 0 {} 0 93 {} 8.23570 0.03440 0.04575 ++ {0.0} {} {} 1.33508 0.07203 0.08716 ++ {0.0} {} {} 121.02282 0.32437 0.43378 ++ {0.0} {} 0.0 0.0379 0 {} 0 94 {} 8.23059 0.02965 0.07219 ++ {0.0} {} {} 1.50798 0.06390 0.09909 ++ {0.0} {} {} 121.01245 0.29543 0.49568 ++ {0.0} {} 0.0 0.0780 0 {} 0 95 {} 8.23285 0.02505 0.08408 ++ {0.0} {} {} 1.79157 0.07798 0.17555 ++ {0.0} {} {} 121.00542 0.29504 0.53130 ++ {0.0} {} 0.0 0.1261 0 {} 0 96 {} 8.23322 0.02465 0.05643 ++ {0.0} {} {} 1.90721 0.07673 0.14411 ++ {0.0} {} {} 121.01275 0.30744 0.56562 ++ {0.0} {} 0.0 0.1568 0 {} 0 97 {} 8.22732 0.01976 0.02041 ++ {0.0} {} {} 3.43260 0.06360 0.06479 ++ {0.0} {} {} 121.00391 0.32275 0.32957 ++ {0.0} {} 0.0 0.0257 0 {} 0 98 {} 8.23253 0.02888 0.07319 ++ {0.0} {} {} 3.98672 0.06496 0.11595 ++ {0.0} {} {} 121.02388 0.30725 0.52444 ++ {0.0} {} 0.0 0.0857 0 {} 0 99 {} 8.23288 0.03252 0.06429 ++ {0.0} {} {} 4.32394 0.08916 0.13966 ++ {0.0} {} {} 120.99834 0.29061 0.50237 ++ {0.0} {} 0.0 0.0926 0 {} 0 100 {} 8.23217 0.02644 0.08984 ++ {0.0} {} {} 7.73502 0.06373 0.11108 ++ {0.0} {} {} 121.01828 0.31313 0.55407 ++ {0.0} {} 0.0 0.1090 0 {} 0 101 {} 8.23167 0.02810 0.05552 ++ {0.0} {} {} 8.53440 0.06400 0.09569 ++ {0.0} {} {} 121.00062 0.29699 0.49111 ++ {0.0} {} 0.0 0.0725 0 {} 0 102 {} 8.09482 0.02127 0.02080 ++ {0.0} {} {} 1.47150 0.07481 0.07340 ++ {0.0} {} {} 120.99271 0.31524 0.30559 ++ {0.0} {} 0.0 0.0244 0 {} 0 103 {} 8.09306 0.02433 0.05300 ++ {0.0} {} {} 1.83446 0.09149 0.14145 ++ {0.0} {} {} 121.02132 0.29067 0.48766 ++ {0.0} {} 0.0 0.0779 0 {} 0 104 {60.H} 8.09824 0.03428 0.09245 ++ {0.0} {} {59.HA} 4.25341 0.07953 0.12139 ++ {0.0} {} {60.N} 121.01405 0.28618 0.47007 ++ {0.0} {} 0.0 0.0703 0 {} 0 105 {60.H} 8.09522 0.03054 0.10477 ++ {0.0} {} {60.HA} 4.31879 0.04904 0.09478 ++ {0.0} {} {60.N} 121.00693 0.29202 0.55646 ++ {0.0} {} 0.0 0.1660 0 {} 0 106 {} 9.15226 0.02212 0.08170 ++ {0.0} {} {} 2.08122 0.08138 0.12154 ++ {0.0} {} {} 120.61395 0.33531 0.53810 ++ {0.0} {} 0.0 0.0636 0 {} 0 107 {} 9.14917 0.01742 0.01946 ++ {0.0} {} {} 3.71932 0.05803 0.06646 ++ {0.0} {} {} 120.63517 0.30584 0.35761 ++ {0.0} {} 0.0 0.0302 0 {} 0 108 {} 9.15012 0.02074 0.04389 ++ {0.0} {} {} 4.65535 0.06045 0.08070 ++ {0.0} {} {} 120.61609 0.34112 0.54107 ++ {0.0} {} 0.0 0.0607 0 {} 0 109 {} 9.15136 0.03199 0.05643 ++ {0.0} {} {} 4.78872 0.05555 0.09912 ++ {0.0} {} {} 120.56310 0.35697 0.63859 ++ {0.0} {} 0.0 0.1190 0 {} 0 110 {} 9.14484 0.00620 0.01151 ++ {0.0} {} {} 8.34896 0.06253 0.05258 ++ {0.0} {} {} 120.55672 0.41094 0.34349 ++ {0.0} {} 0.0 0.0216 0 {} 0 111 {} 8.67594 0.02113 0.03019 ++ {0.0} {} {} 0.76664 0.07115 0.08937 ++ {0.0} {} {} 120.67339 0.31080 0.44166 ++ {0.0} {} 0.0 0.0434 0 {} 0 112 {} 8.66922 0.02158 0.04715 ++ {0.0} {} {} 0.89857 0.06645 0.09509 ++ {0.0} {} {} 120.66961 0.30226 0.48755 ++ {0.0} {} 0.0 0.0649 0 {} 0 113 {} 8.67291 0.02879 0.06865 ++ {0.0} {} {} 1.16073 0.05727 0.08198 ++ {0.0} {} {} 120.68729 0.34198 0.51878 ++ {0.0} {} 0.0 0.0520 0 {} 0 114 {} 8.66989 0.02860 0.10000 ++ {0.0} {} {} 1.76652 0.10105 0.15526 ++ {0.0} {} {} 120.67657 0.30507 0.56122 ++ {0.0} {} 0.0 0.1567 0 {} 0 115 {} 8.65952 0.01009 0.00976 ++ {0.0} {} {} 1.48910 0.06059 0.03126 ++ {0.0} {} {} 120.64937 0.23156 0.12555 ++ {0.0} {} 0.0 0.0172 0 {} 0 116 {} 8.66774 0.03134 0.04679 ++ {0.0} {} {} 2.07397 0.05703 0.07697 ++ {0.0} {} {} 120.68352 0.29249 0.43852 ++ {0.0} {} 0.0 0.0502 0 {} 0 117 {} 8.67396 0.02677 0.06721 ++ {0.0} {} {} 2.35277 0.06928 0.10952 ++ {0.0} {} {} 120.67735 0.32856 0.53588 ++ {0.0} {} 0.0 0.0681 0 {} 0 118 {} 8.67328 0.01058 0.01478 ++ {0.0} {} {} 3.75278 0.08429 0.10479 ++ {0.0} {} {} 120.66763 0.32949 0.43476 ++ {0.0} {} 0.0 0.0369 0 {} 0 119 {} 8.67086 0.01910 0.05115 ++ {0.0} {} {} 3.90380 0.05964 0.09707 ++ {0.0} {} {} 120.68417 0.30910 0.50774 ++ {0.0} {} 0.0 0.0703 0 {} 0 120 {} 8.67081 0.02805 0.03375 ++ {0.0} {} {} 4.09218 0.08518 0.10799 ++ {0.0} {} {} 120.66576 0.31882 0.42911 ++ {0.0} {} 0.0 0.0384 0 {} 0 121 {} 8.67256 0.02872 0.05904 ++ {0.0} {} {} 7.78556 0.06658 0.10034 ++ {0.0} {} {} 120.69012 0.31169 0.54295 ++ {0.0} {} 0.0 0.0973 0 {} 0 122 {} 8.67358 0.01708 0.01625 ++ {0.0} {} {} 7.98454 0.06786 0.06504 ++ {0.0} {} {} 120.67503 0.28278 0.26463 ++ {0.0} {} 0.0 0.0236 0 {} 0 123 {} 8.67068 0.03211 0.08150 ++ {0.0} {} {} 8.36409 0.06996 0.11469 ++ {0.0} {} {} 120.68125 0.32244 0.55641 ++ {0.0} {} 0.0 0.0916 0 {} 0 124 {} 8.03145 0.01953 0.02161 ++ {0.0} {} {} 0.73645 0.07344 0.08315 ++ {0.0} {} {} 120.64527 0.25964 0.30953 ++ {0.0} {} 0.0 0.0311 0 {} 0 125 {} 8.03144 0.02089 0.02275 ++ {0.0} {} {} 1.01303 0.07525 0.08167 ++ {0.0} {} {} 120.64432 0.47965 0.55433 ++ {0.0} {} 0.0 0.0298 0 {} 0 126 {} 8.03218 0.02820 0.09220 ++ {0.0} {} {} 1.55980 0.09814 0.24647 ++ {0.0} {} {} 120.64597 0.34188 0.60616 ++ {0.0} {} 0.0 0.1107 0 {} 0 127 {} 8.03411 0.03021 0.09250 ++ {0.0} {} {} 2.17197 0.07786 0.13115 ++ {0.0} {} {} 120.64149 0.34817 0.61782 ++ {0.0} {} 0.0 0.1114 0 {} 0 128 {} 8.03123 0.02198 0.03391 ++ {0.0} {} {} 2.64345 0.11032 0.13164 ++ {0.0} {} {} 120.67123 0.33643 0.47431 ++ {0.0} {} 0.0 0.0426 0 {} 0 129 {} 8.03529 0.00865 0.00791 ++ {0.0} {} {} 3.72326 0.07065 0.06515 ++ {0.0} {} {} 120.65552 0.37666 0.34425 ++ {0.0} {} 0.0 0.0231 0 {} 0 130 {} 8.03243 0.02195 0.03344 ++ {0.0} {} {} 3.93992 0.06354 0.08877 ++ {0.0} {} {} 120.64944 0.33872 0.49301 ++ {0.0} {} 0.0 0.0461 0 {} 0 131 {} 8.03547 0.01724 0.02053 ++ {0.0} {} {} 4.09071 0.06737 0.07551 ++ {0.0} {} {} 120.63599 0.27233 0.32444 ++ {0.0} {} 0.0 0.0311 0 {} 0 132 {} 8.03141 0.03165 0.06896 ++ {0.0} {} {} 8.56445 0.07121 0.11499 ++ {0.0} {} {} 120.65987 0.32763 0.56606 ++ {0.0} {} 0.0 0.0923 0 {} 0 133 {} 8.18322 0.01537 0.01392 ++ {0.0} {} {} 1.05124 0.04881 0.04464 ++ {0.0} {} {} 120.69878 0.28989 0.26511 ++ {0.0} {} 0.0 0.0231 0 {} 0 134 {} 8.16949 0.01973 0.05476 ++ {0.0} {} {} 2.74883 0.06918 0.09095 ++ {0.0} {} {} 120.69204 0.31905 0.46577 ++ {0.0} {} 0.0 0.0465 0 {} 0 135 {} 8.16834 0.01011 0.02469 ++ {0.0} {} {} 3.12508 0.07363 0.08092 ++ {0.0} {} {} 120.69618 0.31847 0.36169 ++ {0.0} {} 0.0 0.0291 0 {} 0 136 {} 8.17977 0.02031 0.03135 ++ {0.0} {} {} 4.05954 0.03766 0.05776 ++ {0.0} {} {} 120.68993 0.31682 0.45146 ++ {0.0} {} 0.0 0.0437 0 {} 0 137 {} 8.17577 0.04198 0.08488 ++ {0.0} {} {} 4.79082 0.05283 0.08681 ++ {0.0} {} {} 120.70138 0.35631 0.62323 ++ {0.0} {} 0.0 0.1001 0 {} 0 138 {} 8.17333 0.02199 0.02437 ++ {0.0} {} {} 4.97645 0.06703 0.07253 ++ {0.0} {} {} 120.72091 0.36927 0.41352 ++ {0.0} {} 0.0 0.0285 0 {} 0 139 {} 8.02431 0.00933 0.01580 ++ {0.0} {} {} 1.96630 0.03777 0.02114 ++ {0.0} {} {} 120.67373 0.25501 0.14274 ++ {0.0} {} 0.0 0.0174 0 {} 0 140 {} 9.14436 0.02700 0.03266 ++ {0.0} {} {} 2.36480 0.06774 0.07914 ++ {0.0} {} {} 120.59761 0.30338 0.36991 ++ {0.0} {} 0.0 0.0206 0 {} 0 141 {} 8.67633 0.00640 0.02085 ++ {0.0} {} {} 2.59190 0.07962 0.10174 ++ {0.0} {} {} 120.69709 0.24419 0.31874 ++ {0.0} {} 0.0 0.0231 0 {} 0 142 {} 7.78750 0.02925 0.08985 ++ {0.0} {} {} 0.86975 0.05786 0.11050 ++ {0.0} {} {} 120.34209 0.29598 0.50964 ++ {0.0} {} 0.0 0.0903 0 {} 0 143 {} 7.77187 0.01644 0.03166 ++ {0.0} {} {} 1.63203 0.06300 0.09083 ++ {0.0} {} {} 120.34784 0.28144 0.45310 ++ {0.0} {} 0.0 0.0644 0 {} 0 144 {} 7.78712 0.02770 0.04595 ++ {0.0} {} {} 1.74416 0.03572 0.10476 ++ {0.0} {} {} 120.34465 0.29415 0.44492 ++ {0.0} {} 0.0 0.0515 0 {} 0 145 {} 7.77703 0.03134 0.11398 ++ {0.0} {} {} 1.94620 0.08783 0.19003 ++ {0.0} {} {} 120.34172 0.28880 0.55527 ++ {0.0} {} 0.0 0.3249 0 {} 0 146 {} 7.78382 0.03923 0.10309 ++ {0.0} {} {} 2.07120 0.08778 0.12540 ++ {0.0} {} {} 120.34062 0.30715 0.53191 ++ {0.0} {} 0.0 0.0936 0 {} 0 147 {} 7.78603 0.03177 0.10134 ++ {0.0} {} {} 2.35483 0.09103 0.15250 ++ {0.0} {} {} 120.34059 0.28581 0.52187 ++ {0.0} {} 0.0 0.1443 0 {} 0 148 {} 7.79073 0.02383 0.05643 ++ {0.0} {} {} 2.58643 0.07570 0.12805 ++ {0.0} {} {} 120.35048 0.31334 0.56850 ++ {0.0} {} 0.0 0.1353 0 {} 0 149 {} 7.78704 0.02539 0.04668 ++ {0.0} {} {} 3.55901 0.05894 0.08400 ++ {0.0} {} {} 120.33364 0.28147 0.42762 ++ {0.0} {} 0.0 0.0523 0 {} 0 150 {} 7.77546 0.02047 0.06797 ++ {0.0} {} {} 3.88509 0.06891 0.10659 ++ {0.0} {} {} 120.32777 0.27775 0.44722 ++ {0.0} {} 0.0 0.0644 0 {} 0 151 {} 7.77656 0.02680 0.06896 ++ {0.0} {} {} 8.18913 0.05615 0.09348 ++ {0.0} {} {} 120.32494 0.28569 0.50327 ++ {0.0} {} 0.0 0.1054 0 {} 0 152 {} 7.79023 0.02024 0.04389 ++ {0.0} {} {} 8.66898 0.05993 0.11122 ++ {0.0} {} {} 120.35134 0.29472 0.53034 ++ {0.0} {} 0.0 0.1253 0 {} 0 153 {} 7.77220 0.00837 0.02160 ++ {0.0} {} {} 1.44279 0.06095 0.07149 ++ {0.0} {} {} 120.33407 0.26613 0.32467 ++ {0.0} {} 0.0 0.0258 0 {} 0 154 {} 7.77840 0.03371 0.11094 ++ {0.0} {} {} 4.05466 0.08463 0.19196 ++ {0.0} {} {} 120.34091 0.29801 0.55659 ++ {0.0} {} 0.0 0.1519 0 {} 0 155 {} 7.78738 0.02750 0.06896 ++ {0.0} {} {} 7.97938 0.05972 0.12187 ++ {0.0} {} {} 120.34196 0.29429 0.52389 ++ {0.0} {} 0.0 0.0914 0 {} 0 156 {} 7.78867 0.02020 0.01949 ++ {0.0} {} {} 3.21086 0.06325 0.05901 ++ {0.0} {} {} 120.31959 0.23445 0.21660 ++ {0.0} {} 0.0 0.0187 0 {} 0 157 {} 7.79175 0.01989 0.01774 ++ {0.0} {} {} 3.09441 0.05257 0.04496 ++ {0.0} {} {} 120.33126 0.33981 0.28556 ++ {0.0} {} 0.0 0.0173 0 {} 0 158 {} 7.77965 0.01133 0.01388 ++ {0.0} {} {} 1.11527 0.04347 0.05190 ++ {0.0} {} {} 120.34245 0.27983 0.33310 ++ {0.0} {} 0.0 0.0248 0 {} 0 159 {} 8.28545 0.03679 0.05498 ++ {0.0} {} {} 0.73788 0.08545 0.11948 ++ {0.0} {} {} 120.00309 0.29209 0.42367 ++ {0.0} {} 0.0 0.0366 0 {} 0 160 {} 8.28170 0.01871 0.02250 ++ {0.0} {} {} 0.93023 0.06433 0.07866 ++ {0.0} {} {} 119.99010 0.26526 0.34630 ++ {0.0} {} 0.0 0.0289 0 {} 0 161 {} 8.28086 0.03523 0.08539 ++ {0.0} {} {} 1.36182 0.07034 0.11572 ++ {0.0} {} {} 120.01700 0.27930 0.50052 ++ {0.0} {} 0.0 0.0966 0 {} 0 162 {} 8.28448 0.03840 0.07265 ++ {0.0} {} {} 1.65786 0.16301 0.22763 ++ {0.0} {} {} 120.01460 0.32592 0.52235 ++ {0.0} {} 0.0 0.0506 0 {} 0 163 {} 8.27483 0.03658 0.03859 ++ {0.0} {} {} 3.21910 0.07060 0.07823 ++ {0.0} {} {} 120.00689 0.35305 0.39650 ++ {0.0} {} 0.0 0.0229 0 {} 0 164 {} 8.28822 0.03399 0.07811 ++ {0.0} {} {} 3.78715 0.06552 0.11047 ++ {0.0} {} {} 120.01644 0.28375 0.48088 ++ {0.0} {} 0.0 0.0658 0 {} 0 165 {} 8.28224 0.03789 0.11190 ++ {0.0} {} {} 4.13628 0.07209 0.12786 ++ {0.0} {} {} 120.00854 0.29495 0.55315 ++ {0.0} {} 0.0 0.1613 0 {} 0 166 {} 8.28469 0.04592 0.09134 ++ {0.0} {} {} 4.96754 0.06407 0.10549 ++ {0.0} {} {} 120.00145 0.29637 0.49940 ++ {0.0} {} 0.0 0.0638 0 {} 0 167 {} 8.28515 0.04038 0.10093 ++ {0.0} {} {} 8.01336 0.06588 0.10223 ++ {0.0} {} {} 120.00465 0.30834 0.55928 ++ {0.0} {} 0.0 0.1080 0 {} 0 168 {} 7.90312 0.04066 0.08150 ++ {0.0} {} {} 1.95255 0.08041 0.14810 ++ {0.0} {} {} 119.99065 0.31743 0.57662 ++ {0.0} {} 0.0 0.1095 0 {} 0 169 {} 7.90105 0.04571 0.10121 ++ {0.0} {} {} 2.37181 0.10224 0.21412 ++ {0.0} {} {} 119.99989 0.28901 0.53861 ++ {0.0} {} 0.0 0.1474 0 {} 0 170 {} 7.90979 0.01275 0.01934 ++ {0.0} {} {} 3.58553 0.05067 0.06880 ++ {0.0} {} {} 119.98857 0.32194 0.43666 ++ {0.0} {} 0.0 0.0312 0 {} 0 171 {} 7.89697 0.01598 0.01963 ++ {0.0} {} {} 4.03801 0.04803 0.06593 ++ {0.0} {} {} 119.97842 0.27348 0.35776 ++ {0.0} {} 0.0 0.0290 0 {} 0 172 {} 7.90575 0.04896 0.09795 ++ {0.0} {} {} 4.28348 0.07467 0.12260 ++ {0.0} {} {} 119.89711 0.35065 0.62201 ++ {0.0} {} 0.0 0.0889 0 {} 0 173 {} 7.89172 0.05308 0.08731 ++ {0.0} {} {} 4.78982 0.04914 0.08995 ++ {0.0} {} {} 119.70307 0.29550 0.52447 ++ {0.0} {} 0.0 0.0893 0 {} 0 174 {} 7.91204 0.03125 0.10281 ++ {0.0} {} {} 9.04743 0.05960 0.09842 ++ {0.0} {} {} 119.99882 0.30955 0.53109 ++ {0.0} {} 0.0 0.0707 0 {} 0 175 {} 7.49749 0.04728 0.12705 ++ {0.0} {} {} 1.71543 0.08425 0.21950 ++ {0.0} {} {} 119.68431 0.31009 0.58727 ++ {0.0} {} 0.0 0.1894 0 {} 0 176 {} 7.90096 0.02027 0.03380 ++ {0.0} {} {} 1.73371 0.06464 0.11540 ++ {0.0} {} {} 119.68002 0.32867 0.53975 ++ {0.0} {} 0.0 0.0449 0 {} 0 177 {} 7.48281 0.02676 0.03295 ++ {0.0} {} {} 0.91918 0.07594 0.09430 ++ {0.0} {} {} 119.68693 0.27713 0.34950 ++ {0.0} {} 0.0 0.0272 0 {} 0 178 {} 7.50408 0.01324 0.03700 ++ {0.0} {} {} 4.11118 0.06183 0.09591 ++ {0.0} {} {} 119.68639 0.32455 0.50912 ++ {0.0} {} 0.0 0.0466 0 {} 0 179 {} 7.50050 0.03778 0.09054 ++ {0.0} {} {} 4.27633 0.08562 0.13117 ++ {0.0} {} {} 119.69857 0.32032 0.55497 ++ {0.0} {} 0.0 0.0751 0 {} 0 180 {} 7.48807 0.02194 0.03135 ++ {0.0} {} {} 4.78564 0.05570 0.07345 ++ {0.0} {} {} 119.67054 0.29637 0.41292 ++ {0.0} {} 0.0 0.0331 0 {} 0 181 {} 7.48021 0.02317 0.04312 ++ {0.0} {} {} 7.87922 0.06162 0.07003 ++ {0.0} {} {} 119.68908 0.31648 0.40477 ++ {0.0} {} 0.0 0.0279 0 {} 0 182 {} 8.58621 0.00910 0.01912 ++ {0.0} {} {} 0.90431 0.04793 0.04569 ++ {0.0} {} {} 119.58639 0.24872 0.23709 ++ {0.0} {} 0.0 0.0192 0 {} 0 183 {} 8.57773 0.01249 0.03384 ++ {0.0} {} {} 1.03475 0.07334 0.08869 ++ {0.0} {} {} 119.65222 0.33824 0.44621 ++ {0.0} {} 0.0 0.0295 0 {} 0 184 {} 8.58783 0.02194 0.03135 ++ {0.0} {} {} 1.34207 0.04805 0.06163 ++ {0.0} {} {} 119.62672 0.28483 0.36995 ++ {0.0} {} 0.0 0.0287 0 {} 0 185 {} 8.58409 0.03072 0.04389 ++ {0.0} {} {} 1.77880 0.07047 0.13119 ++ {0.0} {} {} 119.58555 0.31111 0.50669 ++ {0.0} {} 0.0 0.0541 0 {} 0 186 {} 8.58318 0.03072 0.04389 ++ {0.0} {} {} 1.97338 0.07651 0.13319 ++ {0.0} {} {} 119.59399 0.32148 0.56410 ++ {0.0} {} 0.0 0.0819 0 {} 0 187 {} 8.58506 0.01162 0.03518 ++ {0.0} {} {} 2.17358 0.06945 0.09459 ++ {0.0} {} {} 119.53352 0.29913 0.42622 ++ {0.0} {} 0.0 0.0349 0 {} 0 188 {} 8.61055 0.02950 0.04214 ++ {0.0} {} {} 3.87048 0.05577 0.07525 ++ {0.0} {} {} 119.60182 0.27495 0.38377 ++ {0.0} {} 0.0 0.0333 0 {} 0 189 {} 8.61697 0.01792 0.02137 ++ {0.0} {} {} 4.06961 0.09189 0.10895 ++ {0.0} {} {} 119.62632 0.37061 0.47249 ++ {0.0} {} 0.0 0.0277 0 {} 0 190 {} 8.62425 0.02194 0.03135 ++ {0.0} {} {} 4.78703 0.05316 0.09103 ++ {0.0} {} {} 119.63548 0.28533 0.50082 ++ {0.0} {} 0.0 0.0821 0 {} 0 191 {} 8.62686 0.00804 0.02007 ++ {0.0} {} {} 4.61576 0.06087 0.06441 ++ {0.0} {} {} 119.61183 0.35809 0.38764 ++ {0.0} {} 0.0 0.0219 0 {} 0 192 {} 8.58164 0.02143 0.02831 ++ {0.0} {} {} 8.16772 0.06163 0.07913 ++ {0.0} {} {} 119.62873 0.32455 0.45585 ++ {0.0} {} 0.0 0.0338 0 {} 0 193 {} 8.62411 0.03487 0.02742 ++ {0.0} {} {} 8.00898 0.08276 0.06737 ++ {0.0} {} {} 119.62134 0.25365 0.19104 ++ {0.0} {} 0.0 0.0161 0 {} 0 194 {} 7.49273 0.03461 0.06733 ++ {0.0} {} {} 7.35633 0.04922 0.07274 ++ {0.0} {} {} 119.67175 0.31641 0.52048 ++ {0.0} {} 0.0 0.0566 0 {} 0 195 {} 7.88236 0.01936 0.02410 ++ {0.0} {} {} 0.92064 0.08623 0.10852 ++ {0.0} {} {} 119.71278 0.26279 0.33008 ++ {0.0} {} 0.0 0.0216 0 {} 0 196 {} 7.88408 0.01809 0.02850 ++ {0.0} {} {} 7.50906 0.06080 0.07661 ++ {0.0} {} {} 119.68301 0.31840 0.40973 ++ {0.0} {} 0.0 0.0225 0 {} 0 197 {} 8.48580 0.02929 0.04561 ++ {0.0} {} {} 1.27204 0.07099 0.08063 ++ {0.0} {} {} 119.32045 0.34924 0.40783 ++ {0.0} {} 0.0 0.0241 0 {} 0 198 {} 8.49284 0.02026 0.02691 ++ {0.0} {} {} 1.50106 0.03018 0.08622 ++ {0.0} {} {} 119.33770 0.32391 0.45673 ++ {0.0} {} 0.0 0.0341 0 {} 0 199 {} 8.49439 0.01997 0.03277 ++ {0.0} {} {} 1.64933 0.03985 0.13412 ++ {0.0} {} {} 119.34191 0.25538 0.34280 ++ {0.0} {} 0.0 0.0306 0 {} 0 200 {} 8.46510 0.02922 0.04175 ++ {0.0} {} {} 1.89830 0.09169 0.22571 ++ {0.0} {} {} 119.34522 0.32004 0.58658 ++ {0.0} {} 0.0 0.1202 0 {} 0 201 {} 8.46474 0.03072 0.04389 ++ {0.0} {} {} 2.05705 0.07020 0.12706 ++ {0.0} {} {} 119.35040 0.32485 0.56858 ++ {0.0} {} 0.0 0.0805 0 {} 0 202 {} 8.49095 0.03072 0.04389 ++ {0.0} {} {} 3.73601 0.06097 0.10137 ++ {0.0} {} {} 119.33835 0.30481 0.51496 ++ {0.0} {} 0.0 0.0647 0 {} 0 203 {} 8.49307 0.01722 0.02042 ++ {0.0} {} {} 3.85712 0.04828 0.06541 ++ {0.0} {} {} 119.32239 0.26044 0.33333 ++ {0.0} {} 0.0 0.0279 0 {} 0 204 {} 8.49213 0.01384 0.01830 ++ {0.0} {} {} 4.15387 0.06946 0.08930 ++ {0.0} {} {} 119.33560 0.24685 0.31501 ++ {0.0} {} 0.0 0.0278 0 {} 0 205 {} 8.49380 0.03072 0.04389 ++ {0.0} {} {} 7.70463 0.06135 0.12813 ++ {0.0} {} {} 119.34428 0.30909 0.54906 ++ {0.0} {} 0.0 0.0899 0 {} 0 206 {} 8.46609 0.00894 0.03766 ++ {0.0} {} {} 7.97373 0.05841 0.09302 ++ {0.0} {} {} 119.34709 0.31012 0.51923 ++ {0.0} {} 0.0 0.0617 0 {} 0 207 {} 8.99889 0.02194 0.03135 ++ {0.0} {} {} 3.31873 0.07763 0.10750 ++ {0.0} {} {} 119.10020 0.34660 0.51761 ++ {0.0} {} 0.0 0.0397 0 {} 0 208 {} 9.02784 0.03072 0.04389 ++ {0.0} {} {} 3.56654 0.09728 0.14039 ++ {0.0} {} {} 119.13027 0.31748 0.49841 ++ {0.0} {} 0.0 0.0467 0 {} 0 209 {} 9.03218 0.01667 0.02320 ++ {0.0} {} {} 3.85124 0.06742 0.08866 ++ {0.0} {} {} 119.06075 0.37280 0.52262 ++ {0.0} {} 0.0 0.0336 0 {} 0 210 {} 8.99504 0.03097 0.04245 ++ {0.0} {} {} 8.19007 0.09507 0.14115 ++ {0.0} {} {} 119.07222 0.28538 0.44100 ++ {0.0} {} 0.0 0.0442 0 {} 0 211 {} 8.21164 0.02828 0.04040 ++ {0.0} {} {} 9.01278 0.07820 0.12478 ++ {0.0} {} {} 118.99790 0.30386 0.52086 ++ {0.0} {} 0.0 0.0703 0 {} 0 212 {} 8.20513 0.03072 0.04389 ++ {0.0} {} {} 7.76601 0.07007 0.11131 ++ {0.0} {} {} 119.00813 0.31403 0.53707 ++ {0.0} {} 0.0 0.0694 0 {} 0 213 {} 8.20420 0.02262 0.04203 ++ {0.0} {} {} 4.24681 0.06832 0.10068 ++ {0.0} {} {} 119.02254 0.29895 0.47180 ++ {0.0} {} 0.0 0.0476 0 {} 0 214 {} 8.21510 0.03950 0.05643 ++ {0.0} {} {} 3.99880 0.07877 0.12614 ++ {0.0} {} {} 119.01824 0.33755 0.59580 ++ {0.0} {} 0.0 0.0855 0 {} 0 215 {} 8.21524 0.01092 0.03808 ++ {0.0} {} {} 3.86660 0.07157 0.12904 ++ {0.0} {} {} 118.99445 0.31094 0.53222 ++ {0.0} {} 0.0 0.0697 0 {} 0 216 {} 8.21080 0.02041 0.04210 ++ {0.0} {} {} 3.58268 0.05278 0.08118 ++ {0.0} {} {} 119.01997 0.29138 0.46508 ++ {0.0} {} 0.0 0.0498 0 {} 0 217 {} 8.24778 0.00948 0.02365 ++ {0.0} {} {} 3.31823 0.09083 0.10759 ++ {0.0} {} {} 119.02253 0.32508 0.39838 ++ {0.0} {} 0.0 0.0259 0 {} 0 218 {} 8.17017 0.00747 0.02827 ++ {0.0} {} {} 0.49701 0.06201 0.09036 ++ {0.0} {} {} 119.01353 0.28444 0.44531 ++ {0.0} {} 0.0 0.0463 0 {} 0 219 {} 8.17468 0.02812 0.04017 ++ {0.0} {} {} 2.04116 0.08035 0.12668 ++ {0.0} {} {} 119.02283 0.36174 0.61515 ++ {0.0} {} 0.0 0.0671 0 {} 0 220 {} 8.17075 0.00958 0.03663 ++ {0.0} {} {} 2.19059 0.07315 0.12816 ++ {0.0} {} {} 119.01836 0.31735 0.55630 ++ {0.0} {} 0.0 0.0814 0 {} 0 221 {} 8.21629 0.01220 0.03972 ++ {0.0} {} {} 2.28672 0.08501 0.12144 ++ {0.0} {} {} 119.00562 0.30181 0.53709 ++ {0.0} {} 0.0 0.0912 0 {} 0 222 {} 8.20885 0.03884 0.05130 ++ {0.0} {} {} 2.54552 0.10688 0.15638 ++ {0.0} {} {} 119.01976 0.34192 0.57497 ++ {0.0} {} 0.0 0.0631 0 {} 0 223 {} 7.73432 0.02194 0.03135 ++ {0.0} {} {} 0.76199 0.06901 0.07330 ++ {0.0} {} {} 118.99170 0.30016 0.33342 ++ {0.0} {} 0.0 0.0226 0 {} 0 224 {} 7.72557 0.00995 0.02495 ++ {0.0} {} {} 3.56889 0.08290 0.09438 ++ {0.0} {} {} 119.01361 0.33836 0.41271 ++ {0.0} {} 0.0 0.0258 0 {} 0 225 {} 7.72400 0.02463 0.04249 ++ {0.0} {} {} 3.88221 0.08347 0.13990 ++ {0.0} {} {} 118.97537 0.30473 0.51584 ++ {0.0} {} 0.0 0.0654 0 {} 0 226 {} 7.73628 0.02426 0.08326 ++ {0.0} {} {} 1.57719 0.08778 0.12540 ++ {0.0} {} {} 118.98422 0.39047 0.65913 ++ {0.0} {} 0.0 0.0644 0 {} 0 227 {} 7.75894 0.03072 0.04389 ++ {0.0} {} {} 8.21225 0.08076 0.14455 ++ {0.0} {} {} 118.98123 0.34016 0.61801 ++ {0.0} {} 0.0 0.1097 0 {} 0 228 {} 7.72404 0.04828 0.06896 ++ {0.0} {} {} 1.91120 0.09640 0.21810 ++ {0.0} {} {} 119.01575 0.38549 0.70648 ++ {0.0} {} 0.0 0.1455 0 {} 0 229 {} 8.32940 0.01399 0.01237 ++ {0.0} {} {} 1.34385 0.03842 0.03211 ++ {0.0} {} {} 118.64617 0.32693 0.27324 ++ {0.0} {} 0.0 0.0173 0 {} 0 230 {} 8.36495 0.01282 0.04892 ++ {0.0} {} {} 1.82704 0.06950 0.11011 ++ {0.0} {} {} 118.68062 0.35567 0.60133 ++ {0.0} {} 0.0 0.0650 0 {} 0 231 {} 8.33155 0.02194 0.03135 ++ {0.0} {} {} 1.97730 0.06432 0.09843 ++ {0.0} {} {} 118.67239 0.31821 0.55807 ++ {0.0} {} 0.0 0.0816 0 {} 0 232 {} 8.33480 0.01319 0.04517 ++ {0.0} {} {} 4.05023 0.07343 0.10159 ++ {0.0} {} {} 118.67495 0.33059 0.54458 ++ {0.0} {} 0.0 0.0570 0 {} 0 233 {} 8.36510 0.03072 0.04389 ++ {0.0} {} {} 4.79624 0.06678 0.11183 ++ {0.0} {} {} 118.68754 0.32891 0.60415 ++ {0.0} {} 0.0 0.1232 0 {} 0 234 {} 8.33053 0.01778 0.02715 ++ {0.0} {} {} 7.99411 0.08267 0.11093 ++ {0.0} {} {} 118.71476 0.30893 0.44072 ++ {0.0} {} 0.0 0.0350 0 {} 0 235 {} 8.36823 0.02171 0.03116 ++ {0.0} {} {} 9.14991 0.06862 0.08474 ++ {0.0} {} {} 118.71675 0.31941 0.41674 ++ {0.0} {} 0.0 0.0289 0 {} 0 236 {} 7.96900 0.03072 0.04389 ++ {0.0} {} {} 0.86309 0.05322 0.08885 ++ {0.0} {} {} 118.28699 0.34278 0.56653 ++ {0.0} {} 0.0 0.0579 0 {} 0 237 {} 7.96782 0.02194 0.03135 ++ {0.0} {} {} 1.08180 0.09085 0.11769 ++ {0.0} {} {} 118.31369 0.37959 0.54286 ++ {0.0} {} 0.0 0.0353 0 {} 0 238 {} 7.96863 0.03072 0.04389 ++ {0.0} {} {} 1.74421 0.09236 0.14953 ++ {0.0} {} {} 118.27320 0.32551 0.53564 ++ {0.0} {} 0.0 0.0567 0 {} 0 239 {} 7.96682 0.03072 0.04389 ++ {0.0} {} {} 1.90542 0.07831 0.14165 ++ {0.0} {} {} 118.29260 0.34808 0.63573 ++ {0.0} {} 0.0 0.1158 0 {} 0 240 {} 7.97391 0.04614 0.09890 ++ {0.0} {} {} 2.13632 0.08625 0.18160 ++ {0.0} {} {} 117.65919 0.29949 0.52335 ++ {0.0} {} 0.0 0.0796 0 {} 0 241 {} 7.97391 0.04614 0.09890 ++ {0.0} {} {} 1.82184 0.08625 0.18160 ++ {0.0} {} {} 117.65919 0.29949 0.52335 ++ {0.0} {} 0.0 0.0796 0 {} 0 242 {I34.H} 7.99442 0.01815 0.02476 ++ {0.0} {} {I34.HA} 3.54887 0.06940 0.08856 ++ {0.0} {} {I34.N} 118.24561 0.32166 0.46489 ++ {0.0} {} 0.0 0.0362 0 {} 0 243 {I34.H} 7.96606 0.01317 0.01881 ++ {0.0} {} {E35.H} 7.78612 0.06921 0.09280 ++ {0.0} {} {I34.N} 118.27669 0.34806 0.54517 ++ {0.0} {} 0.0 0.0463 0 {} 0 244 {I34.H} 7.96767 0.02194 0.03135 ++ {0.0} {} {R33.H} 8.48709 0.05326 0.07832 ++ {0.0} {} {I34.N} 118.29744 0.39906 0.61725 ++ {0.0} {} 0.0 0.0443 0 {} 0 245 {} 7.82324 0.04614 0.09890 ++ {0.0} {} {} 2.16491 0.08625 0.18160 ++ {0.0} {} {} 117.65919 0.29949 0.52335 ++ {0.0} {} 0.0 0.0796 -1 {} 0 246 {} 7.34764 0.02896 0.03411 ++ {0.0} {} {} 1.43090 0.07830 0.11051 ++ {0.0} {} {} 118.34385 0.33725 0.46701 ++ {0.0} {} 0.0 0.0327 0 {} 0 247 {} 7.38211 0.02194 0.03135 ++ {0.0} {} {} 1.65038 0.08348 0.13920 ++ {0.0} {} {} 118.33189 0.29504 0.53090 ++ {0.0} {} 0.0 0.1002 0 {} 0 248 {} 7.35871 0.03660 0.05228 ++ {0.0} {} {} 1.80941 0.06960 0.11474 ++ {0.0} {} {} 118.33265 0.28957 0.49497 ++ {0.0} {} 0.0 0.0691 0 {} 0 249 {} 7.35732 0.02194 0.03135 ++ {0.0} {} {} 2.17987 0.07206 0.11212 ++ {0.0} {} {} 118.34383 0.29606 0.49119 ++ {0.0} {} 0.0 0.0589 0 {} 0 250 {} 7.35872 0.03072 0.04389 ++ {0.0} {} {} 4.10694 0.05731 0.08955 ++ {0.0} {} {} 118.33363 0.30037 0.51798 ++ {0.0} {} 0.0 0.0729 0 {} 0 251 {} 7.35269 0.02038 0.03337 ++ {0.0} {} {} 4.29208 0.05630 0.08731 ++ {0.0} {} {} 118.34029 0.25247 0.40018 ++ {0.0} {} 0.0 0.0484 0 {} 0 252 {} 7.35461 0.01185 0.03519 ++ {0.0} {} {} 4.78227 0.05027 0.07671 ++ {0.0} {} {} 118.33411 0.32177 0.49388 ++ {0.0} {} 0.0 0.0432 0 {} 0 253 {} 7.48264 0.02194 0.03135 ++ {0.0} {} {} 4.28405 0.07252 0.11950 ++ {0.0} {} {} 118.03761 0.32979 0.56494 ++ {0.0} {} 0.0 0.0700 0 {} 0 254 {56.H} 7.50689 0.03072 0.04389 ++ {0.0} {} {55.H} 7.96927 0.07498 0.11962 ++ {0.0} {} {56.N} 118.00811 0.29524 0.49428 ++ {0.0} {} 0.0 0.0617 0 {} 0 255 {} 7.48894 0.01657 0.02131 ++ {0.0} {} {} 1.82108 0.06541 0.09389 ++ {0.0} {} {} 118.01735 0.29568 0.38466 ++ {0.0} {} 0.0 0.0287 0 {} 0 256 {} 7.48386 0.02194 0.03135 ++ {0.0} {} {} 2.17478 0.08816 0.18256 ++ {0.0} {} {} 118.02661 0.33980 0.63166 ++ {0.0} {} 0.0 0.1424 0 {} 0 257 {} 7.48125 0.01565 0.02208 ++ {0.0} {} {} 2.65192 0.07880 0.10569 ++ {0.0} {} {} 118.01680 0.30630 0.44211 ++ {0.0} {} 0.0 0.0361 0 {} 0 258 {} 7.50993 0.03529 0.05643 ++ {0.0} {} {} 2.81126 0.07706 0.10280 ++ {0.0} {} {} 118.01262 0.32450 0.46158 ++ {0.0} {} 0.0 0.0348 0 {} 0 259 {13.H} 8.44001 0.02730 0.03782 ++ {0.0} {} {14.H} 7.75573 0.07068 0.09377 ++ {0.0} {} {13.N} 118.04140 0.31620 0.46845 ++ {0.0} {} 0.0 0.0388 0 {} 0 260 {} 8.33564 0.02194 0.03135 ++ {0.0} {} {} 8.18665 0.03821 0.06863 ++ {0.0} {} {} 118.02887 0.34910 0.57290 ++ {0.0} {} 0.0 0.0560 0 {} 0 261 {} 8.43239 0.02194 0.03135 ++ {0.0} {} {} 4.79092 0.05607 0.10000 ++ {0.0} {} {} 118.00484 0.30041 0.49607 ++ {0.0} {} 0.0 0.0576 0 {} 0 262 {53.H} 8.30631 0.02194 0.03135 ++ {0.0} {} {53.HA} 4.31989 0.07045 0.11829 ++ {0.0} {} {53.N} 118.01513 0.31652 0.55141 ++ {0.0} {} 0.0 0.0779 0 {} 0 263 {13.H} 8.41441 0.02194 0.03135 ++ {0.0} {} {13.HA} 4.27144 0.06421 0.09637 ++ {0.0} {} {13.N} 118.02431 0.31797 0.51343 ++ {0.0} {} 0.0 0.0522 0 {} 0 264 {} 8.33480 0.01319 0.04517 ++ {0.0} {} {} 4.05023 0.07343 0.10159 ++ {0.0} {} {} 118.67495 0.33059 0.54458 ++ {0.0} {} 0.0 0.0570 0 {} 0 265 {} 8.31053 0.02126 0.03089 ++ {0.0} {} {} 3.95850 0.11365 0.14805 ++ {0.0} {} {} 117.97924 0.28738 0.38946 ++ {0.0} {} 0.0 0.0312 0 {} 0 266 {13.H} 8.43573 0.03072 0.04389 ++ {0.0} {} {13.HB2} 3.36907 0.06898 0.10993 ++ {0.0} {} {13.N} 118.02990 0.31021 0.54615 ++ {0.0} {} 0.0 0.0839 0 {} 0 267 {13.H} 8.43486 0.03072 0.04389 ++ {0.0} {} {13.HB3} 2.90029 0.06539 0.11681 ++ {0.0} {} {13.N} 118.02148 0.32076 0.55753 ++ {0.0} {} 0.0 0.0767 0 {} 0 268 {13.H} 8.44031 0.02998 0.04282 ++ {0.0} {} {12.HB2} 1.96857 0.11159 0.14584 ++ {0.0} {} {13.N} 118.01965 0.29504 0.45028 ++ {0.0} {} 0.0 0.0424 0 {} 0 269 {13.H} 8.42064 0.03342 0.03544 ++ {0.0} {} {12.HG3} 1.75176 0.06198 0.06411 ++ {0.0} {} {13.N} 118.01796 0.27795 0.29110 ++ {0.0} {} 0.0 0.0211 0 {} 0 270 {53.H} 8.31245 0.03072 0.04389 ++ {0.0} {} {52.HB3} 2.18172 0.07782 0.12111 ++ {0.0} {} {53.N} 118.01505 0.35182 0.58405 ++ {0.0} {} 0.0 0.0591 0 {} 0 271 {53.H} 8.30961 0.01371 0.03576 ++ {0.0} {} {52.HB2} 2.28716 0.02999 0.09239 ++ {0.0} {} {53.N} 118.01221 0.35034 0.50989 ++ {0.0} {} 0.0 0.0369 0 {} 0 272 {53.H} 8.33557 0.02194 0.03135 ++ {0.0} {} {53.HB3} 2.44781 0.07753 0.13691 ++ {0.0} {} {53.N} 118.00355 0.29236 0.51085 ++ {0.0} {} 0.0 0.0795 0 {} 0 273 {53.H} 8.33258 0.03471 0.09748 ++ {0.0} {} {53.HB2} 2.63335 0.07272 0.13223 ++ {0.0} {} {53.N} 118.00827 0.29768 0.54579 ++ {0.0} {} 0.0 0.1207 0 {} 0 274 {} 7.35485 0.03072 0.04389 ++ {0.0} {} {} 7.49428 0.04585 0.07576 ++ {0.0} {} {} 118.33990 0.29375 0.54153 ++ {0.0} {} 0.0 0.1284 0 {} 0 275 {56.H} 7.50271 0.01526 0.02964 ++ {0.0} {} {55.HA} 3.93402 0.09718 0.11949 ++ {0.0} {} {56.N} 118.01886 0.27994 0.36406 ++ {0.0} {} 0.0 0.0230 0 {} 0 276 {} 7.97072 0.02879 0.05847 ++ {0.0} {} {} -0.28443 0.07468 0.08559 ++ {0.0} {} {} 117.68481 0.25099 0.31283 ++ {0.0} {} 0.0 0.0267 0 {} 0 277 {} 7.97136 0.03072 0.04389 ++ {0.0} {} {} 0.69587 0.07698 0.10283 ++ {0.0} {} {} 117.66148 0.30457 0.44388 ++ {0.0} {} 0.0 0.0370 0 {} 0 278 {} 7.96923 0.02161 0.02817 ++ {0.0} {} {} 1.34100 0.07021 0.07755 ++ {0.0} {} {} 117.65560 0.33080 0.40203 ++ {0.0} {} 0.0 0.0256 0 {} 0 279 {} 7.96682 0.03072 0.04389 ++ {0.0} {} {} 1.90542 0.07831 0.14165 ++ {0.0} {} {} 118.29260 0.34808 0.63573 ++ {0.0} {} 0.0 0.1158 0 {} 0 280 {} 7.96682 0.03072 0.04389 ++ {0.0} {} {} 1.90542 0.07831 0.14165 ++ {0.0} {} {} 118.29260 0.34808 0.63573 ++ {0.0} {} 0.0 0.1158 0 {} 0 281 {} 7.97450 0.03930 0.06133 ++ {0.0} {} {} 2.31160 0.07789 0.15500 ++ {0.0} {} {} 117.66774 0.28596 0.46000 ++ {0.0} {} 0.0 0.0513 0 {} 0 282 {} 7.99710 0.03012 0.11255 ++ {0.0} {} {} 2.63215 0.08887 0.18767 ++ {0.0} {} {} 117.33037 0.31130 0.58397 ++ {0.0} {} 0.0 0.1620 0 {} 0 283 {55.H} 7.96968 0.03091 0.04389 ++ {0.0} {} {55.HA} 3.94263 0.08205 0.13160 ++ {0.0} {} {55.N} 117.69087 0.34194 0.54789 ++ {0.0} {} 0.0 0.0505 0 {} 0 284 {55.H} 7.97419 0.03894 0.10667 ++ {0.0} {} {56.H} 7.49124 0.06557 0.10409 ++ {0.0} {} {55.N} 117.67136 0.30893 0.54629 ++ {0.0} {} 0.0 0.0867 0 {} 0 285 {} 7.63245 0.03080 0.05643 ++ {0.0} {} {} 3.25026 0.10584 0.18453 ++ {0.0} {} {} 117.38819 0.33058 0.60462 ++ {0.0} {} 0.0 0.1175 0 {} 0 286 {} 7.63840 0.03227 0.03714 ++ {0.0} {} {} 4.29363 0.06108 0.07379 ++ {0.0} {} {} 117.38416 0.30857 0.40725 ++ {0.0} {} 0.0 0.0295 0 {} 0 287 {} 7.62842 0.03054 0.09926 ++ {0.0} {} {} 8.33246 0.06707 0.10702 ++ {0.0} {} {} 117.38877 0.32523 0.56441 ++ {0.0} {} 0.0 0.0760 0 {} 0 288 {55.H} 7.96488 0.02602 0.05631 ++ {0.0} {} {54.H} 8.16268 0.03900 0.06853 ++ {0.0} {} {55.N} 117.67459 0.26113 0.42995 ++ {0.0} {} 0.0 0.0569 0 {} 0 289 {} 7.96682 0.03072 0.04389 ++ {0.0} {} {} 1.90542 0.07831 0.14408 ++ {0.0} {} {} 118.29260 0.34808 0.64781 ++ {0.0} {} 0.0 0.1158 0 {} 0 290 {} 7.62711 0.00921 0.03912 ++ {0.0} {} {} 7.92054 0.07219 0.10595 ++ {0.0} {} {} 117.37939 0.28998 0.48585 ++ {0.0} {} 0.0 0.0495 0 {} 0 291 {} 7.63258 0.03401 0.06050 ++ {0.0} {} {} 4.47832 0.06890 0.09941 ++ {0.0} {} {} 117.36711 0.35830 0.59069 ++ {0.0} {} 0.0 0.0457 0 {} 0 292 {C41.H} 8.01620 0.03167 0.10965 ++ {0.0} {} {C41.HA} 4.12882 0.07886 0.14872 ++ {0.0} {} {C41.N} 117.37611 0.32902 0.62701 ++ {0.0} {} 