data_30481 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30481 _Entry.Title ; Recombinant melittin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-14 _Entry.Accession_date 2018-06-14 _Entry.Last_release_date 2018-07-06 _Entry.Original_release_date 2018-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30481 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Ramirez L. M. . . 30481 2 J. Pande J. . . . 30481 3 A. Shekhtman A. . . . 30481 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Alpha-helical peptide' . 30481 Antibacterial . 30481 'Bee venom' . 30481 Hemolytic . 30481 TOXIN . 30481 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30481 spectral_peak_list 2 30481 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 93 30481 '15N chemical shifts' 26 30481 '1H chemical shifts' 202 30481 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-04-03 . original BMRB . 30481 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6DST . 30481 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30481 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.8b00156 _Citation.PubMed_ID 29668274 _Citation.Full_citation . _Citation.Title ; Nuclear Magnetic Resonance-Based Structural Characterization and Backbone Dynamics of Recombinant Bee Venom Melittin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue . _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0033 _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 2775 _Citation.Page_last 2785 _Citation.Year 2018 _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 L. Ramirez L. M. . . 30481 1 2 J. Pande J. . . . 30481 1 3 A. Shekhtman A. . . . 30481 1 4 L. Ramirez L. . . . 30481 1 5 A. Shekhtman A. . . . 30481 1 6 J. Pande J. . . . 30481 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30481 _Assembly.ID 1 _Assembly.Name Melittin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30481 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30481 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Melittin _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 ; GIGAVLKVLTTGLPALISWI KRKRQQ ; _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 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 44-69' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2852.487 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Allergen Api m 3' na 30481 1 'Allergen Api m III' na 30481 1 stop_ 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 . 30481 1 2 . ILE . 30481 1 3 . GLY . 30481 1 4 . ALA . 30481 1 5 . VAL . 30481 1 6 . LEU . 30481 1 7 . LYS . 30481 1 8 . VAL . 30481 1 9 . LEU . 30481 1 10 . THR . 30481 1 11 . THR . 30481 1 12 . GLY . 30481 1 13 . LEU . 30481 1 14 . PRO . 30481 1 15 . ALA . 30481 1 16 . LEU . 30481 1 17 . ILE . 30481 1 18 . SER . 30481 1 19 . TRP . 30481 1 20 . ILE . 30481 1 21 . LYS . 30481 1 22 . ARG . 