0.0 0.1704 0 {} 0 293 {C41.H} 8.03167 0.02171 0.03101 ++ {0.0} {} {C41.HB2} 3.20517 0.11850 0.14915 ++ {0.0} {} {C41.N} 117.34407 0.35786 0.50878 ++ {0.0} {} 0.0 0.0278 0 {} 0 294 {} 7.99571 0.02886 0.04326 ++ {0.0} {} {} 2.49752 0.08264 0.11806 ++ {0.0} {} {} 117.35665 0.28554 0.48737 ++ {0.0} {} 0.0 0.0548 0 {} 0 295 {} 7.99141 0.03072 0.04389 ++ {0.0} {} {} 1.90715 0.07988 0.13256 ++ {0.0} {} {} 118.25964 0.34726 0.63924 ++ {0.0} {} 0.0 0.1010 0 {} 0 296 {} 8.02185 0.02172 0.03103 ++ {0.0} {} {} 1.69240 0.11649 0.22571 ++ {0.0} {} {} 117.34042 0.29331 0.43448 ++ {0.0} {} 0.0 0.0310 0 {} 0 297 {} 7.99682 0.02253 0.03481 ++ {0.0} {} {} 4.79866 0.06242 0.09623 ++ {0.0} {} {} 117.33707 0.34140 0.59762 ++ {0.0} {} 0.0 0.0644 0 {} 0 298 {} 8.01912 0.01110 0.02850 ++ {0.0} {} {} 4.57891 0.08516 0.10954 ++ {0.0} {} {} 117.36946 0.35863 0.44685 ++ {0.0} {} 0.0 0.0213 0 {} 0 299 {} 8.01985 0.04683 0.11094 ++ {0.0} {} {} 8.40017 0.07494 0.12389 ++ {0.0} {} {} 117.37202 0.32807 0.59566 ++ {0.0} {} 0.0 0.0872 0 {} 0 300 {} 7.99447 0.01970 0.03242 ++ {0.0} {} {} 8.57769 0.06699 0.09350 ++ {0.0} {} {} 117.32007 0.29035 0.44581 ++ {0.0} {} 0.0 0.0346 0 {} 0 301 {} 8.34092 0.02906 0.06896 ++ {0.0} {} {} 2.90193 0.07424 0.12685 ++ {0.0} {} {} 116.65398 0.28873 0.52830 ++ {0.0} {} 0.0 0.0944 0 {} 0 302 {} 8.34249 0.03323 0.10389 ++ {0.0} {} {} 3.27193 0.12061 0.19087 ++ {0.0} {} {} 116.66299 0.29104 0.54137 ++ {0.0} {} 0.0 0.1149 0 {} 0 303 {} 8.34107 0.01808 0.02457 ++ {0.0} {} {} 4.27645 0.06917 0.08532 ++ {0.0} {} {} 116.65753 0.26617 0.36679 ++ {0.0} {} 0.0 0.0258 0 {} 0 304 {} 8.34288 0.02999 0.05636 ++ {0.0} {} {} 4.47577 0.05695 0.09780 ++ {0.0} {} {} 116.67808 0.26997 0.44857 ++ {0.0} {} 0.0 0.0475 0 {} 0 305 {} 8.33964 0.02790 0.10348 ++ {0.0} {} {} 4.62542 0.07043 0.13220 ++ {0.0} {} {} 116.67239 0.28376 0.52727 ++ {0.0} {} 0.0 0.1134 0 {} 0 306 {} 8.34438 0.02017 0.05544 ++ {0.0} {} {} 4.78826 0.05554 0.11558 ++ {0.0} {} {} 115.99969 0.25194 0.45353 ++ {0.0} {} 0.0 0.0804 0 {} 0 307 {} 8.34438 0.02017 0.05544 ++ {0.0} {} {} 4.78826 0.05554 0.11558 ++ {0.0} {} {} 115.99969 0.25194 0.45353 ++ {0.0} {} 0.0 0.0804 0 {} 0 308 {} 8.34208 0.02532 0.03428 ++ {0.0} {} {} 7.28829 0.07047 0.09262 ++ {0.0} {} {} 116.65742 0.31110 0.48242 ++ {0.0} {} 0.0 0.0358 0 {} 0 309 {} 8.34055 0.03065 0.08150 ++ {0.0} {} {} 7.62674 0.07519 0.13422 ++ {0.0} {} {} 116.65931 0.29409 0.56589 ++ {0.0} {} 0.0 0.2121 0 {} 0 310 {} 8.34424 0.03731 0.06994 ++ {0.0} {} {} 8.05900 0.05668 0.08106 ++ {0.0} {} {} 116.66293 0.32009 0.54148 ++ {0.0} {} 0.0 0.0521 0 {} 0 311 {} 8.34613 0.02714 0.03180 ++ {0.0} {} {} 3.22741 0.09437 0.11662 ++ {0.0} {} {} 116.02670 0.28533 0.38161 ++ {0.0} {} 0.0 0.0243 0 {} 0 312 {} 8.33528 0.01632 0.04389 ++ {0.0} {} {} 1.38956 0.05590 0.08237 ++ {0.0} {} {} 116.01099 0.25451 0.38712 ++ {0.0} {} 0.0 0.0336 0 {} 0 313 {} 8.33623 0.03372 0.08423 ++ {0.0} {} {} 1.71630 0.07866 0.14484 ++ {0.0} {} {} 115.99709 0.28687 0.54750 ++ {0.0} {} 0.0 0.1758 0 {} 0 314 {} 8.33945 0.03920 0.09978 ++ {0.0} {} {} 1.91182 0.08792 0.18881 ++ {0.0} {} {} 115.99860 0.28268 0.54624 ++ {0.0} {} 0.0 0.2377 0 {} 0 315 {} 8.34249 0.03323 0.10389 ++ {0.0} {} {} 3.27193 0.12061 0.19087 ++ {0.0} {} {} 116.66299 0.29104 0.54137 ++ {0.0} {} 0.0 0.1149 0 {} 0 316 {} 8.34249 0.03323 0.10389 ++ {0.0} {} {} 3.27193 0.12061 0.19087 ++ {0.0} {} {} 116.66299 0.29104 0.54137 ++ {0.0} {} 0.0 0.1149 0 {} 0 317 {} 8.34150 0.03716 0.07342 ++ {0.0} {} {} 3.95486 0.07615 0.13831 ++ {0.0} {} {} 115.99558 0.27593 0.51563 ++ {0.0} {} 0.0 0.1224 0 {} 0 318 {} 8.34288 0.02999 0.05636 ++ {0.0} {} {} 4.47577 0.05695 0.09780 ++ {0.0} {} {} 116.67808 0.26997 0.44857 ++ {0.0} {} 0.0 0.0475 0 {} 0 319 {} 8.33964 0.02790 0.10348 ++ {0.0} {} {} 4.62542 0.07043 0.13220 ++ {0.0} {} {} 116.67239 0.28376 0.52727 ++ {0.0} {} 0.0 0.1134 0 {} 0 320 {} 8.34055 0.03065 0.08150 ++ {0.0} {} {} 7.62674 0.07519 0.13422 ++ {0.0} {} {} 116.65931 0.29409 0.56589 ++ {0.0} {} 0.0 0.2121 0 {} 0 321 {} 8.33644 0.01815 0.02242 ++ {0.0} {} {} 4.41294 0.06417 0.07659 ++ {0.0} {} {} 115.96206 0.28889 0.37428 ++ {0.0} {} 0.0 0.0228 0 {} 0 322 {} 8.34055 0.03065 0.08150 ++ {0.0} {} {} 7.62674 0.07519 0.13422 ++ {0.0} {} {} 116.65931 0.29409 0.56589 ++ {0.0} {} 0.0 0.2121 0 {} 0 323 {} 7.77580 0.01312 0.02708 ++ {0.0} {} {} 0.72245 0.05647 0.05447 ++ {0.0} {} {} 116.00374 0.21615 0.20545 ++ {0.0} {} 0.0 0.0153 0 {} 0 324 {} 7.78444 0.01591 0.02040 ++ {0.0} {} {} 1.40745 0.06293 0.07390 ++ {0.0} {} {} 115.98302 0.27619 0.35201 ++ {0.0} {} 0.0 0.0222 0 {} 0 325 {} 7.77306 0.04169 0.06323 ++ {0.0} {} {} 1.62955 0.09443 0.16913 ++ {0.0} {} {} 116.00421 0.30393 0.52844 ++ {0.0} {} 0.0 0.0615 0 {} 0 326 {} 7.76645 0.04069 0.05389 ++ {0.0} {} {} 2.44612 0.06226 0.09757 ++ {0.0} {} {} 115.98882 0.30955 0.51871 ++ {0.0} {} 0.0 0.0496 0 {} 0 327 {} 7.77148 0.04405 0.06996 ++ {0.0} {} {} 2.65363 0.08490 0.15889 ++ {0.0} {} {} 115.99556 0.31021 0.55526 ++ {0.0} {} 0.0 0.0765 0 {} 0 328 {} 7.76839 0.04476 0.09164 ++ {0.0} {} {} 2.78214 0.07744 0.12540 ++ {0.0} {} {} 115.99323 0.30401 0.54656 ++ {0.0} {} 0.0 0.0795 0 {} 0 329 {} 7.77421 0.02116 0.04389 ++ {0.0} {} {} 3.36713 0.07749 0.10241 ++ {0.0} {} {} 116.01163 0.37042 0.56328 ++ {0.0} {} 0.0 0.0335 0 {} 0 330 {} 7.76899 0.04043 0.07163 ++ {0.0} {} {} 3.55960 0.06047 0.10008 ++ {0.0} {} {} 115.99213 0.29005 0.50599 ++ {0.0} {} 0.0 0.0629 0 {} 0 331 {} 7.76506 0.02865 0.03934 ++ {0.0} {} {} 4.27966 0.07367 0.09439 ++ {0.0} {} {} 116.01429 0.33609 0.47592 ++ {0.0} {} 0.0 0.0275 0 {} 0 332 {} 7.75961 0.01317 0.01881 ++ {0.0} {} {} 4.78314 0.04147 0.05833 ++ {0.0} {} {} 115.99496 0.30564 0.42840 ++ {0.0} {} 0.0 0.0269 0 {} 0 333 {} 7.77386 0.02633 0.06930 ++ {0.0} {} {} 5.93937 0.06287 0.08859 ++ {0.0} {} {} 116.01154 0.27417 0.43637 ++ {0.0} {} 0.0 0.0394 0 {} 0 334 {} 7.76946 0.03807 0.05811 ++ {0.0} {} {} 8.41323 0.05805 0.09701 ++ {0.0} {} {} 115.99591 0.30604 0.51931 ++ {0.0} {} 0.0 0.0530 0 {} 0 335 {} 7.76741 0.03732 0.08357 ++ {0.0} {} {} 8.53608 0.06501 0.10734 ++ {0.0} {} {} 116.00983 0.30148 0.54593 ++ {0.0} {} 0.0 0.0850 0 {} 0 336 {} 7.76309 0.03393 0.04256 ++ {0.0} {} {} 9.19479 0.07246 0.08830 ++ {0.0} {} {} 116.00285 0.38610 0.52924 ++ {0.0} {} 0.0 0.0255 0 {} 0 337 {} 8.34055 0.03065 0.08150 ++ {0.0} {} {} 7.62674 0.07519 0.13526 ++ {0.0} {} {} 116.65931 0.29409 0.57034 ++ {0.0} {} 0.0 0.2121 0 {} 0 338 {} 8.34055 0.03065 0.08150 ++ {0.0} {} {} 7.62674 0.07519 0.13526 ++ {0.0} {} {} 116.65931 0.29409 0.57034 ++ {0.0} {} 0.0 0.2121 0 {} 0 339 {} 8.34249 0.03323 0.10389 ++ {0.0} {} {} 3.27193 0.12061 0.19087 ++ {0.0} {} {} 116.66299 0.29104 0.54137 ++ {0.0} {} 0.0 0.1149 0 {} 0 340 {} 8.34055 0.03065 0.07977 ++ {0.0} {} {} 7.62674 0.07519 0.13130 ++ {0.0} {} {} 116.65931 0.29409 0.55335 ++ {0.0} {} 0.0 0.2121 0 {} 0 341 {} 8.33831 0.02017 0.03731 ++ {0.0} {} {} 7.70572 0.06610 0.11287 ++ {0.0} {} {} 115.99969 0.25194 0.42521 ++ {0.0} {} 0.0 0.0804 0 {} 0 342 {} 8.34249 0.03323 0.10177 ++ {0.0} {} {} 3.27193 0.12061 0.18758 ++ {0.0} {} {} 116.66299 0.29104 0.53120 ++ {0.0} {} 0.0 0.1149 0 {} 0 343 {} 8.34249 0.03323 0.10177 ++ {0.0} {} {} 3.27193 0.12061 0.18758 ++ {0.0} {} {} 116.66299 0.29104 0.53120 ++ {0.0} {} 0.0 0.1149 0 {} 0 344 {} 8.34288 0.02999 0.05364 ++ {0.0} {} {} 4.47577 0.05695 0.09257 ++ {0.0} {} {} 116.67808 0.26997 0.42573 ++ {0.0} {} 0.0 0.0475 0 {} 0 345 {} 8.07532 0.01914 0.02898 ++ {0.0} {} {} 2.90070 0.07200 0.10740 ++ {0.0} {} {} 115.64292 0.30372 0.48800 ++ {0.0} {} 0.0 0.0409 0 {} 0 346 {} 8.06833 0.02646 0.09691 ++ {0.0} {} {} 7.29304 0.05751 0.12505 ++ {0.0} {} {} 115.63795 0.28898 0.56923 ++ {0.0} {} 0.0 0.5319 0 {} 0 347 {} 7.29693 0.03427 0.09700 ++ {0.0} {} {} 8.06745 0.06259 0.12763 ++ {0.0} {} {} 115.64568 0.30042 0.59092 ++ {0.0} {} 0.0 0.4874 0 {} 0 348 {} 7.29108 0.02333 0.03013 ++ {0.0} {} {} 2.90530 0.07615 0.10228 ++ {0.0} {} {} 115.61936 0.27843 0.40827 ++ {0.0} {} 0.0 0.0301 0 {} 0 349 {} 7.28441 0.00858 0.02036 ++ {0.0} {} {} 2.44270 0.06370 0.07216 ++ {0.0} {} {} 115.66899 0.35403 0.40741 ++ {0.0} {} 0.0 0.0189 0 {} 0 350 {} 8.07052 0.03617 0.04197 ++ {0.0} {} {} 0.58284 0.06987 0.08382 ++ {0.0} {} {} 115.65572 0.32314 0.41439 ++ {0.0} {} 0.0 0.0224 0 {} 0 351 {} 7.29755 0.01533 0.02029 ++ {0.0} {} {} 0.56490 0.06829 0.09321 ++ {0.0} {} {} 115.67300 0.27200 0.38587 ++ {0.0} {} 0.0 0.0277 0 {} 0 352 {} 7.99209 0.03390 0.05800 ++ {0.0} {} {} 2.74064 0.07689 0.14141 ++ {0.0} {} {} 114.97534 0.31055 0.55031 ++ {0.0} {} 0.0 0.0881 0 {} 0 353 {} 7.98826 0.02356 0.04888 ++ {0.0} {} {} 2.99745 0.08084 0.12720 ++ {0.0} {} {} 114.96453 0.34150 0.57973 ++ {0.0} {} 0.0 0.0665 0 {} 0 354 {} 7.99237 0.03628 0.04513 ++ {0.0} {} {} 4.28721 0.06703 0.07447 ++ {0.0} {} {} 114.94298 0.30065 0.34751 ++ {0.0} {} 0.0 0.0238 0 {} 0 355 {} 7.99360 0.03396 0.06722 ++ {0.0} {} {} 4.77125 0.07089 0.11866 ++ {0.0} {} {} 114.95683 0.35795 0.61520 ++ {0.0} {} 0.0 0.0714 0 {} 0 356 {} 7.99178 0.03772 0.04604 ++ {0.0} {} {} 4.61890 0.07267 0.08780 ++ {0.0} {} {} 114.93830 0.23703 0.29933 ++ {0.0} {} 0.0 0.0273 0 {} 0 357 {} 7.99041 0.04524 0.04683 ++ {0.0} {} {} 7.20910 0.05550 0.05916 ++ {0.0} {} {} 114.92146 0.48040 0.51550 ++ {0.0} {} 0.0 0.0217 0 {} 0 358 {} 7.99823 0.03079 0.03643 ++ {0.0} {} {} 8.63476 0.09224 0.10886 ++ {0.0} {} {} 114.96283 0.26814 0.31442 ++ {0.0} {} 0.0 0.0243 0 {} 0 359 {} 9.19921 0.02849 0.06584 ++ {0.0} {} {} 1.40839 0.06470 0.12059 ++ {0.0} {} {} 114.60606 0.33113 0.61464 ++ {0.0} {} 0.0 0.1397 0 {} 0 360 {} 9.19580 0.01975 0.02462 ++ {0.0} {} {} 1.63084 0.08334 0.10654 ++ {0.0} {} {} 114.60407 0.33343 0.47223 ++ {0.0} {} 0.0 0.0344 0 {} 0 361 {} 9.20271 0.03188 0.05468 ++ {0.0} {} {} 2.64774 0.09054 0.15929 ++ {0.0} {} {} 114.59151 0.35467 0.55921 ++ {0.0} {} 0.0 0.0475 0 {} 0 362 {} 9.20151 0.02634 0.03951 ++ {0.0} {} {} 2.77210 0.07485 0.11435 ++ {0.0} {} {} 114.62848 0.33984 0.53642 ++ {0.0} {} 0.0 0.0477 0 {} 0 363 {} 9.19956 0.03733 0.04793 ++ {0.0} {} {} 3.12690 0.06767 0.09552 ++ {0.0} {} {} 114.62261 0.32641 0.50144 ++ {0.0} {} 0.0 0.0433 0 {} 0 364 {} 9.19523 0.01909 0.02880 ++ {0.0} {} {} 4.48951 0.06404 0.09147 ++ {0.0} {} {} 114.62143 0.30542 0.45547 ++ {0.0} {} 0.0 0.0395 0 {} 0 365 {} 9.19853 0.01696 0.02278 ++ {0.0} {} {} 4.79156 0.04958 0.06325 ++ {0.0} {} {} 114.63062 0.28691 0.35389 ++ {0.0} {} 0.0 0.0262 0 {} 0 366 {} 9.19961 0.03109 0.05928 ++ {0.0} {} {} 4.96622 0.06314 0.13684 ++ {0.0} {} {} 114.60913 0.34163 0.63541 ++ {0.0} {} 0.0 0.1435 0 {} 0 367 {} 9.20302 0.01991 0.02312 ++ {0.0} {} {} 7.76824 0.06786 0.07521 ++ {0.0} {} {} 114.64524 0.41518 0.47559 ++ {0.0} {} 0.0 0.0235 0 {} 0 368 {} 8.02685 0.01978 0.02690 ++ {0.0} {} {} 0.88120 0.07310 0.10015 ++ {0.0} {} {} 114.32157 0.31116 0.47080 ++ {0.0} {} 0.0 0.0413 0 {} 0 369 {} 8.02447 0.02748 0.05604 ++ {0.0} {} {} 1.48716 0.06276 0.12592 ++ {0.0} {} {} 114.32188 0.30343 0.58156 ++ {0.0} {} 0.0 0.2409 0 {} 0 370 {} 8.01986 0.02092 0.02926 ++ {0.0} {} {} 1.61419 0.04666 0.06952 ++ {0.0} {} {} 114.32155 0.28676 0.42387 ++ {0.0} {} 0.0 0.0385 0 {} 0 371 {} 8.02452 0.02637 0.05694 ++ {0.0} {} {} 3.34254 0.07830 0.15880 ++ {0.0} {} {} 114.32288 0.30094 0.58747 ++ {0.0} {} 0.0 0.4196 0 {} 0 372 {} 8.02656 0.02201 0.03659 ++ {0.0} {} {} 3.78308 0.06792 0.10397 ++ {0.0} {} {} 114.31255 0.28244 0.45780 ++ {0.0} {} 0.0 0.0530 0 {} 0 373 {} 8.02414 0.02393 0.03717 ++ {0.0} {} {} 4.07658 0.06591 0.09823 ++ {0.0} {} {} 114.33704 0.28871 0.45500 ++ {0.0} {} 0.0 0.0474 0 {} 0 374 {} 8.02655 0.02723 0.05362 ++ {0.0} {} {} 4.49713 0.06698 0.12903 ++ {0.0} {} {} 114.32011 0.29555 0.55519 ++ {0.0} {} 0.0 0.1654 0 {} 0 375 {} 8.02433 0.02536 0.05221 ++ {0.0} {} {} 8.18417 0.05501 0.07306 ++ {0.0} {} {} 114.31818 0.29092 0.52989 ++ {0.0} {} 0.0 0.1125 0 {} 0 376 {} 8.02579 0.02498 0.04802 ++ {0.0} {} {} 8.37072 0.05589 0.10676 ++ {0.0} {} {} 114.32642 0.29793 0.55709 ++ {0.0} {} 0.0 0.1545 0 {} 0 377 {} 7.92849 0.02699 0.04759 ++ {0.0} {} {} 9.05139 0.06387 0.11489 ++ {0.0} {} {} 114.32145 0.30990 0.55618 ++ {0.0} {} 0.0 0.0979 0 {} 0 378 {} 7.92673 0.02583 0.04998 ++ {0.0} {} {} 7.62806 0.06695 0.10749 ++ {0.0} {} {} 114.34401 0.32411 0.59364 ++ {0.0} {} 0.0 0.1193 0 {} 0 379 {} 7.92651 0.02738 0.05974 ++ {0.0} {} {} 3.21909 0.07071 0.14868 ++ {0.0} {} {} 114.33468 0.32355 0.63929 ++ {0.0} {} 0.0 0.4092 0 {} 0 380 {} 7.92706 0.02472 0.03457 ++ {0.0} {} {} 4.03407 0.06610 0.09701 ++ {0.0} {} {} 114.33011 0.29798 0.46519 ++ {0.0} {} 0.0 0.0458 0 {} 0 381 {} 7.92590 0.01620 0.04046 ++ {0.0} {} {} 4.26650 0.05750 0.11930 ++ {0.0} {} {} 114.33318 0.30702 0.57057 ++ {0.0} {} 0.0 0.1419 0 {} 0 382 {} 7.92479 0.01275 0.01755 ++ {0.0} {} {} 4.65648 0.06213 0.07799 ++ {0.0} {} {} 114.32114 0.30866 0.41812 ++ {0.0} {} 0.0 0.0311 0 {} 0 383 {} 7.92415 0.02068 0.02417 ++ {0.0} {} {} 6.97269 0.05157 0.05899 ++ {0.0} {} {} 114.30512 0.25877 0.30552 ++ {0.0} {} 0.0 0.0245 0 {} 0 384 {} 7.93366 0.01770 0.01648 ++ {0.0} {} {} 7.11216 0.04687 0.04278 ++ {0.0} {} {} 114.28760 0.35161 0.32091 ++ {0.0} {} 0.0 0.0185 0 {} 0 385 {} 7.92724 0.01635 0.02205 ++ {0.0} {} {} 6.82892 0.06600 0.07982 ++ {0.0} {} {} 114.34879 0.24737 0.33371 ++ {0.0} {} 0.0 0.0247 0 {} 0 386 {} 8.53426 0.01976 0.03284 ++ {0.0} {} {} 1.34240 0.05657 0.09147 ++ {0.0} {} {} 113.62548 0.37480 0.64210 ++ {0.0} {} 0.0 0.0701 0 {} 0 387 {} 8.53516 0.01912 0.02811 ++ {0.0} {} {} 1.63465 0.07617 0.10972 ++ {0.0} {} {} 113.60275 0.32685 0.51771 ++ {0.0} {} 0.0 0.0483 0 {} 0 388 {} 8.53686 0.02170 0.01925 ++ {0.0} {} {} 2.44763 0.07016 0.06290 ++ {0.0} {} {} 113.55714 0.39695 0.34464 ++ {0.0} {} 0.0 0.0178 0 {} 0 389 {} 8.53462 0.02394 0.04790 ++ {0.0} {} {} 2.65055 0.09861 0.17554 ++ {0.0} {} {} 113.62588 0.32968 0.55650 ++ {0.0} {} 0.0 0.0644 0 {} 0 390 {} 8.54293 0.01722 0.02139 ++ {0.0} {} {} 2.77319 0.09190 0.12036 ++ {0.0} {} {} 113.64127 0.31085 0.42080 ++ {0.0} {} 0.0 0.0311 0 {} 0 391 {} 8.53298 0.01855 0.01605 ++ {0.0} {} {} 3.11519 0.09031 0.08219 ++ {0.0} {} {} 113.64224 0.42378 0.35982 ++ {0.0} {} 0.0 0.0175 0 {} 0 392 {} 8.53500 0.02299 0.04085 ++ {0.0} {} {} 3.42693 0.06604 0.10238 ++ {0.0} {} {} 113.60250 0.31645 0.53806 ++ {0.0} {} 0.0 0.0671 0 {} 0 393 {} 8.54148 0.02508 0.02948 ++ {0.0} {} {} 3.55104 0.06478 0.08248 ++ {0.0} {} {} 113.66541 0.32058 0.40424 ++ {0.0} {} 0.0 0.0272 0 {} 0 394 {} 8.53804 0.01306 0.02114 ++ {0.0} {} {} 4.14329 0.07601 0.10555 ++ {0.0} {} {} 113.64448 0.36329 0.55042 ++ {0.0} {} 0.0 0.0414 0 {} 0 395 {} 8.53589 0.02175 0.04659 ++ {0.0} {} {} 4.33269 0.06152 0.12208 ++ {0.0} {} {} 113.61827 0.33795 0.62216 ++ {0.0} {} 0.0 0.1264 0 {} 0 396 {} 8.53246 0.01873 0.03121 ++ {0.0} {} {} 4.78899 0.04516 0.07305 ++ {0.0} {} {} 113.61778 0.31564 0.50387 ++ {0.0} {} 0.0 0.0498 0 {} 0 397 {} 8.53456 0.02421 0.04342 ++ {0.0} {} {} 7.76292 0.07349 0.12275 ++ {0.0} {} {} 113.62145 0.33260 0.60378 ++ {0.0} {} 0.0 0.1088 0 {} 0 398 {} 8.53712 0.02048 0.04620 ++ {0.0} {} {} 8.22530 0.06621 0.11122 ++ {0.0} {} {} 113.62159 0.34523 0.61906 ++ {0.0} {} 0.0 0.0972 0 {} 0 399 {} 8.54213 0.01421 0.01456 ++ {0.0} {} {} 9.19900 0.06945 0.07075 ++ {0.0} {} {} 113.63650 0.27830 0.28537 ++ {0.0} {} 0.0 0.0206 0 {} 0 400 {} 8.40677 0.03215 0.05479 ++ {0.0} {} {} 0.73527 0.07107 0.12297 ++ {0.0} {} {} 113.01057 0.33884 0.59562 ++ {0.0} {} 0.0 0.0830 0 {} 0 401 {} 8.40379 0.01120 0.02423 ++ {0.0} {} {} 0.90764 0.06622 0.06585 ++ {0.0} {} {} 113.03262 0.33908 0.33657 ++ {0.0} {} 0.0 0.0199 0 {} 0 402 {} 8.40675 0.03293 0.06903 ++ {0.0} {} {} 1.60595 0.09071 0.17555 ++ {0.0} {} {} 113.00700 0.32924 0.61490 ++ {0.0} {} 0.0 0.1518 0 {} 0 403 {} 8.40601 0.03049 0.05729 ++ {0.0} {} {} 1.72508 0.07637 0.12007 ++ {0.0} {} {} 112.99478 0.32043 0.59074 ++ {0.0} {} 0.0 0.1285 0 {} 0 404 {} 8.40506 0.02921 0.05869 ++ {0.0} {} {} 1.96765 0.08181 0.14687 ++ {0.0} {} {} 113.00595 0.31901 0.58318 ++ {0.0} {} 0.0 0.1169 0 {} 0 405 {} 8.40217 0.02401 0.03028 ++ {0.0} {} {} 3.76661 0.06083 0.07491 ++ {0.0} {} {} 113.00903 0.25415 0.33970 ++ {0.0} {} 0.0 0.0303 0 {} 0 406 {} 8.40115 0.02059 0.02989 ++ {0.0} {} {} 3.90708 0.05665 0.07451 ++ {0.0} {} {} 112.97903 0.27717 0.38329 ++ {0.0} {} 0.0 0.0326 0 {} 0 407 {} 8.40656 0.03737 0.04619 ++ {0.0} {} {} 4.16071 0.11175 0.14046 ++ {0.0} {} {} 112.98386 0.34669 0.49924 ++ {0.0} {} 0.0 0.0359 0 {} 0 408 {} 8.40418 0.02724 0.05785 ++ {0.0} {} {} 4.57325 0.07189 0.12138 ++ {0.0} {} {} 112.99410 0.32712 0.57556 ++ {0.0} {} 0.0 0.0836 0 {} 0 409 {} 8.40596 0.02493 0.06451 ++ {0.0} {} {} 8.01581 0.06891 0.11716 ++ {0.0} {} {} 113.00592 0.31304 0.58878 ++ {0.0} {} 0.0 0.1686 0 {} 0 410 {} 8.40602 0.03307 0.05877 ++ {0.0} {} {} 8.17603 0.07018 0.10558 ++ {0.0} {} {} 112.99406 0.32107 0.57725 ++ {0.0} {} 0.0 0.0994 0 {} 0 411 {} 7.53261 0.01411 0.03604 ++ {0.0} {} {} 4.79082 0.04382 0.09185 ++ {0.0} {} {} 112.96014 0.29620 0.55976 ++ {0.0} {} 0.0 0.1823 0 {} 0 412 {} 7.53206 0.01628 0.03713 ++ {0.0} {} {} 6.85956 0.05880 0.12131 ++ {0.0} {} {} 112.96190 0.30184 0.59522 ++ {0.0} {} 0.0 0.7177 0 {} 0 413 {} 6.86497 0.02224 0.04315 ++ {0.0} {} {} 4.78972 0.04773 0.09347 ++ {0.0} {} {} 112.96297 0.30799 0.57147 ++ {0.0} {} 0.0 0.1391 0 {} 0 414 {} 6.86293 0.02331 0.04890 ++ {0.0} {} {} 7.53113 0.06329 0.12594 ++ {0.0} {} {} 112.96261 0.30696 0.60366 ++ {0.0} {} 0.0 0.6019 0 {} 0 415 {} 7.42753 0.02428 0.04009 ++ {0.0} {} {} 1.03832 0.06816 0.10485 ++ {0.0} {} {} 112.30434 0.35956 0.60060 ++ {0.0} {} 0.0 0.0610 0 {} 0 416 {} 7.42420 0.01493 0.02194 ++ {0.0} {} {} 2.44011 0.10771 0.13761 ++ {0.0} {} {} 112.28882 0.34376 0.51191 ++ {0.0} {} 0.0 0.0393 0 {} 0 417 {} 7.43063 0.01841 0.03305 ++ {0.0} {} {} 2.63064 0.07552 0.11348 ++ {0.0} {} {} 112.28638 0.38201 0.62929 ++ {0.0} {} 0.0 0.0570 0 {} 0 418 {} 7.43215 0.02256 0.04842 ++ {0.0} {} {} 4.79357 0.05253 0.08831 ++ {0.0} {} {} 112.26256 0.34365 0.60391 ++ {0.0} {} 0.0 0.0828 0 {} 0 419 {} 7.42709 0.02460 0.06662 ++ {0.0} {} {} 6.88219 0.05962 0.12788 ++ {0.0} {} {} 112.27962 0.32294 0.63645 ++ {0.0} {} 0.0 0.6876 0 {} 0 420 {} 6.88690 0.02912 0.06414 ++ {0.0} {} {} 7.42389 0.07155 0.13214 ++ {0.0} {} {} 112.28162 0.34356 0.67518 ++ {0.0} {} 0.0 0.5777 0 {} 0 421 {} 6.86497 0.02224 0.04315 ++ {0.0} {} {} 4.78972 0.04773 0.09347 ++ {0.0} {} {} 112.96297 0.30799 0.57147 ++ {0.0} {} 0.0 0.1391 0 {} 0 422 {} 6.89115 0.03031 0.06256 ++ {0.0} {} {} 4.78927 0.04421 0.07578 ++ {0.0} {} {} 112.27455 0.34525 0.59296 ++ {0.0} {} 0.0 0.0711 0 {} 0 423 {} 6.88127 0.01985 0.02498 ++ {0.0} {} {} 2.63261 0.07420 0.09724 ++ {0.0} {} {} 112.27910 0.26061 0.37305 ++ {0.0} {} 0.0 0.0353 0 {} 0 424 {} 6.87970 0.01883 0.02253 ++ {0.0} {} {} 2.43787 0.05889 0.07512 ++ {0.0} {} {} 112.33633 0.30807 0.41082 ++ {0.0} {} 0.0 0.0302 0 {} 0 425 {} 6.88579 0.02890 0.04141 ++ {0.0} {} {} 1.03500 0.06806 0.10200 ++ {0.0} {} {} 112.30737 0.36186 0.59109 ++ {0.0} {} 0.0 0.0548 0 {} 0 426 {} 7.63989 0.01242 0.01373 ++ {0.0} {} {} 0.24771 0.09166 0.09725 ++ {0.0} {} {} 111.96571 0.27408 0.29557 ++ {0.0} {} 0.0 0.0218 0 {} 0 427 {} 7.64868 0.02470 0.03845 ++ {0.0} {} {} 0.58023 0.06807 0.09449 ++ {0.0} {} {} 111.94809 0.36692 0.55856 ++ {0.0} {} 0.0 0.0421 0 {} 0 428 {} 7.64594 0.01963 0.03164 ++ {0.0} {} {} 1.26812 0.07550 0.11578 ++ {0.0} {} {} 111.87324 0.43962 0.67338 ++ {0.0} {} 0.0 0.0429 0 {} 0 429 {} 7.64674 0.02759 0.06032 ++ {0.0} {} {} 1.38703 0.07381 0.14223 ++ {0.0} {} {} 111.93053 0.33811 0.61954 ++ {0.0} {} 0.0 0.1199 0 {} 0 430 {} 7.64700 0.02195 0.03128 ++ {0.0} {} {} 1.55982 0.10867 0.14027 ++ {0.0} {} {} 111.96170 0.37557 0.53373 ++ {0.0} {} 0.0 0.0347 0 {} 0 431 {} 7.64842 0.02626 0.04586 ++ {0.0} {} {} 1.93386 0.08712 0.13943 ++ {0.0} {} {} 111.92794 0.33859 0.56129 ++ {0.0} {} 0.0 0.0587 0 {} 0 432 {} 7.64461 0.01836 0.04570 ++ {0.0} {} {} 4.43218 0.06992 0.11177 ++ {0.0} {} {} 111.95104 0.39457 0.63905 ++ {0.0} {} 0.0 0.0528 0 {} 0 433 {} 7.64929 0.03258 0.06945 ++ {0.0} {} {} 4.69238 0.06561 0.13107 ++ {0.0} {} {} 111.91094 0.35299 0.66477 ++ {0.0} {} 0.0 0.1721 0 {} 0 434 {Q52.HE22} 6.93104 0.02666 0.05529 ++ {0.0} {} {Q52.HE21} 7.54945 0.05882 0.11997 ++ {0.0} {} {Q52.NE2} 111.29076 0.32688 0.63846 ++ {0.0} {} 0.0 0.4292 0 {} 0 435 {} 6.93131 0.02315 0.04851 ++ {0.0} {} {} 4.78709 0.04283 0.08298 ++ {0.0} {} {} 111.28966 0.30265 0.56295 ++ {0.0} {} 0.0 0.1436 -1 {} 0 436 {Q14.HE21} 7.72453 0.02791 0.12298 ++ {0.0} {} {Q14.HE22} 6.82117 0.06271 0.13108 ++ {0.0} {} {Q14.NE2} 110.98268 0.35204 0.73209 ++ {0.0} {} 0.0 0.3066 0 {} 0 437 {} 7.71861 0.01686 0.02152 ++ {0.0} {} {} 2.78029 0.09695 0.14764 ++ {0.0} {} {} 110.96880 0.35051 0.47342 ++ {0.0} {} 0.0 0.0248 0 {} 0 438 {} 7.72375 0.02428 0.04292 ++ {0.0} {} {} 2.44651 0.08424 0.12267 ++ {0.0} {} {} 110.94037 0.33971 0.53023 ++ {0.0} {} 0.0 0.0366 0 {} 0 439 {} 7.72343 0.02461 0.03542 ++ {0.0} {} {} 1.58628 0.09260 0.14825 ++ {0.0} {} {} 110.98290 0.30590 0.49161 ++ {0.0} {} 0.0 0.0409 0 {} 0 440 {} 7.72130 0.02414 0.03215 ++ {0.0} {} {} 0.93574 0.05498 0.08179 ++ {0.0} {} {} 110.96834 0.37199 0.57138 ++ {0.0} {} 0.0 0.0347 0 {} 0 441 {} 7.72441 0.02348 0.02937 ++ {0.0} {} {} 0.71633 0.06637 0.08099 ++ {0.0} {} {} 110.90771 0.25364 0.32911 ++ {0.0} {} 0.0 0.0229 0 {} 0 442 {} 6.82761 0.03052 0.03301 ++ {0.0} {} {} 0.70069 0.07928 0.08680 ++ {0.0} {} {} 110.99473 0.24881 0.28308 ++ {0.0} {} 0.0 0.0186 0 {} 0 443 {} 6.82503 0.02424 0.05016 ++ {0.0} {} {} 0.94769 0.06446 0.08979 ++ {0.0} {} {} 110.95791 0.35531 0.58549 ++ {0.0} {} 0.0 0.0457 0 {} 0 444 {Q14.HE22} 6.83383 0.02271 0.03375 ++ {0.0} {} {Q14.HB3} 1.60292 0.06868 0.09322 ++ {0.0} {} {Q14.NE2} 110.96265 0.36247 0.51629 ++ {0.0} {} 0.0 0.0279 0 {} 0 445 {Q14.HE22} 6.83238 0.02332 0.03241 ++ {0.0} {} {Q14.HG3} 2.44959 0.07160 0.09532 ++ {0.0} {} {Q14.NE2} 110.98503 0.31967 0.49402 ++ {0.0} {} 0.0 0.0354 0 {} 0 446 {Q14.HE22} 6.83325 0.02066 0.02376 ++ {0.0} {} {Q14.HG2} 2.79102 0.06072 0.06994 ++ {0.0} {} {Q14.NE2} 110.97931 0.37191 0.44062 ++ {0.0} {} 0.0 0.0197 0 {} 0 447 {Q14.HE22} 6.82489 0.03128 0.08119 ++ {0.0} {} {Q14.HE21} 7.72047 0.07255 0.14055 ++ {0.0} {} {Q14.NE2} 110.98140 0.34090 0.71768 ++ {0.0} {} 0.0 0.2827 0 {} 0 448 {} 9.30178 0.03247 0.06887 ++ {0.0} {} {} 4.78547 0.04910 0.08641 ++ {0.0} {} {} 109.92438 0.33807 0.60593 ++ {0.0} {} 0.0 0.0968 0 {} 0 449 {} 9.31427 0.01972 0.01847 ++ {0.0} {} {} 2.39260 0.06562 0.06010 ++ {0.0} {} {} 109.95412 0.31107 0.28917 ++ {0.0} {} 0.0 0.0188 0 {} 0 450 {} 9.29807 0.01284 0.01902 ++ {0.0} {} {} 1.93219 0.05866 0.08578 ++ {0.0} {} {} 109.95971 0.32284 0.47100 ++ {0.0} {} 0.0 0.0371 0 {} 0 451 {T43.H} 8.76487 0.03364 0.07061 ++ {0.0} {} {L42.HA} 4.96667 0.06625 0.12102 ++ {0.0} {} {T43.N} 109.32883 0.33171 0.61490 ++ {0.0} {} 0.0 0.1374 0 {} 0 452 {T43.H} 8.76300 0.02815 0.03047 ++ {0.0} {} {L42.HD11} 0.73058 0.09256 0.11013 ++ {0.0} {} {T43.N} 109.33007 0.28110 0.34058 ++ {0.0} {} 0.0 0.0255 0 {} 0 453 {T43.H} 8.76252 0.02981 0.06130 ++ {0.0} {} {L42.HD21} 0.94251 0.06357 0.09402 ++ {0.0} {} {T43.N} 109.32183 0.34777 0.56158 ++ {0.0} {} 0.0 0.0522 0 {} 0 454 {T43.H} 8.76468 0.03687 0.09158 ++ {0.0} {} {L42.HB3} 1.35699 0.07387 0.12542 ++ {0.0} {} {T43.N} 109.33556 0.33947 0.64269 ++ {0.0} {} 0.0 0.1882 0 {} 0 455 {T43.H} 8.76994 0.02019 0.05620 ++ {0.0} {} {L42.HB2} 1.65273 0.09027 0.16694 ++ {0.0} {} {T43.N} 109.31929 0.34413 0.61082 ++ {0.0} {} 0.0 0.0893 0 {} 0 456 {T43.H} 8.75983 0.03138 0.03954 ++ {0.0} {} {Q46.HB3} 2.09108 0.07202 0.09464 ++ {0.0} {} {T43.N} 109.32153 0.35156 0.51892 ++ {0.0} {} 0.0 0.0384 0 {} 0 457 {T43.H} 8.76557 0.03118 0.06230 ++ {0.0} {} {Q46.HG2} 2.64959 0.07914 0.13670 ++ {0.0} {} {T43.N} 109.33300 0.32271 0.56868 ++ {0.0} {} 0.0 0.0845 0 {} 0 458 {T43.H} 8.77137 0.02153 0.04217 ++ {0.0} {} {T43.HA} 4.64622 0.07614 0.11358 ++ {0.0} {} {T43.N} 109.33518 0.29880 0.47557 ++ {0.0} {} 0.0 0.0492 0 {} 0 459 {T43.H} 8.77646 0.01337 0.01803 ++ {0.0} {} {T43.HB} 4.81469 0.05080 0.06492 ++ {0.0} {} {T43.N} 109.30515 0.43972 0.58786 ++ {0.0} {} 0.0 0.0303 0 {} 0 460 {} 8.76653 0.03185 0.04398 ++ {0.0} {} {} 8.00984 0.06440 0.09230 ++ {0.0} {} {} 109.29929 0.29237 0.44372 ++ {0.0} {} 0.0 0.0417 0 {} 0 461 {} 7.29693 0.03427 0.09470 ++ {0.0} {} {} 8.06745 0.06259 0.12667 ++ {0.0} {} {} 115.64568 0.30042 0.58845 ++ {0.0} {} 0.0 0.4874 0 {} 0 462 {} 7.29693 0.03427 0.09470 ++ {0.0} {} {} 8.06745 0.06259 0.12667 ++ {0.0} {} {} 115.64568 0.30042 0.58845 ++ {0.0} {} 0.0 0.4874 0 {} 0 463 {} 8.34249 0.03323 0.10177 ++ {0.0} {} {} 3.27193 0.12061 0.18758 ++ {0.0} {} {} 116.66299 0.29104 0.53120 ++ {0.0} {} 0.0 0.1149 0 {} 0 464 {} 8.34288 0.02999 0.05364 ++ {0.0} {} {} 4.47577 0.05695 0.09257 ++ {0.0} {} {} 116.67808 0.26997 0.42573 ++ {0.0} {} 0.0 0.0475 0 {} 0 465 {} 8.34249 0.03323 0.10559 ++ {0.0} {} {} 3.27193 0.12061 0.19350 ++ {0.0} {} {} 116.66299 0.29104 0.54952 ++ {0.0} {} 0.0 0.1149 0 {} 0 466 {} 8.34288 0.02999 0.05854 ++ {0.0} {} {} 4.47577 0.05695 0.10778 ++ {0.0} {} {} 116.67808 0.26997 0.46685 ++ {0.0} {} 0.0 0.0475 0 {} 0 467 {} 8.34438 0.02017 0.05544 ++ {0.0} {} {} 4.78826 0.05554 0.11558 ++ {0.0} {} {} 115.99969 0.25194 0.45353 ++ {0.0} {} 0.0 0.0804 0 {} 0 468 {} 8.33474 0.01401 0.01870 ++ {0.0} {} {} 7.91774 0.05359 0.07061 ++ {0.0} {} {} 116.65002 0.25561 0.37502 ++ {0.0} {} 0.0 0.0302 0 {} 0 469 {} 8.34438 0.02017 0.06573 ++ {0.0} {} {} 4.78826 0.05554 0.11654 ++ {0.0} {} {} 115.99969 0.25194 0.46360 ++ {0.0} {} 0.0 0.0804 0 {} 0 470 {56.H} 7.48740 0.02194 0.03135 ++ {0.0} {} {57.H} 7.35950 0.05013 0.06924 ++ {0.0} {} {56.N} 118.04055 0.34475 0.52598 ++ {0.0} {} 0.0 0.0424 0 {} 0 471 {} 5.79515 0.01484 0.03143 ++ {0.0} {} {} 4.79017 0.04343 0.08933 ++ {0.0} {} {} 119.67293 0.31254 0.59576 ++ {0.0} {} 0.0 0.2141 0 {} 0 472 {} 7.90161 0.03967 0.05302 ++ {0.0} {} {} 7.76330 0.04417 0.06081 ++ {0.0} {} {} 120.01480 0.30535 0.49730 ++ {0.0} {} 0.0 0.0541 0 {} 0 473 {} 9.15110 0.01210 0.01563 ++ {0.0} {} {} 1.35198 0.06712 0.07613 ++ {0.0} {} {} 120.58004 0.25121 0.29815 ++ {0.0} {} 0.0 0.0198 0 {} 0 474 {} 8.09003 0.02051 0.02929 ++ {0.0} {} {} 8.24504 0.05357 0.05824 ++ {0.0} {} {} 121.02814 0.28202 0.34019 ++ {0.0} {} 0.0 0.0203 0 {} 0 475 {} 9.05612 0.01421 0.03135 ++ {0.0} {} {} 6.96277 0.06938 0.09636 ++ {0.0} {} {} 121.35242 0.30349 0.46235 ++ {0.0} {} 0.0 0.0270 0 {} 0 476 {} 9.05383 0.01746 0.01923 ++ {0.0} {} {} 7.12538 0.06055 0.06578 ++ {0.0} {} {} 121.34730 0.29789 0.34012 ++ {0.0} {} 0.0 0.0187 0 {} 0 477 {} 9.05151 0.02053 0.02150 ++ {0.0} {} {} 7.75390 0.04195 0.04517 ++ {0.0} {} {} 121.32907 0.28892 0.31112 ++ {0.0} {} 0.0 0.0174 0 {} 0 478 {} 9.04766 0.00846 0.00794 ++ {0.0} {} {} 7.59404 0.05216 0.04914 ++ {0.0} {} {} 121.36033 0.26343 0.24718 ++ {0.0} {} 0.0 0.0151 0 {} 0 479 {} 9.05070 0.01188 0.01196 ++ {0.0} {} {} 4.06062 0.07947 0.07987 ++ {0.0} {} {} 121.39160 0.24641 0.24802 ++ {0.0} {} 0.0 0.0162 0 {} 0 480 {} 8.16824 0.02194 0.03135 ++ {0.0} {} {} 4.78460 0.02731 0.02722 ++ {0.0} {} {} 122.35912 0.32649 0.32550 ++ {0.0} {} 0.0 0.0160 0 {} 0 481 {} 8.17428 0.02194 0.03135 ++ {0.0} {} {} 4.50015 0.06910 0.09330 ++ {0.0} {} {} 121.68064 0.27739 0.40712 ++ {0.0} {} 0.0 0.0302 0 {} 0 482 {} 8.16402 0.03280 0.04997 ++ {0.0} {} {} 2.63459 0.07924 0.12504 ++ {0.0} {} {} 123.01058 0.30682 0.54387 ++ {0.0} {} 0.0 0.0707 0 {} 0 483 {} 8.16402 0.03280 0.05194 ++ {0.0} {} {} 2.63459 0.07924 0.12818 ++ {0.0} {} {} 123.01058 0.30682 0.55782 ++ {0.0} {} 0.0 0.0707 0 {} 0 484 {} 8.16402 0.03280 0.04997 ++ {0.0} {} {} 2.63459 0.07924 0.12504 ++ {0.0} {} {} 123.01058 0.30682 0.54387 ++ {0.0} {} 0.0 0.0707 0 {} 0 485 {} 8.20194 0.02637 0.03457 ++ {0.0} {} {} 3.42298 0.05504 0.08627 ++ {0.0} {} {} 123.36179 0.31317 0.45982 ++ {0.0} {} 0.0 0.0302 0 {} 0 486 {} 8.16871 0.02850 0.04170 ++ {0.0} {} {} 3.83173 0.06156 0.13642 ++ {0.0} {} {} 123.05968 0.23554 0.38965 ++ {0.0} {} 0.0 0.0465 0 {} 0 487 {} 8.16631 0.02214 0.04856 ++ {0.0} {} {} 8.31884 0.05658 0.08033 ++ {0.0} {} {} 123.01077 0.32057 0.58922 ++ {0.0} {} 0.0 0.0993 0 {} 0 488 {} 8.16371 0.01046 0.01645 ++ {0.0} {} {} 7.50807 0.06307 0.08471 ++ {0.0} {} {} 123.04397 0.23085 0.33215 ++ {0.0} {} 0.0 0.0229 0 {} 0 489 {} 8.15423 0.02035 0.02416 ++ {0.0} {} {} 6.83259 0.06023 0.08024 ++ {0.0} {} {} 122.99451 0.29341 0.43234 ++ {0.0} {} 0.0 0.0244 0 {} 0 490 {} 8.15365 0.00896 0.01447 ++ {0.0} {} {} 2.15436 0.07939 0.13269 ++ {0.0} {} {} 122.99087 0.25488 0.38763 ++ {0.0} {} 0.0 0.0268 0 {} 0 491 {} 8.16386 0.03589 0.07499 ++ {0.0} {} {} 1.97565 0.07002 0.12698 ++ {0.0} {} {} 122.33414 0.27908 0.52151 ++ {0.0} {} 0.0 0.0979 0 {} 0 492 {} 8.16386 0.03589 0.07499 ++ {0.0} {} {} 1.97565 0.07002 0.12698 ++ {0.0} {} {} 122.33414 0.27908 0.52151 ++ {0.0} {} 0.0 0.0979 0 {} 0 493 {} 8.16386 0.03589 0.07499 ++ {0.0} {} {} 1.97565 0.07002 0.12698 ++ {0.0} {} {} 122.33414 0.27908 0.52151 ++ {0.0} {} 0.0 0.0979 0 {} 0 494 {} 8.16372 0.03125 0.04074 ++ {0.0} {} {} 1.36186 0.05154 0.07456 ++ {0.0} {} {} 122.32803 0.21529 0.30639 ++ {0.0} {} 0.0 0.0223 0 {} 0 495 {62.H} 7.79284 0.02016 0.03402 ++ {0.0} {} {61.H} 8.24673 0.06388 0.09355 ++ {0.0} {} {62.N} 128.33820 0.29695 0.49725 ++ {0.0} {} 0.0 0.0494 0 {} 0 496 {} 9.93343 0.01653 0.02384 ++ {0.0} {} {} 7.07510 0.05823 0.08676 ++ {0.0} {} {} 128.74022 0.22694 0.34568 ++ {0.0} {} 0.0 0.0337 0 {} 0 497 {} 9.91744 0.01921 0.02328 ++ {0.0} {} {} 7.33391 0.05002 0.06269 ++ {0.0} {} {} 128.71382 0.27050 0.35946 ++ {0.0} {} 0.0 0.0240 0 {} 0 498 {} 8.35631 0.01317 0.01881 ++ {0.0} {} {} 7.78640 0.05752 0.07673 ++ {0.0} {} {} 124.33101 0.25332 0.35235 ++ {0.0} {} 0.0 0.0211 0 {} 0 499 {} 7.77580 0.01088 0.01451 ++ {0.0} {} {} 9.06798 0.09061 0.10281 ++ {0.0} {} {} 120.36095 0.24824 0.29682 ++ {0.0} {} 0.0 0.0160 0 {} 0 500 {} 8.49756 0.01222 0.01961 ++ {0.0} {} {} 0.25566 0.05960 0.07622 ++ {0.0} {} {} 119.30717 0.29641 0.42020 ++ {0.0} {} 0.0 0.0221 0 {} 0 501 {} 7.72865 0.00994 0.03548 ++ {0.0} {} {} 8.48555 0.06208 0.10254 ++ {0.0} {} {} 119.22866 0.34923 0.60813 ++ {0.0} {} 0.0 0.0497 0 {} 0 502 {} 7.72991 0.01075 0.03501 ++ {0.0} {} {} 4.16688 0.05502 0.07553 ++ {0.0} {} {} 119.17452 0.29781 0.44961 ++ {0.0} {} 0.0 0.0262 0 {} 0 503 {} 7.73066 0.02473 0.02637 ++ {0.0} {} {} 0.92243 0.05928 0.06459 ++ {0.0} {} {} 118.96346 0.29240 0.32677 ++ {0.0} {} 0.0 0.0146 0 {} 0 504 {} 7.97391 0.04614 0.10571 ++ {0.0} {} {} 2.15062 0.08625 0.19775 ++ {0.0} {} {} 117.65919 0.29949 0.55057 ++ {0.0} {} 0.0 0.0796 -1 {} 0 505 {} 7.79980 0.04614 0.10571 ++ {0.0} {} {} 2.00767 0.08625 0.19775 ++ {0.0} {} {} 117.65919 0.29949 0.55057 ++ {0.0} {} 0.0 0.0796 -1 {} 0 506 {} 7.99798 0.02194 0.03135 ++ {0.0} {} {} 2.06140 0.07008 0.09957 ++ {0.0} {} {} 118.28866 0.31485 0.50552 ++ {0.0} {} 0.0 0.0326 0 {} 0 507 {53.H} 8.33091 0.01171 0.02060 ++ {0.0} {} {49.HG21} 1.03329 0.05234 0.06966 ++ {0.0} {} {53.N} 117.97932 0.35474 0.47776 ++ {0.0} {} 0.0 0.0197 0 {} 0 508 {} 7.99691 0.01709 0.02540 ++ {0.0} {} {} 5.56222 0.05531 0.07265 ++ {0.0} {} {} 117.31953 0.34374 0.48923 ++ {0.0} {} 0.0 0.0223 0 {} 0 509 {} 7.99629 0.02194 0.03135 ++ {0.0} {} {} 0.86904 0.04978 0.08542 ++ {0.0} {} {} 118.26967 0.35908 0.60979 ++ {0.0} {} 0.0 0.0426 0 {} 0 510 {} 7.99629 0.02194 0.03135 ++ {0.0} {} {} 0.86904 0.04978 0.08542 ++ {0.0} {} {} 118.26967 0.35908 0.60979 ++ {0.0} {} 0.0 0.0426 0 {} 0 511 {} 8.34438 0.02017 0.06573 ++ {0.0} {} {} 4.78826 0.05554 0.11654 ++ {0.0} {} {} 115.99969 0.25194 0.46360 ++ {0.0} {} 0.0 0.0804 0 {} 0 512 {} 8.34990 0.01401 0.01978 ++ {0.0} {} {} 4.78633 0.05359 0.07449 ++ {0.0} {} {} 116.65002 0.25561 0.40226 ++ {0.0} {} 0.0 0.0302 0 {} 0 513 {} 8.34249 0.03323 0.10559 ++ {0.0} {} {} 3.27193 0.12061 0.19350 ++ {0.0} {} {} 116.66299 0.29104 0.54952 ++ {0.0} {} 0.0 0.1149 0 {} 0 514 {} 8.34249 0.03323 0.10559 ++ {0.0} {} {} 3.27193 0.12061 0.19350 ++ {0.0} {} {} 116.66299 0.29104 0.54952 ++ {0.0} {} 0.0 0.1149 0 {} 0 515 {} 8.34613 0.02714 0.03363 ++ {0.0} {} {} 0.85454 0.09437 0.12607 ++ {0.0} {} {} 116.02670 0.28533 0.41942 ++ {0.0} {} 0.0 0.0243 0 {} 0 516 {} 8.34288 0.02999 0.05854 ++ {0.0} {} {} 4.47577 0.05695 0.10778 ++ {0.0} {} {} 116.67808 0.26997 0.46685 ++ {0.0} {} 0.0 0.0475 0 {} 0 517 {} 8.34288 0.02999 0.05854 ++ {0.0} {} {} 4.47577 0.05695 0.10778 ++ {0.0} {} {} 116.67808 0.26997 0.46685 ++ {0.0} {} 0.0 0.0475 0 {} 0 518 {} 8.35160 0.01815 0.02051 ++ {0.0} {} {} 8.86693 0.06417 0.06919 ++ {0.0} {} {} 115.96206 0.28889 0.32340 ++ {0.0} {} 0.0 0.0228 0 {} 0 519 {} 7.76468 0.01930 0.02139 ++ {0.0} {} {} 4.90918 0.06399 0.07835 ++ {0.0} {} {} 115.92749 0.29351 0.34931 ++ {0.0} {} 0.0 0.0159 0 {} 0 520 {} 7.76885 0.01344 0.01381 ++ {0.0} {} {} 6.81400 0.06414 0.06619 ++ {0.0} {} {} 116.02343 0.28980 0.30106 ++ {0.0} {} 0.0 0.0209 0 {} 0 521 {} 7.76907 0.01953 0.01897 ++ {0.0} {} {} 8.21323 0.08948 0.08686 ++ {0.0} {} {} 116.00175 0.25142 0.23980 ++ {0.0} {} 0.0 0.0192 0 {} 0 522 {} 8.07366 0.01822 0.02733 ++ {0.0} {} {} 8.34011 0.04116 0.06214 ++ {0.0} {} {} 115.67662 0.32077 0.47732 ++ {0.0} {} 0.0 0.0251 0 {} 0 523 {} 7.29638 0.02166 0.02365 ++ {0.0} {} {} 8.34027 0.07621 0.08517 ++ {0.0} {} {} 115.60501 0.23281 0.27962 ++ {0.0} {} 0.0 0.0161 0 {} 0 524 {} 8.07165 0.01104 0.01405 ++ {0.0} {} {} 8.47893 0.05519 0.07012 ++ {0.0} {} {} 115.67969 0.20690 0.26531 ++ {0.0} {} 0.0 0.0179 0 {} 0 525 {} 7.29693 0.03427 0.09885 ++ {0.0} {} {} 8.06745 0.06259 0.12839 ++ {0.0} {} {} 115.64568 0.30042 0.59290 ++ {0.0} {} 0.0 0.4874 0 {} 0 526 {} 7.29693 0.03427 0.09885 ++ {0.0} {} {} 8.06745 0.06259 0.12839 ++ {0.0} {} {} 115.64568 0.30042 0.59290 ++ {0.0} {} 0.0 0.4874 0 {} 0 527 {} 7.29693 0.03427 0.09885 ++ {0.0} {} {} 8.06745 0.06259 0.12839 ++ {0.0} {} {} 115.64568 0.30042 0.59290 ++ {0.0} {} 0.0 0.4874 0 {} 0 528 {} 7.30860 0.01746 0.03564 ++ {0.0} {} {} 8.07758 0.07119 0.10072 ++ {0.0} {} {} 115.06094 0.34392 0.52876 ++ {0.0} {} 0.0 0.0278 0 {} 0 529 {} 9.19940 0.01628 0.01817 ++ {0.0} {} {} 5.92881 0.06232 0.07199 ++ {0.0} {} {} 114.65573 0.40008 0.47383 ++ {0.0} {} 0.0 0.0197 0 {} 0 530 {} 9.20496 0.01388 0.01610 ++ {0.0} {} {} 8.19102 0.05172 0.05775 ++ {0.0} {} {} 114.60962 0.40998 0.46229 ++ {0.0} {} 0.0 0.0184 0 {} 0 531 {} 9.20526 0.01290 0.01500 ++ {0.0} {} {} 8.55985 0.06243 0.06965 ++ {0.0} {} {} 114.65935 0.21871 0.25537 ++ {0.0} {} 0.0 0.0193 0 {} 0 532 {} 9.19374 0.01202 0.01214 ++ {0.0} {} {} 6.75794 0.07887 0.07967 ++ {0.0} {} {} 114.62105 0.21221 0.21440 ++ {0.0} {} 0.0 0.0162 0 {} 0 533 {} 9.18968 0.01265 0.01201 ++ {0.0} {} {} 3.56906 0.08571 0.08271 ++ {0.0} {} {} 114.65099 0.34984 0.33222 ++ {0.0} {} 0.0 0.0153 0 {} 0 534 {} 9.18845 0.01566 0.01696 ++ {0.0} {} {} 2.44918 0.07752 0.08505 ++ {0.0} {} {} 114.61284 0.42766 0.48823 ++ {0.0} {} 0.0 0.0187 0 {} 0 535 {} 7.92222 0.01519 0.01693 ++ {0.0} {} {} 2.34695 0.04986 0.05393 ++ {0.0} {} {} 114.29190 0.22670 0.25519 ++ {0.0} {} 0.0 0.0184 0 {} 0 536 {} 7.92494 0.01801 0.02074 ++ {0.0} {} {} 8.34125 0.05401 0.06091 ++ {0.0} {} {} 114.34222 0.22034 0.24882 ++ {0.0} {} 0.0 0.0185 0 {} 0 537 {} 8.02669 0.02622 0.03131 ++ {0.0} {} {} 8.67208 0.05327 0.05951 ++ {0.0} {} {} 114.30915 0.31462 0.36793 ++ {0.0} {} 0.0 0.0194 0 {} 0 538 {} 7.55360 0.02099 0.03734 ++ {0.0} {} {} 4.79044 0.04574 0.09240 ++ {0.0} {} {} 111.28259 0.30628 0.58056 ++ {0.0} {} 0.0 0.1539 -1 {} 0 539 {} 8.76652 0.01459 0.01736 ++ {0.0} {} {} 8.28000 0.06023 0.06732 ++ {0.0} {} {} 109.33516 0.34355 0.41940 ++ {0.0} {} 0.0 0.0132 0 {} 0 540 {} 8.77637 0.01596 0.01959 ++ {0.0} {} {} 4.07713 0.04282 0.04824 ++ {0.0} {} {} 109.26210 0.22594 0.25455 ++ {0.0} {} 0.0 0.0184 0 {} 0 541 {} 8.37163 0.01789 0.01926 ++ {0.0} {} {} 1.60258 0.07642 0.08730 ++ {0.0} {} {} 124.33076 0.30865 0.33643 ++ {0.0} {} 0.0 0.0345 0 {} 0 542 {} 8.87613 0.03358 0.03756 ++ {0.0} {} {} 4.43741 0.05537 0.06377 ++ {0.0} {} {} 122.68592 0.32725 0.39083 ++ {0.0} {} 0.0 0.0312 0 {} 0 543 {} 8.86044 0.02102 0.02486 ++ {0.0} {} {} 1.90103 0.07570 0.08657 ++ {0.0} {} {} 122.69069 0.28930 0.34839 ++ {0.0} {} 0.0 0.0316 0 {} 0 544 {Q52.HE21} 7.55062 0.02063 0.04673 ++ {0.0} {} {Q52.HE22} 6.92579 0.06178 0.12411 ++ {0.0} {} {Q52.NE2} 111.28561 0.31583 0.61770 ++ {0.0} {} 0.0 0.5687 0 {} 0 545 {} 8.01958 0.01771 0.01902 ++ {0.0} {} {} 0.74254 0.08266 0.08958 ++ {0.0} {} {} 117.35297 0.28953 0.32250 ++ {0.0} {} 0.0 0.0227 0 {} 0 546 {} 7.99827 0.02194 0.03135 ++ {0.0} {} {} 0.93472 0.04978 0.07676 ++ {0.0} {} {} 117.35000 0.35908 0.54888 ++ {0.0} {} 0.0 0.0426 0 {} 0 547 {} 8.00861 0.02529 0.03169 ++ {0.0} {} {} 1.35842 0.05370 0.06626 ++ {0.0} {} {} 117.36713 0.28523 0.38499 ++ {0.0} {} 0.0 0.0309 -1 {} 0 548 {} 7.99339 0.03072 0.04389 ++ {0.0} {} {} 1.82834 0.07988 0.12974 ++ {0.0} {} {} 117.35000 0.34726 0.62544 ++ {0.0} {} 0.0 0.1010 0 {} 0 549 {} 7.99582 0.02947 0.05296 ++ {0.0} {} {} 2.11122 0.05290 0.09240 ++ {0.0} {} {} 117.35000 0.20075 0.33611 ++ {0.0} {} 0.0 0.0796 0 {} 0 550 {} 7.99579 0.03072 0.04389 ++ {0.0} {} {} 1.97282 0.07988 0.11629 ++ {0.0} {} {} 117.35000 0.34726 0.55959 ++ {0.0} {} 0.0 0.0800 0 {} 0 551 {} 7.99791 0.01270 0.02347 ++ {0.0} {} {} 1.70220 0.07889 0.06860 ++ {0.0} {} {} 117.31469 0.26608 0.22536 ++ {0.0} {} 0.0 0.0340 0 {} 0 552 {} 7.99184 0.01970 0.02576 ++ {0.0} {} {} 8.38067 0.06699 0.08057 ++ {0.0} {} {} 117.32007 0.29035 0.36998 ++ {0.0} {} 0.0 0.0346 0 {} 0 553 {} 7.99359 0.01970 0.02576 ++ {0.0} {} {} 8.74844 0.06699 0.08057 ++ {0.0} {} {} 117.32007 0.29035 0.36998 ++ {0.0} {} 0.0 0.0346 0 {} 0 554 {Q46.H} 7.99949 0.02253 0.03072 ++ {0.0} {} {Q46.HA} 4.11643 0.06242 0.08394 ++ {0.0} {} {Q46.N} 117.33707 0.34140 0.51647 ++ {0.0} {} 0.0 0.0644 0 {} 0 555 {} 8.00861 0.02529 0.02500 ++ {0.0} {} {} 1.35842 0.05370 0.05313 ++ {0.0} {} {} 117.36713 0.28523 0.28065 ++ {0.0} {} 0.0 0.0309 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 HN . 'not observed' 6300 Hz . . . 4.777 . . 31057 11 2 . . H 1 H . 'not observed' 7000 Hz . . . 4.777 . . 31057 11 3 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 11 stop_ save_ save_spectral_peak_list_12 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_12 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 12 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N 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 ; label dataset sw sf HN N15 AbdA_nhsqc.nv 2580.9921875 1300.0 599.664978027 60.7700004578 HN.L HN.P HN.W HN.B HN.E HN.J HN.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 0 {62.H} 7.79162 0.03235 0.05682 ++ {0.0} {i.h} {62.N} 128.25432 0.18019 0.33768 ++ {0.0} {i.n} 0.0 0.1247 1 {} 0 1 {37.H} 8.36813 0.02853 0.05767 ++ {0.0} {i.h} {37.N} 124.28671 0.16718 0.34934 ++ {0.0} {i.n} 0.0 0.1465 1 {} 0 2 {18.H} 8.19234 0.02991 0.05312 ++ {0.0} {i.h} {18.N} 123.47731 0.16392 0.32931 ++ {0.0} {i.n} 0.0 0.1019 1 {} 0 3 {54.H} 8.16153 0.02977 0.05412 ++ {0.0} {i.h} {54.N} 123.06691 0.19887 0.35878 ++ {0.0} {i.n} 0.0 0.1121 1 {} 0 4 {30.H} 8.86416 0.03452 0.04649 ++ {0.0} {i.h} {30.N} 122.73341 0.19609 0.28594 ++ {0.0} {i.n} 0.0 0.0527 1 {} 0 5 {8.H} 8.56228 0.04271 0.03550 ++ {0.0} {i.h} {8.N} 122.54984 0.24119 0.17987 ++ {0.0} {i.n} 0.0 0.0276 1 {} 0 6 {50.H} 8.16099 0.03012 0.05458 ++ {0.0} {i.h} {50.N} 122.27404 0.24377 0.40036 ++ {0.0} {i.n} 0.0 0.1124 1 {} 0 7 {61.H} 8.24506 0.03134 0.06084 ++ {0.0} {i.h} {61.N} 121.97527 0.14872 0.33954 ++ {0.0} {i.n} 0.0 0.1780 1 {} 0 8 {28.H} 8.41696 0.03595 0.06130 ++ {0.0} {i.h} {28.N} 121.76888 0.22312 0.36506 ++ {0.0} {i.n} 0.0 0.0988 1 {} 0 9 {39.H} 8.18284 0.02761 0.05546 ++ {0.0} {i.h} {39.N} 121.63967 0.19285 0.36643 ++ {0.0} {i.n} 0.0 0.1363 1 {} 0 10 {48.H} 8.56042 0.02945 0.05841 ++ {0.0} {i.h} {48.N} 121.55481 0.15574 0.33114 ++ {0.0} {i.n} 0.0 0.1297 1 {} 0 11 {22.H} 9.05502 0.02872 0.04921 ++ {0.0} {i.h} {22.N} 121.31659 0.17276 0.33444 ++ {0.0} {i.n} 0.0 0.0913 1 {} 0 12 {16.H} 8.23091 0.02510 0.05503 ++ {0.0} {i.h} {16.N} 121.06403 0.17396 0.35040 ++ {0.0} {i.n} 0.0 0.1319 1 {} 0 13 {60.H} 8.09059 0.02997 0.06485 ++ {0.0} {i.h} {60.N} 121.00884 0.21990 0.40967 ++ {0.0} {i.n} 0.0 0.1444 1 {} 0 14 {7.H} 8.30814 0.03254 0.01760 ++ {0.0} {i.h} {7.N} 120.80732 0.17846 0.08566 ++ {0.0} {i.n} 0.0 0.0223 1 {} 0 15 {36.H} 8.66944 0.02861 0.06392 ++ {0.0} {i.h} {36.N} 120.75450 0.20879 0.35899 ++ {0.0} {i.n} 0.0 0.1404 1 {} 0 16 {10.H} 8.17045 0.03404 0.06492 ++ {0.0} {i.h} {10.N} 120.79552 0.19712 0.34606 ++ {0.0} {i.n} 0.0 0.1117 1 {} 0 17 {47.H} 8.02831 0.02976 0.06287 ++ {0.0} {i.h} {47.N} 120.54713 0.15119 0.32848 ++ {0.0} {i.n} 0.0 0.1144 1 {} 0 18 {44.H} 9.14545 0.02908 0.05695 ++ {0.0} {i.h} {44.N} 120.51501 0.21317 0.36060 ++ {0.0} {i.n} 0.0 0.1040 1 {} 0 19 {20.H} 7.77990 0.02960 0.09372 ++ {0.0} {i.h} {20.N} 120.37699 0.15025 0.36185 ++ {0.0} {i.n} 0.0 0.2435 1 {} 0 20 {42.H} 8.27685 0.03413 0.05941 ++ {0.0} {i.h} {42.N} 120.02758 0.16655 0.32631 ++ {0.0} {i.n} 0.0 0.1064 1 {} 0 21 {59.H} 7.88379 0.03600 0.07864 ++ {0.0} {i.h} {59.N} 119.77607 0.28522 0.50263 ++ {0.0} {i.n} 0.0 0.1614 1 {} 0 22 {58.H} 7.48986 0.03591 0.07472 ++ {0.0} {i.h} {58.N} 119.76643 0.18838 0.35019 ++ {0.0} {i.n} 0.0 0.1427 1 {} 0 23 {26.H} 8.64506 0.03555 0.05079 ++ {0.0} {i.h} {26.N} 119.49758 0.24481 0.31163 ++ {0.0} {i.n} 0.0 0.0521 1 {} 0 24 {49.H} 8.59516 0.03701 0.08184 ++ {0.0} {i.h} {49.N} 119.50896 0.22095 0.37391 ++ {0.0} {i.n} 0.0 0.1175 1 {} 0 25 {33.H} 8.47893 0.03786 0.06871 ++ {0.0} {i.h} {33.N} 119.40549 0.20197 0.36300 ++ {0.0} {i.n} 0.0 0.1209 1 {} 0 26 {51.H} 9.00840 0.04032 0.06131 ++ {0.0} {i.h} {51.N} 119.15881 0.20827 0.31687 ++ {0.0} {i.n} 0.0 0.0796 1 {} 0 27 {32.H} 7.70725 0.03858 0.06644 ++ {0.0} {i.h} {32.N} 119.18255 0.22383 0.44260 ++ {0.0} {i.n} 0.0 0.1140 1 {} 0 28 {19.H} 8.18851 0.04283 0.07464 ++ {0.0} {i.h} {19.N} 119.06509 0.26088 0.45471 ++ {0.0} {i.n} 0.0 0.0979 1 {} 0 29 {52.H} 8.22239 0.04579 0.07324 ++ {0.0} {i.h} {52.N} 119.00233 0.21771 0.38020 ++ {0.0} {i.n} 0.0 0.1246 1 {} 0 30 {17.H} 7.73698 0.03979 0.06572 ++ {0.0} {i.h} {17.N} 118.89498 0.22729 0.44412 ++ {0.0} {i.n} 0.0 0.1052 1 {} 0 31 {45.H} 8.34505 0.03773 0.06522 ++ {0.0} {i.h} {45.N} 118.74421 0.21228 0.35406 ++ {0.0} {i.n} 0.0 0.1183 1 {} 0 32 {57.H} 7.36133 0.03806 0.06788 ++ {0.0} {i.h} {57.N} 118.35060 0.18412 0.35207 ++ {0.0} {i.n} 0.0 0.1217 1 {} 0 33 {34.H} 7.97630 0.03638 0.06375 ++ {0.0} {i.h} {34.N} 118.17872 0.21787 0.34299 ++ {0.0} {i.n} 0.0 0.1115 1 {} 0 34 {13.H} 8.42196 0.03623 0.06295 ++ {0.0} {i.h} {13.N} 118.09798 0.19632 0.34948 ++ {0.0} {i.n} 0.0 0.1136 1 {} 0 35 {53.H} 8.31874 0.03010 0.06451 ++ {0.0} {i.h} {53.N} 118.07337 0.18878 0.33170 ++ {0.0} {i.n} 0.0 0.1292 1 {} 0 36 {56.H} 7.49057 0.03513 0.06718 ++ {0.0} {i.h} {56.N} 118.10388 0.16796 0.34234 ++ {0.0} {i.n} 0.0 0.1287 1 {} 0 37 {55.H} 7.96858 0.03185 0.06026 ++ {0.0} {i.h} {55.N} 117.69173 0.27441 0.45573 ++ {0.0} {i.n} 0.0 0.0915 1 {} 0 38 {24.H} 7.62652 0.03211 0.05763 ++ {0.0} {i.h} {24.N} 117.46096 0.15127 0.31866 ++ {0.0} {i.n} 0.0 0.1059 1 {} 0 39 {9.H} 8.18279 0.04115 0.01727 ++ {0.0} {i.h} {9.N} 117.37994 0.26401 0.07068 ++ {0.0} {i.n} 0.0 0.0195 1 {} 0 40 {41.H} 8.00666 0.04342 0.09952 ++ {0.0} {i.h} {41.N} 117.40691 0.22627 0.47003 ++ {0.0} {i.n} 0.0 0.1801 1 {} 0 41 {25.H} 8.34041 0.02801 0.05316 ++ {0.0} {i.h} {25.N} 116.70712 0.14305 0.29479 ++ {0.0} {i.n} 0.0 0.1243 1 {} 0 42 {14.H} 7.76550 0.02999 0.05561 ++ {0.0} {i.h} {14.N} 116.04880 0.16646 0.34077 ++ {0.0} {i.n} 0.0 0.1143 1 {} 0 43 {31.H} 8.33438 0.02535 0.05577 ++ {0.0} {i.h} {31.N} 115.99657 0.21502 0.39847 ++ {0.0} {i.n} 0.0 0.1705 1 {} 0 44 {25.HD21} 8.06531 0.02494 0.04152 ++ {0.0} {i.h} {25.ND2} 115.60969 0.16006 0.30974 ++ {0.0} {i.n} 0.0 0.0919 1 {} 0 45 {25.HD22} 7.29081 0.02983 0.04605 ++ {0.0} {i.h} {25.ND2} 115.60919 0.15670 0.29298 ++ {0.0} {i.n} 0.0 0.0792 1 {} 0 46 {27.H} 7.99083 0.03545 0.05767 ++ {0.0} {i.h} {27.N} 114.89124 0.18870 0.34654 ++ {0.0} {i.n} 0.0 0.1139 1 {} 0 47 {11.H} 9.19453 0.03051 0.05975 ++ {0.0} {i.h} {11.N} 114.50542 0.17348 0.34004 ++ {0.0} {i.n} 0.0 0.1192 1 {} 0 48 {23.H} 7.93176 0.02838 0.05486 ++ {0.0} {i.h} {23.N} 114.34348 0.18281 0.35984 ++ {0.0} {i.n} 0.0 0.1246 1 {} 0 49 {38.H} 8.02331 0.02802 0.05619 ++ {0.0} {i.h} {38.N} 114.23927 0.20248 0.36812 ++ {0.0} {i.n} 0.0 0.1539 1 {} 0 50 {15.H} 8.53203 0.02888 0.05371 ++ {0.0} {i.h} {15.N} 113.54284 0.17065 0.35000 ++ {0.0} {i.n} 0.0 0.1261 1 {} 0 51 {40.H} 8.40022 0.03065 0.06040 ++ {0.0} {i.h} {40.N} 113.06614 0.21035 0.34614 ++ {0.0} {i.n} 0.0 0.1226 1 {} 0 52 {8.HE21} 7.52848 0.01821 0.03983 ++ {0.0} {i.h} {8.NE2} 112.90073 0.19463 0.33584 ++ {0.0} {i.n} 0.0 0.1794 1 {} 0 53 {8.HE22} 6.85963 0.02584 0.04694 ++ {0.0} {i.h} {8.NE2} 112.90222 0.20251 0.35647 ++ {0.0} {i.n} 0.0 0.1656 1 {} 0 54 {53.HD21} 7.42314 0.02450 0.04459 ++ {0.0} {i.h} {53.ND2} 112.30489 0.23560 0.36321 ++ {0.0} {i.n} 0.0 0.1046 1 {} 0 55 {53.HD22} 6.88067 0.03399 0.06040 ++ {0.0} {i.h} {53.ND2} 112.30828 0.24889 0.37634 ++ {0.0} {i.n} 0.0 0.0966 1 {} 0 56 {29.H} 7.64380 0.03154 0.06495 ++ {0.0} {i.h} {29.N} 111.81976 0.20147 0.35069 ++ {0.0} {i.n} 0.0 0.1448 1 {} 0 57 {52.HE21} 7.54857 0.01879 0.04022 ++ {0.0} {i.h} {52.NE2} 111.21228 0.16932 0.34447 ++ {0.0} {i.n} 0.0 0.1554 1 {} 0 58 {52.HE22} 6.92733 0.02561 0.04706 ++ {0.0} {i.h} {52.NE2} 111.21542 0.17259 0.32817 ++ {0.0} {i.n} 0.0 0.1307 1 {} 0 59 {14.HE21} 7.71854 0.02835 0.03542 ++ {0.0} {i.h} {14.NE2} 111.03534 0.18205 0.24412 ++ {0.0} {i.n} 0.0 0.0458 1 {} 0 60 {14.HE22} 6.82133 0.03623 0.04400 ++ {0.0} {i.h} {14.NE2} 111.03982 0.22319 0.28098 ++ {0.0} {i.n} 0.0 0.0458 1 {} 0 61 {43.H} 8.76500 0.03525 0.06626 ++ {0.0} {i.h} {43.N} 109.41010 0.17284 0.33622 ++ {0.0} {i.n} 0.0 0.1145 1 {} 0 62 {50.HE1} 9.91593 0.03235 0.05682 ++ {0.0} {i.h} {50.NE1} 128.78792 0.18019 0.33768 ++ {0.0} {i.n} 0.0 0.1247 1 {} 0 63 {6.H} 8.47659 0.03679 0.05633 ++ {0.0} {i.h} {6.N} 110.49461 0.31127 0.47835 ++ {0.0} {i.n} 0.0 0.0138 1 {} 0 64 {12.H} 9.10024 0.04300 0.05487 ++ {0.0} {i.h} {12.N} 123.28230 0.28590 0.38244 ++ {0.0} {i.n} 0.0 0.0116 1 {} 0 65 {5.H} 8.50272 0.03640 0.04204 ++ {0.0} {i.h} {5.N} 123.62389 0.25717 0.42423 ++ {0.0} {i.n} 0.0 0.0096 1 {} 0 66 {35.H} 7.78036 0.02960 0.08557 ++ {0.0} {i.h} {35.N} 120.37893 0.15025 0.35213 ++ {0.0} {i.n} 0.0 0.2435 1 {} 0 67 {21.H} 7.89636 0.03600 0.07148 ++ {0.0} {i.h} {21.N} 119.90058 0.28522 0.48455 ++ {0.0} {i.n} 0.0 0.1614 1 {} 0 68 {46.HE21} 7.43008 0.02450 0.04873 ++ {0.0} {i.h} {46.NE2} 112.06453 0.23560 0.39365 ++ {0.0} {i.n} 0.0 0.1046 1 {} 0 69 {46.HE22} 6.88761 0.03399 0.06542 ++ {0.0} {i.h} {46.NE2} 112.07408 0.24889 0.43365 ++ {0.0} {i.n} 0.0 0.0966 1 {} 0 70 {4.H} 8.61370 0.03125 0.02435 ++ {0.0} {i.h} {4.N} 123.76622 0.27068 0.21770 ++ {0.0} {i.n} 0.0 0.0069 0 {} 0 71 {46.H} 7.99356 0.04342 0.10719 ++ {0.0} {i.h} {46.N} 117.37428 0.22627 0.50855 ++ {0.0} {i.n} 0.0 0.1801 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 HN . 'not observed' 6300 Hz . . . 4.776 . . 31057 12 2 . . N 15 N . 'not observed' 1300 Hz . . . 119.001 . . 31057 12 stop_ save_ save_spectral_peak_list_13 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_13 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 13 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 13 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf 1H H1 C13 AbdA_cnoesy-aro.nv 1743.09875488 7000.35009766 4499.94384766 599.664978027 599.664978027 150.791000366 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U H1.L H1.P H1.W H1.B H1.E H1.J H1.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 0 {} 8.21978 0.02439 0.03309 ++ {0.0} {} {} 0.85561 0.07762 0.09025 ++ {0.0} {} {} 137.47736 0.35229 0.43553 ++ {0.0} {} 0.0 0.0223 0 {} 0 1 {} 8.22155 0.02072 0.01813 ++ {0.0} {} {} 3.84741 0.06064 0.04823 ++ {0.0} {} {} 137.54988 0.32788 0.25535 ++ {0.0} {} 0.0 0.0111 0 {} 0 2 {} 8.22288 0.02193 0.02609 ++ {0.0} {} {} 8.40855 0.05078 0.07255 ++ {0.0} {} {} 137.53592 0.43632 0.52972 ++ {0.0} {} 0.0 0.0173 0 {} 0 3 {} 8.15326 0.01958 0.01893 ++ {0.0} {} {} 8.33383 0.06914 0.06662 ++ {0.0} {} {} 137.49162 0.36730 0.35111 ++ {0.0} {} 0.0 0.0130 0 {} 0 4 {} 8.22029 0.03131 0.02287 ++ {0.0} {} {} 7.80765 0.10550 0.08063 ++ {0.0} {} {} 137.48953 0.38056 0.26837 ++ {0.0} {} 0.0 0.0105 0 {} 0 5 {} 8.21978 0.02439 0.03563 ++ {0.0} {} {} 0.85561 0.07762 0.10041 ++ {0.0} {} {} 137.47736 0.35229 0.48934 ++ {0.0} {} 0.0 0.0223 0 {} 0 6 {} 8.18386 0.02321 0.02343 ++ {0.0} {} {} 0.89933 0.10258 0.10357 ++ {0.0} {} {} 136.18040 0.46964 0.47757 ++ {0.0} {} 0.0 0.0138 0 {} 0 7 {} 7.20413 0.03262 0.06901 ++ {0.0} {} {} 2.72433 0.09112 0.16348 ++ {0.0} {} {} 133.65033 0.56108 0.93186 ++ {0.0} {} 0.0 0.0401 0 {} 0 8 {} 7.20421 0.03581 0.06669 ++ {0.0} {} {} 2.97487 0.09421 0.18756 ++ {0.0} {} {} 133.69197 0.54628 0.94831 ++ {0.0} {} 0.0 0.0515 0 {} 0 9 {} 7.20453 0.02790 0.03438 ++ {0.0} {} {} 4.76734 0.08492 0.10152 ++ {0.0} {} {} 133.73254 0.40582 0.50367 ++ {0.0} {} 0.0 0.0179 0 {} 0 10 {} 7.20558 0.02019 0.01521 ++ {0.0} {} {} 4.55398 0.08362 0.05802 ++ {0.0} {} {} 133.80019 0.28664 0.18520 ++ {0.0} {} 0.0 0.0100 0 {} 0 11 {} 7.05080 0.03485 0.10774 ++ {0.0} {} {} 6.74821 0.08541 0.36937 ++ {0.0} {} {} 133.38188 0.68858 1.68635 ++ {0.0} {} 0.0 0.2519 0 {} 0 12 {} 7.05080 0.03485 0.10774 ++ {0.0} {} {} 6.74821 0.08541 0.36937 ++ {0.0} {} {} 133.38188 0.68858 1.68635 ++ {0.0} {} 0.0 0.2519 0 {} 0 13 {} 7.05686 0.02632 0.03182 ++ {0.0} {} {} -0.60192 0.06602 0.07696 ++ {0.0} {} {} 133.34232 0.58499 0.73094 ++ {0.0} {} 0.0 0.0181 0 {} 0 14 {} 7.05314 0.03256 0.04172 ++ {0.0} {} {} 0.69995 0.08733 0.11068 ++ {0.0} {} {} 133.34921 0.63345 0.84597 ++ {0.0} {} 0.0 0.0205 0 {} 0 15 {} 7.05057 0.02260 0.03312 ++ {0.0} {} {} 0.91941 0.08325 0.12113 ++ {0.0} {} {} 133.30611 0.55507 0.77629 ++ {0.0} {} 0.0 0.0226 0 {} 0 16 {} 7.05015 0.01588 0.01575 ++ {0.0} {} {} 1.63484 0.09948 0.09899 ++ {0.0} {} {} 133.36266 0.38333 0.38082 ++ {0.0} {} 0.0 0.0135 0 {} 0 17 {} 7.05431 0.03066 0.05485 ++ {0.0} {} {} 2.73988 0.08756 0.15368 ++ {0.0} {} {} 133.33420 0.63963 1.13323 ++ {0.0} {} 0.0 0.0355 0 {} 0 18 {} 7.05325 0.03369 0.04982 ++ {0.0} {} {} 3.11658 0.09088 0.12854 ++ {0.0} {} {} 133.36574 0.72253 1.19969 ++ {0.0} {} 0.0 0.0274 0 {} 0 19 {} 7.04983 0.01317 0.01881 ++ {0.0} {} {} 4.08343 0.08654 0.06977 ++ {0.0} {} {} 133.32065 0.41190 0.31802 ++ {0.0} {} 0.0 0.0111 0 {} 0 20 {} 7.04928 0.03349 0.04077 ++ {0.0} {} {} 4.94214 0.08429 0.09796 ++ {0.0} {} {} 133.37764 0.65130 0.79417 ++ {0.0} {} 0.0 0.0174 0 {} 0 21 {} 7.04698 0.00951 0.00957 ++ {0.0} {} {} 6.23611 0.08306 0.15060 ++ {0.0} {} {} 133.36279 0.36527 0.18388 ++ {0.0} {} 0.0 0.0091 0 {} 0 22 {} 7.32696 0.01978 0.02076 ++ {0.0} {} {} 6.69070 0.09407 0.09762 ++ {0.0} {} {} 131.96088 0.39313 0.41629 ++ {0.0} {} 0.0 0.0116 0 {} 0 23 {} 7.24250 0.03571 0.04459 ++ {0.0} {} {} 4.25392 0.07355 0.09166 ++ {0.0} {} {} 131.85065 0.42846 0.58289 ++ {0.0} {} 0.0 0.0170 0 {} 0 24 {} 7.23921 0.03840 0.04578 ++ {0.0} {} {} 3.35722 0.07735 0.09704 ++ {0.0} {} {} 131.78593 0.55206 0.73887 ++ {0.0} {} 0.0 0.0164 0 {} 0 25 {} 7.24054 0.02778 0.04190 ++ {0.0} {} {} 2.87570 0.08248 0.11960 ++ {0.0} {} {} 131.84343 0.46251 0.72002 ++ {0.0} {} 0.0 0.0245 0 {} 0 26 {} 7.24292 0.02859 0.04151 ++ {0.0} {} {} 0.72622 0.07076 0.08228 ++ {0.0} {} {} 131.83463 0.54249 0.66779 ++ {0.0} {} 0.0 0.0141 0 {} 0 27 {13.HE1} 7.32026 0.01317 0.01881 ++ {0.0} {} {40.HD21} 0.72508 0.09605 0.11839 ++ {0.0} {} {13.CE1} 131.90320 0.37160 0.47673 ++ {0.0} {} 0.0 0.0152 0 {} 0 28 {} 7.32294 0.01086 0.02328 ++ {0.0} {} {} 2.77070 0.07598 0.07361 ++ {0.0} {} {} 131.87595 0.36568 0.34795 ++ {0.0} {} 0.0 0.0104 0 {} 0 29 {} 7.33083 0.02850 0.03265 ++ {0.0} {} {} 2.88664 0.08494 0.10445 ++ {0.0} {} {} 131.87373 0.44265 0.53571 ++ {0.0} {} 0.0 0.0138 0 {} 0 30 {} 7.33586 0.01945 0.02241 ++ {0.0} {} {} 3.34111 0.08938 0.10090 ++ {0.0} {} {} 131.92313 0.44707 0.53283 ++ {0.0} {} 0.0 0.0135 0 {} 0 31 {} 7.31291 0.01963 0.01849 ++ {0.0} {} {} 4.26699 0.09182 0.08357 ++ {0.0} {} {} 131.93454 0.46296 0.41946 ++ {0.0} {} 0.0 0.0099 0 {} 0 32 {} 7.33426 0.02258 0.02079 ++ {0.0} {} {} 5.07867 0.08702 0.08031 ++ {0.0} {} {} 131.95917 0.41466 0.37520 ++ {0.0} {} 0.0 0.0099 0 {} 0 33 {} 7.24108 0.01496 0.01536 ++ {0.0} {} {} 6.92840 0.08839 0.08979 ++ {0.0} {} {} 131.90085 0.34871 0.35599 ++ {0.0} {} 0.0 0.0089 0 {} 0 34 {24.HD1} 7.40796 0.02589 0.04125 ++ {0.0} {} {24.HB3} 3.26209 0.12303 0.18973 ++ {0.0} {} {24.CD1} 131.95613 0.52545 0.88981 ++ {0.0} {} 0.0 0.0284 0 {} 0 35 {} 7.41366 0.01561 0.01924 ++ {0.0} {} {} 4.27902 0.07931 0.09268 ++ {0.0} {} {} 131.94594 0.46963 0.59968 ++ {0.0} {} 0.0 0.0120 0 {} 0 36 {24.HD2} 7.40775 0.01954 0.03104 ++ {0.0} {} {24.HA} 4.45195 0.09569 0.14910 ++ {0.0} {} {24.CD2} 131.90100 0.50556 0.81532 ++ {0.0} {} 0.0 0.0225 0 {} 0 37 {} 7.41374 0.02880 0.02932 ++ {0.0} {} {} 6.93214 0.08282 0.11832 ++ {0.0} {} {} 131.94038 0.52497 0.54131 ++ {0.0} {} 0.0 0.0090 0 {} 0 38 {22.HD1} 6.94648 0.03238 0.06659 ++ {0.0} {} {22.HB3} 3.10668 0.16329 0.24133 ++ {0.0} {} {22.CD1} 132.38826 0.51540 0.86956 ++ {0.0} {} 0.0 0.0278 0 {} 0 39 {} 6.97390 0.01585 0.02684 ++ {0.0} {} {} 7.33875 0.09095 0.13728 ++ {0.0} {} {} 131.88295 0.40242 0.63624 ++ {0.0} {} 0.0 0.0208 -1 {} 0 40 {} 6.95484 0.02799 0.03584 ++ {0.0} {} {} 4.26906 0.06649 0.08696 ++ {0.0} {} {} 132.41908 0.46414 0.64744 ++ {0.0} {} 0.0 0.0144 0 {} 0 41 {} 6.95284 0.03364 0.04296 ++ {0.0} {} {} 4.64147 0.09030 0.11516 ++ {0.0} {} {} 132.38354 0.46998 0.65711 ++ {0.0} {} 0.0 0.0145 0 {} 0 42 {} 6.94877 0.00860 0.02325 ++ {0.0} {} {} 5.69623 0.05248 0.07269 ++ {0.0} {} {} 132.43883 0.30311 0.40618 ++ {0.0} {} 0.0 0.0132 0 {} 0 43 {} 6.96440 0.02616 0.03629 ++ {0.0} {} {} 6.34497 0.07628 0.09332 ++ {0.0} {} {} 132.31212 0.57435 0.73882 ++ {0.0} {} 0.0 0.0122 0 {} 0 44 {} 6.96338 0.00968 0.01124 ++ {0.0} {} {} 7.58308 0.08664 0.09433 ++ {0.0} {} {} 131.99280 0.51111 0.59354 ++ {0.0} {} 0.0 0.0104 -1 {} 0 45 {} 6.94981 0.01314 0.01877 ++ {0.0} {} {} 7.83279 0.08218 0.09715 ++ {0.0} {} {} 132.39674 0.56726 0.73800 ++ {0.0} {} 0.0 0.0125 0 {} 0 46 {} 7.62716 0.00765 0.01829 ++ {0.0} {} {} 0.19996 0.09009 0.10055 ++ {0.0} {} {} 132.34143 0.47631 0.55547 ++ {0.0} {} 0.0 0.0104 -1 {} 0 47 {} 7.61120 0.02343 0.05550 ++ {0.0} {} {} 0.46230 0.06844 0.10413 ++ {0.0} {} {} 132.31299 0.52426 0.83517 ++ {0.0} {} 0.0 0.0214 0 {} 0 48 {} 7.60483 0.02408 0.03899 ++ {0.0} {} {} 0.97358 0.07950 0.09312 ++ {0.0} {} {} 131.97615 0.49282 0.61925 ++ {0.0} {} 0.0 0.0117 -1 {} 0 49 {} 7.61129 0.03630 0.07433 ++ {0.0} {} {} 7.25771 0.08306 0.15688 ++ {0.0} {} {} 132.31996 0.55464 1.00100 ++ {0.0} {} 0.0 0.0446 0 {} 0 50 {} 7.60900 0.02355 0.03169 ++ {0.0} {} {} 6.94082 0.10851 0.14318 ++ {0.0} {} {} 132.36195 0.73251 1.06131 ++ {0.0} {} 0.0 0.0149 0 {} 0 51 {} 7.60984 0.02269 0.02395 ++ {0.0} {} {} 2.32793 0.07699 0.08205 ++ {0.0} {} {} 132.34482 0.35530 0.38653 ++ {0.0} {} 0.0 0.0095 0 {} 0 52 {} 7.61209 0.02281 0.02376 ++ {0.0} {} {} 4.63875 0.06292 0.06537 ++ {0.0} {} {} 132.33813 0.51337 0.54519 ++ {0.0} {} 0.0 0.0093 0 {} 0 53 {} 7.61017 0.03450 0.11521 ++ {0.0} {} {} 7.80898 0.10674 0.22239 ++ {0.0} {} {} 131.95850 0.40961 0.77740 ++ {0.0} {} 0.0 0.0853 0 {} 0 54 {} 7.80260 0.02425 0.02936 ++ {0.0} {} {} 0.46535 0.07830 0.09725 ++ {0.0} {} {} 131.96545 0.37330 0.49280 ++ {0.0} {} 0.0 0.0128 0 {} 0 55 {} 7.81453 0.03319 0.06481 ++ {0.0} {} {} 0.97871 0.06742 0.10200 ++ {0.0} {} {} 131.91385 0.51762 0.82871 ++ {0.0} {} 0.0 0.0218 0 {} 0 56 {} 7.81071 0.03354 0.04713 ++ {0.0} {} {} 3.30747 0.09365 0.14716 ++ {0.0} {} {} 131.88548 0.63746 1.00083 ++ {0.0} {} 0.0 0.0202 0 {} 0 57 {} 7.80533 0.02567 0.05643 ++ {0.0} {} {} 3.54658 0.08469 0.15098 ++ {0.0} {} {} 131.91901 0.66262 1.02035 ++ {0.0} {} 0.0 0.0164 0 {} 0 58 {} 7.79681 0.02763 0.03124 ++ {0.0} {} {} 3.83620 0.07959 0.09007 ++ {0.0} {} {} 131.89952 0.65302 0.75711 ++ {0.0} {} 0.0 0.0104 0 {} 0 59 {} 7.80754 0.04876 0.05623 ++ {0.0} {} {} 6.80724 0.12263 0.20319 ++ {0.0} {} {} 131.87566 0.64377 0.91683 ++ {0.0} {} 0.0 0.0151 0 {} 0 60 {} 7.81499 0.04326 0.04983 ++ {0.0} {} {} 6.93597 0.08556 0.13908 ++ {0.0} {} {} 131.91847 0.48631 0.65593 ++ {0.0} {} 0.0 0.0134 0 {} 0 61 {} 7.80753 0.03756 0.11419 ++ {0.0} {} {} 7.60935 0.15801 0.22572 ++ {0.0} {} {} 131.92415 0.45488 0.85658 ++ {0.0} {} 0.0 0.1163 0 {} 0 62 {} 7.82018 0.01359 0.01251 ++ {0.0} {} {} 4.84203 0.05353 0.04895 ++ {0.0} {} {} 131.92146 0.38313 0.34427 ++ {0.0} {} 0.0 0.0123 0 {} 0 63 {22.HE2} 6.93852 0.04390 0.08338 ++ {0.0} {} {22.HZ} 6.34332 0.08347 0.14981 ++ {0.0} {} {22.CE2} 130.60251 0.52479 0.92591 ++ {0.0} {} 0.0 0.0462 0 {} 0 64 {} 6.94416 0.05046 0.02301 ++ {0.0} {} {} 4.78088 0.09126 0.07736 ++ {0.0} {} {} 130.64613 0.66537 0.50947 ++ {0.0} {} 0.0 0.0088 0 {} 0 65 {22.HE1} 6.93583 0.03494 0.03827 ++ {0.0} {} {19.HA} 4.25758 0.07019 0.07773 ++ {0.0} {} {22.CE1} 130.54147 0.43969 0.48551 ++ {0.0} {} 0.0 0.0121 0 {} 0 66 {} 6.93357 0.01577 0.01414 ++ {0.0} {} {} 3.92959 0.06239 0.05682 ++ {0.0} {} {} 130.52953 0.47743 0.40429 ++ {0.0} {} 0.0 0.0094 0 {} 0 67 {} 6.93767 0.03061 0.04312 ++ {0.0} {} {} 2.27616 0.09358 0.12616 ++ {0.0} {} {} 130.60869 0.41450 0.57050 ++ {0.0} {} 0.0 0.0174 0 {} 0 68 {} 6.93496 0.01660 0.01379 ++ {0.0} {} {} 2.72392 0.10369 0.08958 ++ {0.0} {} {} 130.90642 0.49941 0.39833 ++ {0.0} {} 0.0 0.0090 0 {} 0 69 {} 6.94104 0.03704 0.03872 ++ {0.0} {} {} 