30481 1 23 . LYS . 30481 1 24 . ARG . 30481 1 25 . GLN . 30481 1 26 . GLN . 30481 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 30481 1 . ILE 2 2 30481 1 . GLY 3 3 30481 1 . ALA 4 4 30481 1 . VAL 5 5 30481 1 . LEU 6 6 30481 1 . LYS 7 7 30481 1 . VAL 8 8 30481 1 . LEU 9 9 30481 1 . THR 10 10 30481 1 . THR 11 11 30481 1 . GLY 12 12 30481 1 . LEU 13 13 30481 1 . PRO 14 14 30481 1 . ALA 15 15 30481 1 . LEU 16 16 30481 1 . ILE 17 17 30481 1 . SER 18 18 30481 1 . TRP 19 19 30481 1 . ILE 20 20 30481 1 . LYS 21 21 30481 1 . ARG 22 22 30481 1 . LYS 23 23 30481 1 . ARG 24 24 30481 1 . GLN 25 25 30481 1 . GLN 26 26 30481 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 30481 _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 . 7460 organism . 'Apis mellifera' Honeybee . . Eukaryota Metazoa Apis mellifera . . . . . . . . . . . MELT . 30481 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 30481 _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' . . 562 Escherichia coli . . . . . . . . . . 30481 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30481 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.05 mM [U-95% 13C; U-95% 15N] melittin, 10% w/v deuterated glycerol (to increase viscosity), 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 melittin '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.05 . . mM . . . . 30481 1 2 glycerol [U-2H] . . . . . . 10 . . '% v/v' . . . . 30481 1 3 'potassium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 30481 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30481 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.050 mM [U-95% 13C; U-95% 15N] Melittin, 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 Melittin '[U-95% 13C; U-95% 15N]' 1 $assembly 1 $entity_1 . . 0.050 . . mM . . . . 30481 2 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 30481 2 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 30481 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 30481 1 pH 7 . pH 30481 1 pressure 1 . atm 30481 1 temperature 298 . K 30481 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30481 _Sample_condition_list.ID 2 _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' 10 . mM 30481 2 pH 7 . pH 30481 2 pressure 1 . atm 30481 2 temperature 285 . K 30481 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30481 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30481 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30481 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30481 _Software.ID 2 _Software.Type . _Software.Name YASARA _Software.Version 18.4.24 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Krieger and Vriend' . . 30481 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30481 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30481 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.9.