1.32123 0.07333 0.07651 ++ {0.0} {} {} 130.56798 0.55782 0.59042 ++ {0.0} {} 0.0 0.0116 0 {} 0 70 {} 6.93699 0.03577 0.04166 ++ {0.0} {} {} 0.90178 0.09195 0.09927 ++ {0.0} {} {} 130.53731 0.72700 0.81376 ++ {0.0} {} 0.0 0.0124 0 {} 0 71 {} 7.27300 0.02317 0.02073 ++ {0.0} {} {} 1.69276 0.08044 0.07509 ++ {0.0} {} {} 130.05106 0.35991 0.31828 ++ {0.0} {} 0.0 0.0098 0 {} 0 72 {} 7.26041 0.01665 0.02062 ++ {0.0} {} {} 4.63148 0.08723 0.10725 ++ {0.0} {} {} 129.58656 0.53067 0.68691 ++ {0.0} {} 0.0 0.0154 0 {} 0 73 {} 7.25723 0.02998 0.06060 ++ {0.0} {} {} 2.39546 0.16434 0.23894 ++ {0.0} {} {} 129.53406 0.56174 0.88931 ++ {0.0} {} 0.0 0.0261 0 {} 0 74 {} 7.25689 0.02479 0.03958 ++ {0.0} {} {} 0.57347 0.09743 0.13705 ++ {0.0} {} {} 129.56360 0.45806 0.53335 ++ {0.0} {} 0.0 0.0130 0 {} 0 75 {} 7.25124 0.02350 0.02059 ++ {0.0} {} {} 0.73576 0.07549 0.06731 ++ {0.0} {} {} 129.53003 0.65967 0.55482 ++ {0.0} {} 0.0 0.0094 0 {} 0 76 {} 7.26079 0.04258 0.09242 ++ {0.0} {} {} 7.60807 0.10197 0.37621 ++ {0.0} {} {} 129.50766 0.51367 0.92688 ++ {0.0} {} 0.0 0.0556 0 {} 0 77 {} 7.26633 0.01437 0.01387 ++ {0.0} {} {} 6.97407 0.07757 0.07516 ++ {0.0} {} {} 129.53076 0.34734 0.33520 ++ {0.0} {} 0.0 0.0105 0 {} 0 78 {} 7.26291 0.00905 0.00964 ++ {0.0} {} {} 1.30561 0.07946 0.08530 ++ {0.0} {} {} 129.55093 0.34962 0.37241 ++ {0.0} {} 0.0 0.0093 0 {} 0 79 {} 6.35179 0.03057 0.04478 ++ {0.0} {} {} 3.92441 0.06529 0.09208 ++ {0.0} {} {} 127.78769 0.50258 0.72494 ++ {0.0} {} 0.0 0.0195 0 {} 0 80 {22.HZ} 6.34455 0.04103 0.07862 ++ {0.0} {} {22.HE2} 6.93802 0.08905 0.23993 ++ {0.0} {} {22.CZ} 127.90170 0.55134 0.97445 ++ {0.0} {} 0.0 0.0468 0 {} 0 81 {} 6.33400 0.01036 0.03020 ++ {0.0} {} {} 0.88428 0.07840 0.09764 ++ {0.0} {} {} 127.78630 0.47479 0.64872 ++ {0.0} {} 0.0 0.0172 0 {} 0 82 {} 6.34578 0.02143 0.01851 ++ {0.0} {} {} 1.34249 0.04343 0.08634 ++ {0.0} {} {} 128.03696 0.25861 0.21065 ++ {0.0} {} 0.0 0.0092 0 {} 0 83 {} 6.34839 0.01948 0.02290 ++ {0.0} {} {} 1.69989 0.08238 0.09487 ++ {0.0} {} {} 128.19357 0.62164 0.72540 ++ {0.0} {} 0.0 0.0131 0 {} 0 84 {} 6.08746 0.03904 0.04554 ++ {0.0} {} {} 3.29445 0.07832 0.10305 ++ {0.0} {} {} 127.04094 0.45914 0.63806 ++ {0.0} {} 0.0 0.0178 0 {} 0 85 {} 6.08993 0.01059 0.01143 ++ {0.0} {} {} 3.48927 0.07580 0.08124 ++ {0.0} {} {} 126.91077 0.55007 0.59412 ++ {0.0} {} 0.0 0.0118 0 {} 0 86 {} 6.08827 0.02248 0.02576 ++ {0.0} {} {} 6.74528 0.08873 0.10520 ++ {0.0} {} {} 126.88041 0.42166 0.47317 ++ {0.0} {} 0.0 0.0124 0 {} 0 87 {} 6.07889 0.01435 0.01340 ++ {0.0} {} {} 5.30789 0.09143 0.08457 ++ {0.0} {} {} 126.77955 0.47518 0.44459 ++ {0.0} {} 0.0 0.0082 0 {} 0 88 {} 6.06062 0.01481 0.01708 ++ {0.0} {} {} -0.76132 0.07292 0.08058 ++ {0.0} {} {} 126.87875 0.30585 0.34109 ++ {0.0} {} 0.0 0.0098 0 {} 0 89 {} 6.08152 0.04134 0.05643 ++ {0.0} {} {} -0.59162 0.05820 0.07731 ++ {0.0} {} {} 126.93735 0.42581 0.53936 ++ {0.0} {} 0.0 0.0119 0 {} 0 90 {} 7.28568 0.02065 0.02956 ++ {0.0} {} {} 7.54663 0.06578 0.10054 ++ {0.0} {} {} 124.89584 0.61919 0.96441 ++ {0.0} {} 0.0 0.0197 0 {} 0 91 {} 7.00429 0.01310 0.01331 ++ {0.0} {} {} 7.33334 0.07342 0.07416 ++ {0.0} {} {} 123.16147 0.50856 0.51677 ++ {0.0} {} 0.0 0.0088 0 {} 0 92 {} 6.44152 0.04623 0.07265 ++ {0.0} {} {} 7.18854 0.08786 0.15220 ++ {0.0} {} {} 123.45605 0.63478 1.27623 ++ {0.0} {} 0.0 0.0326 0 {} 0 93 {} 6.44444 0.03581 0.06317 ++ {0.0} {} {} 5.69541 0.08482 0.15232 ++ {0.0} {} {} 123.51591 0.58097 0.98138 ++ {0.0} {} 0.0 0.0258 0 {} 0 94 {50.HH2} 6.43868 0.04913 0.08393 ++ {0.0} {} {19.HA} 4.23321 0.07950 0.12905 ++ {0.0} {} {50.CH2} 123.50695 0.59438 1.01382 ++ {0.0} {} 0.0 0.0296 0 {} 0 95 {} 6.45017 0.02514 0.02776 ++ {0.0} {} {} 3.05966 0.09435 0.10920 ++ {0.0} {} {} 123.46780 0.32794 0.37698 ++ {0.0} {} 0.0 0.0102 0 {} 0 96 {} 6.45263 0.02218 0.03005 ++ {0.0} {} {} -0.30446 0.09358 0.11876 ++ {0.0} {} {} 123.53227 0.48349 0.67530 ++ {0.0} {} 0.0 0.0144 0 {} 0 97 {} 6.45270 0.01551 0.01827 ++ {0.0} {} {} 1.92930 0.07420 0.08265 ++ {0.0} {} {} 123.53379 0.34872 0.41718 ++ {0.0} {} 0.0 0.0108 0 {} 0 98 {} 6.41525 0.02185 0.02050 ++ {0.0} {} {} 2.48471 0.06369 0.05831 ++ {0.0} {} {} 122.61288 0.55961 0.50007 ++ {0.0} {} 0.0 0.0079 0 {} 0 99 {} 6.43421 0.02173 0.02191 ++ {0.0} {} {} 6.18804 0.03740 0.08275 ++ {0.0} {} {} 123.49737 0.36115 0.36488 ++ {0.0} {} 0.0 0.0088 0 {} 0 100 {} 7.73968 0.03169 0.04924 ++ {0.0} {} {} 7.18800 0.08253 0.12906 ++ {0.0} {} {} 121.69558 0.17810 0.30162 ++ {0.0} {} 0.0 0.0284 0 {} 0 101 {} 7.19266 0.03207 0.04678 ++ {0.0} {} {} 7.73348 0.08072 0.11387 ++ {0.0} {} {} 121.64883 0.18104 0.28185 ++ {0.0} {} 0.0 0.0196 0 {} 0 102 {} 6.81054 0.00920 0.02519 ++ {0.0} {} {} 7.80504 0.07425 0.09217 ++ {0.0} {} {} 121.54542 0.52261 0.70449 ++ {0.0} {} 0.0 0.0134 0 {} 0 103 {} 6.82072 0.02387 0.02756 ++ {0.0} {} {} 3.84960 0.07070 0.08268 ++ {0.0} {} {} 121.66902 0.55089 0.66545 ++ {0.0} {} 0.0 0.0110 0 {} 0 104 {} 6.81289 0.02343 0.02092 ++ {0.0} {} {} 3.50579 0.10345 0.09058 ++ {0.0} {} {} 121.52412 0.82169 0.69491 ++ {0.0} {} 0.0 0.0075 0 {} 0 105 {} 6.78649 0.01597 0.01543 ++ {0.0} {} {} 3.30692 0.08522 0.08359 ++ {0.0} {} {} 121.59193 0.38853 0.37891 ++ {0.0} {} 0.0 0.0085 0 {} 0 106 {} 6.80139 0.01549 0.01902 ++ {0.0} {} {} 0.44513 0.07928 0.08873 ++ {0.0} {} {} 121.74773 0.39484 0.47040 ++ {0.0} {} 0.0 0.0086 0 {} 0 107 {} 6.81181 0.02611 0.03759 ++ {0.0} {} {} 3.19993 0.09473 0.16804 ++ {0.0} {} {} 120.28893 0.63028 1.17441 ++ {0.0} {} 0.0 0.0252 0 {} 0 108 {} 6.81332 0.01858 0.02019 ++ {0.0} {} {} 4.24163 0.09907 0.10848 ++ {0.0} {} {} 120.23897 0.48680 0.54686 ++ {0.0} {} 0.0 0.0099 0 {} 0 109 {} 6.80804 0.02048 0.02208 ++ {0.0} {} {} 5.74711 0.10684 0.12003 ++ {0.0} {} {} 120.20461 0.37013 0.40304 ++ {0.0} {} 0.0 0.0096 0 {} 0 110 {} 6.80669 0.02709 0.06721 ++ {0.0} {} {} 5.70704 0.08856 0.17703 ++ {0.0} {} {} 121.21894 0.29575 0.50162 ++ {0.0} {} 0.0 0.0286 0 {} 0 111 {} 6.81238 0.01614 0.01750 ++ {0.0} {} {} 6.45279 0.08846 0.09550 ++ {0.0} {} {} 120.21549 0.27096 0.30136 ++ {0.0} {} 0.0 0.0098 0 {} 0 112 {} 6.81315 0.01635 0.01679 ++ {0.0} {} {} -0.50221 0.05700 0.05867 ++ {0.0} {} {} 120.31564 0.33377 0.34566 ++ {0.0} {} 0.0 0.0090 0 {} 0 113 {} 6.66398 0.03444 0.05608 ++ {0.0} {} {} 6.94030 0.04236 0.13370 ++ {0.0} {} {} 119.77435 0.48524 0.66783 ++ {0.0} {} 0.0 0.0140 0 {} 0 114 {} 6.80039 0.02180 0.03015 ++ {0.0} {} {} 6.66734 0.08343 0.12540 ++ {0.0} {} {} 119.85524 0.58091 0.99540 ++ {0.0} {} 0.0 0.0304 0 {} 0 115 {} 6.67830 0.01937 0.03572 ++ {0.0} {} {} 4.27294 0.07579 0.11198 ++ {0.0} {} {} 119.79586 0.55387 0.85514 ++ {0.0} {} 0.0 0.0191 0 {} 0 116 {} 6.66589 0.03359 0.05255 ++ {0.0} {} {} 4.78212 0.08114 0.11785 ++ {0.0} {} {} 119.81958 0.60199 0.89148 ++ {0.0} {} 0.0 0.0166 0 {} 0 117 {} 6.66477 0.02989 0.03234 ++ {0.0} {} {} 6.53842 0.07980 0.11400 ++ {0.0} {} {} 119.77663 0.53793 0.59907 ++ {0.0} {} 0.0 0.0098 0 {} 0 118 {} 6.65882 0.01638 0.02092 ++ {0.0} {} {} 3.00280 0.07507 0.09270 ++ {0.0} {} {} 119.85947 0.35104 0.45455 ++ {0.0} {} 0.0 0.0123 0 {} 0 119 {} 6.66359 0.01554 0.01590 ++ {0.0} {} {} 2.69874 0.08972 0.09160 ++ {0.0} {} {} 119.76194 0.33449 0.34474 ++ {0.0} {} 0.0 0.0090 0 {} 0 120 {} 6.66212 0.01869 0.02124 ++ {0.0} {} {} 0.93497 0.08265 0.08879 ++ {0.0} {} {} 119.80726 0.53230 0.58927 ++ {0.0} {} 0.0 0.0097 0 {} 0 121 {} 7.28414 0.03017 0.05082 ++ {0.0} {} {} 7.14581 0.08778 0.12540 ++ {0.0} {} {} 119.83395 0.61485 1.36586 ++ {0.0} {} 0.0 0.0369 0 {} 0 122 {} 7.27837 0.01641 0.02030 ++ {0.0} {} {} 4.46699 0.05867 0.07370 ++ {0.0} {} {} 119.76557 0.38186 0.48595 ++ {0.0} {} 0.0 0.0120 0 {} 0 123 {} 7.27687 0.02323 0.02060 ++ {0.0} {} {} 3.31112 0.07708 0.06897 ++ {0.0} {} {} 119.79750 0.48474 0.39869 ++ {0.0} {} 0.0 0.0074 0 {} 0 124 {} 7.26929 0.01999 0.02110 ++ {0.0} {} {} 0.86145 0.06473 0.06672 ++ {0.0} {} {} 119.73473 0.38398 0.39917 ++ {0.0} {} 0.0 0.0091 0 {} 0 125 {} 7.13572 0.01442 0.02045 ++ {0.0} {} {} 5.37297 0.07661 0.09523 ++ {0.0} {} {} 119.83839 0.38579 0.51228 ++ {0.0} {} 0.0 0.0104 0 {} 0 126 {} 7.14612 0.01291 0.01442 ++ {0.0} {} {} 3.75978 0.05913 0.06812 ++ {0.0} {} {} 119.74993 0.34462 0.39361 ++ {0.0} {} 0.0 0.0081 0 {} 0 127 {} 7.13886 0.00950 0.01151 ++ {0.0} {} {} 2.31177 0.09043 0.10409 ++ {0.0} {} {} 119.86215 0.30903 0.37460 ++ {0.0} {} 0.0 0.0088 0 {} 0 128 {} 6.86662 0.02704 0.07163 ++ {0.0} {} {} 7.19927 0.07690 0.19220 ++ {0.0} {} {} 117.94637 0.81183 1.68209 ++ {0.0} {} 0.0 0.1782 0 {} 0 129 {} 6.74927 0.02665 0.09738 ++ {0.0} {} {} 7.04976 0.07094 0.18752 ++ {0.0} {} {} 118.01558 0.70482 1.74098 ++ {0.0} {} 0.0 0.3297 0 {} 0 130 {} 6.74992 0.03044 0.04513 ++ {0.0} {} {} 6.08191 0.07817 0.12328 ++ {0.0} {} {} 117.96954 0.57672 0.88833 ++ {0.0} {} 0.0 0.0189 0 {} 0 131 {} 6.86480 0.02448 0.04176 ++ {0.0} {} {} 4.78084 0.08811 0.18128 ++ {0.0} {} {} 117.93127 0.72720 1.45821 ++ {0.0} {} 0.0 0.0350 0 {} 0 132 {} 6.74761 0.02756 0.04073 ++ {0.0} {} {} 4.78524 0.06584 0.10571 ++ {0.0} {} {} 117.97835 0.73379 1.20271 ++ {0.0} {} 0.0 0.0188 0 {} 0 133 {} 6.87246 0.02226 0.03112 ++ {0.0} {} {} 2.97123 0.10909 0.19666 ++ {0.0} {} {} 117.92844 0.64640 0.96953 ++ {0.0} {} 0.0 0.0159 0 {} 0 134 {} 6.86336 0.02650 0.04018 ++ {0.0} {} {} 2.69974 0.09910 0.15254 ++ {0.0} {} {} 117.98441 0.54554 0.75078 ++ {0.0} {} 0.0 0.0140 0 {} 0 135 {} 6.73858 0.01395 0.01517 ++ {0.0} {} {} 3.29519 0.09627 0.10759 ++ {0.0} {} {} 117.94241 0.44722 0.50989 ++ {0.0} {} 0.0 0.0101 0 {} 0 136 {} 6.74415 0.02608 0.02957 ++ {0.0} {} {} 3.09772 0.07383 0.08740 ++ {0.0} {} {} 117.91062 0.43038 0.52039 ++ {0.0} {} 0.0 0.0110 0 {} 0 137 {} 6.74971 0.01693 0.01858 ++ {0.0} {} {} 3.91445 0.06495 0.07110 ++ {0.0} {} {} 117.90533 0.38843 0.44057 ++ {0.0} {} 0.0 0.0101 0 {} 0 138 {} 6.86733 0.01615 0.00954 ++ {0.0} {} {} 5.15402 0.11519 0.08176 ++ {0.0} {} {} 117.95918 0.25910 0.17496 ++ {0.0} {} 0.0 0.0066 0 {} 0 139 {} 6.87170 0.01859 0.01800 ++ {0.0} {} {} 6.52787 0.08778 0.12540 ++ {0.0} {} {} 117.92278 0.35093 0.33227 ++ {0.0} {} 0.0 0.0083 0 {} 0 140 {} 6.74930 0.03338 0.04698 ++ {0.0} {} {} 2.07044 0.07824 0.10914 ++ {0.0} {} {} 118.02486 0.77425 1.18921 ++ {0.0} {} 0.0 0.0145 0 {} 0 141 {} 6.75303 0.02114 0.03148 ++ {0.0} {} {} 0.92371 0.09422 0.13529 ++ {0.0} {} {} 118.00106 0.65241 0.98997 ++ {0.0} {} 0.0 0.0180 0 {} 0 142 {10.HE2} 6.74932 0.02487 0.04333 ++ {0.0} {} {40.HD11} 0.68873 0.09437 0.17505 ++ {0.0} {} {10.CE2} 117.95142 0.58084 0.89742 ++ {0.0} {} 0.0 0.0268 0 {} 0 143 {} 6.74891 0.02146 0.02688 ++ {0.0} {} {} -0.60142 0.07498 0.09611 ++ {0.0} {} {} 117.99319 0.58272 0.79386 ++ {0.0} {} 0.0 0.0137 0 {} 0 144 {} 6.74921 0.02075 0.02335 ++ {0.0} {} {} 6.37857 0.06656 0.07206 ++ {0.0} {} {} 117.94131 0.66115 0.74624 ++ {0.0} {} 0.0 0.0100 0 {} 0 145 {} 6.86193 0.01474 0.01806 ++ {0.0} {} {} 1.10295 0.07128 0.07971 ++ {0.0} {} {} 117.90823 0.31226 0.37160 ++ {0.0} {} 0.0 0.0107 0 {} 0 146 {} 6.73029 0.01022 0.00967 ++ {0.0} {} {} 1.71706 0.09683 0.09246 ++ {0.0} {} {} 117.91232 0.29053 0.27493 ++ {0.0} {} 0.0 0.0083 0 {} 0 147 {} 6.86634 0.01378 0.01239 ++ {0.0} {} {} 6.04447 0.10169 0.09518 ++ {0.0} {} {} 117.84721 0.36835 0.33230 ++ {0.0} {} 0.0 0.0079 0 {} 0 148 {} 7.54632 0.02151 0.04097 ++ {0.0} {} {} 7.28635 0.07669 0.11999 ++ {0.0} {} {} 114.70541 0.87343 1.43536 ++ {0.0} {} 0.0 0.0310 0 {} 0 149 {50.HZ2} 7.19214 0.03497 0.08425 ++ {0.0} {} {50.HH2} 6.44452 0.08022 0.14396 ++ {0.0} {} {50.CZ2} 114.25507 0.72145 1.51570 ++ {0.0} {} 0.0 0.0450 0 {} 0 150 {50.HZ2} 7.19427 0.04481 0.05270 ++ {0.0} {} {15.HG21} 1.33243 0.07678 0.10942 ++ {0.0} {} {50.CZ2} 114.30791 0.70416 1.00310 ++ {0.0} {} 0.0 0.0151 0 {} 0 151 {50.HZ2} 7.19151 0.02215 0.02538 ++ {0.0} {} {19.HG2} 2.55299 0.06788 0.08280 ++ {0.0} {} {50.CZ2} 114.26299 0.64407 0.76193 ++ {0.0} {} 0.0 0.0107 0 {} 0 152 {50.HZ2} 7.19832 0.01882 0.01751 ++ {0.0} {} {15.HA} 3.44374 0.11799 0.11420 ++ {0.0} {} {50.CZ2} 114.22898 0.49460 0.45647 ++ {0.0} {} 0.0 0.0081 0 {} 0 153 {50.HZ2} 7.19232 0.01450 0.01279 ++ {0.0} {} {19.HA} 4.22599 0.09342 0.08449 ++ {0.0} {} {50.CZ2} 114.16803 0.37853 0.31589 ++ {0.0} {} 0.0 0.0075 0 {} 0 154 {50.HZ2} 7.19387 0.02023 0.01856 ++ {0.0} {} {19.HB2} 2.15189 0.10824 0.10193 ++ {0.0} {} {50.CZ2} 114.12380 0.59967 0.52826 ++ {0.0} {} 0.0 0.0078 0 {} 0 155 {50.HZ2} 7.19325 0.03475 0.03760 ++ {0.0} {} {50.HE1} 9.89985 0.11027 0.12420 ++ {0.0} {} {50.CZ2} 114.25294 0.60076 0.70578 ++ {0.0} {} 0.0 0.0132 0 {} 0 156 {} 7.39283 0.01566 0.01945 ++ {0.0} {} {} 2.81711 0.08545 0.10717 ++ {0.0} {} {} 130.96906 0.38010 0.49752 ++ {0.0} {} 0.0 0.0126 0 {} 0 157 {} 7.38068 0.02280 0.02283 ++ {0.0} {} {} 9.01130 0.06097 0.06108 ++ {0.0} {} {} 131.04828 0.49649 0.49775 ++ {0.0} {} 0.0 0.0087 0 {} 0 158 {} 8.22555 0.01044 0.01992 ++ {0.0} {} {} 5.66125 0.11472 0.10913 ++ {0.0} {} {} 137.56493 0.35509 0.32843 ++ {0.0} {} 0.0 0.0081 0 {} 0 159 {} 8.15680 0.02259 0.02554 ++ {0.0} {} {} 6.49234 0.08107 0.08206 ++ {0.0} {} {} 137.50177 0.31040 0.31673 ++ {0.0} {} 0.0 0.0089 0 {} 0 160 {} 8.15690 0.02253 0.02176 ++ {0.0} {} {} 7.55027 0.11252 0.10806 ++ {0.0} {} {} 137.51285 0.37348 0.35967 ++ {0.0} {} 0.0 0.0084 0 {} 0 161 {} 8.23146 0.01881 0.02335 ++ {0.0} {} {} -0.97649 0.07554 0.08892 ++ {0.0} {} {} 138.44034 0.25704 0.32531 ++ {0.0} {} 0.0 0.0119 0 {} 0 162 {} 8.23146 0.01881 0.02335 ++ {0.0} {} {} -0.97649 0.07554 0.08892 ++ {0.0} {} {} 138.44034 0.25704 0.32531 ++ {0.0} {} 0.0 0.0119 0 {} 0 163 {} 8.18640 0.03134 0.07162 ++ {0.0} {} {} 4.78263 0.09244 0.16205 ++ {0.0} {} {} 136.16951 0.45445 0.79972 ++ {0.0} {} 0.0 0.0362 0 {} 0 164 {} 8.21622 0.02072 0.02327 ++ {0.0} {} {} 4.79317 0.06064 0.07269 ++ {0.0} {} {} 137.54988 0.32788 0.39950 ++ {0.0} {} 0.0 0.0111 0 {} 0 165 {} 8.23146 0.01881 0.02021 ++ {0.0} {} {} -0.97649 0.07554 0.08149 ++ {0.0} {} {} 138.44034 0.25704 0.27812 ++ {0.0} {} 0.0 0.0119 0 {} 0 166 {} 8.19021 0.01543 0.01802 ++ {0.0} {} {} 4.22853 0.07594 0.08873 ++ {0.0} {} {} 136.16600 0.39486 0.47255 ++ {0.0} {} 0.0 0.0108 0 {} 0 167 {} 8.18390 0.01833 0.01825 ++ {0.0} {} {} 1.66946 0.08362 0.08333 ++ {0.0} {} {} 136.17415 0.51141 0.50841 ++ {0.0} {} 0.0 0.0087 0 {} 0 168 {} 8.18095 0.00653 0.01535 ++ {0.0} {} {} 2.47861 0.07195 0.07449 ++ {0.0} {} {} 136.14743 0.35787 0.37788 ++ {0.0} {} 0.0 0.0092 0 {} 0 169 {} 7.27774 0.01385 0.01730 ++ {0.0} {} {} 7.96574 0.10480 0.12657 ++ {0.0} {} {} 130.52661 0.41046 0.49194 ++ {0.0} {} 0.0 0.0087 0 {} 0 170 {} 7.27775 0.01913 0.02038 ++ {0.0} {} {} -0.65240 0.06766 0.07317 ++ {0.0} {} {} 130.50208 0.35139 0.38696 ++ {0.0} {} 0.0 0.0077 0 {} 0 171 {} 6.93154 0.02168 0.02114 ++ {0.0} {} {} 7.98359 0.11673 0.11487 ++ {0.0} {} {} 130.51755 0.44977 0.43723 ++ {0.0} {} 0.0 0.0085 0 {} 0 172 {} 6.08291 0.02269 0.02492 ++ {0.0} {} {} 9.91467 0.07836 0.08605 ++ {0.0} {} {} 126.88567 0.54785 0.61005 ++ {0.0} {} 0.0 0.0239 0 {} 0 173 {} 7.19924 0.03082 0.12727 ++ {0.0} {} {} 6.87599 0.08351 0.27588 ++ {0.0} {} {} 133.63837 0.50570 0.97912 ++ {0.0} {} 0.0 0.1703 0 {} 0 174 {} 5.69560 0.02755 0.03522 ++ {0.0} {} {} 6.79783 0.10582 0.13445 ++ {0.0} {} {} 121.19037 0.26922 0.38369 ++ {0.0} {} 0.0 0.0236 0 {} 0 175 {} 5.68646 0.04353 0.04531 ++ {0.0} {} {} 6.43376 0.07105 0.07380 ++ {0.0} {} {} 120.82839 0.71000 0.74002 ++ {0.0} {} 0.0 0.0142 0 {} 0 176 {} 6.90215 0.01759 0.03107 ++ {0.0} {} {} 7.19560 0.07483 0.12585 ++ {0.0} {} {} 118.57463 0.52907 0.95223 ++ {0.0} {} 0.0 0.0679 0 {} 0 177 {} 7.20083 0.03827 0.06803 ++ {0.0} {} {} 7.32533 0.06866 0.12540 ++ {0.0} {} {} 133.67831 0.56021 0.88437 ++ {0.0} {} 0.0 0.0258 0 {} 0 178 {22.HD2} 6.94918 0.03238 0.05080 ++ {0.0} {} {22.HB2} 3.16393 0.16329 0.21554 ++ {0.0} {} {22.CD2} 132.38826 0.51540 0.77910 ++ {0.0} {} 0.0 0.0278 0 {} 0 179 {} 7.62198 0.02343 0.04419 ++ {0.0} {} {} 0.96326 0.06844 0.08925 ++ {0.0} {} {} 132.31299 0.52426 0.71550 ++ {0.0} {} 0.0 0.0214 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-aromatic . 'not observed' 6300 Hz . . . 4.777 . . 31057 13 2 . . H 1 H . 'not observed' 7000 Hz . . . 4.777 . . 31057 13 3 . . C 13 N . 'not observed' 4500 Hz . . . 125.000 . . 31057 13 stop_ save_ save_spectral_peak_list_14 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_14 _Spectral_peak_list.Entry_ID 31057 _Spectral_peak_list.ID 14 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 15 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _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 ; label dataset sw sf H1 1H C13 AbdA_cnoesy-ali.nv 3540.88305664 7000.35009766 9199.63183594 599.664978027 599.664978027 150.791000366 H1.L H1.P H1.W H1.B H1.E H1.J H1.U 1H.L 1H.P 1H.W 1H.B 1H.E 1H.J 1H.U C13.L C13.P C13.W C13.B C13.E C13.J C13.U vol int stat comment flag0 0 {} 4.04851 0.03002 0.03507 ++ {0.0} {} {} 1.03351 0.07546 0.08819 ++ {0.0} {} {} 70.30797 1.08664 1.34083 ++ {0.0} {} 0.0 0.0651 0 {} 0 1 {} 4.04717 0.02684 0.03700 ++ {0.0} {} {} 4.25600 0.08537 0.14119 ++ {0.0} {} {} 70.15109 1.33649 2.02997 ++ {0.0} {} 0.0 0.0664 0 {} 0 2 {} 4.32665 0.04486 0.06261 ++ {0.0} {} {} 1.32335 0.06478 0.09908 ++ {0.0} {} {} 68.69771 1.05435 1.67666 ++ {0.0} {} 0.0 0.0779 0 {} 0 3 {} 3.41876 0.03745 0.04737 ++ {0.0} {} {} 1.32558 0.07479 0.09685 ++ {0.0} {} {} 67.64615 1.11564 1.50710 ++ {0.0} {} 0.0 0.0492 0 {} 0 4 {} 3.41965 0.04066 0.03869 ++ {0.0} {} {} 0.49382 0.09838 0.09447 ++ {0.0} {} {} 67.63758 1.27112 1.20098 ++ {0.0} {} 0.0 0.0303 0 {} 0 5 {} 3.42100 0.03163 0.03040 ++ {0.0} {} {} -0.58911 0.06515 0.06180 ++ {0.0} {} {} 67.66290 1.27910 1.20072 ++ {0.0} {} 0.0 0.0301 0 {} 0 6 {} 3.54744 0.03656 0.04876 ++ {0.0} {} {} 0.85372 0.07866 0.11321 ++ {0.0} {} {} 65.65357 1.18193 1.76697 ++ {0.0} {} 0.0 0.0632 0 {} 0 7 {} 3.54307 0.03596 0.03568 ++ {0.0} {} {} 1.05791 0.09413 0.09313 ++ {0.0} {} {} 65.72052 1.36518 1.34623 ++ {0.0} {} 0.0 0.0315 0 {} 0 8 {} 3.54835 0.03451 0.04150 ++ {0.0} {} {} 1.46939 0.08330 0.10112 ++ {0.0} {} {} 65.60052 1.18763 1.50291 ++ {0.0} {} 0.0 0.0435 0 {} 0 9 {} 3.54776 0.02965 0.02890 ++ {0.0} {} {} 1.74407 0.08942 0.08779 ++ {0.0} {} {} 65.71814 1.25615 1.22669 ++ {0.0} {} 0.0 0.0312 0 {} 0 10 {} 3.55553 0.02383 0.01927 ++ {0.0} {} {} 1.88620 0.08253 0.06840 ++ {0.0} {} {} 65.60004 1.17205 0.90057 ++ {0.0} {} 0.0 0.0259 0 {} 0 11 {} 3.55262 0.04285 0.02576 ++ {0.0} {} {} 2.05862 0.09375 0.05609 ++ {0.0} {} {} 65.70232 1.23054 0.56782 ++ {0.0} {} 0.0 0.0208 0 {} 0 12 {} 3.90064 0.02204 0.03532 ++ {0.0} {} {} 0.74877 0.07816 0.04324 ++ {0.0} {} {} 64.87164 1.03929 0.61030 ++ {0.0} {} 0.0 0.0226 0 {} 0 13 {} 3.89030 0.04172 0.06268 ++ {0.0} {} {} 0.88085 0.07232 0.09800 ++ {0.0} {} {} 64.82301 1.18368 1.72012 ++ {0.0} {} 0.0 0.0584 0 {} 0 14 {} 3.89218 0.03405 0.03956 ++ {0.0} {} {} 1.14097 0.07447 0.08802 ++ {0.0} {} {} 64.85027 1.03822 1.26775 ++ {0.0} {} 0.0 0.0410 0 {} 0 15 {} 3.89214 0.04045 0.05930 ++ {0.0} {} {} 1.60140 0.11170 0.14881 ++ {0.0} {} {} 64.84926 1.08171 1.68939 ++ {0.0} {} 0.0 0.0729 0 {} 0 16 {} 3.88419 0.06193 0.07250 ++ {0.0} {} {} 1.74189 0.05986 0.15637 ++ {0.0} {} {} 64.80002 1.13858 1.50436 ++ {0.0} {} 0.0 0.0470 0 {} 0 17 {} 3.86079 0.03952 0.03425 ++ {0.0} {} {} 2.16137 0.08029 0.06984 ++ {0.0} {} {} 64.67239 1.39403 1.16793 ++ {0.0} {} 0.0 0.0275 0 {} 0 18 {} 3.86009 0.03906 0.03591 ++ {0.0} {} {} 1.96014 0.07339 0.06909 ++ {0.0} {} {} 64.61493 1.18586 1.10778 ++ {0.0} {} 0.0 0.0300 0 {} 0 19 {} 3.86288 0.03026 0.02899 ++ {0.0} {} {} 1.33391 0.10645 0.10338 ++ {0.0} {} {} 64.57140 1.14747 1.10515 ++ {0.0} {} 0.0 0.0308 0 {} 0 20 {} 3.86040 0.03631 0.04155 ++ {0.0} {} {} 1.02837 0.06594 0.07808 ++ {0.0} {} {} 64.61277 1.08628 1.28962 ++ {0.0} {} 0.0 0.0393 0 {} 0 21 {} 3.82671 0.03288 0.03155 ++ {0.0} {} {} 3.31292 0.08421 0.07815 ++ {0.0} {} {} 63.78957 1.15446 1.03506 ++ {0.0} {} 0.0 0.0289 0 {} 0 22 {} 3.82884 0.04290 0.05952 ++ {0.0} {} {} 3.56802 0.08882 0.12632 ++ {0.0} {} {} 63.76091 1.33427 1.92024 ++ {0.0} {} 0.0 0.0569 0 {} 0 23 {51.HA} 3.82753 0.02693 0.01189 ++ {0.0} {} {54.HB2} 0.69119 0.08435 0.05885 ++ {0.0} {} {51.CA} 63.82966 1.05381 0.68702 ++ {0.0} {} 0.0 0.0237 0 {} 0 24 {} 3.93656 0.03493 0.04186 ++ {0.0} {} {} 0.74861 0.09327 0.11309 ++ {0.0} {} {} 63.97367 1.24376 1.51110 ++ {0.0} {} 0.0 0.0407 0 {} 0 25 {} 3.93486 0.03815 0.06088 ++ {0.0} {} {} 0.98729 0.08810 0.12672 ++ {0.0} {} {} 63.96572 1.19232 1.78826 ++ {0.0} {} 0.0 0.0626 0 {} 0 26 {} 3.93199 0.03179 0.03107 ++ {0.0} {} {} 1.54927 0.11984 0.11632 ++ {0.0} {} {} 64.00805 1.30605 1.25687 ++ {0.0} {} 0.0 0.0308 0 {} 0 27 {} 3.93442 0.03507 0.03550 ++ {0.0} {} {} 2.15507 0.09208 0.09343 ++ {0.0} {} {} 63.97392 1.29822 1.31906 ++ {0.0} {} 0.0 0.0325 0 {} 0 28 {50.HA} 3.93460 0.04247 0.04884 ++ {0.0} {} {50.HB3} 3.29722 0.08614 0.10331 ++ {0.0} {} {50.CA} 63.49380 1.28461 1.60639 ++ {0.0} {} 0.0 0.0426 0 {} 0 29 {47.HA} 3.93049 0.03108 0.03716 ++ {0.0} {} {50.HB2} 3.50419 0.10317 0.12840 ++ {0.0} {} {47.CA} 63.78151 1.53406 1.93902 ++ {0.0} {} 0.0 0.0434 0 {} 0 30 {50.HA} 3.94111 0.04558 0.04227 ++ {0.0} {} {53.HB2} 2.62705 0.10319 0.09190 ++ {0.0} {} {50.CA} 63.20710 1.46901 1.27628 ++ {0.0} {} 0.0 0.0181 0 {} 0 31 {} 3.70797 0.03488 0.05819 ++ {0.0} {} {} 2.06264 0.10575 0.22070 ++ {0.0} {} {} 61.13808 1.12325 2.04683 ++ {0.0} {} 0.0 0.1150 0 {} 0 32 {} 3.71077 0.04295 0.06364 ++ {0.0} {} {} 1.47561 0.09602 0.15582 ++ {0.0} {} {} 61.12198 1.10500 1.86686 ++ {0.0} {} 0.0 0.0658 0 {} 0 33 {} 4.26275 0.03706 0.05379 ++ {0.0} {} {} 1.03269 0.07648 0.12861 ++ {0.0} {} {} 62.04427 0.99347 1.65749 ++ {0.0} {} 0.0 0.0616 0 {} 0 34 {} 3.86339 0.03204 0.01848 ++ {0.0} {} {} 2.50007 0.10059 0.06548 ++ {0.0} {} {} 64.80315 1.29354 0.71023 ++ {0.0} {} 0.0 0.0113 0 {} 0 35 {51.HA} 3.82715 0.04333 0.04255 ++ {0.0} {} {54.HB3} -0.31710 0.09324 0.09151 ++ {0.0} {} {51.CA} 63.79449 1.24877 1.21938 ++ {0.0} {} 0.0 0.0160 0 {} 0 36 {} 4.24045 0.04715 0.06350 ++ {0.0} {} {} 1.88193 0.16365 0.25840 ++ {0.0} {} {} 57.20570 1.32577 2.62272 ++ {0.0} {} 0.0 0.0414 0 {} 0 37 {} 4.25174 0.02194 0.03135 ++ {0.0} {} {} 1.90081 0.12059 0.16318 ++ {0.0} {} {} 61.17232 1.62496 3.00642 ++ {0.0} {} 0.0 0.0201 0 {} 0 38 {} 4.25899 0.03727 0.06319 ++ {0.0} {} {} 3.35504 0.08082 0.15098 ++ {0.0} {} {} 61.17426 1.00204 1.78193 ++ {0.0} {} 0.0 0.0590 0 {} 0 39 {} 4.25430 0.02765 0.04362 ++ {0.0} {} {} 2.87689 0.08414 0.11735 ++ {0.0} {} {} 61.16425 0.92417 1.38212 ++ {0.0} {} 0.0 0.0259 0 {} 0 40 {} 4.26247 0.02546 0.03005 ++ {0.0} {} {} 1.51457 0.10880 0.12641 ++ {0.0} {} {} 61.12479 0.98951 1.18036 ++ {0.0} {} 0.0 0.0162 0 {} 0 41 {} 4.25410 0.04104 0.06854 ++ {0.0} {} {} 3.19519 0.08587 0.19636 ++ {0.0} {} {} 59.07357 1.03466 1.93430 ++ {0.0} {} 0.0 0.1002 0 {} 0 42 {} 4.25410 0.04104 0.06854 ++ {0.0} {} {} 3.19519 0.08587 0.19636 ++ {0.0} {} {} 59.07357 1.03466 1.93430 ++ {0.0} {} 0.0 0.1002 0 {} 0 43 {} 4.13545 0.02183 0.02073 ++ {0.0} {} {} 0.92297 0.10971 0.10672 ++ {0.0} {} {} 60.07118 0.90229 0.85675 ++ {0.0} {} 0.0 0.0125 0 {} 0 44 {} 4.13059 0.01224 0.02763 ++ {0.0} {} {} 1.33533 0.08257 0.08365 ++ {0.0} {} {} 59.46459 1.29733 1.32520 ++ {0.0} {} 0.0 0.0134 0 {} 0 45 {} 4.13303 0.03965 0.05289 ++ {0.0} {} {} 1.76293 0.13938 0.22469 ++ {0.0} {} {} 59.89019 1.10156 1.58409 ++ {0.0} {} 0.0 0.0364 0 {} 0 46 {} 4.13418 0.03961 0.08628 ++ {0.0} {} {} 1.96697 0.15472 0.28201 ++ {0.0} {} {} 59.97362 1.10784 1.87034 ++ {0.0} {} 0.0 0.0656 0 {} 0 47 {} 4.12913 0.04383 0.06948 ++ {0.0} {} {} 3.18184 0.12035 0.18242 ++ {0.0} {} {} 60.25491 1.00168 1.64141 ++ {0.0} {} 0.0 0.0566 0 {} 0 48 {} 3.94292 0.04099 0.05479 ++ {0.0} {} {} 0.83976 0.07358 0.11095 ++ {0.0} {} {} 59.19267 1.16330 1.75824 ++ {0.0} {} 0.0 0.0418 0 {} 0 49 {} 3.94323 0.04289 0.07428 ++ {0.0} {} {} 1.89673 0.08156 0.14819 ++ {0.0} {} {} 59.18068 1.17777 2.93962 ++ {0.0} {} 0.0 0.1118 0 {} 0 50 {} 3.94145 0.03820 0.09404 ++ {0.0} {} {} 1.69944 0.11114 0.27588 ++ {0.0} {} {} 59.27637 1.57934 2.89102 ++ {0.0} {} 0.0 0.0868 0 {} 0 51 {} 3.86935 0.04483 0.06053 ++ {0.0} {} {} 1.69001 0.10658 0.16789 ++ {0.0} {} {} 58.49151 1.25502 1.97572 ++ {0.0} {} 0.0 0.0480 0 {} 0 52 {} 3.73727 0.04681 0.06299 ++ {0.0} {} {} 0.23266 0.08641 0.12012 ++ {0.0} {} {} 60.97498 1.16105 1.66496 ++ {0.0} {} 0.0 0.0361 0 {} 0 53 {} 3.72482 0.05146 0.06162 ++ {0.0} {} {} 0.75837 0.07789 0.10243 ++ {0.0} {} {} 61.01282 1.08247 1.44582 ++ {0.0} {} 0.0 0.0308 0 {} 0 54 {} 3.73321 0.03408 0.03035 ++ {0.0} {} {} 0.87598 0.07980 0.11400 ++ {0.0} {} {} 60.95164 1.16794 1.03271 ++ {0.0} {} 0.0 0.0183 0 {} 0 55 {} 3.73178 0.04241 0.05261 ++ {0.0} {} {} 0.98373 0.07011 0.08519 ++ {0.0} {} {} 60.99278 1.10696 1.35714 ++ {0.0} {} 0.0 0.0264 0 {} 0 56 {} 3.72401 0.04475 0.07000 ++ {0.0} {} {} 1.61517 0.12289 0.17556 ++ {0.0} {} {} 61.03886 1.11345 1.60960 ++ {0.0} {} 0.0 0.0369 0 {} 0 57 {} 3.73245 0.03318 0.04857 ++ {0.0} {} {} 1.87195 0.04490 0.14565 ++ {0.0} {} {} 61.05194 1.18195 1.70684 ++ {0.0} {} 0.0 0.0368 0 {} 0 58 {} 3.70081 0.02493 0.02651 ++ {0.0} {} {} 2.33278 0.08470 0.08963 ++ {0.0} {} {} 61.10395 1.11948 1.20694 ++ {0.0} {} 0.0 0.0222 0 {} 0 59 {} 3.84133 0.03519 0.04136 ++ {0.0} {} {} 4.78127 0.07815 0.09108 ++ {0.0} {} {} 60.08845 1.10825 1.38845 ++ {0.0} {} 0.0 0.0219 0 {} 0 60 {} 3.84700 0.03767 0.06702 ++ {0.0} {} {} 1.67563 0.12541 0.22265 ++ {0.0} {} {} 59.98513 1.80160 3.43742 ++ {0.0} {} 0.0 0.0450 0 {} 0 61 {} 3.84020 0.03901 0.05049 ++ {0.0} {} {} 2.04115 0.05104 0.14637 ++ {0.0} {} {} 60.35990 1.10361 1.58921 ++ {0.0} {} 0.0 0.0292 0 {} 0 62 {} 4.07383 0.03583 0.08187 ++ {0.0} {} {} 2.29005 0.13776 0.22572 ++ {0.0} {} {} 59.88330 1.06468 1.68496 ++ {0.0} {} 0.0 0.0392 0 {} 0 63 {} 4.07542 0.04502 0.06895 ++ {0.0} {} {} 2.48516 0.11172 0.15960 ++ {0.0} {} {} 59.26704 1.17700 1.87169 ++ {0.0} {} 0.0 0.0399 0 {} 0 64 {} 4.07632 0.04042 0.07167 ++ {0.0} {} {} 2.60775 0.11351 0.20408 ++ {0.0} {} {} 59.30630 1.04034 1.79671 ++ {0.0} {} 0.0 0.0599 0 {} 0 65 {} 4.07926 0.04942 0.06551 ++ {0.0} {} {} 3.33490 0.11100 0.12545 ++ {0.0} {} {} 59.85160 0.96287 1.15515 ++ {0.0} {} 0.0 0.0204 0 {} 0 66 {} 4.04087 0.04828 0.06896 ++ {0.0} {} {} 1.70695 0.12152 0.24888 ++ {0.0} {} {} 59.44684 1.22125 2.06789 ++ {0.0} {} 0.0 0.0533 0 {} 0 67 {} 4.03312 0.03357 0.05470 ++ {0.0} {} {} 1.94081 0.08546 0.14342 ++ {0.0} {} {} 59.89354 1.18234 1.95929 ++ {0.0} {} 0.0 0.1164 0 {} 0 68 {} 3.92715 0.03700 0.02534 ++ {0.0} {} {} 1.32593 0.09789 0.06835 ++ {0.0} {} {} 60.07718 1.29684 0.83820 ++ {0.0} {} 0.0 0.0295 0 {} 0 69 {} 3.99572 0.03747 0.05353 ++ {0.0} {} {} 2.16113 0.03894 0.12218 ++ {0.0} {} {} 59.26390 1.24725 1.76677 ++ {0.0} {} 0.0 0.0438 0 {} 0 70 {} 3.99271 0.02877 0.03668 ++ {0.0} {} {} 2.26921 0.04377 0.10973 ++ {0.0} {} {} 59.32640 1.22625 1.57633 ++ {0.0} {} 0.0 0.0358 0 {} 0 71 {} 3.98988 0.02406 0.01696 ++ {0.0} {} {} 2.49404 0.09392 0.06321 ++ {0.0} {} {} 59.36534 1.26778 0.76637 ++ {0.0} {} 0.0 0.0183 0 {} 0 72 {} 3.99887 0.03451 0.02161 ++ {0.0} {} {} 4.75584 0.06147 0.03424 ++ {0.0} {} {} 59.78212 0.98457 0.41502 ++ {0.0} {} 0.0 0.0162 0 {} 0 73 {} 4.24145 0.02450 0.02391 ++ {0.0} {} {} 2.53717 0.05948 0.12743 ++ {0.0} {} {} 59.17984 0.96687 0.93192 ++ {0.0} {} 0.0 0.0247 0 {} 0 74 {} 4.24001 0.04070 0.05189 ++ {0.0} {} {} 2.17140 0.09969 0.13985 ++ {0.0} {} {} 59.14934 1.12676 1.58485 ++ {0.0} {} 0.0 0.0430 0 {} 0 75 {} 4.23880 0.03961 0.05736 ++ {0.0} {} {} 2.02179 0.14258 0.21533 ++ {0.0} {} {} 59.20471 1.17016 1.58496 ++ {0.0} {} 0.0 0.0396 0 {} 0 76 {} 4.07956 0.03314 0.03675 ++ {0.0} {} {} 0.87851 0.09460 0.10552 ++ {0.0} {} {} 59.27953 1.64783 1.87519 ++ {0.0} {} 0.0 0.0296 0 {} 0 77 {} 3.57076 0.04096 0.06433 ++ {0.0} {} {} 0.46639 0.08608 0.17329 ++ {0.0} {} {} 58.22912 1.12389 2.08013 ++ {0.0} {} 0.0 0.1111 0 {} 0 78 {} 3.55061 0.04390 0.06649 ++ {0.0} {} {} 0.71683 0.09954 0.14847 ++ {0.0} {} {} 59.18298 1.23405 2.02642 ++ {0.0} {} 0.0 0.0598 0 {} 0 79 {} 3.55270 0.04292 0.05308 ++ {0.0} {} {} 2.43615 0.08642 0.10844 ++ {0.0} {} {} 59.13721 1.22979 1.56511 ++ {0.0} {} 0.0 0.0351 0 {} 0 80 {} 3.54215 0.02756 0.02592 ++ {0.0} {} {} 2.64163 0.04007 0.08223 ++ {0.0} {} {} 59.15721 1.13223 1.03939 ++ {0.0} {} 0.0 0.0236 0 {} 0 81 {} 3.55494 0.03197 0.03510 ++ {0.0} {} {} 2.77195 0.10350 0.11044 ++ {0.0} {} {} 59.18320 1.07848 1.17296 ++ {0.0} {} 0.0 0.0280 0 {} 0 82 {} 3.57180 0.03790 0.05994 ++ {0.0} {} {} 1.11437 0.08475 0.12608 ++ {0.0} {} {} 58.28291 1.14108 1.70297 ++ {0.0} {} 0.0 0.0322 0 {} 0 83 {18.HA} 3.56347 0.03131 0.02182 ++ {0.0} {} {18.HD11} -0.58695 0.08192 0.06272 ++ {0.0} {} {18.CA} 58.28057 1.70455 1.13171 ++ {0.0} {} 0.0 0.0122 0 {} 0 84 {} 3.54735 0.03840 0.06412 ++ {0.0} {} {} 1.63003 0.12727 0.21947 ++ {0.0} {} {} 59.17130 1.00039 1.69982 ++ {0.0} {} 0.0 0.0543 0 {} 0 85 {} 3.57332 0.04056 0.05348 ++ {0.0} {} {} 2.35390 0.11878 0.16174 ++ {0.0} {} {} 58.24255 1.15000 1.60206 ++ {0.0} {} 0.0 0.0269 0 {} 0 86 {} 3.83752 0.03754 0.05707 ++ {0.0} {} {} 1.88814 0.12151 0.27360 ++ {0.0} {} {} 60.18420 1.11797 1.99947 ++ {0.0} {} 0.0 0.0773 0 {} 0 87 {} 3.77035 0.03071 0.05228 ++ {0.0} {} {} 0.74970 0.08865 0.16548 ++ {0.0} {} {} 56.37674 1.13677 1.97823 ++ {0.0} {} 0.0 0.0629 0 {} 0 88 {} 3.76886 0.03291 0.04096 ++ {0.0} {} {} 1.34766 0.08778 0.12540 ++ {0.0} {} {} 56.35280 1.14837 1.63973 ++ {0.0} {} 0.0 0.0286 0 {} 0 89 {} 3.77817 0.04985 0.08771 ++ {0.0} {} {} 1.47552 0.08351 0.22572 ++ {0.0} {} {} 56.35670 1.30629 2.30114 ++ {0.0} {} 0.0 0.0837 0 {} 0 90 {54.HA} 3.39044 0.03352 0.02613 ++ {0.0} {} {54.HG3} -0.59796 0.07592 0.05952 ++ {0.0} {} {54.CA} 56.33116 0.95181 0.63658 ++ {0.0} {} 0.0 0.0123 0 {} 0 91 {54.HA} 3.40502 0.04412 0.06201 ++ {0.0} {} {54.HB3} -0.30386 0.08794 0.13597 ++ {0.0} {} {54.CA} 56.30510 1.18332 1.85216 ++ {0.0} {} 0.0 0.0376 0 {} 0 92 {54.HA} 3.41090 0.04903 0.04528 ++ {0.0} {} {54.HB2} 0.68630 0.08106 0.07356 ++ {0.0} {} {54.CA} 56.23952 1.38334 1.25114 ++ {0.0} {} 0.0 0.0149 0 {} 0 93 {} 3.40964 0.04355 0.03458 ++ {0.0} {} {} 1.79259 0.05120 0.08344 ++ {0.0} {} {} 56.34879 1.29505 0.85202 ++ {0.0} {} 0.0 0.0122 0 {} 0 94 {54.HA} 3.40294 0.03222 0.05340 ++ {0.0} {} {54.HD3} 1.92139 0.08599 0.12029 ++ {0.0} {} {54.CA} 56.27325 1.15175 1.62265 ++ {0.0} {} 0.0 0.0277 0 {} 0 95 {54.HA} 3.39601 0.04485 0.06911 ++ {0.0} {} {54.HD2} 2.35325 0.09243 0.16037 ++ {0.0} {} {54.CA} 56.32334 1.09729 1.88339 ++ {0.0} {} 0.0 0.0501 0 {} 0 96 {} 1.65227 0.04512 0.09375 ++ {0.0} {} {} 0.69585 0.11597 0.16783 ++ {0.0} {} {} 47.65216 1.00619 1.60700 ++ {0.0} {} 0.0 0.0325 0 {} 0 97 {} 1.64950 0.04739 0.07643 ++ {0.0} {} {} 0.92726 0.08647 0.12572 ++ {0.0} {} {} 47.70169 1.28580 2.52582 ++ {0.0} {} 0.0 0.0313 0 {} 0 98 {} 1.65196 0.06000 0.18411 ++ {0.0} {} {} 1.34497 0.08443 0.18681 ++ {0.0} {} {} 47.66689 1.12385 1.82154 ++ {0.0} {} 0.0 0.0940 0 {} 0 99 {} 1.64703 0.04790 0.04666 ++ {0.0} {} {} 2.64503 0.08886 0.08393 ++ {0.0} {} {} 47.70963 1.39315 1.29849 ++ {0.0} {} 0.0 0.0122 0 {} 0 100 {} 1.65145 0.05225 0.07165 ++ {0.0} {} {} 4.95443 0.08533 0.11321 ++ {0.0} {} {} 47.61281 0.99582 1.35359 ++ {0.0} {} 0.0 0.0204 0 {} 0 101 {} 1.34930 0.05227 0.07861 ++ {0.0} {} {} 0.71165 0.12999 0.19510 ++ {0.0} {} {} 47.67669 1.22170 2.02500 ++ {0.0} {} 0.0 0.0380 0 {} 0 102 {} 1.34933 0.04635 0.07142 ++ {0.0} {} {} 0.92457 0.08579 0.10912 ++ {0.0} {} {} 47.67722 1.16269 1.63233 ++ {0.0} {} 0.0 0.0219 0 {} 0 103 {} 1.34792 0.05283 0.12252 ++ {0.0} {} {} 1.64371 0.09906 0.26597 ++ {0.0} {} {} 47.68023 1.21116 3.64960 ++ {0.0} {} 0.0 0.1124 0 {} 0 104 {} 1.33734 0.03559 0.03737 ++ {0.0} {} {} 3.76734 0.06347 0.06820 ++ {0.0} {} {} 47.64830 1.02658 1.11456 ++ {0.0} {} 0.0 0.0143 0 {} 0 105 {L28.HB2} 1.52778 0.05333 0.11961 ++ {0.0} {} {L28.HB3} 1.25719 0.09832 0.31855 ++ {0.0} {} {L28.CB} 44.70886 1.59418 3.27943 ++ {0.0} {} 0.0 0.1096 0 {} 0 106 {} 1.52370 0.05502 0.08081 ++ {0.0} {} {} 0.23096 0.07315 0.13482 ++ {0.0} {} {} 44.71599 1.06164 1.79086 ++ {0.0} {} 0.0 0.0267 0 {} 0 107 {} 1.49059 0.04574 0.09380 ++ {0.0} {} {} 1.89210 0.09438 0.36815 ++ {0.0} {} {} 41.95720 1.09621 1.56602 ++ {0.0} {} 0.0 0.2178 0 {} 0 108 {} 1.25748 0.02577 0.04019 ++ {0.0} {} {} 1.90704 0.11132 0.14858 ++ {0.0} {} {} 44.69652 1.21213 1.79168 ++ {0.0} {} 0.0 0.0160 0 {} 0 109 {L28.HB3} 1.25668 0.04357 0.08184 ++ {0.0} {} {L28.HD11} 0.23420 0.08105 0.13761 ++ {0.0} {} {L28.CB} 44.78278 1.10137 1.83919 ++ {0.0} {} 0.0 0.0274 0 {} 0 110 {L28.HB3} 1.26428 0.03688 0.07188 ++ {0.0} {} {L28.HD21} 0.55932 0.08892 0.15026 ++ {0.0} {} {L28.CB} 44.70722 1.17867 1.86547 ++ {0.0} {} 0.0 0.0201 0 {} 0 111 {L28.HB3} 1.26179 0.06264 0.08268 ++ {0.0} {} {L28.HG} 0.69678 0.09415 0.13345 ++ {0.0} {} {L28.CB} 44.69553 1.26940 1.65321 ++ {0.0} {} 0.0 0.0120 0 {} 0 112 {L28.HB3} 1.25747 0.05181 0.12047 ++ {0.0} {} {L28.HB2} 1.52407 0.09543 0.23255 ++ {0.0} {} {L28.CB} 44.72184 1.18120 1.68743 ++ {0.0} {} 0.0 0.1080 0 {} 0 113 {} 1.53318 0.02194 0.03135 ++ {0.0} {} {} 4.68349 0.10003 0.14466 ++ {0.0} {} {} 44.69000 1.32673 2.03639 ++ {0.0} {} 0.0 0.0180 0 {} 0 114 {} 1.25232 0.05042 0.06862 ++ {0.0} {} {} 4.68495 0.08612 0.14963 ++ {0.0} {} {} 44.80930 1.06642 1.73422 ++ {0.0} {} 0.0 0.0224 0 {} 0 115 {} 1.52732 0.02194 0.03135 ++ {0.0} {} {} 0.56274 0.09256 0.11355 ++ {0.0} {} {} 44.78027 0.93867 1.18080 ++ {0.0} {} 0.0 0.0176 0 {} 0 116 {} 1.49059 0.04574 0.09027 ++ {0.0} {} {} 1.89210 0.09438 0.32846 ++ {0.0} {} {} 41.95720 1.09621 1.56602 ++ {0.0} {} 0.0 0.2178 0 {} 0 117 {} 1.49059 0.04574 0.09027 ++ {0.0} {} {} 1.89210 0.09438 0.32846 ++ {0.0} {} {} 41.95720 1.09621 1.56602 ++ {0.0} {} 0.0 0.2178 0 {} 0 118 {} 1.53873 0.04802 0.08601 ++ {0.0} {} {} 1.71071 0.08732 0.15598 ++ {0.0} {} {} 42.87270 1.23413 1.76304 ++ {0.0} {} 0.0 0.0750 0 {} 0 119 {} 1.52321 0.02282 0.02683 ++ {0.0} {} {} 1.72996 0.07922 0.10953 ++ {0.0} {} {} 45.88243 1.46198 1.92746 ++ {0.0} {} 0.0 0.0123 0 {} 0 120 {} 1.52289 0.02194 0.03135 ++ {0.0} {} {} 0.75138 0.09256 0.09853 ++ {0.0} {} {} 44.78027 0.93867 1.00667 ++ {0.0} {} 0.0 0.0176 0 {} 0 121 {} 1.53989 0.06631 0.11943 ++ {0.0} {} {} 0.69955 0.10539 0.20438 ++ {0.0} {} {} 42.91688 1.71135 2.44478 ++ {0.0} {} 0.0 0.0470 0 {} 0 122 {} 1.70982 0.05940 0.14780 ++ {0.0} {} {} 0.70224 0.09432 0.17161 ++ {0.0} {} {} 42.85705 1.18887 2.39358 ++ {0.0} {} 0.0 0.0496 0 {} 0 123 {} 1.71042 0.05132 0.10397 ++ {0.0} {} {} 0.93112 0.12874 0.19855 ++ {0.0} {} {} 42.08067 1.10397 2.02932 ++ {0.0} {} 0.0 0.0647 0 {} 0 124 {} 1.47580 0.02402 0.03832 ++ {0.0} {} {} 2.82153 0.07325 0.14037 ++ {0.0} {} {} 42.00857 1.02393 1.63797 ++ {0.0} {} 0.0 0.1871 0 {} 0 125 {} 1.49096 0.05164 0.08826 ++ {0.0} {} {} 0.89915 0.09305 0.17253 ++ {0.0} {} {} 41.94679 1.05089 1.90537 ++ {0.0} {} 0.0 0.0560 0 {} 0 126 {} 1.49290 0.03998 0.08206 ++ {0.0} {} {} 3.96950 0.07255 0.14415 ++ {0.0} {} {} 41.94761 1.07245 1.84273 ++ {0.0} {} 0.0 0.0371 0 {} 0 127 {} 1.71511 0.05924 0.10619 ++ {0.0} {} {} 4.25981 0.08429 0.16045 ++ {0.0} {} {} 42.06478 1.23669 2.69321 ++ {0.0} {} 0.0 0.0401 0 {} 0 128 {} 1.71219 0.03005 0.03441 ++ {0.0} {} {} 3.91491 0.09208 0.10117 ++ {0.0} {} {} 41.97448 1.21814 1.36480 ++ {0.0} {} 0.0 0.0119 0 {} 0 129 {} 1.72181 0.02832 0.04450 ++ {0.0} {} {} 3.02664 0.07954 0.16580 ++ {0.0} {} {} 42.03013 1.05168 1.50241 ++ {0.0} {} 0.0 0.5048 0 {} 0 130 {} 1.89375 0.05324 0.09064 ++ {0.0} {} {} 0.89866 0.08947 0.16693 ++ {0.0} {} {} 41.94679 1.12576 1.79293 ++ {0.0} {} 0.0 0.0518 0 {} 0 131 {} 1.88982 0.03266 0.06772 ++ {0.0} {} {} 3.96236 0.09194 0.15305 ++ {0.0} {} {} 41.90319 0.97204 1.57652 ++ {0.0} {} 0.0 0.0277 0 {} 0 132 {} 1.90466 0.01317 0.01881 ++ {0.0} {} {} 4.26183 0.07086 0.09348 ++ {0.0} {} {} 41.93720 1.53895 2.06326 ++ {0.0} {} 0.0 0.0159 0 {} 0 133 {} 1.70821 0.02624 0.03231 ++ {0.0} {} {} 2.47065 0.11092 0.12614 ++ {0.0} {} {} 42.89485 1.14707 1.40261 ++ {0.0} {} 0.0 0.0108 0 {} 0 134 {} 1.72415 0.03495 0.03766 ++ {0.0} {} {} 1.33991 0.11496 0.16423 ++ {0.0} {} {} 42.82085 2.14808 2.50854 ++ {0.0} {} 0.0 0.0102 0 {} 0 135 {54.HD3} 1.92645 0.05406 0.11943 ++ {0.0} {} {54.HD2} 2.35574 0.09548 0.19680 ++ {0.0} {} {54.CD} 40.37171 1.02485 1.91425 ++ {0.0} {} 0.0 0.0633 0 {} 0 136 {54.HD3} 1.91690 0.05692 0.08303 ++ {0.0} {} {54.HG2} -0.30462 0.09373 0.13517 ++ {0.0} {} {54.CD} 40.38569 1.07204 1.69356 ++ {0.0} {} 0.0 0.0199 0 {} 0 137 {54.HD3} 1.91081 0.02194 0.03135 ++ {0.0} {} {54.HG3} -0.60850 0.10511 0.10201 ++ {0.0} {} {54.CD} 40.29391 0.95017 0.91132 ++ {0.0} {} 0.0 0.0080 0 {} 0 138 {54.HD3} 1.91873 0.04174 0.05956 ++ {0.0} {} {54.HA} 3.39287 0.08266 0.12560 ++ {0.0} {} {54.CD} 40.45481 1.05134 1.63284 ++ {0.0} {} 0.0 0.0187 0 {} 0 139 {} 1.89562 0.05897 0.19436 ++ {0.0} {} {} 0.85039 0.08208 0.32262 ++ {0.0} {} {} 38.21213 1.11144 1.58776 ++ {0.0} {} 0.0 0.1132 0 {} 0 140 {} 1.89490 0.04118 0.09178 ++ {0.0} {} {} 1.48825 0.09034 0.25391 ++ {0.0} {} {} 41.95474 1.09786 1.56837 ++ {0.0} {} 0.0 0.2267 0 {} 0 141 {54.HD2} 2.35589 0.01516 0.01455 ++ {0.0} {} {54.HG3} -0.62304 0.08361 0.08196 ++ {0.0} {} {54.CD} 40.45481 1.62644 1.58190 ++ {0.0} {} 0.0 0.0081 0 {} 0 142 {54.HD2} 2.36169 0.03072 0.04389 ++ {0.0} {} {54.HG2} -0.29818 0.07838 0.13064 ++ {0.0} {} {54.CD} 40.45481 1.19443 1.80687 ++ {0.0} {} 0.0 0.0172 0 {} 0 143 {54.HD2} 2.35462 0.05648 0.12865 ++ {0.0} {} {54.HD3} 1.92468 0.09438 0.27588 ++ {0.0} {} {54.CD} 40.34890 1.13866 3.14578 ++ {0.0} {} 0.0 0.0683 0 {} 0 144 {54.HD2} 2.36540 0.05114 0.12601 ++ {0.0} {} {54.HA} 3.40126 0.07760 0.12643 ++ {0.0} {} {54.CD} 40.45481 1.34091 3.16417 ++ {0.0} {} 0.0 0.0258 0 {} 0 145 {} 1.91899 0.04686 0.07678 ++ {0.0} {} {} 4.80614 0.08684 0.12169 ++ {0.0} {} {} 40.25653 0.86883 1.33976 ++ {0.0} {} 0.0 0.0183 -1 {} 0 146 {} 2.74985 0.04261 0.05251 ++ {0.0} {} {} 1.31241 0.08619 0.10523 ++ {0.0} {} {} 40.11287 0.92749 1.24545 ++ {0.0} {} 0.0 0.0127 0 {} 0 147 {} 2.74453 0.04693 0.09358 ++ {0.0} {} {} 3.11362 0.08884 0.18335 ++ {0.0} {} {} 40.14021 1.01840 1.98543 ++ {0.0} {} 0.0 0.1660 0 {} 0 148 {} 2.73028 0.04211 0.05364 ++ {0.0} {} {} 4.73233 0.08457 0.11961 ++ {0.0} {} {} 41.00360 1.32163 2.04793 ++ {0.0} {} 0.0 0.0186 0 {} 0 149 {} 2.74559 0.03265 0.04389 ++ {0.0} {} {} 4.95217 0.07248 0.12006 ++ {0.0} {} {} 40.16721 1.16011 1.90365 ++ {0.0} {} 0.0 0.0233 0 {} 0 150 {13.HB3} 2.89049 0.05023 0.09626 ++ {0.0} {} {13.HB2} 3.35809 0.08359 0.16280 ++ {0.0} {} {13.CB} 39.63922 1.10764 1.58235 ++ {0.0} {} 0.0 0.1110 0 {} 0 151 {13.HB3} 2.89563 0.05140 0.07419 ++ {0.0} {} {13.HA} 4.25161 0.08476 0.12959 ++ {0.0} {} {13.CB} 39.88222 1.25418 2.06630 ++ {0.0} {} 0.0 0.0237 0 {} 0 152 {} 2.89043 0.04819 0.10209 ++ {0.0} {} {} 4.60106 0.07565 0.16794 ++ {0.0} {} {} 41.03543 1.15262 3.51973 ++ {0.0} {} 0.0 0.0631 0 {} 0 153 {} 3.17569 0.05950 0.08150 ++ {0.0} {} {} 4.22942 0.10191 0.13473 ++ {0.0} {} {} 39.16614 1.20851 1.88296 ++ {0.0} {} 0.0 0.0167 0 {} 0 154 {} 3.09724 0.04849 0.05460 ++ {0.0} {} {} 4.23193 0.08978 0.11092 ++ {0.0} {} {} 39.21088 1.26790 1.67442 ++ {0.0} {} 0.0 0.0123 0 {} 0 155 {} 3.16685 0.08338 0.11912 ++ {0.0} {} {} 4.63476 0.08688 0.12127 ++ {0.0} {} {} 39.20202 1.19185 1.78279 ++ {0.0} {} 0.0 0.0166 0 {} 0 156 {} 3.09230 0.05406 0.07723 ++ {0.0} {} {} 4.63781 0.08454 0.12718 ++ {0.0} {} {} 39.11317 0.93865 1.45513 ++ {0.0} {} 0.0 0.0186 0 {} 0 157 {} 3.12796 0.02563 0.02324 ++ {0.0} {} {} 1.31289 0.07792 0.07255 ++ {0.0} {} {} 40.20491 0.92543 0.82615 ++ {0.0} {} 0.0 0.0094 0 {} 0 158 {} 3.11913 0.02194 0.03135 ++ {0.0} {} {} 1.62900 0.08628 0.07281 ++ {0.0} {} {} 40.28475 1.22116 0.95918 ++ {0.0} {} 0.0 0.0086 0 {} 0 159 {} 3.13314 0.02619 0.04454 ++ {0.0} {} {} 3.29267 0.07110 0.14432 ++ {0.0} {} {} 39.13946 1.08971 1.55672 ++ {0.0} {} 0.0 0.5734 0 {} 0 160 {} 3.12843 0.03072 0.04389 ++ {0.0} {} {} 4.95288 0.07080 0.11900 ++ {0.0} {} {} 40.13670 1.04205 1.75069 ++ {0.0} {} 0.0 0.0327 0 {} 0 161 {} 3.56997 0.05760 0.11382 ++ {0.0} {} {} 3.55570 0.07732 0.27588 ++ {0.0} {} {} 39.91209 1.05927 2.02598 ++ {0.0} {} 0.0 0.0958 0 {} 0 162 {} 3.57234 0.05615 0.10069 ++ {0.0} {} {} 3.82068 0.09028 0.14320 ++ {0.0} {} {} 39.89975 1.19104 2.04387 ++ {0.0} {} 0.0 0.0295 0 {} 0 163 {} 3.57987 0.02934 0.03116 ++ {0.0} {} {} 4.75589 0.09972 0.10731 ++ {0.0} {} {} 40.03533 0.98234 1.10126 ++ {0.0} {} 0.0 0.0095 0 {} 0 164 {} 3.31521 0.05313 0.10081 ++ {0.0} {} {} 3.56278 0.09654 0.19763 ++ {0.0} {} {} 39.90269 1.14885 3.13959 ++ {0.0} {} 0.0 0.0708 0 {} 0 165 {} 3.31914 0.03929 0.07426 ++ {0.0} {} {} 3.81463 0.08361 0.13906 ++ {0.0} {} {} 40.04684 1.18243 1.86554 ++ {0.0} {} 0.0 0.0313 0 {} 0 166 {53.HB2} 2.62172 0.05575 0.07504 ++ {0.0} {} {53.HA} 4.31065 0.07511 0.12595 ++ {0.0} {} {53.CB} 37.93774 1.07465 1.76234 ++ {0.0} {} 0.0 0.0232 0 {} 0 167 {53.HB2} 2.62367 0.01528 0.04337 ++ {0.0} {} {50.HA} 3.93352 0.09678 0.13739 ++ {0.0} {} {53.CB} 38.04057 0.83449 1.22058 ++ {0.0} {} 0.0 0.0156 0 {} 0 168 {53.HB3} 2.43777 0.05066 0.08240 ++ {0.0} {} {53.HA} 4.31473 0.09278 0.16948 ++ {0.0} {} {53.CB} 37.96169 1.21316 2.02508 ++ {0.0} {} 0.0 0.0253 0 {} 0 169 {} 2.35607 0.04686 0.07678 ++ {0.0} {} {} 4.77741 0.08684 0.12169 ++ {0.0} {} {} 40.25653 0.86883 1.33976 ++ {0.0} {} 0.0 0.0183 -1 {} 0 170 {} 1.97252 0.04626 0.09559 ++ {0.0} {} {} 4.06749 0.07435 0.12014 ++ {0.0} {} {} 38.19822 1.16937 2.46619 ++ {0.0} {} 0.0 0.0280 0 {} 0 171 {} 1.96375 0.03548 0.06225 ++ {0.0} {} {} 3.84701 0.07380 0.14148 ++ {0.0} {} {} 38.19954 1.06233 1.87504 ++ {0.0} {} 0.0 0.0337 0 {} 0 172 {} 1.76539 0.04428 0.06414 ++ {0.0} {} {} 3.72900 0.10272 0.17677 ++ {0.0} {} {} 38.12198 1.08506 1.77639 ++ {0.0} {} 0.0 0.0231 0 {} 0 173 {} 1.76641 0.04751 0.07411 ++ {0.0} {} {} 3.88436 0.09220 0.19146 ++ {0.0} {} {} 38.15906 1.27819 3.31853 ++ {0.0} {} 0.0 0.0269 0 {} 0 174 {} 1.76225 0.04364 0.10090 ++ {0.0} {} {} 0.76039 0.08791 0.17556 ++ {0.0} {} {} 38.14249 1.15871 2.41346 ++ {0.0} {} 0.0 0.0504 0 {} 0 175 {} 1.76367 0.04433 0.08410 ++ {0.0} {} {} 0.87652 0.07930 0.17556 ++ {0.0} {} {} 38.12937 1.14666 1.84708 ++ {0.0} {} 0.0 0.0534 0 {} 0 176 {} 1.75641 0.02521 0.03474 ++ {0.0} {} {} 1.14574 0.08833 0.14961 ++ {0.0} {} {} 38.07971 1.11909 1.68106 ++ {0.0} {} 0.0 0.0168 0 {} 0 177 {} 1.97099 0.04483 0.08919 ++ {0.0} {} {} 1.32324 0.08887 0.15276 ++ {0.0} {} {} 38.18667 1.02141 1.71175 ++ {0.0} {} 0.0 0.0258 0 {} 0 178 {} 1.89852 0.05652 0.10290 ++ {0.0} {} {} 3.93392 0.07259 0.11863 ++ {0.0} {} {} 38.27959 1.07294 1.75916 ++ {0.0} {} 0.0 0.0232 0 {} 0 179 {} 1.89696 0.04561 0.07167 ++ {0.0} {} {} 3.54856 0.08683 0.13674 ++ {0.0} {} {} 38.18826 1.26254 3.42859 ++ {0.0} {} 0.0 0.0251 0 {} 0 180 {} 2.35748 0.04329 0.06289 ++ {0.0} {} {} 1.46702 0.07533 0.09979 ++ {0.0} {} {} 38.07687 1.04844 1.53173 ++ {0.0} {} 0.0 0.0155 0 {} 0 181 {} 2.34208 0.03081 0.04406 ++ {0.0} {} {} 1.73648 0.07878 0.20365 ++ {0.0} {} {} 38.08394 0.90432 1.29586 ++ {0.0} {} 0.0 0.0148 0 {} 0 182 {} 2.35654 0.05114 0.12601 ++ {0.0} {} {} 3.24323 0.07760 0.12643 ++ {0.0} {} {} 40.82263 1.34091 3.16417 ++ {0.0} {} 0.0 0.0258 -1 {} 0 183 {} 2.35300 0.02522 0.04199 ++ {0.0} {} {} 3.69054 0.06827 0.11711 ++ {0.0} {} {} 38.15570 1.05443 1.62868 ++ {0.0} {} 0.0 0.0184 0 {} 0 184 {} 2.36540 0.05114 0.12601 ++ {0.0} {} {} 3.11394 0.07760 0.12643 ++ {0.0} {} {} 40.82263 1.34091 3.16417 ++ {0.0} {} 0.0 0.0258 -1 {} 0 185 {} 0.49504 0.06040 0.09471 ++ {0.0} {} {} -0.58392 0.08060 0.12499 ++ {0.0} {} {} 37.49536 1.07470 1.77620 ++ {0.0} {} 0.0 0.0241 0 {} 0 186 {} 0.49885 0.04232 0.07405 ++ {0.0} {} {} 1.11785 0.09372 0.13890 ++ {0.0} {} {} 37.41364 1.20245 1.81669 ++ {0.0} {} 0.0 0.0171 0 {} 0 187 {} 0.49518 0.02194 0.03135 ++ {0.0} {} {} 3.40613 0.08115 0.11449 ++ {0.0} {} {} 37.36073 1.01734 1.50390 ++ {0.0} {} 0.0 0.0160 0 {} 0 188 {18.HB3} 0.48973 0.02827 0.03630 ++ {0.0} {} {18.HA} 3.56483 0.07874 0.11054 ++ {0.0} {} {18.CB} 37.36756 1.06603 1.60578 ++ {0.0} {} 0.0 0.0170 0 {} 0 189 {} 0.88444 0.02995 0.08096 ++ {0.0} {} {} 1.32943 0.09946 0.37316 ++ {0.0} {} {} 13.25096 1.16227 1.66038 ++ {0.0} {} 0.0 0.1000 0 {} 0 190 {} 0.75362 0.03127 0.07506 ++ {0.0} {} {} 3.75743 0.09135 0.17061 ++ {0.0} {} {} 13.24900 1.56522 3.73484 ++ {0.0} {} 0.0 0.0639 0 {} 0 191 {} 0.75970 0.01781 0.03639 ++ {0.0} {} {} 3.88826 0.07900 0.14968 ++ {0.0} {} {} 14.22757 1.01952 1.75164 ++ {0.0} {} 0.0 0.0371 0 {} 0 192 {} 0.88275 0.03950 0.05643 ++ {0.0} {} {} 1.74275 0.11416 0.31945 ++ {0.0} {} {} 13.18688 1.28494 1.83564 ++ {0.0} {} 0.0 0.1031 0 {} 0 193 {} 0.88329 0.03162 0.06239 ++ {0.0} {} {} 1.95958 0.09192 0.27588 ++ {0.0} {} {} 13.23677 1.15715 2.08606 ++ {0.0} {} 0.0 0.0530 0 {} 0 194 {} 0.88030 0.01572 0.01996 ++ {0.0} {} {} 2.62797 0.11851 0.14050 ++ {0.0} {} {} 13.37827 1.44930 1.75026 ++ {0.0} {} 0.0 0.0132 0 {} 0 195 {} 0.87951 0.02483 0.03727 ++ {0.0} {} {} 3.25444 0.09296 0.12692 ++ {0.0} {} {} 13.34001 1.39883 1.93293 ++ {0.0} {} 0.0 0.0169 0 {} 0 196 {} 0.88421 0.02374 0.03211 ++ {0.0} {} {} 3.85846 0.06614 0.09093 ++ {0.0} {} {} 13.24015 0.99210 1.41615 ++ {0.0} {} 0.0 0.0183 0 {} 0 197 {} 0.88487 0.02049 0.03417 ++ {0.0} {} {} 4.05353 0.07415 0.11864 ++ {0.0} {} {} 13.24902 1.02020 1.54647 ++ {0.0} {} 0.0 0.0216 0 {} 0 198 {} 0.75356 0.03089 0.06433 ++ {0.0} {} {} 0.46332 0.07522 0.14758 ++ {0.0} {} {} 13.44139 1.70778 2.46161 ++ {0.0} {} 0.0 0.0562 0 {} 0 199 {} 0.75437 0.03443 0.09804 ++ {0.0} {} {} 1.52065 0.17031 0.27588 ++ {0.0} {} {} 13.23082 1.74287 3.53163 ++ {0.0} {} 0.0 0.1028 0 {} 0 200 {} 0.75160 0.02427 0.05777 ++ {0.0} {} {} 2.15046 0.08486 0.14317 ++ {0.0} {} {} 13.23186 1.15140 1.96032 ++ {0.0} {} 0.0 0.0281 0 {} 0 201 {} 0.75946 0.01772 0.03749 ++ {0.0} {} {} 3.56973 0.06896 0.11659 ++ {0.0} {} {} 14.24928 0.87763 1.46893 ++ {0.0} {} 0.0 0.0257 0 {} 0 202 {} 0.75895 0.02901 0.05695 ++ {0.0} {} {} 2.44543 0.17950 0.52633 ++ {0.0} {} {} 14.32740 1.13801 3.14578 ++ {0.0} {} 0.0 0.0562 0 {} 0 203 {} 0.76005 0.02473 0.06142 ++ {0.0} {} {} 1.12973 0.09309 0.15710 ++ {0.0} {} {} 14.30722 1.07074 1.77419 ++ {0.0} {} 0.0 0.1319 0 {} 0 204 {} 0.76171 0.02402 0.05765 ++ {0.0} {} {} 0.23500 0.08347 0.15756 ++ {0.0} {} {} 14.32834 0.99482 1.90200 ++ {0.0} {} 0.0 0.0530 -1 {} 0 205 {} 0.83700 0.02577 0.04741 ++ {0.0} {} {} 3.53860 0.06952 0.11508 ++ {0.0} {} {} 13.47217 0.98844 1.61576 ++ {0.0} {} 0.0 0.0229 0 {} 0 206 {} 0.83783 0.02515 0.05237 ++ {0.0} {} {} 3.93481 0.08368 0.16939 ++ {0.0} {} {} 13.54451 1.12841 1.97989 ++ {0.0} {} 0.0 0.0341 0 {} 0 207 {} 0.84676 0.03354 0.05390 ++ {0.0} {} {} 3.22838 0.09461 0.14432 ++ {0.0} {} {} 13.47176 1.31374 1.98017 ++ {0.0} {} 0.0 0.0170 0 {} 0 208 {} 0.83843 0.03117 0.07238 ++ {0.0} {} {} 1.88695 0.11919 0.17027 ++ {0.0} {} {} 13.57207 1.11435 2.01473 ++ {0.0} {} 0.0 0.0681 0 {} 0 209 {} 0.83693 0.02386 0.03210 ++ {0.0} {} {} 2.05571 0.05568 0.06985 ++ {0.0} {} {} 13.54414 1.08946 1.38338 ++ {0.0} {} 0.0 0.0179 0 {} 0 210 {} 0.83717 0.03201 0.05643 ++ {0.0} {} {} 1.73950 0.11253 0.19741 ++ {0.0} {} {} 13.59155 1.23803 3.31840 ++ {0.0} {} 0.0 0.1399 0 {} 0 211 {} 0.83717 0.03201 0.05643 ++ {0.0} {} {} 1.73950 0.11253 0.19741 ++ {0.0} {} {} 13.59155 1.23803 3.31840 ++ {0.0} {} 0.0 0.1399 0 {} 0 212 {} 0.94562 0.01695 0.02350 ++ {0.0} {} {} 1.25388 0.07315 0.11544 ++ {0.0} {} {} 13.62839 1.20824 2.20743 ++ {0.0} {} 0.0 0.0333 0 {} 0 213 {} 0.75374 0.01575 0.02758 ++ {0.0} {} {} -0.59443 0.04144 0.07280 ++ {0.0} {} {} 13.32109 1.05622 1.59459 ++ {0.0} {} 0.0 0.0171 0 {} 0 214 {} 2.10468 0.03089 0.04532 ++ {0.0} {} {} 1.45070 0.07442 0.20203 ++ {0.0} {} {} 17.28448 1.10520 1.90651 ++ {0.0} {} 0.0 0.0554 0 {} 0 215 {} 2.11092 0.01278 0.02060 ++ {0.0} {} {} 2.65473 0.12289 0.17556 ++ {0.0} {} {} 17.13209 1.15937 1.84485 ++ {0.0} {} 0.0 0.0164 0 {} 0 216 {} 2.10758 0.00887 0.01554 ++ {0.0} {} {} 3.02519 0.09319 0.20260 ++ {0.0} {} {} 17.19748 0.88516 1.40409 ++ {0.0} {} 0.0 0.0162 0 {} 0 217 {} 2.11114 0.01315 0.02129 ++ {0.0} {} {} 4.29389 0.10126 0.14966 ++ {0.0} {} {} 17.18688 1.14981 2.02875 ++ {0.0} {} 0.0 0.0227 0 {} 0 218 {} 1.47221 0.03178 0.07685 ++ {0.0} {} {} 0.74999 0.08778 0.12540 ++ {0.0} {} {} 17.29866 1.06389 1.89948 ++ {0.0} {} 0.0 0.0616 0 {} 0 219 {} 1.47959 0.02973 0.04296 ++ {0.0} {} {} 1.01937 0.10458 0.22572 ++ {0.0} {} {} 17.33942 1.05321 1.93267 ++ {0.0} {} 0.0 0.0406 0 {} 0 220 {} 1.46601 0.02676 0.04300 ++ {0.0} {} {} 0.85532 0.08869 0.16952 ++ {0.0} {} {} 17.21491 1.01371 1.44815 ++ {0.0} {} 0.0 0.0951 0 {} 0 221 {} 1.47590 0.03172 0.05691 ++ {0.0} {} {} 2.33502 0.09488 0.17705 ++ {0.0} {} {} 17.35524 0.97965 1.63303 ++ {0.0} {} 0.0 0.0201 0 {} 0 222 {} 1.47375 0.02831 0.05467 ++ {0.0} {} {} 2.04627 0.08344 0.15365 ++ {0.0} {} {} 17.26708 1.16045 1.85393 ++ {0.0} {} 0.0 0.0349 0 {} 0 223 {} 1.46637 0.01317 0.01881 ++ {0.0} {} {} 3.31322 0.03711 0.09979 ++ {0.0} {} {} 17.30657 1.19619 1.53443 ++ {0.0} {} 0.0 0.0093 0 {} 0 224 {} 1.47298 0.02794 0.05740 ++ {0.0} {} {} 3.54315 0.08439 0.18915 ++ {0.0} {} {} 17.26789 1.06128 2.02403 ++ {0.0} {} 0.0 0.0721 0 {} 0 225 {} 1.47315 0.02937 0.07167 ++ {0.0} {} {} 3.75845 0.10966 0.32604 ++ {0.0} {} {} 17.28994 1.06562 1.89208 ++ {0.0} {} 0.0 0.1216 0 {} 0 226 {} 1.47265 0.02005 0.02807 ++ {0.0} {} {} 4.48720 0.11613 0.20668 ++ {0.0} {} {} 17.20414 0.95368 1.44392 ++ {0.0} {} 0.0 0.0138 0 {} 0 227 {} 1.47434 0.01907 0.03142 ++ {0.0} {} {} 4.64266 0.07408 0.10876 ++ {0.0} {} {} 17.28744 0.93908 1.58766 ++ {0.0} {} 0.0 0.0216 0 {} 0 228 {} 1.47596 0.02705 0.06387 ++ {0.0} {} {} 1.73678 0.08778 0.12540 ++ {0.0} {} {} 17.21106 1.19109 1.88730 ++ {0.0} {} 0.0 0.0306 0 {} 0 229 {} 1.02542 0.02569 0.06098 ++ {0.0} {} {} 1.33788 0.12225 0.22572 ++ {0.0} {} {} 17.25701 1.07801 2.07495 ++ {0.0} {} 0.0 0.0825 0 {} 0 230 {} 0.86553 0.02256 0.03908 ++ {0.0} {} {} 1.47563 0.08380 0.22572 ++ {0.0} {} {} 17.29787 1.06758 1.90357 ++ {0.0} {} 0.0 0.0627 0 {} 0 231 {} 1.02613 0.02402 0.06545 ++ {0.0} {} {} 1.74748 0.10924 0.22572 ++ {0.0} {} {} 17.27975 1.05099 1.96711 ++ {0.0} {} 0.0 0.0522 0 {} 0 232 {} 1.02677 0.02558 0.09620 ++ {0.0} {} {} 1.95994 0.08180 0.25121 ++ {0.0} {} {} 17.27760 1.09342 1.80429 ++ {0.0} {} 0.0 0.1091 0 {} 0 233 {} 0.88251 0.03600 0.11450 ++ {0.0} {} {} 1.74830 0.14513 0.27360 ++ {0.0} {} {} 18.17456 1.23312 1.76159 ++ {0.0} {} 0.0 0.1019 0 {} 0 234 {} 0.85191 0.03105 0.05517 ++ {0.0} {} {} 2.29406 0.12174 0.22356 ++ {0.0} {} {} 17.25920 1.01546 1.64542 ++ {0.0} {} 0.0 0.0176 0 {} 0 235 {} 1.02590 0.01777 0.03511 ++ {0.0} {} {} 2.18441 0.02803 0.10027 ++ {0.0} {} {} 17.23291 0.97587 1.69184 ++ {0.0} {} 0.0 0.0251 0 {} 0 236 {} 1.02255 0.01672 0.02567 ++ {0.0} {} {} 2.61190 0.10385 0.21981 ++ {0.0} {} {} 17.19207 0.90663 1.47840 ++ {0.0} {} 0.0 0.0181 0 {} 0 237 {} 1.02681 0.01819 0.02280 ++ {0.0} {} {} 3.25066 0.09061 0.11693 ++ {0.0} {} {} 17.33624 0.94110 1.27169 ++ {0.0} {} 0.0 0.0103 0 {} 0 238 {} 1.02525 0.02561 0.06150 ++ {0.0} {} {} 3.85574 0.10242 0.22386 ++ {0.0} {} {} 17.26842 1.07978 2.06594 ++ {0.0} {} 0.0 0.0772 0 {} 0 239 {} 0.85684 0.02565 0.06836 ++ {0.0} {} {} 3.54267 0.08504 0.28182 ++ {0.0} {} {} 17.26953 1.12554 1.97093 ++ {0.0} {} 0.0 0.0783 0 {} 0 240 {} 0.88073 0.02560 0.07388 ++ {0.0} {} {} 3.88596 0.08311 0.18341 ++ {0.0} {} {} 18.16458 1.03229 3.06444 ++ {0.0} {} 0.0 0.0764 0 {} 0 241 {} 1.02841 0.02264 0.03483 ++ {0.0} {} {} 4.04959 0.08628 0.12325 ++ {0.0} {} {} 17.23759 0.97320 1.66217 ++ {0.0} {} 0.0 0.0229 0 {} 0 242 {} 0.85958 0.01663 0.04090 ++ {0.0} {} {} 4.05378 0.09197 0.15636 ++ {0.0} {} {} 17.27485 0.87950 1.47988 ++ {0.0} {} 0.0 0.0211 0 {} 0 243 {} 1.59977 0.03536 0.05572 ++ {0.0} {} {} 0.73189 0.07782 0.17556 ++ {0.0} {} {} 18.93237 1.09261 1.91781 ++ {0.0} {} 0.0 0.0274 0 {} 0 244 {} 1.60014 0.02847 0.05559 ++ {0.0} {} {} 1.95197 0.11094 0.27588 ++ {0.0} {} {} 18.82622 1.22449 3.38742 ++ {0.0} {} 0.0 0.0296 0 {} 0 245 {} 1.60278 0.02529 0.03789 ++ {0.0} {} {} 3.30542 0.13545 0.18438 ++ {0.0} {} {} 19.08976 1.24705 1.68752 ++ {0.0} {} 0.0 0.0104 0 {} 0 246 {} 1.60108 0.03130 0.07775 ++ {0.0} {} {} 3.88343 0.08535 0.18624 ++ {0.0} {} {} 18.84656 1.10416 2.06321 ++ {0.0} {} 0.0 0.0510 0 {} 0 247 {} 1.60148 0.03478 0.10351 ++ {0.0} {} {} 4.17723 0.07731 0.30934 ++ {0.0} {} {} 18.90242 1.10690 3.31568 ++ {0.0} {} 0.0 0.0985 0 {} 0 248 {} 0.98369 0.02701 0.06247 ++ {0.0} {} {} 0.23030 0.09146 0.25610 ++ {0.0} {} {} 19.15236 1.00986 1.99238 ++ {0.0} {} 0.0 0.0811 0 {} 0 249 {} 0.98537 0.02447 0.05033 ++ {0.0} {} {} 0.45795 0.08680 0.17556 ++ {0.0} {} {} 19.13056 1.00518 1.84990 ++ {0.0} {} 0.0 0.0419 0 {} 0 250 {} 0.98518 0.02538 0.06458 ++ {0.0} {} {} 1.55536 0.19852 0.31335 ++ {0.0} {} {} 19.13380 1.07948 1.73987 ++ {0.0} {} 0.0 0.0946 0 {} 0 251 {} 0.98418 0.03063 0.11134 ++ {0.0} {} {} 2.15479 0.09578 0.31418 ++ {0.0} {} {} 19.16238 1.04755 1.73665 ++ {0.0} {} 0.0 0.0956 0 {} 0 252 {} 0.98359 0.02589 0.03817 ++ {0.0} {} {} 3.33449 0.11104 0.15593 ++ {0.0} {} {} 19.17130 1.17705 1.68213 ++ {0.0} {} 0.0 0.0117 0 {} 0 253 {} 0.98481 0.02231 0.03728 ++ {0.0} {} {} 3.54090 0.10521 0.18919 ++ {0.0} {} {} 19.11788 0.90366 1.56127 ++ {0.0} {} 0.0 0.0246 0 {} 0 254 {} 0.98617 0.02966 0.08011 ++ {0.0} {} {} 3.72492 0.09339 0.22572 ++ {0.0} {} {} 19.15135 0.98456 1.83760 ++ {0.0} {} 0.0 0.0396 0 {} 0 255 {} 0.98484 0.02659 0.08392 ++ {0.0} {} {} 3.92750 0.07967 0.20517 ++ {0.0} {} {} 19.16379 1.07870 2.05437 ++ {0.0} {} 0.0 0.0667 0 {} 0 256 {} 0.98746 0.02745 0.04465 ++ {0.0} {} {} 4.39021 0.09730 0.13646 ++ {0.0} {} {} 19.17467 1.08244 1.58023 ++ {0.0} {} 0.0 0.0124 0 {} 0 257 {} 0.98446 0.02350 0.14247 ++ {0.0} {} {} 0.75221 0.10508 0.17556 ++ {0.0} {} {} 19.15203 1.05057 1.75639 ++ {0.0} {} 0.0 0.1211 0 {} 0 258 {} 1.59653 0.01237 0.01456 ++ {0.0} {} {} 2.56222 0.03892 0.04137 ++ {0.0} {} {} 19.92677 2.00186 2.85980 ++ {0.0} {} 0.0 0.0071 0 {} 0 259 {} 1.32858 0.02546 0.04101 ++ {0.0} {} {} 2.01797 0.06370 0.27588 ++ {0.0} {} {} 22.05547 1.02974 1.70187 ++ {0.0} {} 0.0 0.0210 0 {} 0 260 {} 1.36503 0.02225 0.03280 ++ {0.0} {} {} 1.59800 0.08944 0.18478 ++ {0.0} {} {} 18.82215 1.50301 3.53857 ++ {0.0} {} 0.0 0.0369 0 {} 0 261 {} 1.37106 0.02156 0.05643 ++ {0.0} {} {} 4.67697 0.08893 0.17556 ++ {0.0} {} {} 22.02789 1.08702 1.55289 ++ {0.0} {} 0.0 0.1562 0 {} 0 262 {} 1.37106 0.02156 0.05643 ++ {0.0} {} {} 4.67697 0.08893 0.17556 ++ {0.0} {} {} 22.02789 1.08702 1.55289 ++ {0.0} {} 0.0 0.1562 0 {} 0 263 {} 1.02798 0.01869 0.06840 ++ {0.0} {} {} 1.60310 0.12486 0.17200 ++ {0.0} {} {} 21.04613 1.07498 1.66645 ++ {0.0} {} 0.0 0.0149 0 {} 0 264 {} 1.02264 0.00377 0.01041 ++ {0.0} {} {} 2.65206 0.05998 0.12540 ++ {0.0} {} {} 21.05473 0.76190 0.95752 ++ {0.0} {} 0.0 0.0090 0 {} 0 265 {} 0.98418 0.03063 0.11134 ++ {0.0} {} {} 2.15479 0.09578 0.31418 ++ {0.0} {} {} 19.16238 1.04755 1.73665 ++ {0.0} {} 0.0 0.0956 0 {} 0 266 {} 1.03400 0.02040 0.04471 ++ {0.0} {} {} 4.04230 0.07684 0.16805 ++ {0.0} {} {} 21.25278 1.07132 2.06137 ++ {0.0} {} 0.0 0.0883 0 {} 0 267 {} 1.03375 0.02303 0.04421 ++ {0.0} {} {} 4.25464 0.07993 0.14574 ++ {0.0} {} {} 21.27098 1.17767 3.14660 ++ {0.0} {} 0.0 0.0436 0 {} 0 268 {} 1.03187 0.02167 0.02418 ++ {0.0} {} {} 3.04098 0.09640 0.11545 ++ {0.0} {} {} 20.98966 0.46617 0.54963 ++ {0.0} {} 0.0 0.0082 0 {} 0 269 {} 1.04304 0.01845 0.02342 ++ {0.0} {} {} 2.06559 0.11063 0.22510 ++ {0.0} {} {} 21.00974 1.01983 1.50761 ++ {0.0} {} 0.0 0.0128 0 {} 0 270 {} 1.05071 0.01635 0.01755 ++ {0.0} {} {} 2.45421 0.04665 0.05550 ++ {0.0} {} {} 20.15971 1.25543 1.49448 ++ {0.0} {} 0.0 0.0083 0 {} 0 271 {} 1.06495 0.01223 0.01344 ++ {0.0} {} {} 2.63513 0.06666 0.07017 ++ {0.0} {} {} 19.95600 2.90958 3.08252 ++ {0.0} {} 0.0 0.0073 0 {} 0 272 {} 1.06086 0.01715 0.01616 ++ {0.0} {} {} 3.29647 0.03554 0.07446 ++ {0.0} {} {} 20.14521 1.38127 2.83696 ++ {0.0} {} 0.0 0.0063 0 {} 0 273 {} 1.32575 0.02311 0.04647 ++ {0.0} {} {} 3.41150 0.08096 0.19301 ++ {0.0} {} {} 22.05783 1.08021 1.99334 ++ {0.0} {} 0.0 0.0676 0 {} 0 274 {} 1.37211 0.02287 0.11074 ++ {0.0} {} {} 4.42053 0.07849 0.17957 ++ {0.0} {} {} 22.03313 1.16622 2.03164 ++ {0.0} {} 0.0 0.0935 0 {} 0 275 {} 1.32461 0.02227 0.04931 ++ {0.0} {} {} 4.31715 0.08661 0.23648 ++ {0.0} {} {} 22.05166 1.08449 1.88436 ++ {0.0} {} 0.0 0.1045 0 {} 0 276 {} 1.32474 0.01575 0.02062 ++ {0.0} {} {} 3.97558 0.09380 0.11594 ++ {0.0} {} {} 22.06287 0.95807 1.27568 ++ {0.0} {} 0.0 0.0157 0 {} 0 277 {} 1.33799 0.02249 0.05643 ++ {0.0} {} {} 4.78642 0.07699 0.17556 ++ {0.0} {} {} 21.96264 1.08243 1.54632 ++ {0.0} {} 0.0 0.1871 0 {} 0 278 {} 1.39595 0.02149 0.02955 ++ {0.0} {} {} 2.76297 0.07619 0.10867 ++ {0.0} {} {} 21.98099 0.90567 1.29850 ++ {0.0} {} 0.0 0.0185 0 {} 0 279 {} 1.37783 0.04337 0.05998 ++ {0.0} {} {} 1.89598 0.12289 0.17556 ++ {0.0} {} {} 22.08883 1.88585 2.79801 ++ {0.0} {} 0.0 0.0164 0 {} 0 280 {} 1.32607 0.01613 0.02430 ++ {0.0} {} {} 2.74463 0.04253 0.12625 ++ {0.0} {} {} 22.05585 1.16218 1.66034 ++ {0.0} {} 0.0 0.0183 0 {} 0 281 {} 1.32790 0.02539 0.03622 ++ {0.0} {} {} 3.11629 0.08273 0.10716 ++ {0.0} {} {} 21.98801 1.11814 1.51123 ++ {0.0} {} 0.0 0.0161 0 {} 0 282 {} 1.32564 0.02733 0.03329 ++ {0.0} {} {} 2.40158 0.05143 0.14132 ++ {0.0} {} {} 22.03520 1.07386 1.40079 ++ {0.0} {} 0.0 0.0150 0 {} 0 283 {} 1.39153 0.04391 0.04924 ++ {0.0} {} {} 2.63994 0.03657 0.09467 ++ {0.0} {} {} 21.92127 1.39774 1.66175 ++ {0.0} {} 0.0 0.0129 0 {} 0 284 {} 1.32292 0.04310 0.04631 ++ {0.0} {} {} 1.06280 0.03909 0.10637 ++ {0.0} {} {} 22.03019 1.01489 1.14221 ++ {0.0} {} 0.0 0.0234 0 {} 0 285 {} 0.73337 0.02875 0.05138 ++ {0.0} {} {} 1.12733 0.12414 0.20234 ++ {0.0} {} {} 22.92229 1.05401 1.53242 ++ {0.0} {} 0.0 0.0192 0 {} 0 286 {} 0.73301 0.02499 0.11840 ++ {0.0} {} {} 1.56611 0.12289 0.17556 ++ {0.0} {} {} 22.95667 1.07027 1.75959 ++ {0.0} {} 0.0 0.1238 0 {} 0 287 {} 0.73199 0.02729 0.10100 ++ {0.0} {} {} 1.94827 0.11654 0.31717 ++ {0.0} {} {} 22.95528 1.01196 1.65910 ++ {0.0} {} 0.0 0.1099 0 {} 0 288 {} 0.72680 0.02246 0.03758 ++ {0.0} {} {} 1.32872 0.06765 0.12449 ++ {0.0} {} {} 22.05206 1.26811 2.28830 ++ {0.0} {} 0.0 0.0963 0 {} 0 289 {} 0.73114 0.02815 0.03872 ++ {0.0} {} {} 2.43567 0.11191 0.16633 ++ {0.0} {} {} 22.94555 1.20108 1.83598 ++ {0.0} {} 0.0 0.0222 0 {} 0 290 {40.HD21} 0.73205 0.02183 0.05384 ++ {0.0} {} {14.HA} 3.54428 0.08628 0.15659 ++ {0.0} {} {40.CD2} 22.94423 1.08767 2.07970 ++ {0.0} {} 0.0 0.0463 0 {} 0 291 {40.HD21} 0.73199 0.02505 0.07186 ++ {0.0} {} {40.HA} 4.55892 0.08752 0.21745 ++ {0.0} {} {40.CD2} 22.94243 1.01153 1.44504 ++ {0.0} {} 0.0 0.1444 0 {} 0 292 {} 0.46237 0.02725 0.06073 ++ {0.0} {} {} -0.58824 0.08081 0.17347 ++ {0.0} {} {} 22.93875 1.03894 1.64671 ++ {0.0} {} 0.0 0.1278 0 {} 0 293 {} 0.46291 0.02992 0.07898 ++ {0.0} {} {} 0.72803 0.15801 0.22572 ++ {0.0} {} {} 22.93729 1.02139 1.61398 ++ {0.0} {} 0.0 0.1211 0 {} 0 294 {} 0.46341 0.02632 0.05211 ++ {0.0} {} {} 0.98563 0.08778 0.12540 ++ {0.0} {} {} 22.95215 0.80373 1.44070 ++ {0.0} {} 0.0 0.0504 0 {} 0 295 {} 0.46230 0.03048 0.08062 ++ {0.0} {} {} 1.11905 0.08100 0.17960 ++ {0.0} {} {} 22.94461 1.02453 2.08263 ++ {0.0} {} 0.0 0.0930 0 {} 0 296 {} 0.46259 0.03236 0.04545 ++ {0.0} {} {} 1.55741 0.11495 0.15010 ++ {0.0} {} {} 22.95506 0.99155 1.52240 ++ {0.0} {} 0.0 0.0225 0 {} 0 297 {} 0.46325 0.01893 0.02276 ++ {0.0} {} {} 2.35138 0.11272 0.14227 ++ {0.0} {} {} 22.94489 0.98551 1.27481 ++ {0.0} {} 0.0 0.0148 0 {} 0 298 {} 0.46257 0.03094 0.08790 ++ {0.0} {} {} 3.56391 0.08503 0.19144 ++ {0.0} {} {} 22.94125 1.08725 3.46353 ++ {0.0} {} 0.0 0.1056 0 {} 0 299 {} 0.46410 0.02006 0.02750 ++ {0.0} {} {} 3.93374 0.09983 0.13016 ++ {0.0} {} {} 22.83443 1.25594 1.73447 ++ {0.0} {} 0.0 0.0169 0 {} 0 300 {} 0.73088 0.01787 0.01965 ++ {0.0} {} {} 2.76501 0.06805 0.07599 ++ {0.0} {} {} 22.80644 1.15120 1.29255 ++ {0.0} {} 0.0 0.0095 0 {} 0 301 {} 0.56357 0.02712 0.09833 ++ {0.0} {} {} 0.22971 0.09134 0.24493 ++ {0.0} {} {} 23.86680 1.04930 3.14578 ++ {0.0} {} 0.0 0.1248 0 {} 0 302 {} 0.56319 0.02324 0.05712 ++ {0.0} {} {} 1.25469 0.07721 0.13779 ++ {0.0} {} {} 23.87502 0.96860 1.76799 ++ {0.0} {} 0.0 0.0479 0 {} 0 303 {} 0.56369 0.02465 0.05915 ++ {0.0} {} {} 1.54958 0.11764 0.22081 ++ {0.0} {} {} 23.86238 0.99367 1.90555 ++ {0.0} {} 0.0 0.0530 0 {} 0 304 {} 0.56330 0.02698 0.06124 ++ {0.0} {} {} 1.89494 0.10998 0.45921 ++ {0.0} {} {} 23.82724 0.92812 1.70621 ++ {0.0} {} 0.0 0.0518 0 {} 0 305 {} 0.56330 0.02541 0.05450 ++ {0.0} {} {} 2.46647 0.15463 0.32421 ++ {0.0} {} {} 23.85344 0.97142 1.70871 ++ {0.0} {} 0.0 0.0347 0 {} 0 306 {} 0.56342 0.02549 0.05430 ++ {0.0} {} {} 2.88785 0.08682 0.14386 ++ {0.0} {} {} 23.83846 0.92762 1.58600 ++ {0.0} {} 0.0 0.0288 0 {} 0 307 {} 0.55933 0.01873 0.01972 ++ {0.0} {} {} 3.53095 0.13436 0.14394 ++ {0.0} {} {} 23.98636 0.79397 0.86160 ++ {0.0} {} 0.0 0.0091 0 {} 0 308 {} 0.56176 0.01964 0.02410 ++ {0.0} {} {} 3.72715 0.07336 0.09511 ++ {0.0} {} {} 23.80617 1.63497 2.49881 ++ {0.0} {} 0.0 0.0127 0 {} 0 309 {} 0.56389 0.02675 0.07479 ++ {0.0} {} {} 4.67947 0.09174 0.19999 ++ {0.0} {} {} 23.87138 1.08160 1.54515 ++ {0.0} {} 0.0 0.0886 0 {} 0 310 {} 0.88438 0.02470 0.05741 ++ {0.0} {} {} 3.95475 0.07212 0.16499 ++ {0.0} {} {} 23.94069 1.12185 2.83994 ++ {0.0} {} 0.0 0.0726 0 {} 0 311 {} 0.88446 0.02517 0.05723 ++ {0.0} {} {} 4.25306 0.10184 0.25968 ++ {0.0} {} {} 23.94069 1.11162 1.82006 ++ {0.0} {} 0.0 0.0821 0 {} 0 312 {} 0.87612 0.01681 0.02899 ++ {0.0} {} {} 4.77232 0.07113 0.10518 ++ {0.0} {} {} 23.87062 0.74161 1.19578 ++ {0.0} {} 0.0 0.0216 0 {} 0 313 {} 0.88254 0.02806 0.03350 ++ {0.0} {} {} 2.91644 0.10183 0.14692 ++ {0.0} {} {} 23.81483 0.95777 1.33295 ++ {0.0} {} 0.0 0.0138 0 {} 0 314 {} 0.87963 0.02597 0.02296 ++ {0.0} {} {} 2.63903 0.14187 0.12285 ++ {0.0} {} {} 23.83248 1.35296 1.18582 ++ {0.0} {} 0.0 0.0146 0 {} 0 315 {} 0.92853 0.02253 0.03273 ++ {0.0} {} {} 2.64424 0.12406 0.14520 ++ {0.0} {} {} 23.87473 0.99161 1.30105 ++ {0.0} {} 0.0 0.0238 -1 {} 0 316 {} 0.92551 0.02338 0.07998 ++ {0.0} {} {} 4.95275 0.07794 0.17935 ++ {0.0} {} {} 23.87422 1.00699 2.03958 ++ {0.0} {} 0.0 0.1568 0 {} 0 317 {} 0.92483 0.02939 0.04915 ++ {0.0} {} {} 1.34081 0.08715 0.22572 ++ {0.0} {} {} 24.13559 1.06733 1.88348 ++ {0.0} {} 0.0 0.0356 0 {} 0 318 {} 0.92705 0.02757 0.06896 ++ {0.0} {} {} 1.62489 0.13418 0.19169 ++ {0.0} {} {} 23.77250 0.71792 1.39277 ++ {0.0} {} 0.0 0.1395 0 {} 0 319 {} 0.91912 0.02012 0.04389 ++ {0.0} {} {} 2.08947 0.08599 0.20967 ++ {0.0} {} {} 23.83093 0.89475 1.52399 ++ {0.0} {} 0.0 0.0282 0 {} 0 320 {} 0.92853 0.02475 0.05643 ++ {0.0} {} {} 2.64424 0.12406 0.22572 ++ {0.0} {} {} 23.87473 0.99161 1.63395 ++ {0.0} {} 0.0 0.0238 0 {} 0 321 {} 0.88320 0.03028 0.09404 ++ {0.0} {} {} 1.71410 0.10530 0.15043 ++ {0.0} {} {} 23.92049 1.30891 1.91626 ++ {0.0} {} 0.0 0.1351 0 {} 0 322 {} 0.88398 0.02291 0.03598 ++ {0.0} {} {} 1.22145 0.05267 0.07524 ++ {0.0} {} {} 23.89279 1.35623 2.23265 ++ {0.0} {} 0.0 0.0403 0 {} 0 323 {} -0.61164 0.07189 0.15170 ++ {0.0} {} {} -0.29930 0.08249 0.15366 ++ {0.0} {} {} 23.72400 1.04345 1.81049 ++ {0.0} {} 0.0 0.0494 0 {} 0 324 {} -0.59073 0.02991 0.07512 ++ {0.0} {} {} 0.47063 0.08691 0.18080 ++ {0.0} {} {} 22.96403 1.09472 1.82635 ++ {0.0} {} 0.0 0.1567 0 {} 0 325 {} -0.58984 0.02786 0.06084 ++ {0.0} {} {} 0.69359 0.10818 0.23320 ++ {0.0} {} {} 22.97619 1.18147 2.64948 ++ {0.0} {} 0.0 0.0730 0 {} 0 326 {} -0.59023 0.02690 0.06583 ++ {0.0} {} {} 1.11696 0.08130 0.18797 ++ {0.0} {} {} 22.97643 1.12127 1.80980 ++ {0.0} {} 0.0 0.0794 0 {} 0 327 {} -0.58903 0.01887 0.02231 ++ {0.0} {} {} 1.60969 0.12529 0.13677 ++ {0.0} {} {} 23.14224 1.11385 1.32291 ++ {0.0} {} 0.0 0.0161 0 {} 0 328 {} -0.59149 0.03491 0.05089 ++ {0.0} {} {} 3.41609 0.09879 0.15960 ++ {0.0} {} {} 22.97937 1.02763 1.57613 ++ {0.0} {} 0.0 0.0281 0 {} 0 329 {} -0.58475 0.03021 0.04070 ++ {0.0} {} {} 3.53991 0.04371 0.12894 ++ {0.0} {} {} 22.96802 0.98352 1.37980 ++ {0.0} {} 0.0 0.0219 0 {} 0 330 {} -0.59595 0.02994 0.02829 ++ {0.0} {} {} 3.93405 0.07669 0.07136 ++ {0.0} {} {} 23.10912 0.91513 0.83839 ++ {0.0} {} 0.0 0.0097 0 {} 0 331 {} -0.29240 0.03865 0.08755 ++ {0.0} {} {} -0.60772 0.08842 0.16917 ++ {0.0} {} {} 23.86777 0.95550 1.67981 ++ {0.0} {} 0.0 0.0432 0 {} 0 332 {} -0.29123 0.01363 0.03723 ++ {0.0} {} {} 0.69273 0.09558 0.11590 ++ {0.0} {} {} 23.87781 1.14958 1.43926 ++ {0.0} {} 0.0 0.0140 0 {} 0 333 {} -0.29891 0.01136 0.01712 ++ {0.0} {} {} 0.87540 0.05646 0.08863 ++ {0.0} {} {} 23.69751 0.73445 1.33087 ++ {0.0} {} 0.0 0.0557 0 {} 0 334 {} -0.30517 0.01489 0.03474 ++ {0.0} {} {} 1.93544 0.10618 0.11218 ++ {0.0} {} {} 23.77386 1.77184 1.94021 ++ {0.0} {} 0.0 0.0116 0 {} 0 335 {} -0.29955 0.00920 0.01891 ++ {0.0} {} {} 2.35752 0.05912 0.05529 ++ {0.0} {} {} 23.87249 1.33782 1.23503 ++ {0.0} {} 0.0 0.0097 0 {} 0 336 {} 1.24616 0.00806 0.01060 ++ {0.0} {} {} 2.13673 0.04483 0.05930 ++ {0.0} {} {} 20.03545 1.92981 2.72958 ++ {0.0} {} 0.0 0.0078 0 {} 0 337 {} 1.24616 0.00806 0.01060 ++ {0.0} {} {} 2.13673 0.04483 0.05930 ++ {0.0} {} {} 20.03545 1.92981 2.72958 ++ {0.0} {} 0.0 0.0078 0 {} 0 338 {} 1.24616 0.00806 0.01060 ++ {0.0} {} {} 2.13673 0.04483 0.05930 ++ {0.0} {} {} 20.03545 1.92981 2.72958 ++ {0.0} {} 0.0 0.0078 0 {} 0 339 {} 1.24616 0.00806 0.01060 ++ {0.0} {} {} 2.13673 0.04483 0.05930 ++ {0.0} {} {} 20.03545 1.92981 2.72958 ++ {0.0} {} 0.0 0.0078 0 {} 0 340 {} 1.20868 0.01029 0.01687 ++ {0.0} {} {} 4.27229 0.06419 0.09798 ++ {0.0} {} {} 22.04435 1.06918 1.86761 ++ {0.0} {} 0.0 0.0212 0 {} 0 341 {} 1.19619 0.01405 0.02079 ++ {0.0} {} {} 2.77499 0.09642 0.13774 ++ {0.0} {} {} 21.93201 1.46442 2.04838 ++ {0.0} {} 0.0 0.0089 0 {} 0 342 {} 1.21075 0.01317 0.01881 ++ {0.0} {} {} 2.14063 0.06909 0.07979 ++ {0.0} {} {} 21.97374 2.02338 2.89054 ++ {0.0} {} 0.0 0.0072 0 {} 0 343 {} 1.03878 0.01592 0.01756 ++ {0.0} {} {} 3.26161 0.05446 0.05936 ++ {0.0} {} {} 21.08926 0.62642 0.68218 ++ {0.0} {} 0.0 0.0074 0 {} 0 344 {} 1.04532 0.00902 0.00959 ++ {0.0} {} {} 3.17659 0.06330 0.06680 ++ {0.0} {} {} 22.22353 1.83396 1.94983 ++ {0.0} {} 0.0 0.0071 0 {} 0 345 {} 1.04830 0.02111 0.03016 ++ {0.0} {} {} 1.63001 0.08055 0.11037 ++ {0.0} {} {} 21.05449 0.93192 2.62450 ++ {0.0} {} 0.0 0.0122 0 {} 0 346 {} 1.04830 0.02111 0.03016 ++ {0.0} {} {} 1.63001 0.08055 0.11037 ++ {0.0} {} {} 21.05449 0.93192 2.62450 ++ {0.0} {} 0.0 0.0122 0 {} 0 347 {} 0.73579 0.02389 0.02461 ++ {0.0} {} {} 2.26829 0.11656 0.12305 ++ {0.0} {} {} 22.98132 0.88795 0.93884 ++ {0.0} {} 0.0 0.0089 0 {} 0 348 {} 0.46251 0.01577 0.01527 ++ {0.0} {} {} 3.28590 0.09451 0.09052 ++ {0.0} {} {} 23.08422 1.01150 0.96556 ++ {0.0} {} 0.0 0.0080 0 {} 0 349 {} 3.23413 0.04687 0.08150 ++ {0.0} {} {} 4.11583 0.09762 0.17794 ++ {0.0} {} {} 24.83686 1.06967 2.09220 ++ {0.0} {} 0.0 0.0520 0 {} 0 350 {} 3.17683 0.03501 0.05643 ++ {0.0} {} {} 4.11899 0.08369 0.15416 ++ {0.0} {} {} 24.87894 1.14443 2.04207 ++ {0.0} {} 0.0 0.0439 0 {} 0 351 {} 0.95164 0.02305 0.05123 ++ {0.0} {} {} 4.26132 0.08009 0.14257 ++ {0.0} {} {} 24.90882 1.38729 2.43801 ++ {0.0} {} 0.0 0.0387 0 {} 0 352 {} 0.95183 0.02167 0.05211 ++ {0.0} {} {} 3.92860 0.07116 0.09776 ++ {0.0} {} {} 24.93359 1.16085 1.72558 ++ {0.0} {} 0.0 0.0163 0 {} 0 353 {} 0.95235 0.01407 0.01632 ++ {0.0} {} {} 3.68745 0.06636 0.08034 ++ {0.0} {} {} 24.93414 0.61249 0.75063 ++ {0.0} {} 0.0 0.0108 0 {} 0 354 {57.HG3} 1.30525 0.02955 0.04074 ++ {0.0} {} {57.HB3} 1.62317 0.05480 0.08178 ++ {0.0} {} {57.CG} 24.77977 0.74250 1.23842 ++ {0.0} {} 0.0 0.0202 0 {} 0 355 {57.HG3} 1.30502 0.03911 0.06217 ++ {0.0} {} {57.HB2} 1.79788 0.05749 0.08703 ++ {0.0} {} {57.CG} 24.74670 1.08657 1.78408 ++ {0.0} {} 0.0 0.0187 0 {} 0 356 {} 1.30565 0.01072 0.00804 ++ {0.0} {} {} 2.29340 0.15035 0.21478 ++ {0.0} {} {} 24.89677 0.75172 0.56422 ++ {0.0} {} 0.0 0.0054 -1 {} 0 357 {57.HG3} 1.30065 0.04458 0.05990 ++ {0.0} {} {57.HE3} 2.82337 0.09014 0.13014 ++ {0.0} {} {57.CG} 24.92440 0.89213 1.32885 ++ {0.0} {} 0.0 0.0131 0 {} 0 358 {57.HG3} 1.30722 0.03884 0.05582 ++ {0.0} {} {57.HA} 4.08203 0.06811 0.11440 ++ {0.0} {} {57.CG} 24.91970 1.00330 1.64315 ++ {0.0} {} 0.0 0.0185 0 {} 0 359 {} 1.45466 0.02419 0.06555 ++ {0.0} {} {} 0.96756 0.07356 0.11895 ++ {0.0} {} {} 24.90619 0.82292 1.45771 ++ {0.0} {} 0.0 0.0366 0 {} 0 360 {} 1.40124 0.02382 0.03912 ++ {0.0} {} {} 0.91877 0.05758 0.09865 ++ {0.0} {} {} 25.01959 0.81103 1.52424 ++ {0.0} {} 0.0 0.0694 0 {} 0 361 {} 1.45461 0.05405 0.11912 ++ {0.0} {} {} 1.87743 0.12289 0.17556 ++ {0.0} {} {} 24.79480 1.08668 2.06082 ++ {0.0} {} 0.0 0.0808 0 {} 0 362 {} 1.41593 0.02194 0.03135 ++ {0.0} {} {} 1.92776 0.08991 0.16453 ++ {0.0} {} {} 24.78711 0.86258 1.58448 ++ {0.0} {} 0.0 0.0513 0 {} 0 363 {} 1.46896 0.02837 0.07325 ++ {0.0} {} {} 2.14884 0.10573 0.21579 ++ {0.0} {} {} 25.55077 1.05821 1.65711 ++ {0.0} {} 0.0 0.0193 0 {} 0 364 {57.HG2} 1.40989 0.03698 0.05496 ++ {0.0} {} {57.HE2} 2.83790 0.10203 0.12651 ++ {0.0} {} {57.CG} 24.90682 0.97443 1.27501 ++ {0.0} {} 0.0 0.0121 0 {} 0 365 {} 1.46545 0.02138 0.02462 ++ {0.0} {} {} 2.45481 0.11899 0.16477 ++ {0.0} {} {} 24.80803 0.92684 1.13103 ++ {0.0} {} 0.0 0.0107 0 {} 0 366 {} 1.46689 0.04390 0.06272 ++ {0.0} {} {} 2.99809 0.08757 0.11914 ++ {0.0} {} {} 24.96823 1.42739 2.04682 ++ {0.0} {} 0.0 0.0148 0 {} 0 367 {} 1.41802 0.03668 0.07671 ++ {0.0} {} {} 4.03533 0.10575 0.19965 ++ {0.0} {} {} 24.88423 0.99487 1.56160 ++ {0.0} {} 0.0 0.0195 0 {} 0 368 {} 1.47006 0.05772 0.06896 ++ {0.0} {} {} 4.29407 0.11786 0.19114 ++ {0.0} {} {} 24.87263 1.11781 1.72027 ++ {0.0} {} 0.0 0.0182 0 {} 0 369 {57.HG2} 1.39383 0.01191 0.02459 ++ {0.0} {} {57.HA} 4.08441 0.08249 0.07322 ++ {0.0} {} {57.CG} 24.72395 1.13473 0.95711 ++ {0.0} {} 0.0 0.0072 0 {} 0 370 {18.HG} 1.11986 0.05535 0.12273 ++ {0.0} {} {18.HD11} -0.58814 0.08243 0.19521 ++ {0.0} {} {18.CG} 25.80276 1.09795 1.69524 ++ {0.0} {} 0.0 0.0592 0 {} 0 371 {18.HG} 1.11769 0.05715 0.12118 ++ {0.0} {} {18.HB2} 0.47153 0.09401 0.31164 ++ {0.0} {} {18.CG} 25.81208 1.13693 1.62418 ++ {0.0} {} 0.0 0.0691 0 {} 0 372 {} 1.12889 0.06073 0.09057 ++ {0.0} {} {} 0.69749 0.09261 0.27360 ++ {0.0} {} {} 25.78073 0.97398 1.80073 ++ {0.0} {} 0.0 0.0443 0 {} 0 373 {} 1.12251 0.02259 0.08798 ++ {0.0} {} {} 0.88570 0.08264 0.16045 ++ {0.0} {} {} 23.81359 1.29193 1.84562 ++ {0.0} {} 0.0 0.3545 0 {} 0 374 {18.HG} 1.11777 0.03072 0.04389 ++ {0.0} {} {18.HA} 3.56427 0.08149 0.15580 ++ {0.0} {} {18.CG} 25.80651 0.97810 1.68635 ++ {0.0} {} 0.0 0.0243 0 {} 0 375 {} 0.69582 0.04421 0.09402 ++ {0.0} {} {} 0.22879 0.09375 0.24105 ++ {0.0} {} {} 26.67604 1.16705 2.10969 ++ {0.0} {} 0.0 0.1096 0 {} 0 376 {54.HB2} 0.69339 0.06321 0.16206 ++ {0.0} {} {54.HB3} -0.30540 0.09365 0.20046 ++ {0.0} {} {54.CB} 28.54821 1.30788 2.46940 ++ {0.0} {} 0.0 0.0810 0 {} 0 377 {} 0.69037 0.02802 0.08896 ++ {0.0} {} {} 1.34551 0.10531 0.27360 ++ {0.0} {} {} 26.80601 1.16558 2.79943 ++ {0.0} {} 0.0 0.0663 0 {} 0 378 {} 0.69044 0.02368 0.06116 ++ {0.0} {} {} 1.12620 0.15801 0.22572 ++ {0.0} {} {} 26.61630 1.11733 2.09529 ++ {0.0} {} 0.0 0.0537 0 {} 0 379 {} 0.69060 0.02707 0.10116 ++ {0.0} {} {} 1.56892 0.12877 0.32604 ++ {0.0} {} {} 26.73086 1.17420 1.67742 ++ {0.0} {} 0.0 0.2336 0 {} 0 380 {} 0.69049 0.02134 0.04562 ++ {0.0} {} {} 1.95408 0.09912 0.37621 ++ {0.0} {} {} 26.70213 1.13344 1.61919 ++ {0.0} {} 0.0 0.1390 0 {} 0 381 {} 0.68980 0.02478 0.05014 ++ {0.0} {} {} 2.44121 0.10062 0.27588 ++ {0.0} {} {} 26.70816 1.22842 1.90101 ++ {0.0} {} 0.0 0.0215 0 {} 0 382 {} 0.69189 0.02374 0.03935 ++ {0.0} {} {} 2.63781 0.10631 0.20520 ++ {0.0} {} {} 26.79076 1.11039 1.84273 ++ {0.0} {} 0.0 0.0196 0 {} 0 383 {} 0.68658 0.01466 0.01839 ++ {0.0} {} {} 2.77765 0.10057 0.17556 ++ {0.0} {} {} 26.64589 1.01207 1.36997 ++ {0.0} {} 0.0 0.0104 0 {} 0 384 {} 0.69398 0.03207 0.04675 ++ {0.0} {} {} 3.54580 0.08538 0.14733 ++ {0.0} {} {} 26.65610 1.12875 1.89793 ++ {0.0} {} 0.0 0.0210 0 {} 0 385 {54.HB2} 0.70139 0.02162 0.03289 ++ {0.0} {} {51.HA} 3.81690 0.08119 0.11632 ++ {0.0} {} {54.CB} 28.54449 1.31104 2.03815 ++ {0.0} {} 0.0 0.0150 0 {} 0 386 {} 0.69028 0.03224 0.05655 ++ {0.0} {} {} 4.57152 0.08884 0.13824 ++ {0.0} {} {} 26.63707 0.97517 1.56171 ++ {0.0} {} 0.0 0.0168 0 {} 0 387 {} 0.69016 0.02261 0.03527 ++ {0.0} {} {} 4.95465 0.08141 0.13164 ++ {0.0} {} {} 26.81552 1.10493 1.76803 ++ {0.0} {} 0.0 0.0167 0 {} 0 388 {} 0.22914 0.02618 0.08360 ++ {0.0} {} {} 0.56535 0.12289 0.17556 ++ {0.0} {} {} 26.71969 1.09390 1.56272 ++ {0.0} {} 0.0 0.1475 0 {} 0 389 {} 0.22935 0.02348 0.04880 ++ {0.0} {} {} 0.70409 0.10557 0.17556 ++ {0.0} {} {} 26.70718 1.12345 1.60493 ++ {0.0} {} 0.0 0.2108 0 {} 0 390 {} 0.22935 0.02650 0.07403 ++ {0.0} {} {} 0.98442 0.07986 0.22572 ++ {0.0} {} {} 26.75604 1.04026 1.66327 ++ {0.0} {} 0.0 0.0853 0 {} 0 391 {} 0.23044 0.02770 0.05953 ++ {0.0} {} {} 1.25356 0.10331 0.34200 ++ {0.0} {} {} 26.73639 1.11221 1.70626 ++ {0.0} {} 0.0 0.0480 0 {} 0 392 {} 0.22894 0.02388 0.04620 ++ {0.0} {} {} 1.52433 0.10446 0.22200 ++ {0.0} {} {} 26.72856 1.03180 2.07042 ++ {0.0} {} 0.0 0.0673 0 {} 0 393 {} 0.22885 0.01679 0.02655 ++ {0.0} {} {} 1.86499 0.06148 0.09884 ++ {0.0} {} {} 26.71172 0.76786 1.31565 ++ {0.0} {} 0.0 0.0234 0 {} 0 394 {} 0.22845 0.02149 0.02243 ++ {0.0} {} {} 2.05231 0.08921 0.10151 ++ {0.0} {} {} 26.88221 1.57595 1.66421 ++ {0.0} {} 0.0 0.0071 0 {} 0 395 {} 0.22886 0.01628 0.02139 ++ {0.0} {} {} 2.16518 0.06147 0.08615 ++ {0.0} {} {} 26.69238 0.87337 1.25427 ++ {0.0} {} 0.0 0.0119 0 {} 0 396 {} 0.21837 0.01738 0.01754 ++ {0.0} {} {} 2.45131 0.06537 0.06616 ++ {0.0} {} {} 26.78295 0.87215 0.88601 ++ {0.0} {} 0.0 0.0068 0 {} 0 397 {} 0.22547 0.01043 0.00853 ++ {0.0} {} {} 3.37943 0.03310 0.06060 ++ {0.0} {} {} 26.81364 1.17347 0.95964 ++ {0.0} {} 0.0 0.0057 0 {} 0 398 {} 0.22961 0.02005 0.03543 ++ {0.0} {} {} 3.53558 0.08095 0.12576 ++ {0.0} {} {} 26.66858 0.97789 1.45799 ++ {0.0} {} 0.0 0.0132 0 {} 0 399 {} 0.22899 0.02974 0.06506 ++ {0.0} {} {} 3.72578 0.08444 0.22276 ++ {0.0} {} {} 26.72196 1.15970 1.92086 ++ {0.0} {} 0.0 0.0450 0 {} 0 400 {} 0.23044 0.02526 0.03324 ++ {0.0} {} {} 4.67981 0.09753 0.12682 ++ {0.0} {} {} 26.73023 1.16537 1.72182 ++ {0.0} {} 0.0 0.0128 0 {} 0 401 {} 1.58002 0.05280 0.11432 ++ {0.0} {} {} 0.69184 0.10115 0.36161 ++ {0.0} {} {} 26.79548 1.25395 1.79136 ++ {0.0} {} 0.0 0.0986 0 {} 0 402 {} 1.57659 0.05583 0.09222 ++ {0.0} {} {} 0.92308 0.08628 0.18109 ++ {0.0} {} {} 26.82416 1.38683 2.49441 ++ {0.0} {} 0.0 0.0387 0 {} 0 403 {} 1.57288 0.04075 0.07601 ++ {0.0} {} {} 1.89658 0.10542 0.25772 ++ {0.0} {} {} 26.78029 1.01651 2.03601 ++ {0.0} {} 0.0 0.1470 0 {} 0 404 {} 1.61810 0.05855 0.14113 ++ {0.0} {} {} 2.63458 0.10262 0.32604 ++ {0.0} {} {} 27.72683 1.11953 1.59932 ++ {0.0} {} 0.0 0.1020 0 {} 0 405 {} 1.56868 0.03870 0.05790 ++ {0.0} {} {} 3.19568 0.07728 0.19355 ++ {0.0} {} {} 26.78026 1.02640 1.90735 ++ {0.0} {} 0.0 0.0358 0 {} 0 406 {} 1.62632 0.06975 0.15674 ++ {0.0} {} {} 3.54185 0.09006 0.15278 ++ {0.0} {} {} 27.91070 1.15707 2.05988 ++ {0.0} {} 0.0 0.0305 0 {} 0 407 {} 1.56377 0.03698 0.09225 ++ {0.0} {} {} 3.93003 0.07881 0.13981 ++ {0.0} {} {} 27.70283 1.87414 3.31374 ++ {0.0} {} 0.0 0.0219 0 {} 0 408 {} 1.57239 0.05367 0.07294 ++ {0.0} {} {} 4.14103 0.09836 0.14953 ++ {0.0} {} {} 26.81017 1.18436 1.87002 ++ {0.0} {} 0.0 0.0159 0 {} 0 409 {} 1.57914 0.05499 0.07676 ++ {0.0} {} {} 4.95492 0.08197 0.11917 ++ {0.0} {} {} 26.78082 1.09616 1.70733 ++ {0.0} {} 0.0 0.0151 0 {} 0 410 {} 1.90161 0.02996 0.05643 ++ {0.0} {} {} 0.56347 0.06920 0.10582 ++ {0.0} {} {} 26.80476 1.08412 1.70517 ++ {0.0} {} 0.0 0.0188 0 {} 0 411 {} 1.89775 0.01317 0.01881 ++ {0.0} {} {} 0.87754 0.05595 0.07267 ++ {0.0} {} {} 26.94501 0.41411 1.22791 ++ {0.0} {} 0.0 0.0103 0 {} 0 412 {} 1.88679 0.02834 0.06585 ++ {0.0} {} {} 3.08216 0.08767 0.15262 ++ {0.0} {} {} 26.74924 1.00137 1.73191 ++ {0.0} {} 0.0 0.0248 0 {} 0 413 {} 1.89877 0.03294 0.07716 ++ {0.0} {} {} 3.56840 0.08372 0.12893 ++ {0.0} {} {} 26.83240 0.94826 1.51021 ++ {0.0} {} 0.0 0.0164 0 {} 0 414 {} 1.90041 0.02194 0.03135 ++ {0.0} {} {} 4.14269 0.06860 0.08694 ++ {0.0} {} {} 26.86368 1.45123 1.93752 ++ {0.0} {} 0.0 0.0101 0 {} 0 415 {} 1.96020 0.05096 0.10113 ++ {0.0} {} {} 0.69975 0.10260 0.31363 ++ {0.0} {} {} 26.74073 1.07853 1.54075 ++ {0.0} {} 0.0 0.1191 0 {} 0 416 {} 1.95646 0.02690 0.04034 ++ {0.0} {} {} 0.91196 0.06445 0.13736 ++ {0.0} {} {} 24.84971 0.95261 1.80059 ++ {0.0} {} 0.0 0.0610 0 {} 0 417 {} 1.95578 0.02111 0.02072 ++ {0.0} {} {} 2.42950 0.08344 0.08121 ++ {0.0} {} {} 26.84190 1.04516 1.01007 ++ {0.0} {} 0.0 0.0065 0 {} 0 418 {} 1.96188 0.01949 0.02460 ++ {0.0} {} {} 3.24749 0.07565 0.08838 ++ {0.0} {} {} 26.70835 1.02145 1.25120 ++ {0.0} {} 0.0 0.0086 0 {} 0 419 {} 1.96087 0.01699 0.01643 ++ {0.0} {} {} 3.55119 0.07049 0.06825 ++ {0.0} {} {} 26.90019 1.14410 1.09059 ++ {0.0} {} 0.0 0.0064 0 {} 0 420 {} 1.95293 0.03423 0.06858 ++ {0.0} {} {} 4.57043 0.07974 0.10499 ++ {0.0} {} {} 26.69100 1.03739 1.48398 ++ {0.0} {} 0.0 0.0118 0 {} 0 421 {} 1.95398 0.02499 0.02808 ++ {0.0} {} {} 1.12436 0.06190 0.06964 ++ {0.0} {} {} 26.97096 1.10730 1.22631 ++ {0.0} {} 0.0 0.0075 0 {} 0 422 {} 1.74683 0.04735 0.20303 ++ {0.0} {} {} 0.84787 0.08907 0.27588 ++ {0.0} {} {} 29.58185 1.17296 1.67565 ++ {0.0} {} 0.0 0.1419 0 {} 0 423 {} 1.74683 0.04735 0.20303 ++ {0.0} {} {} 0.84787 0.08907 0.27588 ++ {0.0} {} {} 29.58185 1.17296 1.67565 ++ {0.0} {} 0.0 0.1419 0 {} 0 424 {} 1.70545 0.03746 0.06875 ++ {0.0} {} {} 0.88474 0.06249 0.10027 ++ {0.0} {} {} 27.13085 0.41141 1.67579 ++ {0.0} {} 0.0 0.0451 0 {} 0 425 {} 1.69768 0.03899 0.09990 ++ {0.0} {} {} 3.93349 0.08483 0.14933 ++ {0.0} {} {} 26.89040 1.05166 1.73493 ++ {0.0} {} 0.0 0.0299 0 {} 0 426 {} 1.68810 0.04547 0.05977 ++ {0.0} {} {} 4.25585 0.09526 0.17556 ++ {0.0} {} {} 26.83724 1.02965 1.53789 ++ {0.0} {} 0.0 0.0207 0 {} 0 427 {} 1.80572 0.02550 0.03522 ++ {0.0} {} {} 3.97931 0.09446 0.11405 ++ {0.0} {} {} 26.76040 1.18489 1.50553 ++ {0.0} {} 0.0 0.0143 0 {} 0 428 {} 1.77299 0.02708 0.04389 ++ {0.0} {} {} 4.12143 0.10255 0.14927 ++ {0.0} {} {} 26.90762 1.17503 1.53108 ++ {0.0} {} 0.0 0.0150 0 {} 0 429 {} 1.72206 0.01986 0.02447 ++ {0.0} {} {} 2.20793 0.15986 0.18569 ++ {0.0} {} {} 26.71022 0.94070 1.23037 ++ {0.0} {} 0.0 0.0151 0 {} 0 430 {} 1.72314 0.04578 0.09203 ++ {0.0} {} {} 3.00234 0.10535 0.15798 ++ {0.0} {} {} 29.52138 1.57165 3.37408 ++ {0.0} {} 0.0 0.0505 0 {} 0 431 {} 1.62321 0.04152 0.04290 ++ {0.0} {} {} -0.58337 0.06529 0.06788 ++ {0.0} {} {} 27.77978 0.86719 0.92179 ++ {0.0} {} 0.0 0.0112 0 {} 0 432 {} 2.66174 0.01416 0.03181 ++ {0.0} {} {} 0.71156 0.08600 0.08908 ++ {0.0} {} {} 27.78426 0.82676 0.85869 ++ {0.0} {} 0.0 0.0109 0 {} 0 433 {} 2.62665 0.02194 0.03135 ++ {0.0} {} {} 3.10627 0.06991 0.08504 ++ {0.0} {} {} 27.76688 0.92924 1.21386 ++ {0.0} {} 0.0 0.0151 0 {} 0 434 {} 2.64833 0.04186 0.05173 ++ {0.0} {} {} 3.53104 0.06564 0.08781 ++ {0.0} {} {} 27.74494 0.86420 1.17583 ++ {0.0} {} 0.0 0.0164 0 {} 0 435 {} 2.27490 0.04843 0.11280 ++ {0.0} {} {} 3.84942 0.08053 0.13589 ++ {0.0} {} {} 28.63651 1.17437 2.19530 ++ {0.0} {} 0.0 0.0269 0 {} 0 436 {} 2.27785 0.05465 0.10658 ++ {0.0} {} {} 3.98681 0.07836 0.17556 ++ {0.0} {} {} 28.66219 1.07492 1.84120 ++ {0.0} {} 0.0 0.0292 0 {} 0 437 {} 2.17499 0.03890 0.07456 ++ {0.0} {} {} 3.85775 0.08778 0.12540 ++ {0.0} {} {} 28.61855 1.12467 1.86446 ++ {0.0} {} 0.0 0.0226 0 {} 0 438 {} 2.17786 0.04690 0.08399 ++ {0.0} {} {} 3.97875 0.08850 0.16175 ++ {0.0} {} {} 28.63473 1.33774 1.91106 ++ {0.0} {} 0.0 0.0392 0 {} 0 439 {} 2.18011 0.02991 0.04123 ++ {0.0} {} {} 4.22815 0.09237 0.12709 ++ {0.0} {} {} 28.87366 1.16830 1.73515 ++ {0.0} {} 0.0 0.0163 0 {} 0 440 {} 2.28402 0.00478 0.01003 ++ {0.0} {} {} 0.99651 0.09393 0.08787 ++ {0.0} {} {} 28.33065 2.20205 3.14578 ++ {0.0} {} 0.0 0.0080 0 {} 0 441 {} 2.16383 0.01489 0.01632 ++ {0.0} {} {} 0.90910 0.08244 0.08604 ++ {0.0} {} {} 28.76377 0.62014 1.43763 ++ {0.0} {} 0.0 0.0088 0 {} 0 442 {} 2.26872 0.01890 0.04361 ++ {0.0} {} {} 1.48677 0.07051 0.07578 ++ {0.0} {} {} 28.81211 1.08103 1.17475 ++ {0.0} {} 0.0 0.0092 0 {} 0 443 {54.HB3} -0.32934 0.00841 0.02391 ++ {0.0} {} {54.HG3} -0.57421 0.09615 0.12053 ++ {0.0} {} {54.CB} 28.65937 1.36308 1.87803 ++ {0.0} {} 0.0 0.0135 0 {} 0 444 {54.HB3} -0.31077 0.05443 0.11537 ++ {0.0} {} {54.HB2} 0.69122 0.09454 0.21882 ++ {0.0} {} {54.CB} 28.55282 1.09061 2.00336 ++ {0.0} {} 0.0 0.0513 0 {} 0 445 {R54.HB3} -0.29628 0.03072 0.04389 ++ {0.0} {} {R54.HA} 3.39922 0.06459 0.08844 ++ {0.0} {} {R54.CB} 28.66523 1.17310 1.59011 ++ {0.0} {} 0.0 0.0130 0 {} 0 446 {54.HB3} -0.30865 0.02126 0.02183 ++ {0.0} {} {51.HA} 3.82143 0.07932 0.08126 ++ {0.0} {} {54.CB} 28.63170 1.25714 1.30060 ++ {0.0} {} 0.0 0.0087 0 {} 0 447 {} 1.14497 0.05536 0.10411 ++ {0.0} {} {} 0.76284 0.08758 0.16558 ++ {0.0} {} {} 28.65990 1.09058 3.24065 ++ {0.0} {} 0.0 0.0633 0 {} 0 448 {} 1.14772 0.04842 0.09742 ++ {0.0} {} {} 0.88298 0.08778 0.12540 ++ {0.0} {} {} 28.63517 1.15319 2.70280 ++ {0.0} {} 0.0 0.0399 0 {} 0 449 {} 1.14408 0.03742 0.06070 ++ {0.0} {} {} 1.69141 0.08398 0.20699 ++ {0.0} {} {} 28.64896 0.75679 1.46702 ++ {0.0} {} 0.0 0.1360 0 {} 0 450 {} 1.13876 0.02268 0.01884 ++ {0.0} {} {} 3.10508 0.06942 0.06024 ++ {0.0} {} {} 28.52612 0.95026 0.77333 ++ {0.0} {} 0.0 0.0071 0 {} 0 451 {} 1.15362 0.03476 0.05672 ++ {0.0} {} {} 3.88651 0.07345 0.12212 ++ {0.0} {} {} 28.63806 0.98231 1.68236 ++ {0.0} {} 0.0 0.0291 0 {} 0 452 {} 2.36274 0.06149 0.08757 ++ {0.0} {} {} 3.56689 0.08087 0.11055 ++ {0.0} {} {} 28.84973 0.48176 1.59148 ++ {0.0} {} 0.0 0.0168 0 {} 0 453 {} 2.36524 0.07794 0.15206 ++ {0.0} {} {} 4.27935 0.08715 0.14319 ++ {0.0} {} {} 28.69176 1.22282 2.47286 ++ {0.0} {} 0.0 0.0279 0 {} 0 454 {} 2.33540 0.02194 0.03135 ++ {0.0} {} {} 0.75729 0.08659 0.14880 ++ {0.0} {} {} 28.73772 1.53274 2.33782 ++ {0.0} {} 0.0 0.0144 0 {} 0 455 {} 3.21289 0.04798 0.08900 ++ {0.0} {} {} 4.24734 0.08768 0.19272 ++ {0.0} {} {} 29.52230 1.12429 2.02857 ++ {0.0} {} 0.0 0.0535 0 {} 0 456 {} 3.20787 0.04122 0.04819 ++ {0.0} {} {} 4.02598 0.09126 0.11215 ++ {0.0} {} {} 28.93454 0.53646 1.51176 ++ {0.0} {} 0.0 0.0146 0 {} 0 457 {} 3.33122 0.04819 0.10452 ++ {0.0} {} {} 4.47853 0.08723 0.16541 ++ {0.0} {} {} 29.52173 1.14255 1.99842 ++ {0.0} {} 0.0 0.0504 0 {} 0 458 {} 3.33080 0.04350 0.05397 ++ {0.0} {} {} 4.06862 0.09774 0.17556 ++ {0.0} {} {} 29.51885 1.12637 1.68373 ++ {0.0} {} 0.0 0.0207 0 {} 0 459 {50.HB3} 3.30463 0.06057 0.10134 ++ {0.0} {} {50.HA} 3.92484 0.08112 0.14451 ++ {0.0} {} {50.CB} 29.48858 1.18537 2.03649 ++ {0.0} {} 0.0 0.0371 0 {} 0 460 {} 3.31325 0.03970 0.09568 ++ {0.0} {} {} 3.49099 0.09653 0.17556 ++ {0.0} {} {} 29.45173 1.58361 3.23187 ++ {0.0} {} 0.0 0.1607 0 {} 0 461 {} 3.23268 0.01671 0.01963 ++ {0.0} {} {} 2.62292 0.10438 0.12379 ++ {0.0} {} {} 29.47501 0.87499 1.03236 ++ {0.0} {} 0.0 0.0128 0 {} 0 462 {} 3.22304 0.04828 0.06896 ++ {0.0} {} {} 2.06451 0.10869 0.14919 ++ {0.0} {} {} 29.72330 1.23538 1.76760 ++ {0.0} {} 0.0 0.0184 0 {} 0 463 {} 3.33944 0.02129 0.02442 ++ {0.0} {} {} 1.60146 0.05812 0.06583 ++ {0.0} {} {} 29.47610 1.25331 1.48742 ++ {0.0} {} 0.0 0.0129 0 {} 0 464 {} 3.34410 0.00783 0.01456 ++ {0.0} {} {} 2.54417 0.05785 0.11332 ++ {0.0} {} {} 29.59158 0.88718 0.75050 ++ {0.0} {} 0.0 0.0091 0 {} 0 465 {} 1.32870 0.04426 0.08870 ++ {0.0} {} {} 0.88307 0.07461 0.14140 ++ {0.0} {} {} 29.38866 1.31167 3.06630 ++ {0.0} {} 0.0 0.0438 0 {} 0 466 {} 1.33884 0.04738 0.07661 ++ {0.0} {} {} 1.01540 0.08461 0.14576 ++ {0.0} {} {} 29.46761 1.12993 1.82072 ++ {0.0} {} 0.0 0.0269 0 {} 0 467 {} 1.33333 0.03480 0.05673 ++ {0.0} {} {} 1.76935 0.05894 0.09041 ++ {0.0} {} {} 29.38542 0.85566 1.63136 ++ {0.0} {} 0.0 0.1120 0 {} 0 468 {} 1.06403 0.05194 0.12877 ++ {0.0} {} {} 0.84030 0.07066 0.19626 ++ {0.0} {} {} 29.60838 1.03238 1.47483 ++ {0.0} {} 0.0 0.1779 0 {} 0 469 {} 1.06127 0.03423 0.05590 ++ {0.0} {} {} 1.75225 0.06178 0.12679 ++ {0.0} {} {} 29.62967 0.86424 1.65380 ++ {0.0} {} 0.0 0.1211 0 {} 0 470 {} 1.06134 0.05246 0.08002 ++ {0.0} {} {} 3.54119 0.07852 0.12445 ++ {0.0} {} {} 29.61193 1.02108 1.70165 ++ {0.0} {} 0.0 0.0314 0 {} 0 471 {} 2.64688 0.04548 0.07017 ++ {0.0} {} {} 4.07520 0.07651 0.10603 ++ {0.0} {} {} 29.57646 0.97489 1.42009 ++ {0.0} {} 0.0 0.0241 0 {} 0 472 {} 1.72839 0.02194 0.03135 ++ {0.0} {} {} 2.15450 0.07618 0.09312 ++ {0.0} {} {} 29.66013 1.12322 1.58447 ++ {0.0} {} 0.0 0.0222 0 {} 0 473 {} 1.72909 0.02194 0.03135 ++ {0.0} {} {} 3.87840 0.15089 0.19960 ++ {0.0} {} {} 29.62321 1.32866 3.12272 ++ {0.0} {} 0.0 0.0329 0 {} 0 474 {} 1.69469 0.10256 0.19524 ++ {0.0} {} {} 3.23544 0.09948 0.24284 ++ {0.0} {} {} 27.61169 1.17085 2.79479 ++ {0.0} {} 0.0 0.0821 0 {} 0 475 {} 1.46045 0.02194 0.03135 ++ {0.0} {} {} 0.98013 0.09901 0.09365 ++ {0.0} {} {} 28.51338 0.80379 0.75186 ++ {0.0} {} 0.0 0.0123 0 {} 0 476 {} 1.46855 0.04798 0.06892 ++ {0.0} {} {} 2.04520 0.07860 0.10325 ++ {0.0} {} {} 28.48686 0.49028 0.72045 ++ {0.0} {} 0.0 0.0247 0 {} 0 477 {} 1.47414 0.01825 0.03200 ++ {0.0} {} {} 1.70716 0.22823 0.32604 ++ {0.0} {} {} 28.76617 0.90306 1.73910 ++ {0.0} {} 0.0 0.1905 0 {} 0 478 {57.HD2} 1.47841 0.03333 0.05187 ++ {0.0} {} {57.HE2} 2.81806 0.07822 0.13414 ++ {0.0} {} {57.CD} 29.09403 1.15350 1.88919 ++ {0.0} {} 0.0 0.0361 0 {} 0 479 {} 1.48770 0.01283 0.02505 ++ {0.0} {} {} 3.35034 0.09211 0.08349 ++ {0.0} {} {} 28.53653 0.65514 0.58853 ++ {0.0} {} 0.0 0.0119 0 {} 0 480 {} 1.46206 0.02472 0.03265 ++ {0.0} {} {} 3.53619 0.07011 0.09048 ++ {0.0} {} {} 28.65003 0.97658 1.27059 ++ {0.0} {} 0.0 0.0187 0 {} 0 481 {} 1.46025 0.03070 0.04386 ++ {0.0} {} {} 3.71995 0.08177 0.09503 ++ {0.0} {} {} 28.68477 1.10529 1.31303 ++ {0.0} {} 0.0 0.0161 0 {} 0 482 {57.HD3} 1.47614 0.03195 0.03175 ++ {0.0} {} {57.HA} 4.09113 0.08610 0.08535 ++ {0.0} {} {57.CD} 28.82174 0.85986 0.84955 ++ {0.0} {} 0.0 0.0129 0 {} 0 483 {} 2.06800 0.02194 0.03135 ++ {0.0} {} {} 0.73439 0.09286 0.08687 ++ {0.0} {} {} 29.68527 1.31333 1.23238 ++ {0.0} {} 0.0 0.0123 0 {} 0 484 {} 2.09221 0.02808 0.03610 ++ {0.0} {} {} 0.92259 0.08939 0.12341 ++ {0.0} {} {} 29.43575 1.11205 1.43513 ++ {0.0} {} 0.0 0.0184 0 {} 0 485 {} 2.06752 0.06281 0.11598 ++ {0.0} {} {} 1.47085 0.12289 0.17556 ++ {0.0} {} {} 29.91958 1.31341 2.04169 ++ {0.0} {} 0.0 0.0294 0 {} 0 486 {} 2.05611 0.05104 