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30481 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30481 3 'peak picking' 30481 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 30481 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30481 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30481 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 700 . . . 30481 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 30481 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 30481 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30481 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30481 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30481 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30481 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30481 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30481 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30481 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30481 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30481 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 30481 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.25144953 . . . . . 30481 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 30481 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.10132912 . . . . . 30481 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 30481 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 ; Assignments made at 298 K (with and without 10% w/v glycerol ) were transferred to spectra at 285 K and with 10% glycerol ; _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 '3D 1H-15N NOESY' . . . 30481 1 2 '3D 1H-13C NOESY' . . . 30481 1 3 '3D HCCH-TOCSY' . . . 30481 1 4 '3D HNCA' . . . 30481 1 5 '3D HNCACB' . . . 30481 1 6 '2D 1H-15N HSQC' . . . 30481 1 7 '2D 1H-15N HSQC' . . . 30481 1 8 '2D 1H-13C HSQC aliphatic' . . . 30481 1 9 '2D 1H-13C HSQC aliphatic' . . . 30481 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.563 0.02 . 2 . . . . A 1 GLY HA2 . 30481 1 2 . 1 1 1 1 GLY HA3 H 1 3.441 0.02 . 2 . . . . A 1 GLY HA3 . 30481 1 3 . 1 1 1 1 GLY CA C 13 43.701 0.3 . 1 . . . . A 1 GLY CA . 30481 1 4 . 1 1 2 2 ILE HA H 1 3.778 0.02 . 1 . . . . A 2 ILE HA . 30481 1 5 . 1 1 2 2 ILE HB H 1 1.576 0.02 . 1 . . . . A 2 ILE HB . 30481 1 6 . 1 1 2 2 ILE HG12 H 1 1.183 0.02 . 2 . . . . A 2 ILE HG12 . 30481 1 7 . 1 1 2 2 ILE HG13 H 1 1.095 0.02 . 2 . . . . A 2 ILE HG13 . 30481 1 8 . 1 1 2 2 ILE HG21 H 1 0.654 0.02 . 1 . . . . A 2 ILE HG21 . 30481 1 9 . 1 1 2 2 ILE HG22 H 1 0.654 0.02 . 1 . . . . A 2 ILE HG22 . 30481 1 10 . 1 1 2 2 ILE HG23 H 1 0.654 0.02 . 1 . . . . A 2 ILE HG23 . 30481 1 11 . 1 1 2 2 ILE HD11 H 1 0.602 0.02 . 1 . . . . A 2 ILE HD11 . 30481 1 12 . 1 1 2 2 ILE HD12 H 1 0.602 0.02 . 1 . . . . A 2 ILE HD12 . 30481 1 13 . 1 1 2 2 ILE HD13 H 1 0.602 0.02 . 