0.06755 ++ {0.0} {} {} 3.54554 0.10121 0.12802 ++ {0.0} {} {} 30.35347 1.09064 1.42580 ++ {0.0} {} 0.0 0.0189 0 {} 0 487 {} 2.06838 0.05971 0.10161 ++ {0.0} {} {} 3.71141 0.08332 0.14132 ++ {0.0} {} {} 30.11970 1.25193 2.50359 ++ {0.0} {} 0.0 0.0438 0 {} 0 488 {} 2.08601 0.05210 0.13586 ++ {0.0} {} {} 2.63307 0.10837 0.34446 ++ {0.0} {} {} 29.55012 1.11824 1.83512 ++ {0.0} {} 0.0 0.1482 0 {} 0 489 {} 2.08037 0.05868 0.15352 ++ {0.0} {} {} 4.06851 0.09526 0.20060 ++ {0.0} {} {} 29.73743 1.32361 3.34126 ++ {0.0} {} 0.0 0.0485 0 {} 0 490 {} 2.06584 0.03491 0.06896 ++ {0.0} {} {} 4.79290 0.09116 0.12210 ++ {0.0} {} {} 29.86887 1.47801 1.92145 ++ {0.0} {} 0.0 0.0187 0 {} 0 491 {} 2.08860 0.02194 0.03135 ++ {0.0} {} {} 4.38533 0.09695 0.10107 ++ {0.0} {} {} 29.52986 1.21643 1.28812 ++ {0.0} {} 0.0 0.0139 0 {} 0 492 {} 2.06700 0.05070 0.05074 ++ {0.0} {} {} 3.34409 0.07826 0.07841 ++ {0.0} {} {} 30.62456 0.82878 0.83097 ++ {0.0} {} 0.0 0.0131 0 {} 0 493 {} 2.34363 0.03743 0.06243 ++ {0.0} {} {} 4.07376 0.09861 0.13226 ++ {0.0} {} {} 30.36589 0.94544 1.38903 ++ {0.0} {} 0.0 0.0246 0 {} 0 494 {} 2.36057 0.08797 0.13246 ++ {0.0} {} {} 2.35373 0.14146 0.23905 ++ {0.0} {} {} 28.94395 0.55107 1.73193 ++ {0.0} {} 0.0 0.2727 0 {} 0 495 {} 1.32672 0.06153 0.08656 ++ {0.0} {} {} 2.29058 0.13354 0.23413 ++ {0.0} {} {} 31.23224 1.04197 1.73585 ++ {0.0} {} 0.0 0.0313 0 {} 0 496 {} 1.33531 0.02442 0.02586 ++ {0.0} {} {} 2.91052 0.09483 0.09894 ++ {0.0} {} {} 31.46433 1.39184 1.47080 ++ {0.0} {} 0.0 0.0111 0 {} 0 497 {} 2.16499 0.04585 0.08688 ++ {0.0} {} {} 2.80669 0.10074 0.21890 ++ {0.0} {} {} 32.39765 1.17428 2.11501 ++ {0.0} {} 0.0 0.1607 0 {} 0 498 {} 2.16624 0.04261 0.08020 ++ {0.0} {} {} 2.65718 0.09680 0.22572 ++ {0.0} {} {} 32.41210 1.07366 1.77746 ++ {0.0} {} 0.0 0.1802 0 {} 0 499 {} 2.15440 0.05103 0.07969 ++ {0.0} {} {} 4.03706 0.09098 0.17648 ++ {0.0} {} {} 33.34383 1.29579 2.05793 ++ {0.0} {} 0.0 0.0254 0 {} 0 500 {} 2.16553 0.04671 0.10163 ++ {0.0} {} {} 4.27020 0.09999 0.35562 ++ {0.0} {} {} 32.38914 1.10383 2.02710 ++ {0.0} {} 0.0 0.0640 0 {} 0 501 {} 1.94442 0.04846 0.11989 ++ {0.0} {} {} 4.02182 0.08231 0.18125 ++ {0.0} {} {} 32.55234 1.01982 1.81615 ++ {0.0} {} 0.0 0.0799 0 {} 0 502 {} 1.94065 0.05060 0.08339 ++ {0.0} {} {} 3.86176 0.08554 0.14395 ++ {0.0} {} {} 32.49343 1.13336 2.05911 ++ {0.0} {} 0.0 0.0414 0 {} 0 503 {} 1.92816 0.01317 0.01881 ++ {0.0} {} {} 4.26221 0.04134 0.12994 ++ {0.0} {} {} 33.01842 1.29095 1.86818 ++ {0.0} {} 0.0 0.0189 0 {} 0 504 {} 1.93610 0.01082 0.02226 ++ {0.0} {} {} 3.21147 0.07340 0.06408 ++ {0.0} {} {} 32.50464 1.07830 0.93427 ++ {0.0} {} 0.0 0.0092 0 {} 0 505 {} 1.93264 0.04031 0.04926 ++ {0.0} {} {} 2.92964 0.10138 0.14283 ++ {0.0} {} {} 32.46804 1.02871 1.43530 ++ {0.0} {} 0.0 0.0173 0 {} 0 506 {57.HB2} 1.80479 0.04991 0.09304 ++ {0.0} {} {57.HA} 4.08940 0.09357 0.15768 ++ {0.0} {} {57.CB} 32.50763 1.31922 3.04076 ++ {0.0} {} 0.0 0.0321 0 {} 0 507 {57.HB3} 1.64153 0.05610 0.08892 ++ {0.0} {} {57.HA} 4.08687 0.07012 0.11239 ++ {0.0} {} {57.CB} 32.50678 1.03044 1.67558 ++ {0.0} {} 0.0 0.0280 0 {} 0 508 {57.HB3} 1.63239 0.03999 0.07147 ++ {0.0} {} {57.HG2} 1.40411 0.19567 0.31333 ++ {0.0} {} {57.CB} 32.47692 1.07276 1.71973 ++ {0.0} {} 0.0 0.0523 0 {} 0 509 {57.HB2} 1.80206 0.04286 0.07910 ++ {0.0} {} {57.HG2} 1.44263 0.16536 0.22572 ++ {0.0} {} {57.CB} 32.50180 1.11248 2.04727 ++ {0.0} {} 0.0 0.0532 0 {} 0 510 {57.HB3} 1.64592 0.04704 0.08319 ++ {0.0} {} {57.HB2} 1.79479 0.08095 0.16098 ++ {0.0} {} {57.CB} 32.43709 1.10102 1.57288 ++ {0.0} {} 0.0 0.2454 0 {} 0 511 {} 1.95253 0.04550 0.09035 ++ {0.0} {} {} 2.15193 0.08777 0.19189 ++ {0.0} {} {} 33.37393 1.17544 1.67919 ++ {0.0} {} 0.0 0.1671 0 {} 0 512 {} 1.95445 0.05231 0.08504 ++ {0.0} {} {} 4.39129 0.08314 0.14406 ++ {0.0} {} {} 33.38832 1.09914 1.83745 ++ {0.0} {} 0.0 0.0283 0 {} 0 513 {} 2.15411 0.04880 0.06138 ++ {0.0} {} {} 1.47473 0.09433 0.12394 ++ {0.0} {} {} 33.28301 1.02599 1.42087 ++ {0.0} {} 0.0 0.0170 0 {} 0 514 {} 2.81157 0.04572 0.07482 ++ {0.0} {} {} 2.16086 0.08898 0.29779 ++ {0.0} {} {} 32.40359 1.12849 1.61213 ++ {0.0} {} 0.0 0.1913 0 {} 0 515 {} 2.65932 0.03703 0.06909 ++ {0.0} {} {} 2.16549 0.10633 0.32404 ++ {0.0} {} {} 32.39504 1.21245 1.73208 ++ {0.0} {} 0.0 0.1776 0 {} 0 516 {} 2.81351 0.04288 0.06664 ++ {0.0} {} {} 4.27249 0.10061 0.16751 ++ {0.0} {} {} 32.36557 1.07417 1.72589 ++ {0.0} {} 0.0 0.0266 0 {} 0 517 {} 2.66232 0.03154 0.05856 ++ {0.0} {} {} 4.27134 0.08599 0.14161 ++ {0.0} {} {} 32.44691 1.10521 1.79217 ++ {0.0} {} 0.0 0.0276 0 {} 0 518 {} 2.44394 0.05769 0.13818 ++ {0.0} {} {} 2.77337 0.10306 0.22572 ++ {0.0} {} {} 35.20570 1.08527 2.02058 ++ {0.0} {} 0.0 0.0757 0 {} 0 519 {} 2.43889 0.03658 0.05914 ++ {0.0} {} {} 3.54824 0.09101 0.13425 ++ {0.0} {} {} 35.24747 1.10055 1.69804 ++ {0.0} {} 0.0 0.0229 0 {} 0 520 {} 2.44224 0.04615 0.09369 ++ {0.0} {} {} 1.60828 0.19331 0.32741 ++ {0.0} {} {} 35.15065 1.11656 1.82041 ++ {0.0} {} 0.0 0.0283 0 {} 0 521 {} 2.43704 0.03072 0.04389 ++ {0.0} {} {} 0.73792 0.09656 0.14948 ++ {0.0} {} {} 35.40322 1.35802 1.95227 ++ {0.0} {} 0.0 0.0186 0 {} 0 522 {} 1.69531 0.05982 0.09081 ++ {0.0} {} {} 0.73013 0.07242 0.10766 ++ {0.0} {} {} 36.18738 1.15970 1.79030 ++ {0.0} {} 0.0 0.0229 0 {} 0 523 {} 1.57327 0.04882 0.09121 ++ {0.0} {} {} 0.71921 0.08285 0.13589 ++ {0.0} {} {} 36.19658 1.00091 1.64654 ++ {0.0} {} 0.0 0.0295 0 {} 0 524 {} 1.67805 0.04360 0.10493 ++ {0.0} {} {} 1.87791 0.09727 0.19086 ++ {0.0} {} {} 36.26723 1.05170 1.69832 ++ {0.0} {} 0.0 0.0561 0 {} 0 525 {} 1.57056 0.04722 0.08578 ++ {0.0} {} {} 1.87577 0.08914 0.20381 ++ {0.0} {} {} 36.28915 1.02422 1.86872 ++ {0.0} {} 0.0 0.0596 0 {} 0 526 {} 1.67879 0.04643 0.05947 ++ {0.0} {} {} 3.85331 0.07478 0.09151 ++ {0.0} {} {} 36.26647 0.96054 1.21286 ++ {0.0} {} 0.0 0.0142 0 {} 0 527 {} 1.57389 0.04560 0.05309 ++ {0.0} {} {} 3.86518 0.08773 0.10519 ++ {0.0} {} {} 36.20925 1.06866 1.37326 ++ {0.0} {} 0.0 0.0146 0 {} 0 528 {} 2.16685 0.03398 0.05562 ++ {0.0} {} {} 3.93398 0.07874 0.11445 ++ {0.0} {} {} 36.47311 0.80465 1.17615 ++ {0.0} {} 0.0 0.0194 0 {} 0 529 {} 2.16633 0.03551 0.05902 ++ {0.0} {} {} 0.75777 0.06831 0.09247 ++ {0.0} {} {} 36.42255 1.32282 1.75750 ++ {0.0} {} 0.0 0.0156 0 {} 0 530 {} 2.16327 0.04984 0.09367 ++ {0.0} {} {} 0.97788 0.08491 0.18764 ++ {0.0} {} {} 36.53521 1.15307 2.02773 ++ {0.0} {} 0.0 0.0433 0 {} 0 531 {} 2.16193 0.04934 0.09521 ++ {0.0} {} {} 1.54045 0.12690 0.26515 ++ {0.0} {} {} 36.59674 1.05661 1.80821 ++ {0.0} {} 0.0 0.0362 0 {} 0 532 {} 2.15471 0.05917 0.09337 ++ {0.0} {} {} 1.94274 0.09398 0.27588 ++ {0.0} {} {} 33.24771 1.25194 1.78848 ++ {0.0} {} 0.0 0.1964 0 {} 0 533 {} 2.27490 0.04572 0.08502 ++ {0.0} {} {} 2.57260 0.09072 0.23882 ++ {0.0} {} {} 36.31544 1.04814 1.74552 ++ {0.0} {} 0.0 0.1736 0 {} 0 534 {} 2.26937 0.04510 0.07178 ++ {0.0} {} {} 4.07082 0.08666 0.13844 ++ {0.0} {} {} 36.33010 1.21704 1.90319 ++ {0.0} {} 0.0 0.0240 0 {} 0 535 {} 2.28014 0.00959 0.02654 ++ {0.0} {} {} 4.31532 0.08103 0.10521 ++ {0.0} {} {} 36.28111 1.33624 1.75763 ++ {0.0} {} 0.0 0.0153 0 {} 0 536 {} 2.27831 0.02537 0.02241 ++ {0.0} {} {} 3.58926 0.08295 0.07176 ++ {0.0} {} {} 36.24591 0.75441 0.58547 ++ {0.0} {} 0.0 0.0085 0 {} 0 537 {} 2.26902 0.04168 0.09404 ++ {0.0} {} {} 2.10695 0.12289 0.17556 ++ {0.0} {} {} 36.32716 1.09873 1.89600 ++ {0.0} {} 0.0 0.1941 0 {} 0 538 {} 2.26237 0.01873 0.01377 ++ {0.0} {} {} 1.57138 0.06607 0.08687 ++ {0.0} {} {} 36.29483 0.95328 0.58979 ++ {0.0} {} 0.0 0.0076 0 {} 0 539 {} 3.08361 0.04515 0.09414 ++ {0.0} {} {} 3.57163 0.08586 0.22136 ++ {0.0} {} {} 42.94341 1.00372 1.43388 ++ {0.0} {} 0.0 0.1838 0 {} 0 540 {} 3.08743 0.03262 0.07747 ++ {0.0} {} {} 1.90041 0.10307 0.17667 ++ {0.0} {} {} 42.91690 1.17438 2.04940 ++ {0.0} {} 0.0 0.0370 0 {} 0 541 {} 3.08796 0.02386 0.03138 ++ {0.0} {} {} 1.58116 0.07488 0.09978 ++ {0.0} {} {} 42.85780 0.98781 1.46944 ++ {0.0} {} 0.0 0.0204 0 {} 0 542 {} 3.08421 0.04427 0.06956 ++ {0.0} {} {} 4.15048 0.09587 0.17619 ++ {0.0} {} {} 42.93917 1.12805 1.85841 ++ {0.0} {} 0.0 0.0293 0 {} 0 543 {} 3.08270 0.02219 0.02478 ++ {0.0} {} {} 4.77262 0.06628 0.07963 ++ {0.0} {} {} 43.04925 1.23876 1.54321 ++ {0.0} {} 0.0 0.0139 0 {} 0 544 {} 3.59668 0.01511 0.03569 ++ {0.0} {} {} 2.34662 0.11139 0.13108 ++ {0.0} {} {} 42.97363 1.04109 1.17679 ++ {0.0} {} 0.0 0.0120 0 {} 0 545 {} 3.57619 0.03538 0.06090 ++ {0.0} {} {} 1.90662 0.12731 0.18998 ++ {0.0} {} {} 43.06269 1.13824 1.84347 ++ {0.0} {} 0.0 0.0275 0 {} 0 546 {} 3.58652 0.04820 0.08512 ++ {0.0} {} {} 1.57025 0.09377 0.15803 ++ {0.0} {} {} 42.91219 1.07434 1.66286 ++ {0.0} {} 0.0 0.0231 0 {} 0 547 {} 3.58129 0.05357 0.09124 ++ {0.0} {} {} 4.15136 0.07064 0.13425 ++ {0.0} {} {} 42.94372 1.13400 3.05947 ++ {0.0} {} 0.0 0.0481 0 {} 0 548 {} 3.53647 0.05809 0.10224 ++ {0.0} {} {} 4.78661 0.07702 0.12977 ++ {0.0} {} {} 43.86119 1.05286 1.77069 ++ {0.0} {} 0.0 0.0329 0 {} 0 549 {R55.HD2} 2.92429 0.04089 0.05535 ++ {0.0} {} {R55.HB3} 1.33794 0.09110 0.10846 ++ {0.0} {} {R55.CD} 43.71265 1.24592 1.51010 ++ {0.0} {} 0.0 0.0133 0 {} 0 550 {R55.HD3} 2.60474 0.01261 0.02979 ++ {0.0} {} {R55.HB3} 1.33138 0.09064 0.10071 ++ {0.0} {} {R55.CD} 43.69625 1.46659 1.67066 ++ {0.0} {} 0.0 0.0122 0 {} 0 551 {} 2.91152 0.05553 0.10189 ++ {0.0} {} {} 1.72233 0.08616 0.18751 ++ {0.0} {} {} 42.01236 1.11586 2.76689 ++ {0.0} {} 0.0 0.0503 0 {} 0 552 {} 2.91636 0.06175 0.11433 ++ {0.0} {} {} 2.61156 0.10192 0.19811 ++ {0.0} {} {} 43.68351 1.03892 1.87616 ++ {0.0} {} 0.0 0.0539 0 {} 0 553 {} 2.61411 0.05124 0.09010 ++ {0.0} {} {} 2.91208 0.08073 0.13231 ++ {0.0} {} {} 43.66243 1.17280 2.06638 ++ {0.0} {} 0.0 0.0439 0 {} 0 554 {} 2.61689 0.05063 0.07972 ++ {0.0} {} {} 4.78555 0.05846 0.10032 ++ {0.0} {} {} 43.78955 1.20540 1.94904 ++ {0.0} {} 0.0 0.0273 -1 {} 0 555 {} 4.27057 0.02605 0.02718 ++ {0.0} {} {} 4.99261 0.06245 0.06482 ++ {0.0} {} {} 61.94526 0.59692 0.62694 ++ {0.0} {} 0.0 0.0110 0 {} 0 556 {} 4.26888 0.02776 0.02791 ++ {0.0} {} {} -0.95174 0.09250 0.09322 ++ {0.0} {} {} 62.04671 0.96689 0.98114 ++ {0.0} {} 0.0 0.0106 0 {} 0 557 {} 4.26122 0.03072 0.04389 ++ {0.0} {} {} 0.90352 0.06465 0.08021 ++ {0.0} {} {} 61.37601 1.32804 1.79132 ++ {0.0} {} 0.0 0.0161 0 {} 0 558 {} 4.39698 0.04111 0.07454 ++ {0.0} {} {} 1.94659 0.10005 0.27360 ++ {0.0} {} {} 60.10406 1.09206 2.59399 ++ {0.0} {} 0.0 0.0591 0 {} 0 559 {} 4.39933 0.04067 0.06536 ++ {0.0} {} {} 2.15216 0.08244 0.13297 ++ {0.0} {} {} 60.07875 1.05279 1.83487 ++ {0.0} {} 0.0 0.0353 0 {} 0 560 {} 4.42221 0.03363 0.05411 ++ {0.0} {} {} 1.37025 0.06564 0.14897 ++ {0.0} {} {} 60.15247 1.13248 1.62885 ++ {0.0} {} 0.0 0.0789 0 {} 0 561 {} 4.39670 0.02416 0.04235 ++ {0.0} {} {} 0.97565 0.10026 0.14240 ++ {0.0} {} {} 60.14356 0.93044 1.31604 ++ {0.0} {} 0.0 0.0179 0 {} 0 562 {} 4.39357 0.03362 0.04802 ++ {0.0} {} {} 3.54789 0.08270 0.11212 ++ {0.0} {} {} 60.16443 1.19711 1.87339 ++ {0.0} {} 0.0 0.0240 0 {} 0 563 {} 4.15650 0.03420 0.06621 ++ {0.0} {} {} 3.57014 0.08447 0.19828 ++ {0.0} {} {} 57.28741 1.24412 2.09912 ++ {0.0} {} 0.0 0.0629 0 {} 0 564 {} 4.16275 0.03189 0.05370 ++ {0.0} {} {} 3.08071 0.09348 0.14490 ++ {0.0} {} {} 57.20466 1.15252 1.85575 ++ {0.0} {} 0.0 0.0268 0 {} 0 565 {} 4.16341 0.04083 0.05093 ++ {0.0} {} {} 2.57167 0.08386 0.10268 ++ {0.0} {} {} 57.16042 1.16399 1.50084 ++ {0.0} {} 0.0 0.0147 0 {} 0 566 {} 4.15688 0.02496 0.04633 ++ {0.0} {} {} 2.34321 0.08490 0.15201 ++ {0.0} {} {} 57.23795 0.98695 1.68207 ++ {0.0} {} 0.0 0.0354 0 {} 0 567 {57.HA} 4.08988 0.01721 0.03151 ++ {0.0} {} {57.HG2} 1.40640 0.23011 0.29301 ++ {0.0} {} {57.CA} 57.20864 0.88245 1.44255 ++ {0.0} {} 0.0 0.0286 0 {} 0 568 {57.HA} 4.09353 0.03234 0.05119 ++ {0.0} {} {57.HB3} 1.64073 0.08094 0.16989 ++ {0.0} {} {57.CA} 57.36291 0.95267 1.67191 ++ {0.0} {} 0.0 0.0427 0 {} 0 569 {57.HA} 4.09190 0.03415 0.05834 ++ {0.0} {} {57.HB2} 1.79739 0.08023 0.16505 ++ {0.0} {} {57.CA} 57.30285 1.18115 1.88444 ++ {0.0} {} 0.0 0.0528 0 {} 0 570 {} 4.28951 0.02824 0.03451 ++ {0.0} {} {} 2.81374 0.07460 0.09074 ++ {0.0} {} {} 57.37909 0.92427 1.19970 ++ {0.0} {} 0.0 0.0149 0 {} 0 571 {} 4.31307 0.03985 0.08162 ++ {0.0} {} {} 2.62688 0.11573 0.27588 ++ {0.0} {} {} 55.45027 1.39899 3.47052 ++ {0.0} {} 0.0 0.0422 0 {} 0 572 {} 4.27008 0.04449 0.07161 ++ {0.0} {} {} 2.16456 0.09530 0.27579 ++ {0.0} {} {} 57.48971 1.07842 1.99888 ++ {0.0} {} 0.0 0.0714 0 {} 0 573 {} 4.18719 0.04846 0.09219 ++ {0.0} {} {} 1.59908 0.07208 0.18733 ++ {0.0} {} {} 55.26148 1.22128 2.25846 ++ {0.0} {} 0.0 0.1250 0 {} 0 574 {} 4.31172 0.03793 0.06379 ++ {0.0} {} {} 2.16033 0.10219 0.17355 ++ {0.0} {} {} 55.53574 0.52526 2.02509 ++ {0.0} {} 0.0 0.0423 0 {} 0 575 {} 4.31310 0.03072 0.04389 ++ {0.0} {} {} 1.71161 0.12289 0.17556 ++ {0.0} {} {} 56.33465 1.33924 2.44223 ++ {0.0} {} 0.0 0.0280 0 {} 0 576 {} 4.32188 0.03225 0.04479 ++ {0.0} {} {} 1.45706 0.06106 0.08690 ++ {0.0} {} {} 56.32801 1.74027 2.78759 ++ {0.0} {} 0.0 0.0218 0 {} 0 577 {} 4.26305 0.04241 0.06863 ++ {0.0} {} {} 0.89383 0.11556 0.19634 ++ {0.0} {} {} 56.22953 1.15794 2.09622 ++ {0.0} {} 0.0 0.0552 0 {} 0 578 {} 4.28551 0.05108 0.06974 ++ {0.0} {} {} 2.97932 0.09807 0.16450 ++ {0.0} {} {} 54.53278 1.88730 2.69615 ++ {0.0} {} 0.0 0.0210 0 {} 0 579 {} 0.69036 0.02806 0.04598 ++ {0.0} {} {} -0.58928 0.07253 0.12219 ++ {0.0} {} {} 26.88724 1.30092 2.52343 ++ {0.0} {} 0.0 0.0410 0 {} 0 580 {R54.HB2} 0.70089 0.01255 0.02732 ++ {0.0} {} {R54.HA} 3.40446 0.06671 0.06594 ++ {0.0} {} {R54.CB} 28.46141 0.68439 0.67145 ++ {0.0} {} 0.0 0.0103 0 {} 0 581 {54.HB2} 0.70399 0.01255 0.02732 ++ {0.0} {} {54.HG3} -0.58502 0.06671 0.06594 ++ {0.0} {} {54.CB} 28.46141 0.68439 0.67145 ++ {0.0} {} 0.0 0.0103 0 {} 0 582 {18.HA} 3.57782 0.03788 0.07048 ++ {0.0} {} {18.HD21} -1.06457 0.09141 0.14666 ++ {0.0} {} {18.CA} 58.23640 1.17550 1.85050 ++ {0.0} {} 0.0 0.0355 0 {} 0 583 {} 3.43299 0.02329 0.02120 ++ {0.0} {} {} -1.09672 0.10278 0.09047 ++ {0.0} {} {} 67.74553 0.98556 0.86398 ++ {0.0} {} 0.0 0.0117 0 {} 0 584 {} 3.41769 0.02386 0.05101 ++ {0.0} {} {} 8.60481 0.08172 0.08469 ++ {0.0} {} {} 67.67260 1.03172 1.08664 ++ {0.0} {} 0.0 0.0173 0 {} 0 585 {I34.HA} 3.54844 0.03404 0.03058 ++ {0.0} {} {I34.H} 7.96210 0.05652 0.04855 ++ {0.0} {} {I34.CA} 65.68436 1.25016 1.06553 ++ {0.0} {} 0.0 0.0143 0 {} 0 586 {} 3.88237 0.02350 0.02793 ++ {0.0} {} {} 8.58628 0.13682 0.22572 ++ {0.0} {} {} 64.84281 1.05775 1.27750 ++ {0.0} {} 0.0 0.0207 0 {} 0 587 {} 3.89442 0.03707 0.03905 ++ {0.0} {} {} 8.73434 0.06810 0.07113 ++ {0.0} {} {} 64.88077 1.34442 1.41476 ++ {0.0} {} 0.0 0.0173 0 {} 0 588 {} 3.89155 0.05371 0.05522 ++ {0.0} {} {} 8.17925 0.06620 0.06804 ++ {0.0} {} {} 64.88042 0.93656 0.96265 ++ {0.0} {} 0.0 0.0169 0 {} 0 589 {} 3.82913 0.03987 0.05510 ++ {0.0} {} {} 6.80904 0.09742 0.13304 ++ {0.0} {} {} 63.66002 1.14448 1.57958 ++ {0.0} {} 0.0 0.0265 0 {} 0 590 {} 3.93352 0.03980 0.05760 ++ {0.0} {} {} 8.08054 0.09029 0.13762 ++ {0.0} {} {} 63.90093 1.40595 2.29284 ++ {0.0} {} 0.0 0.0317 0 {} 0 591 {} 3.94241 0.02469 0.02744 ++ {0.0} {} {} 7.93391 0.07357 0.08006 ++ {0.0} {} {} 64.01801 1.20762 1.34638 ++ {0.0} {} 0.0 0.0185 0 {} 0 592 {} 3.93279 0.04356 0.06090 ++ {0.0} {} {} 8.22616 0.09953 0.15194 ++ {0.0} {} {} 63.79980 1.50342 2.20761 ++ {0.0} {} 0.0 0.0279 0 {} 0 593 {} 4.25207 0.02109 0.03013 ++ {0.0} {} {} 7.24396 0.08563 0.09509 ++ {0.0} {} {} 61.19548 1.59365 1.81845 ++ {0.0} {} 0.0 0.0191 0 {} 0 594 {} 4.12780 0.05111 0.08865 ++ {0.0} {} {} 8.08251 0.09327 0.15960 ++ {0.0} {} {} 60.21100 1.18303 1.97453 ++ {0.0} {} 0.0 0.0495 0 {} 0 595 {} 3.93023 0.03981 0.04890 ++ {0.0} {} {} 6.34847 0.07409 0.09723 ++ {0.0} {} {} 60.14914 1.27792 1.84825 ++ {0.0} {} 0.0 0.0285 0 {} 0 596 {} 4.05786 0.03950 0.05643 ++ {0.0} {} {} 7.75141 0.09582 0.14733 ++ {0.0} {} {} 59.99923 1.00864 1.29529 ++ {0.0} {} 0.0 0.0229 0 {} 0 597 {} 4.13370 0.04093 0.04309 ++ {0.0} {} {} 8.47264 0.08551 0.08971 ++ {0.0} {} {} 60.17208 1.03011 1.10305 ++ {0.0} {} 0.0 0.0176 0 {} 0 598 {} 4.13085 0.03962 0.08422 ++ {0.0} {} {} 7.92353 0.08873 0.16841 ++ {0.0} {} {} 60.19704 1.16230 2.00318 ++ {0.0} {} 0.0 0.0593 0 {} 0 599 {} 4.12906 0.03852 0.05633 ++ {0.0} {} {} 8.26154 0.08526 0.12180 ++ {0.0} {} {} 60.17896 1.18962 1.83362 ++ {0.0} {} 0.0 0.0357 0 {} 0 600 {} 4.25836 0.03173 0.04009 ++ {0.0} {} {} 8.17469 0.06443 0.09131 ++ {0.0} {} {} 62.04239 1.19320 1.68941 ++ {0.0} {} 0.0 0.0281 0 {} 0 601 {19.HA} 4.23859 0.03761 0.05962 ++ {0.0} {} {50.HH2} 6.44317 0.08498 0.14774 ++ {0.0} {} {19.CA} 59.15513 0.95455 1.63982 ++ {0.0} {} 0.0 0.0581 0 {} 0 602 {} 4.26951 0.02194 0.03135 ++ {0.0} {} {} 7.92006 0.07572 0.10542 ++ {0.0} {} {} 59.09383 1.01376 1.48487 ++ {0.0} {} 0.0 0.0306 0 {} 0 603 {} 4.26947 0.02194 0.03135 ++ {0.0} {} {} 7.49852 0.09489 0.09857 ++ {0.0} {} {} 57.85543 0.47094 1.07797 ++ {0.0} {} 0.0 0.0171 0 {} 0 604 {} 3.97568 0.02781 0.03543 ++ {0.0} {} {} 8.20957 0.08598 0.10628 ++ {0.0} {} {} 58.34236 0.99536 1.19968 ++ {0.0} {} 0.0 0.0206 0 {} 0 605 {57.HA} 4.09608 0.03389 0.04204 ++ {0.0} {} {57.H} 7.34735 0.08848 0.11781 ++ {0.0} {} {57.CA} 57.21452 1.00014 1.24898 ++ {0.0} {} 0.0 0.0218 0 {} 0 606 {} 4.31248 0.03313 0.03627 ++ {0.0} {} {} 8.32277 0.07554 0.08477 ++ {0.0} {} {} 55.43050 1.11912 1.28590 ++ {0.0} {} 0.0 0.0193 0 {} 0 607 {} 4.28427 0.04316 0.06275 ++ {0.0} {} {} 6.94456 0.09115 0.12741 ++ {0.0} {} {} 54.74289 1.30868 1.91751 ++ {0.0} {} 0.0 0.0307 0 {} 0 608 {} 4.28578 0.03088 0.05379 ++ {0.0} {} {} 7.40624 0.07478 0.11018 ++ {0.0} {} {} 58.15551 0.90385 2.84067 ++ {0.0} {} 0.0 0.0331 0 {} 0 609 {} 4.28501 0.01317 0.01881 ++ {0.0} {} {} 7.48386 0.07415 0.06398 ++ {0.0} {} {} 55.21903 1.23595 1.00685 ++ {0.0} {} 0.0 0.0138 0 {} 0 610 {} 4.18444 0.03433 0.03974 ++ {0.0} {} {} 8.17484 0.06127 0.07546 ++ {0.0} {} {} 55.31693 1.25242 1.64764 ++ {0.0} {} 0.0 0.0240 0 {} 0 611 {54.HA} 3.39450 0.03334 0.02942 ++ {0.0} {} {54.H} 8.15909 0.06760 0.05667 ++ {0.0} {} {54.CA} 56.53004 0.82551 0.65421 ++ {0.0} {} 0.0 0.0136 0 {} 0 612 {} 3.77100 0.01943 0.02219 ++ {0.0} {} {} 8.28887 0.17986 0.24218 ++ {0.0} {} {} 56.39768 1.18044 1.35777 ++ {0.0} {} 0.0 0.0193 0 {} 0 613 {} 4.26903 0.03551 0.03728 ++ {0.0} {} {} 7.95475 0.06076 0.06570 ++ {0.0} {} {} 56.13083 1.38055 1.53094 ++ {0.0} {} 0.0 0.0184 0 {} 0 614 {} 4.28417 0.02808 0.03166 ++ {0.0} {} {} 6.66864 0.09173 0.09797 ++ {0.0} {} {} 54.71589 1.69878 1.87506 ++ {0.0} {} 0.0 0.0183 0 {} 0 615 {} 3.22043 0.03856 0.06231 ++ {0.0} {} {} 3.05281 0.06875 0.12265 ++ {0.0} {} {} 49.55936 0.96369 1.81383 ++ {0.0} {} 0.0 0.1391 0 {} 0 616 {} 3.05457 0.01414 0.02205 ++ {0.0} {} {} 3.21085 0.06810 0.13206 ++ {0.0} {} {} 49.49937 1.15381 1.64831 ++ {0.0} {} 0.0 0.1598 0 {} 0 617 {} 1.34800 0.03648 0.05370 ++ {0.0} {} {} 4.95514 0.07709 0.08980 ++ {0.0} {} {} 47.66381 1.24543 1.53056 ++ {0.0} {} 0.0 0.0213 0 {} 0 618 {} 1.35347 0.03573 0.03051 ++ {0.0} {} {} 8.34914 0.08516 0.07014 ++ {0.0} {} {} 47.73370 1.15994 0.88276 ++ {0.0} {} 0.0 0.0132 0 {} 0 619 {} 3.34531 0.05193 0.07105 ++ {0.0} {} {} 4.78674 0.07915 0.13142 ++ {0.0} {} {} 43.88442 1.00610 1.58496 ++ {0.0} {} 0.0 0.0309 0 {} 0 620 {} 3.34443 0.04574 0.08732 ++ {0.0} {} {} 3.52301 0.09100 0.22572 ++ {0.0} {} {} 43.90266 1.08957 1.55654 ++ {0.0} {} 0.0 0.1470 0 {} 0 621 {R33.HD3} 3.34740 0.04019 0.06762 ++ {0.0} {} {R33.HG3} 1.46693 0.08699 0.22572 ++ {0.0} {} {R33.CD} 43.90162 1.07481 1.69605 ++ {0.0} {} 0.0 0.0311 0 {} 0 622 {} 3.34135 0.04122 0.06532 ++ {0.0} {} {} 1.93677 0.15801 0.22572 ++ {0.0} {} {} 43.86513 1.11437 1.62034 ++ {0.0} {} 0.0 0.0240 0 {} 0 623 {} 3.22108 0.02928 0.04182 ++ {0.0} {} {} 1.65186 0.12516 0.30681 ++ {0.0} {} {} 43.25675 1.18483 3.42212 ++ {0.0} {} 0.0 0.1214 0 {} 0 624 {} 3.22731 0.03989 0.11466 ++ {0.0} {} {} 1.87170 0.11332 0.23871 ++ {0.0} {} {} 43.14069 1.15044 2.04214 ++ {0.0} {} 0.0 0.0583 0 {} 0 625 {} 3.20876 0.01317 0.01881 ++ {0.0} {} {} 4.77653 0.06507 0.07834 ++ {0.0} {} {} 43.07169 1.50384 1.94456 ++ {0.0} {} 0.0 0.0186 0 {} 0 626 {} 1.62531 0.03296 0.03477 ++ {0.0} {} {} 0.90234 0.08991 0.09472 ++ {0.0} {} {} 43.80135 1.07601 1.13673 ++ {0.0} {} 0.0 0.0174 0 {} 0 627 {} 2.89043 0.04009 0.05947 ++ {0.0} {} {} 0.56409 0.07555 0.08477 ++ {0.0} {} {} 40.97295 1.03592 1.20681 ++ {0.0} {} 0.0 0.0196 0 {} 0 628 {} 2.73229 0.04685 0.07900 ++ {0.0} {} {} 7.20549 0.06281 0.09676 ++ {0.0} {} {} 41.04859 1.05498 1.66233 ++ {0.0} {} 0.0 0.0386 0 {} 0 629 {} 2.98720 0.05021 0.08245 ++ {0.0} {} {} 7.20060 0.06368 0.09338 ++ {0.0} {} {} 40.99085 1.26618 1.99063 ++ {0.0} {} 0.0 0.0383 0 {} 0 630 {} 2.99496 0.04029 0.08444 ++ {0.0} {} {} 4.78390 0.10151 0.15678 ++ {0.0} {} {} 42.00571 1.29011 2.70276 ++ {0.0} {} 0.0 0.0381 0 {} 0 631 {} 2.92935 0.01317 0.01881 ++ {0.0} {} {} 4.77380 0.06282 0.09828 ++ {0.0} {} {} 43.87574 0.93763 1.41924 ++ {0.0} {} 0.0 0.0337 -1 {} 0 632 {} 1.47967 0.01734 0.01602 ++ {0.0} {} {} 8.22362 0.07677 0.07065 ++ {0.0} {} {} 42.09114 0.89575 0.82750 ++ {0.0} {} 0.0 0.0152 0 {} 0 633 {} 1.71046 0.03822 0.05365 ++ {0.0} {} {} 7.48537 0.08379 0.11633 ++ {0.0} {} {} 42.06674 1.23436 1.77842 ++ {0.0} {} 0.0 0.0293 0 {} 0 634 {} 1.89175 0.04972 0.05516 ++ {0.0} {} {} 8.22115 0.06571 0.07733 ++ {0.0} {} {} 41.93180 0.97812 1.19292 ++ {0.0} {} 0.0 0.0210 0 {} 0 635 {} 2.74566 0.05455 0.08535 ++ {0.0} {} {} 7.05187 0.07697 0.11402 ++ {0.0} {} {} 40.11833 1.21413 1.82353 ++ {0.0} {} 0.0 0.0324 0 {} 0 636 {} 2.88941 0.02914 0.04163 ++ {0.0} {} {} 8.40776 0.07515 0.05638 ++ {0.0} {} {} 39.56416 1.11110 0.78655 ++ {0.0} {} 0.0 0.0127 0 {} 0 637 {} 3.56840 0.04640 0.05100 ++ {0.0} {} {} 7.82200 0.07210 0.07748 ++ {0.0} {} {} 39.92847 1.04884 1.13076 ++ {0.0} {} 0.0 0.0178 0 {} 0 638 {} 3.56777 0.03877 0.02421 ++ {0.0} {} {} 8.99393 0.06507 0.06294 ++ {0.0} {} {} 39.98467 1.05606 1.00942 ++ {0.0} {} 0.0 0.0157 0 {} 0 639 {} 3.35559 0.03382 0.02728 ++ {0.0} {} {} 8.40510 0.08439 0.07083 ++ {0.0} {} {} 39.45216 1.33456 1.03794 ++ {0.0} {} 0.0 0.0134 0 {} 0 640 {} 2.89124 0.04129 0.05196 ++ {0.0} {} {} 8.05950 0.04513 0.12773 ++ {0.0} {} {} 41.01633 1.00374 1.18053 ++ {0.0} {} 0.0 0.0159 0 {} 0 641 {} 2.72432 0.02102 0.02133 ++ {0.0} {} {} 7.97345 0.08136 0.08255 ++ {0.0} {} {} 41.05510 0.93910 0.95729 ++ {0.0} {} 0.0 0.0134 0 {} 0 642 {22.HB2} 3.17599 0.03072 0.04389 ++ {0.0} {} {22.HD2} 6.95705 0.08295 0.14086 ++ {0.0} {} {22.CB} 39.15612 1.05821 1.70589 ++ {0.0} {} 0.0 0.0338 0 {} 0 643 {22.HB3} 3.08688 0.01367 0.04818 ++ {0.0} {} {22.HD1} 6.94933 0.07313 0.11532 ++ {0.0} {} {22.CB} 39.15609 1.05369 1.58851 ++ {0.0} {} 0.0 0.0266 0 {} 0 644 {} 3.18221 0.06061 0.05814 ++ {0.0} {} {} 5.71558 0.08459 0.07908 ++ {0.0} {} {} 39.00219 1.23212 1.13400 ++ {0.0} {} 0.0 0.0121 0 {} 0 645 {} 3.10227 0.05669 0.05549 ++ {0.0} {} {} 5.71072 0.10586 0.10161 ++ {0.0} {} {} 39.17898 1.22590 1.16304 ++ {0.0} {} 0.0 0.0125 0 {} 0 646 {} 3.17927 0.01947 0.03862 ++ {0.0} {} {} 9.06253 0.05978 0.05585 ++ {0.0} {} {} 39.15871 1.18228 1.09201 ++ {0.0} {} 0.0 0.0122 0 {} 0 647 {} 3.08519 0.02944 0.02856 ++ {0.0} {} {} 9.05135 0.07785 0.07457 ++ {0.0} {} {} 39.19198 0.90621 0.86293 ++ {0.0} {} 0.0 0.0125 0 {} 0 648 {13.HB3} 2.89061 0.05020 0.06314 ++ {0.0} {} {13.HD2} 7.25642 0.12566 0.17305 ++ {0.0} {} {13.CB} 39.89440 1.15099 1.54102 ++ {0.0} {} 0.0 0.0198 0 {} 0 649 {} 3.36598 0.05701 0.11258 ++ {0.0} {} {} 4.25115 0.09512 0.14349 ++ {0.0} {} {} 39.52940 1.07911 1.74536 ++ {0.0} {} 0.0 0.0343 0 {} 0 650 {13.HB2} 3.36192 0.05033 0.11080 ++ {0.0} {} {13.HB3} 2.88331 0.09455 0.27588 ++ {0.0} {} {13.CB} 39.77833 1.42241 2.03202 ++ {0.0} {} 0.0 0.1345 0 {} 0 651 {13.HB2} 3.37384 0.03072 0.04389 ++ {0.0} {} {13.HD1} 7.23709 0.09397 0.11685 ++ {0.0} {} {13.CB} 39.86602 1.07891 1.30519 ++ {0.0} {} 0.0 0.0166 0 {} 0 652 {} 3.30632 0.03320 0.04673 ++ {0.0} {} {} 7.80344 0.08264 0.12407 ++ {0.0} {} {} 40.01830 0.85644 1.30474 ++ {0.0} {} 0.0 0.0275 0 {} 0 653 {} 3.25890 0.02194 0.03135 ++ {0.0} {} {} 7.42094 0.09432 0.14266 ++ {0.0} {} {} 40.05160 1.23835 1.71158 ++ {0.0} {} 0.0 0.0212 -1 {} 0 654 {} 2.05641 0.03502 0.05635 ++ {0.0} {} {} 1.46901 0.10742 0.14779 ++ {0.0} {} {} 38.17350 1.16839 1.64712 ++ {0.0} {} 0.0 0.0222 0 {} 0 655 {} 2.05732 0.04165 0.07641 ++ {0.0} {} {} 2.33867 0.08386 0.16064 ++ {0.0} {} {} 38.19656 1.07464 2.52754 ++ {0.0} {} 0.0 0.1437 0 {} 0 656 {} 2.05895 0.05018 0.06705 ++ {0.0} {} {} 3.70410 0.08517 0.11782 ++ {0.0} {} {} 38.17767 1.07272 1.60008 ++ {0.0} {} 0.0 0.0258 0 {} 0 657 {} 0.49342 0.05139 0.13421 ++ {0.0} {} {} -1.06765 0.08621 0.18660 ++ {0.0} {} {} 37.49868 1.14130 2.09305 ++ {0.0} {} 0.0 0.0790 0 {} 0 658 {} 0.49197 0.02824 0.04034 ++ {0.0} {} {} 8.17968 0.07837 0.08337 ++ {0.0} {} {} 37.66329 1.01302 1.10697 ++ {0.0} {} 0.0 0.0145 0 {} 0 659 {} 1.97253 0.04659 0.07503 ++ {0.0} {} {} 8.58105 0.08021 0.12671 ++ {0.0} {} {} 38.23837 1.09440 1.74809 ++ {0.0} {} 0.0 0.0326 0 {} 0 660 {} 1.76520 0.04251 0.06946 ++ {0.0} {} {} 8.67411 0.07298 0.10769 ++ {0.0} {} {} 38.18013 1.24391 1.90405 ++ {0.0} {} 0.0 0.0272 0 {} 0 661 {53.HB2} 2.62837 0.04615 0.05028 ++ {0.0} {} {53.H} 8.32042 0.07273 0.08018 ++ {0.0} {} {53.CB} 38.08205 0.88570 1.00352 ++ {0.0} {} 0.0 0.0151 0 {} 0 662 {53.HB3} 2.43047 0.04236 0.04539 ++ {0.0} {} {53.H} 8.29340 0.08851 0.09420 ++ {0.0} {} {53.CB} 37.95560 0.94522 1.03236 ++ {0.0} {} 0.0 0.0144 0 {} 0 663 {} 1.88886 0.02685 0.03290 ++ {0.0} {} {} 7.69391 0.08303 0.10791 ++ {0.0} {} {} 38.21640 1.35616 1.83109 ++ {0.0} {} 0.0 0.0199 0 {} 0 664 {} 1.89847 0.05121 0.07952 ++ {0.0} {} {} 7.95910 0.06693 0.09664 ++ {0.0} {} {} 38.26294 1.07159 1.71875 ++ {0.0} {} 0.0 0.0331 0 {} 0 665 {} 1.96081 0.03139 0.03331 ++ {0.0} {} {} 8.24800 0.08484 0.09167 ++ {0.0} {} {} 38.15530 0.90381 1.00723 ++ {0.0} {} 0.0 0.0148 0 {} 0 666 {} 1.75874 0.02360 0.02249 ++ {0.0} {} {} 8.28097 0.07946 0.07560 ++ {0.0} {} {} 38.11188 0.85288 0.79538 ++ {0.0} {} 0.0 0.0123 0 {} 0 667 {} 1.96477 0.02336 0.06941 ++ {0.0} {} {} 8.07661 0.07834 0.09452 ++ {0.0} {} {} 38.21965 0.99892 1.25773 ++ {0.0} {} 0.0 0.0177 0 {} 0 668 {} 1.77504 0.03510 0.03177 ++ {0.0} {} {} 8.43865 0.07499 0.06177 ++ {0.0} {} {} 38.08130 0.93862 0.73884 ++ {0.0} {} 0.0 0.0108 0 {} 0 669 {} 2.16341 0.05452 0.06156 ++ {0.0} {} {} 3.70075 0.08400 0.09602 ++ {0.0} {} {} 36.47785 1.23522 1.46375 ++ {0.0} {} 0.0 0.0161 0 {} 0 670 {} 2.59265 0.03215 0.04045 ++ {0.0} {} {} 7.80031 0.08496 0.10093 ++ {0.0} {} {} 36.36145 1.10401 1.39406 ++ {0.0} {} 0.0 0.0178 0 {} 0 671 {} 2.16458 0.03072 0.04389 ++ {0.0} {} {} 8.47162 0.08592 0.09551 ++ {0.0} {} {} 36.47646 1.00037 1.15067 ++ {0.0} {} 0.0 0.0154 0 {} 0 672 {} 2.16242 0.07358 0.07030 ++ {0.0} {} {} 8.62266 0.06775 0.06318 ++ {0.0} {} {} 36.48584 1.61443 1.46764 ++ {0.0} {} 0.0 0.0120 0 {} 0 673 {} 2.16471 0.04487 0.04988 ++ {0.0} {} {} 8.01147 0.08150 0.09152 ++ {0.0} {} {} 36.66125 1.14002 1.34001 ++ {0.0} {} 0.0 0.0159 0 {} 0 674 {} 1.56718 0.03385 0.03509 ++ {0.0} {} {} 7.69850 0.08314 0.08683 ++ {0.0} {} {} 36.21856 1.05904 1.11946 ++ {0.0} {} 0.0 0.0139 0 {} 0 675 {} 1.68851 0.06148 0.03404 ++ {0.0} {} {} 7.72218 0.07238 0.06039 ++ {0.0} {} {} 36.32410 1.08026 0.81239 ++ {0.0} {} 0.0 0.0105 0 {} 0 676 {} 2.77773 0.03966 0.05608 ++ {0.0} {} {} 3.55211 0.07289 0.09047 ++ {0.0} {} {} 35.20160 1.06117 1.39514 ++ {0.0} {} 0.0 0.0191 0 {} 0 677 {} 2.77760 0.04561 0.05679 ++ {0.0} {} {} 1.58672 0.16018 0.21607 ++ {0.0} {} {} 35.11666 1.13944 1.45025 ++ {0.0} {} 0.0 0.0180 0 {} 0 678 {} 2.77875 0.07176 0.21088 ++ {0.0} {} {} 2.43865 0.10296 0.27004 ++ {0.0} {} {} 35.15054 1.23708 1.76726 ++ {0.0} {} 0.0 0.0864 0 {} 0 679 {} 2.77850 0.02270 0.01784 ++ {0.0} {} {} 0.69792 0.09178 0.07549 ++ {0.0} {} {} 35.12638 0.92206 0.69140 ++ {0.0} {} 0.0 0.0105 0 {} 0 680 {} 2.77898 0.02181 0.03116 ++ {0.0} {} {} 7.73354 0.11234 0.11318 ++ {0.0} {} {} 35.05963 1.36429 1.37489 ++ {0.0} {} 0.0 0.0132 0 {} 0 681 {} 2.44090 0.05734 0.06441 ++ {0.0} {} {} 7.71305 0.07872 0.08792 ++ {0.0} {} {} 35.22865 1.14045 1.34347 ++ {0.0} {} 0.0 0.0160 0 {} 0 682 {} 2.44637 0.03153 0.03436 ++ {0.0} {} {} 7.24804 0.08532 0.09146 ++ {0.0} {} {} 35.45508 1.13578 1.22636 ++ {0.0} {} 0.0 0.0143 0 {} 0 683 {} 2.58233 0.06343 0.08573 ++ {0.0} {} {} 4.06225 0.09328 0.14756 ++ {0.0} {} {} 36.14952 1.44683 2.75037 ++ {0.0} {} 0.0 0.0307 0 {} 0 684 {} 2.48315 0.05677 0.06423 ++ {0.0} {} {} 4.07030 0.08322 0.10504 ++ {0.0} {} {} 35.57312 1.19176 1.48086 ++ {0.0} {} 0.0 0.0173 0 {} 0 685 {} 2.55590 0.03015 0.04307 ++ {0.0} {} {} 4.23764 0.08648 0.07798 ++ {0.0} {} {} 35.35211 1.36946 1.20518 ++ {0.0} {} 0.0 0.0117 0 {} 0 686 {} 2.39452 0.01351 0.02615 ++ {0.0} {} {} 4.23810 0.06990 0.06158 ++ {0.0} {} {} 35.17891 1.27418 1.05003 ++ {0.0} {} 0.0 0.0112 0 {} 0 687 {} 1.95438 0.03179 0.04987 ++ {0.0} {} {} 8.56040 0.08435 0.10954 ++ {0.0} {} {} 33.35054 1.23215 1.67227 ++ {0.0} {} 0.0 0.0204 0 {} 0 688 {} 2.15291 0.04892 0.07368 ++ {0.0} {} {} 8.55910 0.08355 0.13102 ++ {0.0} {} {} 33.36647 1.10644 1.68752 ++ {0.0} {} 0.0 0.0276 0 {} 0 689 {} 2.80677 0.02860 0.02625 ++ {0.0} {} {} 7.47960 0.05515 0.04631 ++ {0.0} {} {} 32.31672 0.90320 0.75128 ++ {0.0} {} 0.0 0.0112 0 {} 0 690 {57.HB2} 1.80280 0.03879 0.04458 ++ {0.0} {} {57.H} 7.34887 0.09015 0.09732 ++ {0.0} {} {57.CB} 32.48980 1.25375 1.39424 ++ {0.0} {} 0.0 0.0148 0 {} 0 691 {57.HB3} 1.63653 0.04091 0.05537 ++ {0.0} {} {57.H} 7.35039 0.07257 0.09963 ++ {0.0} {} {57.CB} 32.50880 1.11285 1.55355 ++ {0.0} {} 0.0 0.0217 0 {} 0 692 {} 2.17182 0.04709 0.09762 ++ {0.0} {} {} 7.48310 0.07577 0.11483 ++ {0.0} {} {} 32.40214 1.06516 1.63879 ++ {0.0} {} 0.0 0.0284 0 {} 0 693 {} 1.93466 0.03526 0.07279 ++ {0.0} {} {} 7.73193 0.08466 0.16532 ++ {0.0} {} {} 32.49992 0.92482 1.58887 ++ {0.0} {} 0.0 0.0465 0 {} 0 694 {} 2.66236 0.03874 0.02475 ++ {0.0} {} {} 7.49764 0.08929 0.07843 ++ {0.0} {} {} 32.37164 1.19424 0.99103 ++ {0.0} {} 0.0 0.0112 0 {} 0 695 {} 1.31386 0.01343 0.02629 ++ {0.0} {} {} 6.93050 0.12029 0.10248 ++ {0.0} {} {} 31.35716 0.96131 0.81338 ++ {0.0} {} 0.0 0.0114 0 {} 0 696 {} 1.33433 0.04565 0.06876 ++ {0.0} {} {} 3.85560 0.08545 0.12233 ++ {0.0} {} {} 29.44295 1.40648 2.03993 ++ {0.0} {} 0.0 0.0239 0 {} 0 697 {} 1.32613 0.02442 0.02031 ++ {0.0} {} {} 3.93699 0.09483 0.08205 ++ {0.0} {} {} 31.46433 1.39184 1.13788 ++ {0.0} {} 0.0 0.0111 0 {} 0 698 {} 1.33121 0.04424 0.02953 ++ {0.0} {} {} 8.57810 0.06580 0.05067 ++ {0.0} {} {} 29.45849 0.84903 0.60960 ++ {0.0} {} 0.0 0.0102 0 {} 0 699 {} 1.05181 0.01647 0.01090 ++ {0.0} {} {} 7.97215 0.07358 0.04797 ++ {0.0} {} {} 29.59127 0.82355 0.53036 ++ {0.0} {} 0.0 0.0097 0 {} 0 700 {} 3.32940 0.07066 0.09810 ++ {0.0} {} {} 8.24036 0.10841 0.14892 ++ {0.0} {} {} 29.51682 1.20452 1.83266 ++ {0.0} {} 0.0 0.0274 0 {} 0 701 {} 3.34376 0.04067 0.06194 ++ {0.0} {} {} 8.01564 0.07375 0.12589 ++ {0.0} {} {} 29.54910 1.02606 1.68480 ++ {0.0} {} 0.0 0.0366 0 {} 0 702 {} 3.21175 0.03452 0.05967 ++ {0.0} {} {} 7.93443 0.06906 0.09917 ++ {0.0} {} {} 29.46801 1.04900 1.66848 ++ {0.0} {} 0.0 0.0320 0 {} 0 703 {} 2.37212 0.01317 0.01881 ++ {0.0} {} {} 7.25382 0.08033 0.09690 ++ {0.0} {} {} 28.75240 0.94595 1.15492 ++ {0.0} {} 0.0 0.0168 0 {} 0 704 {} 2.36454 0.07279 0.08869 ++ {0.0} {} {} 7.88981 0.07131 0.08973 ++ {0.0} {} {} 28.75278 1.34104 1.82532 ++ {0.0} {} 0.0 0.0205 0 {} 0 705 {} 2.27386 0.02776 0.07742 ++ {0.0} {} {} 8.19440 0.09708 0.15153 ++ {0.0} {} {} 28.66294 0.92444 1.29082 ++ {0.0} {} 0.0 0.0217 0 {} 0 706 {} 2.18495 0.05898 0.07219 ++ {0.0} {} {} 8.16087 0.09263 0.16246 ++ {0.0} {} {} 28.70797 1.20971 1.65127 ++ {0.0} {} 0.0 0.0207 0 {} 0 707 {} 2.64215 0.03072 0.04389 ++ {0.0} {} {} 7.76379 0.06929 0.07481 ++ {0.0} {} {} 27.76697 0.83493 0.91048 ++ {0.0} {} 0.0 0.0144 0 {} 0 708 {} 1.55143 0.03072 0.04389 ++ {0.0} {} {} 8.02203 0.06039 0.06643 ++ {0.0} {} {} 27.86648 1.16910 1.32163 ++ {0.0} {} 0.0 0.0151 0 {} 0 709 {54.HB2} 0.68112 0.02194 0.03135 ++ {0.0} {} {54.H} 8.13801 0.08076 0.08603 ++ {0.0} {} {54.CB} 28.39629 1.04728 1.13975 ++ {0.0} {} 0.0 0.0144 0 {} 0 710 {54.HB3} -0.30710 0.04219 0.03828 ++ {0.0} {} {54.H} 8.16041 0.07045 0.05960 ++ {0.0} {} {54.CB} 28.51267 0.77816 0.61829 ++ {0.0} {} 0.0 0.0109 0 {} 0 711 {} 1.69701 0.03347 0.05015 ++ {0.0} {} {} 8.66656 0.07277 0.09801 ++ {0.0} {} {} 28.66638 1.02014 1.51129 ++ {0.0} {} 0.0 0.0253 0 {} 0 712 {} 0.71154 0.03461 0.04278 ++ {0.0} {} {} 10.59240 0.06856 0.08859 ++ {0.0} {} {} 26.81192 1.17605 1.64130 ++ {0.0} {} 0.0 0.0217 0 {} 0 713 {} 1.80920 0.02793 0.03990 ++ {0.0} {} {} 10.59085 0.07139 0.08758 ++ {0.0} {} {} 26.91363 1.17633 1.50725 ++ {0.0} {} 0.0 0.0183 0 {} 0 714 {} 0.22546 0.02054 0.01817 ++ {0.0} {} {} 7.72164 0.08888 0.07700 ++ {0.0} {} {} 26.73608 1.05970 0.86993 ++ {0.0} {} 0.0 0.0111 0 {} 0 715 {L42.HD11} 0.69203 0.02453 0.03374 ++ {0.0} {} {Q14.HE22} 6.80333 0.08200 0.10782 ++ {0.0} {} {L42.CD1} 26.85654 1.01977 1.41240 ++ {0.0} {} 0.0 0.0213 0 {} 0 716 {} 0.69029 0.02561 0.03296 ++ {0.0} {} {} 7.05190 0.06746 0.08282 ++ {0.0} {} {} 26.84340 0.98927 1.28825 ++ {0.0} {} 0.0 0.0188 0 {} 0 717 {L42.HD11} 0.68813 0.03919 0.02565 ++ {0.0} {} {Q14.HE21} 7.70044 0.09252 0.07551 ++ {0.0} {} {L42.CD1} 26.68053 1.07493 0.77884 ++ {0.0} {} 0.0 0.0103 0 {} 0 718 {} 0.69039 0.02322 0.02819 ++ {0.0} {} {} 8.31717 0.11299 0.14777 ++ {0.0} {} {} 26.70128 1.22293 1.53378 ++ {0.0} {} 0.0 0.0176 0 {} 0 719 {} 1.78501 0.00906 0.01840 ++ {0.0} {} {} 8.21554 0.08443 0.07406 ++ {0.0} {} {} 26.79763 0.92211 0.79241 ++ {0.0} {} 0.0 0.0115 0 {} 0 720 {} 1.67836 0.01144 0.02269 ++ {0.0} {} {} 7.39246 0.06576 0.06014 ++ {0.0} {} {} 26.68808 1.14558 0.98430 ++ {0.0} {} 0.0 0.0115 0 {} 0 721 {} 1.67865 0.03517 0.03670 ++ {0.0} {} {} 7.55822 0.09412 0.09732 ++ {0.0} {} {} 26.73887 1.13526 1.17314 ++ {0.0} {} 0.0 0.0136 0 {} 0 722 {} 1.95230 0.01928 0.02353 ++ {0.0} {} {} 8.30478 0.07041 0.08413 ++ {0.0} {} {} 26.72108 1.07360 1.31139 ++ {0.0} {} 0.0 0.0168 0 {} 0 723 {} 1.12413 0.03340 0.06417 ++ {0.0} {} {} 8.17954 0.07608 0.09994 ++ {0.0} {} {} 25.77214 0.93108 1.30750 ++ {0.0} {} 0.0 0.0220 0 {} 0 724 {} 1.10737 0.03301 0.04276 ++ {0.0} {} {} -1.06621 0.07664 0.08898 ++ {0.0} {} {} 25.68474 0.73129 0.92093 ++ {0.0} {} 0.0 0.0177 0 {} 0 725 {} 1.51197 0.03072 0.04389 ++ {0.0} {} {} 10.59276 0.07129 0.08602 ++ {0.0} {} {} 24.79490 1.51172 2.01566 ++ {0.0} {} 0.0 0.0197 0 {} 0 726 {} 3.25337 0.01554 0.02746 ++ {0.0} {} {} 1.70366 0.12902 0.27528 ++ {0.0} {} {} 26.70988 1.12344 1.60492 ++ {0.0} {} 0.0 0.4843 0 {} 0 727 {} 3.25337 0.01554 0.02746 ++ {0.0} {} {} 1.70366 0.12902 0.27528 ++ {0.0} {} {} 26.70988 1.12344 1.60492 ++ {0.0} {} 0.0 0.4843 0 {} 0 728 {} 3.25303 0.01578 0.02562 ++ {0.0} {} {} 1.91107 0.07718 0.15794 ++ {0.0} {} {} 26.70218 1.15640 1.99078 ++ {0.0} {} 0.0 0.0885 0 {} 0 729 {} 0.56389 0.02809 0.04249 ++ {0.0} {} {} 7.29478 0.09289 0.14267 ++ {0.0} {} {} 23.84880 1.20939 1.72858 ++ {0.0} {} 0.0 0.0230 0 {} 0 730 {} 0.92733 0.02655 0.05477 ++ {0.0} {} {} 6.82080 0.09822 0.15926 ++ {0.0} {} {} 23.88300 1.02229 1.70795 ++ {0.0} {} 0.0 0.0398 0 {} 0 731 {} 0.56172 0.02042 0.02834 ++ {0.0} {} {} 7.75710 0.12115 0.17307 ++ {0.0} {} {} 23.90510 1.13353 1.54802 ++ {0.0} {} 0.0 0.0207 0 {} 0 732 {} 0.55940 0.01713 0.04389 ++ {0.0} {} {} 8.06135 0.11843 0.17556 ++ {0.0} {} {} 23.91433 1.00252 1.62066 ++ {0.0} {} 0.0 0.0342 0 {} 0 733 {L42.HD21} 0.92525 0.01632 0.02341 ++ {0.0} {} {Q14.HE21} 7.72229 0.06652 0.08017 ++ {0.0} {} {L42.CD2} 23.70826 0.68778 0.87748 ++ {0.0} {} 0.0 0.0181 0 {} 0 734 {} 0.88319 0.02411 0.03583 ++ {0.0} {} {} 6.34706 0.07919 0.11718 ++ {0.0} {} {} 23.95784 1.07023 1.66640 ++ {0.0} {} 0.0 0.0296 0 {} 0 735 {} 0.88404 0.02366 0.03790 ++ {0.0} {} {} 6.93835 0.10164 0.16017 ++ {0.0} {} {} 23.96669 1.11038 1.75032 ++ {0.0} {} 0.0 0.0310 0 {} 0 736 {} 0.92544 0.02029 0.03299 ++ {0.0} {} {} 7.03942 0.07130 0.10823 ++ {0.0} {} {} 23.81316 0.77103 1.17763 ++ {0.0} {} 0.0 0.0277 0 {} 0 737 {} 1.00415 0.03475 0.07027 ++ {0.0} {} {} 10.59143 0.06572 0.08061 ++ {0.0} {} {} 23.79919 1.01837 1.29532 ++ {0.0} {} 0.0 0.0180 0 {} 0 738 {} 0.46274 0.02918 0.06336 ++ {0.0} {} {} 7.61033 0.08978 0.30245 ++ {0.0} {} {} 22.93635 0.97747 1.71041 ++ {0.0} {} 0.0 0.0524 0 {} 0 739 {} 0.46348 0.02819 0.04807 ++ {0.0} {} {} 10.60637 0.08639 0.16756 ++ {0.0} {} {} 22.92766 1.08467 2.07046 ++ {0.0} {} 0.0 0.0549 0 {} 0 740 {} -0.58998 0.02753 0.04821 ++ {0.0} {} {} 10.60248 0.09138 0.16099 ++ {0.0} {} {} 22.92192 1.11985 2.08863 ++ {0.0} {} 0.0 0.0508 0 {} 0 741 {} -0.59061 0.02263 0.02743 ++ {0.0} {} {} 6.75776 0.08620 0.10991 ++ {0.0} {} {} 22.96023 1.04149 1.33179 ++ {0.0} {} 0.0 0.0182 0 {} 0 742 {} -0.59449 0.03251 0.03587 ++ {0.0} {} {} 7.05189 0.06936 0.07669 ++ {0.0} {} {} 22.86297 1.01312 1.15636 ++ {0.0} {} 0.0 0.0153 0 {} 0 743 {} -0.59767 0.02494 0.01914 ++ {0.0} {} {} 8.16762 0.08479 0.06302 ++ {0.0} {} {} 22.87522 1.19342 0.79854 ++ {0.0} {} 0.0 0.0099 0 {} 0 744 {40.HD21} 0.73162 0.02336 0.04424 ++ {0.0} {} {13.HE1} 7.30535 0.15487 0.19814 ++ {0.0} {} {40.CD2} 22.93998 1.02517 1.62276 ++ {0.0} {} 0.0 0.0314 0 {} 0 745 {} 1.33954 0.02482 0.03370 ++ {0.0} {} {} 5.56880 0.07093 0.09655 ++ {0.0} {} {} 21.96020 1.01614 1.50363 ++ {0.0} {} 0.0 0.0252 0 {} 0 746 {} 1.39337 0.02055 0.03639 ++ {0.0} {} {} 5.92994 0.07087 0.13553 ++ {0.0} {} {} 21.94356 1.12480 1.92816 ++ {0.0} {} 0.0 0.0427 0 {} 0 747 {} 1.37217 0.02047 0.03547 ++ {0.0} {} {} 7.55661 0.08843 0.13579 ++ {0.0} {} {} 22.06803 1.08685 1.76008 ++ {0.0} {} 0.0 0.0345 0 {} 0 748 {} 1.37099 0.02286 0.03734 ++ {0.0} {} {} 7.71084 0.08074 0.13092 ++ {0.0} {} {} 22.03189 1.01654 1.66632 ++ {0.0} {} 0.0 0.0364 0 {} 0 749 {} 1.39168 0.02432 0.04145 ++ {0.0} {} {} 9.21171 0.08351 0.13839 ++ {0.0} {} {} 21.94434 1.18790 2.08461 ++ {0.0} {} 0.0 0.0485 0 {} 0 750 {} 1.40922 0.05030 0.07143 ++ {0.0} {} {} 10.59285 0.08126 0.11126 ++ {0.0} {} {} 21.95850 0.96848 1.44527 ++ {0.0} {} 0.0 0.0258 0 {} 0 751 {} 1.33362 0.02415 0.04269 ++ {0.0} {} {} 8.75628 0.08589 0.14069 ++ {0.0} {} {} 21.94654 1.03180 1.76757 ++ {0.0} {} 0.0 0.0457 0 {} 0 752 {} 1.60132 0.02391 0.03542 ++ {0.0} {} {} 8.47085 0.07716 0.10063 ++ {0.0} {} {} 18.95363 1.01742 1.45709 ++ {0.0} {} 0.0 0.0231 0 {} 0 753 {} 1.59812 0.02430 0.06051 ++ {0.0} {} {} 8.16236 0.07968 0.12975 ++ {0.0} {} {} 18.93704 1.10624 1.92794 ++ {0.0} {} 0.0 0.0510 0 {} 0 754 {} 0.98481 0.03096 0.04583 ++ {0.0} {} {} 7.72057 0.09773 0.14768 ++ {0.0} {} {} 19.11157 1.06584 1.58775 ++ {0.0} {} 0.0 0.0257 0 {} 0 755 {} 1.47379 0.02473 0.03859 ++ {0.0} {} {} 7.92475 0.08074 0.12361 ++ {0.0} {} {} 17.28710 1.24817 2.01822 ++ {0.0} {} 0.0 0.0342 0 {} 0 756 {} 1.47302 0.02781 0.04825 ++ {0.0} {} {} 8.08357 0.09174 0.14076 ++ {0.0} {} {} 17.29430 1.05495 1.72875 ++ {0.0} {} 0.0 0.0363 0 {} 0 757 {} 1.47524 0.02886 0.05703 ++ {0.0} {} {} 8.34400 0.08587 0.15841 ++ {0.0} {} {} 17.30696 1.08266 1.92033 ++ {0.0} {} 0.0 0.0580 0 {} 0 758 {} 1.01913 0.01521 0.01186 ++ {0.0} {} {} 8.14318 0.07844 0.06121 ++ {0.0} {} {} 17.19173 0.70559 0.53513 ++ {0.0} {} 0.0 0.0106 0 {} 0 759 {} 1.02593 0.02869 0.03076 ++ {0.0} {} {} 8.65193 0.05691 0.06058 ++ {0.0} {} {} 17.28528 0.75051 0.81650 ++ {0.0} {} 0.0 0.0144 0 {} 0 760 {} 1.02711 0.02881 0.03335 ++ {0.0} {} {} 6.80472 0.10498 0.13440 ++ {0.0} {} {} 17.23508 1.31332 1.54112 ++ {0.0} {} 0.0 0.0159 0 {} 0 761 {} 1.02463 0.01852 0.02220 ++ {0.0} {} {} 6.94524 0.09661 0.12433 ++ {0.0} {} {} 17.22431 1.24727 1.55338 ++ {0.0} {} 0.0 0.0174 0 {} 0 762 {} 1.02513 0.01941 0.02404 ++ {0.0} {} {} 7.34446 0.06519 0.07959 ++ {0.0} {} {} 17.27397 1.00065 1.22928 ++ {0.0} {} 0.0 0.0170 0 {} 0 763 {} 1.02958 0.02056 0.01957 ++ {0.0} {} {} 7.48599 0.07624 0.07360 ++ {0.0} {} {} 17.31120 1.22848 1.17513 ++ {0.0} {} 0.0 0.0126 0 {} 0 764 {} 0.88373 0.04491 0.04483 ++ {0.0} {} {} 10.59262 0.06962 0.06946 ++ {0.0} {} {} 17.19218 1.54355 1.53739 ++ {0.0} {} 0.0 0.0131 0 {} 0 765 {} 1.48863 0.03066 0.04001 ++ {0.0} {} {} 10.59386 0.07783 0.09613 ++ {0.0} {} {} 17.23317 1.08028 1.44233 ++ {0.0} {} 0.0 0.0197 0 {} 0 766 {} 0.84992 0.02357 0.02637 ++ {0.0} {} {} 7.76003 0.09501 0.10657 ++ {0.0} {} {} 17.18678 0.91202 1.05802 ++ {0.0} {} 0.0 0.0156 0 {} 0 767 {} 0.85580 0.01108 0.02263 ++ {0.0} {} {} 8.05224 0.08921 0.07944 ++ {0.0} {} {} 17.34081 0.74855 0.67564 ++ {0.0} {} 0.0 0.0120 0 {} 0 768 {} 0.86008 0.02154 0.03397 ++ {0.0} {} {} 8.22975 0.07361 0.08552 ++ {0.0} {} {} 17.22808 1.26410 1.48402 ++ {0.0} {} 0.0 0.0159 0 {} 0 769 {15.HG21} 1.32485 0.02126 0.02716 ++ {0.0} {} {50.HZ2} 7.18927 0.07559 0.09215 ++ {0.0} {} {15.CG2} 22.05286 1.28709 1.69211 ++ {0.0} {} 0.0 0.0191 0 {} 0 770 {} 2.30470 0.02194 0.03135 ++ {0.0} {} {} 10.59371 0.06700 0.07721 ++ {0.0} {} {} 29.64279 1.61861 2.04512 ++ {0.0} {} 0.0 0.0173 0 {} 0 771 {} 1.74591 0.04081 0.12712 ++ {0.0} {} {} 3.54078 0.07946 0.12776 ++ {0.0} {} {} 29.60466 1.02758 1.66850 ++ {0.0} {} 0.0 0.0349 0 {} 0 772 {} 1.71986 0.01686 0.05121 ++ {0.0} {} {} 4.25840 0.08785 0.10185 ++ {0.0} {} {} 29.44290 0.80267 0.92510 ++ {0.0} {} 0.0 0.0155 0 {} 0 773 {} 1.75921 0.03076 0.03569 ++ {0.0} {} {} 8.56742 0.08081 0.10029 ++ {0.0} {} {} 29.49919 1.08752 1.41514 ++ {0.0} {} 0.0 0.0188 0 {} 0 774 {} 1.67060 0.02510 0.03414 ++ {0.0} {} {} 7.65247 0.07898 0.08873 ++ {0.0} {} {} 30.26001 1.05634 1.24309 ++ {0.0} {} 0.0 0.0159 0 {} 0 775 {} 1.70248 0.02194 0.03135 ++ {0.0} {} {} 7.78956 0.09848 0.12132 ++ {0.0} {} {} 29.65689 1.08611 1.33455 ++ {0.0} {} 0.0 0.0170 0 {} 0 776 {} 1.74675 0.03710 0.05656 ++ {0.0} {} {} 7.88231 0.10049 0.14912 ++ {0.0} {} {} 29.63177 1.01405 1.54647 ++ {0.0} {} 0.0 0.0276 0 {} 0 777 {} 1.73837 0.03320 0.05221 ++ {0.0} {} {} 8.03208 0.08682 0.13463 ++ {0.0} {} {} 29.61909 0.83103 1.26279 ++ {0.0} {} 0.0 0.0273 0 {} 0 778 {} 1.70397 0.03170 0.04900 ++ {0.0} {} {} 8.33202 0.06622 0.08785 ++ {0.0} {} {} 29.65738 1.04768 1.45115 ++ {0.0} {} 0.0 0.0213 0 {} 0 779 {} 1.90516 0.03072 0.04389 ++ {0.0} {} {} 7.62491 0.09791 0.11371 ++ {0.0} {} {} 29.68073 1.20810 1.46864 ++ {0.0} {} 0.0 0.0167 0 {} 0 780 {} 1.94391 0.04248 0.10364 ++ {0.0} {} {} 7.82982 0.08162 0.20520 ++ {0.0} {} {} 32.48292 1.00490 1.77378 ++ {0.0} {} 0.0 0.0558 0 {} 0 781 {} 1.94391 0.04248 0.10364 ++ {0.0} {} {} 7.82982 0.08162 0.20520 ++ {0.0} {} {} 32.48292 1.00490 1.77378 ++ {0.0} {} 0.0 0.0558 0 {} 0 782 {} 2.07206 0.05380 0.06613 ++ {0.0} {} {} 7.90237 0.10755 0.12417 ++ {0.0} {} {} 29.73286 1.19946 1.50748 ++ {0.0} {} 0.0 0.0176 0 {} 0 783 {} 1.90395 0.03072 0.04389 ++ {0.0} {} {} 8.32768 0.08303 0.12170 ++ {0.0} {} {} 29.83223 1.26688 1.88887 ++ {0.0} {} 0.0 0.0258 0 {} 0 784 {} 1.79532 0.04860 0.05789 ++ {0.0} {} {} 4.15569 0.07512 0.09917 ++ {0.0} {} {} 29.73581 1.00063 1.38576 ++ {0.0} {} 0.0 0.0213 0 {} 0 785 {} 1.82623 0.02194 0.03135 ++ {0.0} {} {} 4.04269 0.04979 0.13000 ++ {0.0} {} {} 29.91998 1.27445 1.62299 ++ {0.0} {} 0.0 0.0181 0 {} 0 786 {} 1.83376 0.03230 0.06828 ++ {0.0} {} {} 8.32208 0.07696 0.07471 ++ {0.0} {} {} 29.93068 0.92611 0.88992 ++ {0.0} {} 0.0 0.0126 0 {} 0 787 {} 1.73631 0.02049 0.02140 ++ {0.0} {} {} 10.58313 0.06513 0.06733 ++ {0.0} {} {} 28.83458 2.04382 2.91975 ++ {0.0} {} 0.0 0.0138 0 {} 0 788 {} 2.70480 0.05147 0.09567 ++ {0.0} {} {} 2.97573 0.09546 0.20463 ++ {0.0} {} {} 29.42208 1.13525 2.09157 ++ {0.0} {} 0.0 0.0832 0 {} 0 789 {} 2.68900 0.01477 0.03714 ++ {0.0} {} {} 4.28386 0.08837 0.10237 ++ {0.0} {} {} 29.32057 0.95680 1.17572 ++ {0.0} {} 0.0 0.0170 0 {} 0 790 {} 2.71406 0.03094 0.02404 ++ {0.0} {} {} 6.95650 0.07089 0.05952 ++ {0.0} {} {} 29.57714 1.31637 1.02373 ++ {0.0} {} 0.0 0.0107 0 {} 0 791 {50.HB2} 3.51113 0.07279 0.09861 ++ {0.0} {} {50.HA} 3.91966 0.07944 0.13065 ++ {0.0} {} {50.CB} 29.48837 1.15892 1.86055 ++ {0.0} {} 0.0 0.0332 0 {} 0 792 {} 2.64019 0.05672 0.10869 ++ {0.0} {} {} 1.61551 0.09455 0.31644 ++ {0.0} {} {} 27.75661 1.18022 2.07112 ++ {0.0} {} 0.0 0.0915 0 {} 0 793 {} 2.64866 0.07099 0.31975 ++ {0.0} {} {} 2.08093 0.09186 0.26890 ++ {0.0} {} {} 29.54935 1.10888 3.14578 ++ {0.0} {} 0.0 0.1254 0 {} 0 794 {} 2.64480 0.05435 0.07933 ++ {0.0} {} {} 7.91543 0.07721 0.09697 ++ {0.0} {} {} 29.64840 1.22932 1.65792 ++ {0.0} {} 0.0 0.0201 0 {} 0 795 {} 2.64514 0.03560 0.05643 ++ {0.0} {} {} 8.07550 0.07784 0.08451 ++ {0.0} {} {} 29.52269 1.07748 1.20675 ++ {0.0} {} 0.0 0.0149 0 {} 0 796 {} 2.64793 0.04794 0.05016 ++ {0.0} {} {} 8.78760 0.07974 0.08364 ++ {0.0} {} {} 29.52430 0.99421 1.04803 ++ {0.0} {} 0.0 0.0139 0 {} 0 797 {} 1.87064 0.04563 0.06477 ++ {0.0} {} {} 0.72099 0.09929 0.14437 ++ {0.0} {} {} 30.32474 1.03252 1.56952 ++ {0.0} {} 0.0 0.0273 0 {} 0 798 {} 1.89339 0.03386 0.03800 ++ {0.0} {} {} 3.53296 0.07448 0.08494 ++ {0.0} {} {} 30.52244 1.25867 1.45639 ++ {0.0} {} 0.0 0.0156 0 {} 0 799 {} 1.86819 0.03877 0.05539 ++ {0.0} {} {} 3.72071 0.07732 0.11790 ++ {0.0} {} {} 30.55201 1.18711 1.59433 ++ {0.0} {} 0.0 0.0200 0 {} 0 800 {} 1.88029 0.05190 0.09722 ++ {0.0} {} {} 3.86035 0.09989 0.13663 ++ {0.0} {} {} 30.24083 1.11478 1.81417 ++ {0.0} {} 0.0 0.0352 0 {} 0 801 {} 2.06450 0.03540 0.04072 ++ {0.0} {} {} 3.83278 0.08778 0.12540 ++ {0.0} {} {} 30.55042 1.32169 1.58422 ++ {0.0} {} 0.0 0.0164 0 {} 0 802 {} 2.06569 0.01238 0.03243 ++ {0.0} {} {} 8.48996 0.07021 0.08341 ++ {0.0} {} {} 30.54786 1.13529 1.41328 ++ {0.0} {} 0.0 0.0174 0 {} 0 803 {} 1.70550 0.03162 0.05618 ++ {0.0} {} {} 4.55618 0.08073 0.10064 ++ {0.0} {} {} 42.90662 0.94666 1.25447 ++ {0.0} {} 0.0 0.0194 0 {} 0 804 {} 1.53973 0.03072 0.04389 ++ {0.0} {} {} 4.56189 0.05761 0.07133 ++ {0.0} {} {} 42.83412 1.20779 1.44833 ++ {0.0} {} 0.0 0.0164 0 {} 0 805 {} 1.71831 0.04278 0.05389 ++ {0.0} {} {} 8.43305 0.08131 0.09360 ++ {0.0} {} {} 42.92483 1.12342 1.32489 ++ {0.0} {} 0.0 0.0160 0 {} 0 806 {} 3.09199 0.02364 0.02508 ++ {0.0} {} {} 7.81631 0.09181 0.09628 ++ {0.0} {} {} 43.08062 1.07770 1.14080 ++ {0.0} {} 0.0 0.0139 0 {} 0 807 {} 1.64634 0.02450 0.02168 ++ {0.0} {} {} 8.75664 0.06925 0.06292 ++ {0.0} {} {} 47.64146 0.99684 0.87371 ++ {0.0} {} 0.0 0.0117 0 {} 0 808 {} 1.35097 0.02595 0.01852 ++ {0.0} {} {} 8.74829 0.08154 0.05684 ++ {0.0} {} {} 47.71130 1.22303 0.68446 ++ {0.0} {} 0.0 0.0091 0 {} 0 809 {} 3.55692 0.02194 0.03135 ++ {0.0} {} {} 7.74566 0.08397 0.09321 ++ {0.0} {} {} 59.16639 1.41583 1.65331 ++ {0.0} {} 0.0 0.0158 0 {} 0 810 {} 3.56857 0.03265 0.03510 ++ {0.0} {} {} 8.20240 0.05603 0.06029 ++ {0.0} {} {} 58.25502 1.16360 1.27683 ++ {0.0} {} 0.0 0.0145 0 {} 0 811 {} 1.34130 0.01549 0.02688 ++ {0.0} {} {} 2.65791 0.08995 0.07821 ++ {0.0} {} {} 47.52598 1.22490 0.98708 ++ {0.0} {} 0.0 0.0088 0 {} 0 812 {} 2.60509 0.01458 0.03518 ++ {0.0} {} {} 2.27942 0.06397 0.06818 ++ {0.0} {} {} 43.74723 1.13662 1.22526 ++ {0.0} {} 0.0 0.0114 0 {} 0 813 {} 2.93070 0.03865 0.03427 ++ {0.0} {} {} 2.29325 0.08177 0.07542 ++ {0.0} {} {} 43.86181 1.15759 1.03046 ++ {0.0} {} 0.0 0.0095 0 {} 0 814 {} 2.91152 0.05553 0.10187 ++ {0.0} {} {} 1.72233 0.08616 0.18736 ++ {0.0} {} {} 42.01236 1.11586 2.75786 ++ {0.0} {} 0.0 0.0503 0 {} 0 815 {} 2.91152 0.05553 0.10187 ++ {0.0} {} {} 1.72233 0.08616 0.18736 ++ {0.0} {} {} 42.01236 1.11586 2.75786 ++ {0.0} {} 0.0 0.0503 0 {} 0 816 {15.HA} 3.41655 0.02044 0.01659 ++ {0.0} {} {50.HZ2} 7.17942 0.05858 0.04231 ++ {0.0} {} {15.CA} 67.73557 1.13489 0.89844 ++ {0.0} {} 0.0 0.0087 0 {} 0 817 {} 0.88354 0.02399 0.02361 ++ {0.0} {} {} 8.18303 0.09241 0.09100 ++ {0.0} {} {} 23.91760 1.02462 1.00548 ++ {0.0} {} 0.0 0.0129 0 {} 0 818 {53.HB3} 2.44233 0.02772 0.01608 ++ {0.0} {} {50.HA} 3.91771 0.11741 0.07972 ++ {0.0} {} {53.CB} 38.03287 1.10166 0.68669 ++ {0.0} {} 0.0 0.0095 0 {} 0 819 {53.HB2} 2.62747 0.05110 0.09814 ++ {0.0} {} {53.HB3} 2.43259 0.10003 0.19452 ++ {0.0} {} {53.CB} 37.94500 1.64850 2.35500 ++ {0.0} {} 0.0 0.1923 0 {} 0 820 {53.HB3} 2.43068 0.04603 0.07451 ++ {0.0} {} {53.HB2} 2.61937 0.08575 0.16120 ++ {0.0} {} {53.CB} 37.94543 1.19127 1.95542 ++ {0.0} {} 0.0 0.1744 0 {} 0 821 {} 4.18719 0.04846 0.08524 ++ {0.0} {} {} 1.59908 0.07208 0.13509 ++ {0.0} {} {} 55.26148 1.10588 1.92847 ++ {0.0} {} 0.0 0.1250 0 {} 0 822 {} 4.13418 0.03961 0.06215 ++ {0.0} {} {} 1.96697 0.15472 0.24628 ++ {0.0} {} {} 59.97362 1.10784 1.67454 ++ {0.0} {} 0.0 0.0656 -1 {} 0 823 {} 4.16126 0.04656 0.06896 ++ {0.0} {} {} 1.59685 0.03902 0.12239 ++ {0.0} {} {} 57.32443 1.08621 1.50781 ++ {0.0} {} 0.0 0.0523 0 {} 0 824 {} 4.13418 0.03961 0.06215 ++ {0.0} {} {} 1.96697 0.15472 0.24628 ++ {0.0} {} {} 59.97362 1.10784 1.67454 ++ {0.0} {} 0.0 0.0656 -1 {} 0 825 {} 4.13418 0.03961 0.06215 ++ {0.0} {} {} 1.96697 0.15472 0.24628 ++ {0.0} {} {} 59.97362 1.10784 1.67454 ++ {0.0} {} 0.0 0.0656 -1 {} 0 826 {} 4.18719 0.04846 0.08524 ++ {0.0} {} {} 1.59908 0.07208 0.13509 ++ {0.0} {} {} 55.26148 1.10588 1.92847 ++ {0.0} {} 0.0 0.1250 -1 {} 0 827 {} 4.15915 0.04656 0.06896 ++ {0.0} {} {} 1.92565 0.03902 0.12239 ++ {0.0} {} {} 57.32443 1.08621 1.50781 ++ {0.0} {} 0.0 0.0523 0 {} 0 828 {} 4.15492 0.04656 0.06896 ++ {0.0} {} {} 1.79699 0.03902 0.12239 ++ {0.0} {} {} 57.32443 1.08621 1.50781 ++ {0.0} {} 0.0 0.0523 0 {} 0 829 {} 1.80755 0.02844 0.02202 ++ {0.0} {} {} 3.39464 0.09070 0.07694 ++ {0.0} {} {} 32.43835 1.07832 0.72492 ++ {0.0} {} 0.0 0.0079 0 {} 0 830 {57.HA} 4.08988 0.01721 0.01538 ++ {0.0} {} {57.HG3} 1.33000 0.23011 0.21995 ++ {0.0} {} {57.CA} 57.20864 0.88245 0.77835 ++ {0.0} {} 0.0 0.0286 0 {} 0 831 {57.HB2} 1.79653 0.04704 0.07390 ++ {0.0} {} {57.HB3} 1.65113 0.08536 0.15270 ++ {0.0} {} {57.CB} 32.43709 1.10102 1.76237 ++ {0.0} {} 0.0 0.2454 0 {} 0 832 {33.HG3} 1.47168 0.05026 0.04600 ++ {0.0} {} {28.HD11} 0.21648 0.09429 0.07949 ++ {0.0} {} {33.CG} 28.56420 0.86377 0.64848 ++ {0.0} {} 0.0 0.0084 0 {} 0 833 {33.HG2} 1.61349 0.00970 0.01802 ++ {0.0} {} {28.HD11} 0.21491 0.09293 0.07655 ++ {0.0} {} {33.CG} 28.75833 1.23169 0.95123 ++ {0.0} {} 0.0 0.0085 0 {} 0 834 {} 1.63427 0.06849 0.01875 ++ {0.0} {} {} 3.71525 0.06036 0.03991 ++ {0.0} {} {} 28.64630 1.06636 0.69837 ++ {0.0} {} 0.0 0.0190 0 {} 0 835 {} 1.62632 0.06775 0.07545 ++ {0.0} {} {} 3.54185 0.09006 0.10056 ++ {0.0} {} {} 28.64630 1.15707 1.34147 ++ {0.0} {} 0.0 0.0305 -1 {} 0 836 {} 1.63033 0.06849 0.01875 ++ {0.0} {} {} 3.52377 0.06036 0.03991 ++ {0.0} {} {} 28.64630 1.06636 0.69837 ++ {0.0} {} 0.0 0.0190 0 {} 0 837 {} 3.93207 0.02183 0.01638 ++ {0.0} {} {} 2.29873 0.08606 0.06586 ++ {0.0} {} {} 60.20386 1.11602 0.76802 ++ {0.0} {} 0.0 0.0156 0 {} 0 838 {} 3.92435 0.02212 0.02021 ++ {0.0} {} {} 2.12596 0.09377 0.08510 ++ {0.0} {} {} 60.24219 1.14769 1.01679 ++ {0.0} {} 0.0 0.0184 0 {} 0 839 {} 3.93289 0.04289 0.07425 ++ {0.0} {} {} 1.71089 0.08156 0.14815 ++ {0.0} {} {} 60.16747 1.17777 2.93596 ++ {0.0} {} 0.0 0.1118 0 {} 0 840 {} 3.93253 0.03824 0.03753 ++ {0.0} {} {} 1.86103 0.09895 0.09731 ++ {0.0} {} {} 60.16747 1.10468 1.07504 ++ {0.0} {} 0.0 0.0200 0 {} 0 841 {} 3.92810 0.03824 0.03753 ++ {0.0} {} {} 0.94611 0.09895 0.09731 ++ {0.0} {} {} 60.16747 1.10468 1.07504 ++ {0.0} {} 0.0 0.0200 0 {} 0 842 {} 0.46157 0.02409 0.01790 ++ {0.0} {} {} 7.79850 0.03419 0.04660 ++ {0.0} {} {} 22.91693 1.11508 0.68779 ++ {0.0} {} 0.0 0.0119 0 {} 0 843 {} 3.25890 0.02194 0.03135 ++ {0.0} {} {} 7.42094 0.09432 0.05558 ++ {0.0} {} {} 40.05160 1.23835 0.60876 ++ {0.0} {} 0.0 0.0212 0 {} 0 844 {} 3.29323 0.01668 0.02318 ++ {0.0} {} {} 7.40143 0.08404 0.05939 ++ {0.0} {} {} 39.96310 1.19977 0.67495 ++ {0.0} {} 0.0 0.0223 0 {} 0 845 {} 3.29895 0.02896 0.07036 ++ {0.0} {} {} 4.45688 0.09770 0.10660 ++ {0.0} {} {} 40.03558 1.19220 1.31649 ++ {0.0} {} 0.0 0.0357 0 {} 0 846 {} 3.24822 0.02194 0.03135 ++ {0.0} {} {} 4.44764 0.08300 0.05462 ++ {0.0} {} {} 39.99416 1.22201 0.77669 ++ {0.0} {} 0.0 0.0235 0 {} 0 847 {} 4.47378 0.02850 0.04461 ++ {0.0} {} {} 7.36827 0.07620 0.09677 ++ {0.0} {} {} 59.94778 0.77150 1.04640 ++ {0.0} {} 0.0 0.0497 0 {} 0 848 {} 4.46059 0.03554 0.04583 ++ {0.0} {} {} 3.26446 0.10414 0.14156 ++ {0.0} {} {} 59.86595 0.95855 1.37583 ++ {0.0} {} 0.0 0.0567 0 {} 0 849 {13.HB2} 3.36708 0.03282 0.02278 ++ {0.0} {} {13.H} 8.41965 0.08353 0.06594 ++ {0.0} {} {13.CB} 39.96836 1.29411 0.96810 ++ {0.0} {} 0.0 0.0164 0 {} 0 850 {13.HB3} 2.89095 0.03745 0.02457 ++ {0.0} {} {13.H} 8.42278 0.09235 0.07422 ++ {0.0} {} {13.CB} 39.91239 1.39334 1.04746 ++ {0.0} {} 0.0 0.0164 0 {} 0 851 {13.HB2} 3.36598 0.05701 0.07879 ++ {0.0} {} {13.HA} 4.25115 0.09512 0.12633 ++ {0.0} {} {13.CB} 39.91940 1.07911 1.51313 ++ {0.0} {} 0.0 0.0343 0 {} 0 852 {} 4.28804 0.03780 0.10537 ++ {0.0} {} {} 2.36039 0.14809 0.40709 ++ {0.0} {} {} 59.18055 1.04981 1.80273 ++ {0.0} {} 0.0 0.0906 0 {} 0 853 {} 3.97575 0.03325 0.05457 ++ {0.0} {} {} 0.88478 0.07371 0.12815 ++ {0.0} {} {} 58.23808 1.19384 2.08801 ++ {0.0} {} 0.0 0.0873 0 {} 0 854 {16.HA} 3.97870 0.03765 0.05811 ++ {0.0} {} {16.HB2} 1.91075 0.08068 0.12525 ++ {0.0} {} {16.CA} 58.24780 0.94196 1.42118 ++ {0.0} {} 0.0 0.0521 0 {} 0 855 {16.HA} 3.97738 0.03765 0.05811 ++ {0.0} {} {16.HB3} 1.48804 0.08068 0.12525 ++ {0.0} {} {16.CA} 58.24780 0.94196 1.42118 ++ {0.0} {} 0.0 0.0521 0 {} 0 856 {} 3.97133 0.03039 0.02382 ++ {0.0} {} {} 2.03789 0.04446 0.07586 ++ {0.0} {} {} 58.14067 0.89194 0.63911 ++ {0.0} {} 0.0 0.0200 0 {} 0 857 {16.HA} 3.97789 0.03039 0.02382 ++ {0.0} {} {16.HG} 1.77370 0.04446 0.07586 ++ {0.0} {} {16.CA} 58.14067 0.89194 0.63911 ++ {0.0} {} 0.0 0.0200 0 {} 0 858 {} 4.07632 0.04042 0.05847 ++ {0.0} {} {} 2.60775 0.11351 0.17162 ++ {0.0} {} {} 59.30630 1.04034 1.52446 ++ {0.0} {} 0.0 0.0599 0 {} 0 859 {} 4.49505 0.03417 0.05284 ++ {0.0} {} {} 3.32786 0.09894 0.16451 ++ {0.0} {} {} 58.27976 1.01940 1.65574 ++ {0.0} {} 0.0 0.0852 0 {} 0 860 {} 4.49029 0.02748 0.06119 ++ {0.0} {} {} 1.40237 0.07907 0.11690 ++ {0.0} {} {} 61.05678 0.93267 1.56548 ++ {0.0} {} 0.0 0.0996 0 {} 0 861 {} 4.48624 0.02168 0.03171 ++ {0.0} {} {} 4.85724 0.10165 0.15797 ++ {0.0} {} {} 61.05213 1.02563 1.64110 ++ {0.0} {} 0.0 0.0801 0 {} 0 862 {} 3.86961 0.04566 0.05371 ++ {0.0} {} {} 1.91312 0.11802 0.14438 ++ {0.0} {} {} 58.55645 1.05032 1.41171 ++ {0.0} {} 0.0 0.0488 0 {} 0 863 {} 3.54439 0.01287 0.02709 ++ {0.0} {} {} 2.04752 0.13797 0.13106 ++ {0.0} {} {} 43.91769 0.93611 0.89747 ++ {0.0} {} 0.0 0.0246 0 {} 0 864 {} 3.52259 0.03287 0.03404 ++ {0.0} {} {} 1.63961 0.09709 0.10251 ++ {0.0} {} {} 43.89817 1.06400 1.12956 ++ {0.0} {} 0.0 0.0273 0 {} 0 865 {} 3.53688 0.05444 0.06130 ++ {0.0} {} {} 1.47188 0.09450 0.11070 ++ {0.0} {} {} 43.89889 0.98349 1.17438 ++ {0.0} {} 0.0 0.0318 0 {} 0 866 {} 3.33655 0.04766 0.05261 ++ {0.0} {} {} 1.64922 0.15435 0.16473 ++ {0.0} {} {} 43.80679 1.17453 1.29546 ++ {0.0} {} 0.0 0.0286 0 {} 0 867 {} 3.52964 0.04013 0.02647 ++ {0.0} {} {} 1.93093 0.11631 0.16616 ++ {0.0} {} {} 43.96547 1.10809 0.62808 ++ {0.0} {} 0.0 0.0179 0 {} 0 868 {} 3.26565 0.01130 0.01904 ++ {0.0} {} {} 4.12854 0.03511 0.02877 ++ {0.0} {} {} 43.16978 1.06052 0.86893 ++ {0.0} {} 0.0 0.0111 0 {} 0 869 {} 1.97134 0.04811 0.04506 ++ {0.0} {} {} 3.26129 0.04872 0.03385 ++ {0.0} {} {} 29.69118 1.07075 0.74395 ++ {0.0} {} 0.0 0.0196 0 {} 0 870 {} 1.96521 0.04846 0.08645 ++ {0.0} {} {} 4.05182 0.08231 0.14187 ++ {0.0} {} {} 29.69118 1.01982 1.71265 ++ {0.0} {} 0.0 0.0480 0 {} 0 871 {} 1.94442 0.04846 0.08645 ++ {0.0} {} {} 4.02182 0.08231 0.14187 ++ {0.0} {} {} 32.55234 1.01982 1.71265 ++ {0.0} {} 0.0 0.0799 -1 {} 0 872 {} 2.91152 0.05553 0.10187 ++ {0.0} {} {} 1.72233 0.08616 0.18736 ++ {0.0} {} {} 42.01236 1.11586 2.75786 ++ {0.0} {} 0.0 0.0503 -1 {} 0 873 {} 2.91768 0.05553 0.10187 ++ {0.0} {} {} 1.81694 0.08616 0.18736 ++ {0.0} {} {} 43.90434 1.11586 2.75786 ++ {0.0} {} 0.0 0.0303 0 {} 0 874 {} 2.61057 0.00900 0.01399 ++ {0.0} {} {} 1.81538 0.08339 0.05826 ++ {0.0} {} {} 43.90434 1.70505 0.91721 ++ {0.0} {} 0.0 0.0072 0 {} 0 875 {} 2.30401 0.06250 0.12206 ++ {0.0} {} {} 1.32192 0.11382 0.23345 ++ {0.0} {} {} 31.23224 1.27983 3.39215 ++ {0.0} {} 0.0 0.0339 0 {} 0 876 {} 2.31313 0.04843 0.11278 ++ {0.0} {} {} 3.94095 0.08053 0.13580 ++ {0.0} {} {} 31.23224 1.17437 2.16263 ++ {0.0} {} 0.0 0.0099 0 {} 0 877 {} 2.30707 0.01032 0.03990 ++ {0.0} {} {} 6.92558 0.12696 0.17454 ++ {0.0} {} {} 31.22059 0.92456 1.14566 ++ {0.0} {} 0.0 0.0110 0 {} 0 878 {R55.HB2} 2.30314 0.01880 0.03965 ++ {0.0} {} {R55.HD3} 2.59691 0.08105 0.08348 ++ {0.0} {} {R55.CB} 31.29857 0.78956 0.82682 ++ {0.0} {} 0.0 0.0088 0 {} 0 879 {} 1.33653 0.01880 0.03965 ++ {0.0} {} {} 2.60999 0.08105 0.08348 ++ {0.0} {} {} 31.29857 0.78956 0.82682 ++ {0.0} {} 0.0 0.0088 0 {} 0 880 {} 0.92977 0.01713 0.04389 ++ {0.0} {} {} 6.90198 0.11843 0.17556 ++ {0.0} {} {} 23.91433 1.00252 1.62066 ++ {0.0} {} 0.0 0.0342 -1 {} 0 881 {} 0.94836 0.01529 0.01890 ++ {0.0} {} {} 6.33800 0.07376 0.09819 ++ {0.0} {} {} 24.87218 1.27818 1.71333 ++ {0.0} {} 0.0 0.0199 0 {} 0 882 {} 0.95382 0.01529 0.01890 ++ {0.0} {} {} 6.92595 0.07376 0.09819 ++ {0.0} {} {} 24.87218 1.27818 1.71333 ++ {0.0} {} 0.0 0.0199 0 {} 0 883 {} 0.76171 0.02402 0.05316 ++ {0.0} {} {} 0.23500 0.08347 0.14426 ++ {0.0} {} {} 14.32834 0.99482 1.74331 ++ {0.0} {} 0.0 0.0530 0 {} 0 884 {} 0.75879 0.02516 0.05832 ++ {0.0} {} {} 1.71044 0.15747 0.32604 ++ {0.0} {} {} 14.27736 1.13157 1.94537 ++ {0.0} {} 0.0 0.1254 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 . 'not observed' 6300 Hz . . . 4.777 . . 31057 14 2 . . H 1 H . 'not observed' 7000 Hz . . . 4.777 . . 31057 14 3 . . C 13 C-aliphatic . 'not observed' 9200 Hz . . . 42.000 . . 31057 14 stop_ save_