1 . . . . A 2 ILE HD13 . 30481 1 14 . 1 1 2 2 ILE CA C 13 62.491 0.3 . 1 . . . . A 2 ILE CA . 30481 1 15 . 1 1 2 2 ILE CB C 13 38.354 0.3 . 1 . . . . A 2 ILE CB . 30481 1 16 . 1 1 2 2 ILE CG1 C 13 27.964 0.3 . 1 . . . . A 2 ILE CG1 . 30481 1 17 . 1 1 2 2 ILE CG2 C 13 16.93 0.3 . 1 . . . . A 2 ILE CG2 . 30481 1 18 . 1 1 2 2 ILE CD1 C 13 12.776 0.3 . 1 . . . . A 2 ILE CD1 . 30481 1 19 . 1 1 3 3 GLY H H 1 8.564 0.02 . 1 . . . . A 3 GLY H . 30481 1 20 . 1 1 3 3 GLY HA2 H 1 3.436 0.02 . 1 . . . . A 3 GLY HA2 . 30481 1 21 . 1 1 3 3 GLY HA3 H 1 3.558 0.02 . 1 . . . . A 3 GLY HA3 . 30481 1 22 . 1 1 3 3 GLY CA C 13 46.954 0.3 . 1 . . . . A 3 GLY CA . 30481 1 23 . 1 1 3 3 GLY N N 15 109.085 0.3 . 1 . . . . A 3 GLY N . 30481 1 24 . 1 1 4 4 ALA H H 1 7.628 0.02 . 1 . . . . A 4 ALA H . 30481 1 25 . 1 1 4 4 ALA HA H 1 3.828 0.02 . 1 . . . . A 4 ALA HA . 30481 1 26 . 1 1 4 4 ALA HB1 H 1 1.204 0.02 . 1 . . . . A 4 ALA HB1 . 30481 1 27 . 1 1 4 4 ALA HB2 H 1 1.204 0.02 . 1 . . . . A 4 ALA HB2 . 30481 1 28 . 1 1 4 4 ALA HB3 H 1 1.204 0.02 . 1 . . . . A 4 ALA HB3 . 30481 1 29 . 1 1 4 4 ALA CA C 13 54.764 0.3 . 1 . . . . A 4 ALA CA . 30481 1 30 . 1 1 4 4 ALA CB C 13 17.948 0.3 . 1 . . . . A 4 ALA CB . 30481 1 31 . 1 1 4 4 ALA N N 15 122.773 0.3 . 1 . . . . A 4 ALA N . 30481 1 32 . 1 1 5 5 VAL H H 1 7.177 0.02 . 1 . . . . A 5 VAL H . 30481 1 33 . 1 1 5 5 VAL HA H 1 3.289 0.02 . 1 . . . . A 5 VAL HA . 30481 1 34 . 1 1 5 5 VAL HB H 1 1.954 0.02 . 1 . . . . A 5 VAL HB . 30481 1 35 . 1 1 5 5 VAL HG11 H 1 0.624 0.02 . 1 . . . . A 5 VAL HG11 . 30481 1 36 . 1 1 5 5 VAL HG12 H 1 0.624 0.02 . 1 . . . . A 5 VAL HG12 . 30481 1 37 . 1 1 5 5 VAL HG13 H 1 0.624 0.02 . 1 . . . . A 5 VAL HG13 . 30481 1 38 . 1 1 5 5 VAL HG21 H 1 0.637 0.02 . 1 . . . . A 5 VAL HG21 . 30481 1 39 . 1 1 5 5 VAL HG22 H 1 0.637 0.02 . 1 . . . . A 5 VAL HG22 . 30481 1 40 . 1 1 5 5 VAL HG23 H 1 0.637 0.02 . 1 . . . . A 5 VAL HG23 . 30481 1 41 . 1 1 5 5 VAL CA C 13 66.128 0.3 . 1 . . . . A 5 VAL CA . 30481 1 42 . 1 1 5 5 VAL CB C 13 31.704 0.3 . 1 . . . . A 5 VAL CB . 30481 1 43 . 1 1 5 5 VAL CG1 C 13 20.174 0.3 . 1 . . . . A 5 VAL CG1 . 30481 1 44 . 1 1 5 5 VAL CG2 C 13 20.417 0.3 . 1 . . . . A 5 VAL CG2 . 30481 1 45 . 1 1 5 5 VAL N N 15 117.444 0.3 . 1 . . . . A 5 VAL N . 30481 1 46 . 1 1 6 6 LEU H H 1 8.083 0.02 . 1 . . . . A 6 LEU H . 30481 1 47 . 1 1 6 6 LEU HA H 1 3.765 0.02 . 1 . . . . A 6 LEU HA . 30481 1 48 . 1 1 6 6 LEU HB2 H 1 1.206 0.02 . 1 . . . . A 6 LEU HB2 . 30481 1 49 . 1 1 6 6 LEU HB3 H 1 1.56 0.02 . 1 . . . . A 6 LEU HB3 . 30481 1 50 . 1 1 6 6 LEU HG H 1 1.514 0.02 . 1 . . . . A 6 LEU HG . 30481 1 51 . 1 1 6 6 LEU HD11 H 1 0.564 0.02 . 1 . . . . A 6 LEU HD11 . 30481 1 52 . 1 1 6 6 LEU HD12 H 1 0.564 0.02 . 1 . . . . A 6 LEU HD12 . 30481 1 53 . 1 1 6 6 LEU HD13 H 1 0.564 0.02 . 1 . . . . A 6 LEU HD13 . 30481 1 54 . 1 1 6 6 LEU HD21 H 1 0.556 0.02 . 1 . . . . A 6 LEU HD21 . 30481 1 55 . 1 1 6 6 LEU HD22 H 1 0.556 0.02 . 1 . . . . A 6 LEU HD22 . 30481 1 56 . 1 1 6 6 LEU HD23 H 1 0.556 0.02 . 1 . . . . A 6 LEU HD23 . 30481 1 57 . 1 1 6 6 LEU CA C 13 57.885 0.3 . 1 . . . . A 6 LEU CA . 30481 1 58 . 1 1 6 6 LEU CB C 13 41.627 0.3 . 1 . . . . A 6 LEU CB . 30481 1 59 . 1 1 6 6 LEU CG C 13 26.525 0.3 . 1 . . . . A 6 LEU CG . 30481 1 60 . 1 1 6 6 LEU CD1 C 13 24.606 0.3 . 1 . . . . A 6 LEU CD1 . 30481 1 61 . 1 1 6 6 LEU CD2 C 13 24.54 0.3 . 1 . . . . A 6 LEU CD2 . 30481 1 62 . 1 1 6 6 LEU N N 15 117.746 0.3 . 1 . . . . A 6 LEU N . 30481 1 63 . 1 1 7 7 LYS H H 1 7.739 0.02 . 1 . . . . A 7 LYS H . 30481 1 64 . 1 1 7 7 LYS HA H 1 3.671 0.02 . 1 . . . . A 7 LYS HA . 30481 1 65 . 1 1 7 7 LYS HB2 H 1 1.669 0.02 . 2 . . . . A 7 LYS HB2 . 30481 1 66 . 1 1 7 7 LYS HB3 H 1 1.669 0.02 . 2 . . . . A 7 LYS HB3 . 30481 1 67 . 1 1 7 7 LYS HG2 H 1 1.093 0.02 . 2 . . . . A 7 LYS HG2 . 30481 1 68 . 1 1 7 7 LYS HG3 H 1 1.093 0.02 . 2 . . . . A 7 LYS HG3 . 30481 1 69 . 1 1 7 7 LYS HD2 H 1 1.362 0.02 . 2 . . . . A 7 LYS HD2 . 30481 1 70 . 1 1 7 7 LYS HD3 H 1 1.362 0.02 . 2 . . . . A 7 LYS HD3 . 30481 1 71 . 1 1 7 7 LYS HE2 H 1 2.612 0.02 . 2 . . . . A 7 LYS HE2 . 30481 1 72 . 1 1 7 7 LYS HE3 H 1 2.612 0.02 . 2 . . . . A 7 LYS HE3 . 30481 1 73 . 1 1 7 7 LYS CA C 13 59.631 0.3 . 1 . . . . A 7 LYS CA . 30481 1 74 . 1 1 7 7 LYS CB C 13 31.958 0.3 . 1 . . . . A 7 LYS CB . 30481 1 75 . 1 1 7 7 LYS CG C 13 25.221 0.3 . 1 . . . . A 7 LYS CG . 30481 1 76 . 1 1 7 7 LYS CD C 13 29.084 0.3 . 1 . . . . A 7 LYS CD . 30481 1 77 . 1 1 7 7 LYS CE C 13 41.844 0.3 . 1 . . . . A 7 LYS CE . 30481 1 78 . 1 1 7 7 LYS N N 15 119.79 0.3 . 1 . . . . A 7 LYS N . 30481 1 79 . 1 1 8 8 VAL H H 1 7.578 0.02 . 1 . . . . A 8 VAL H . 30481 1 80 . 1 1 8 8 VAL HA H 1 3.281 0.02 . 1 . . . . A 8 VAL HA . 30481 1 81 . 1 1 8 8 VAL HB H 1 2.017 0.02 . 1 . . . . A 8 VAL HB . 30481 1 82 . 1 1 8 8 VAL HG11 H 1 0.774 0.02 . 1 . . . . A 8 VAL HG11 . 30481 1 83 . 1 1 8 8 VAL HG12 H 1 0.774 0.02 . 1 . . . . A 8 VAL HG12 . 30481 1 84 . 1 1 8 8 VAL HG13 H 1 0.774 0.02 . 1 . . . . A 8 VAL HG13 . 30481 1 85 . 1 1 8 8 VAL HG21 H 1 0.724 0.02 . 1 . . . . A 8 VAL HG21 . 30481 1 86 . 1 1 8 8 VAL HG22 H 1 0.724 0.02 . 1 . . . . A 8 VAL HG22 . 30481 1 87 . 1 1 8 8 VAL HG23 H 1 0.724 0.02 . 1 . . . . A 8 VAL HG23 . 30481 1 88 . 1 1 8 8 VAL CA C 13 66.308 0.3 . 1 . . . . A 8 VAL CA . 30481 1 89 . 1 1 8 8 VAL CB C 13 31.612 0.3 . 1 . . . . A 8 VAL CB . 30481 1 90 . 1 1 8 8 VAL CG1 C 13 21.884 0.3 . 1 . . . . A 8 VAL CG1 . 30481 1 91 . 1 1 8 8 VAL CG2 C 13 21.541 0.3 . 1 . . . . A 8 VAL CG2 . 30481 1 92 . 1 1 8 8 VAL N N 15 120.557 0.3 . 1 . . . . A 8 VAL N . 30481 1 93 . 1 1 9 9 LEU H H 1 8.292 0.02 . 1 . . . . A 9 LEU H . 30481 1 94 . 1 1 9 9 LEU HA H 1 3.782 0.02 . 1 . . . . A 9 LEU HA . 30481 1 95 . 1 1 9 9 LEU HB2 H 1 1.585 0.02 . 2 . . . . A 9 LEU HB2 . 30481 1 96 . 1 1 9 9 LEU HB3 H 1 1.235 0.02 . 2 . . . . A 9 LEU HB3 . 30481 1 97 . 1 1 9 9 LEU HG H 1 1.594 0.02 . 1 . . . . A 9 LEU HG . 30481 1 98 . 1 1 9 9 LEU HD11 H 1 0.536 0.02 . 1 . . . . A 9 LEU HD11 . 30481 1 99 . 1 1 9 9 LEU HD12 H 1 0.536 0.02 . 1 . . . . A 9 LEU HD12 . 30481 1 100 . 1 1 9 9 LEU HD13 H 1 0.536 0.02 . 1 . . . . A 9 LEU HD13 . 30481 1 101 . 1 1 9 9 LEU HD21 H 1 0.536 0.02 . 1 . . . . A 9 LEU HD21 . 30481 1 102 . 1 1 9 9 LEU HD22 H 1 0.536 0.02 . 1 . . . . A 9 LEU HD22 . 30481 1 103 . 1 1 9 9 LEU HD23 H 1 0.536 0.02 . 1 . . . . A 9 LEU HD23 . 30481 1 104 . 1 1 9 9 LEU CA C 13 57.983 0.3 . 1 . . . . A 9 LEU CA . 30481 1 105 . 1 1 9 9 LEU CB C 13 41.878 0.3 . 1 . . . . A 9 LEU CB . 30481 1 106 . 1 1 9 9 LEU CG C 13 26.191 0.3 . 1 . . . . A 9 LEU CG . 30481 1 107 . 1 1 9 9 LEU CD1 C 13 21.925 0.3 . 1 . . . . A 9 LEU CD1 . 30481 1 108 . 1 1 9 9 LEU CD2 C 13 21.717 0.3 . 1 . . . . A 9 LEU CD2 . 30481 1 109 . 1 1 9 9 LEU N N 15 118.727 0.3 . 1 . . . . A 9 LEU N . 30481 1 110 . 1 1 10 10 THR H H 1 7.871 0.02 . 1 . . . . A 10 THR H . 30481 1 111 . 1 1 10 10 THR HA H 1 3.875 0.02 . 1 . . . . A 10 THR HA . 30481 1 112 . 1 1 10 10 THR HB H 1 4.03 0.02 . 1 . . . . A 10 THR HB . 30481 1 113 . 1 1 10 10 THR HG21 H 1 1.02 0.02 . 1 . . . . A 10 THR HG21 . 30481 1 114 . 1 1 10 10 THR HG22 H 1 1.02 0.02 . 1 . . . . A 10 THR HG22 . 30481 1 115 . 1 1 10 10 THR HG23 H 1 1.02 0.02 . 1 . . . . A 10 THR HG23 . 30481 1 116 . 1 1 10 10 THR CA C 13 64.204 0.3 . 1 . . . . A 10 THR CA . 30481 1 117 . 1 1 10 10 THR CB C 13 69.612 0.3 . 1 . . . . A 10 THR CB . 30481 1 118 . 1 1 10 10 THR CG2 C 13 21.098 0.3 . 1 . . . . A 10 THR CG2 . 30481 1 119 . 1 1 10 10 THR N N 15 106.6 0.3 . 1 . . . . A 10 THR N . 30481 1 120 . 1 1 11 11 THR H H 1 7.425 0.02 . 1 . . . . A 11 THR H . 30481 1 121 . 1 1 11 11 THR HA H 1 4.07 0.02 . 1 . . . . A 11 THR HA . 30481 1 122 . 1 1 11 11 THR HB H 1 4.006 0.02 . 1 . . . . A 11 THR HB . 30481 1 123 . 1 1 11 11 THR HG21 H 1 1.022 0.02 . 1 . . . . A 11 THR HG21 . 30481 1 124 . 1 1 11 11 THR HG22 H 1 1.022 0.02 . 1 . . . . A 11 THR HG22 . 30481 1 125 . 1 1 11 11 THR HG23 H 1 1.022 0.02 . 1 . . . . A 11 THR HG23 . 30481 1 126 . 1 1 11 11 THR CA C 13 64.075 0.3 . 1 . . . . A 11 THR CA . 30481 1 127 . 1 1 11 11 THR CB C 13 69.979 0.3 . 1 . . . . A 11 THR CB . 30481 1 128 . 1 1 11 11 THR CG2 C 13 20.702 0.3 . 1 . . . . A 11 THR CG2 . 30481 1 129 . 1 1 11 11 THR N N 15 113.319 0.3 . 1 . . . . A 11 THR N . 30481 1 130 . 1 1 12 12 GLY H H 1 7.997 0.02 . 1 . . . . A 12 GLY H . 30481 1 131 . 1 1 12 12 GLY HA2 H 1 3.818 0.02 . 2 . . . . A 12 GLY HA2 . 30481 1 132 . 1 1 12 12 GLY HA3 H 1 3.663 0.02 . 2 . . . . A 12 GLY HA3 . 30481 1 133 . 1 1 12 12 GLY CA C 13 45.759 0.3 . 1 . . . . A 12 GLY CA . 30481 1 134 . 1 1 12 12 GLY N N 15 109.013 0.3 . 1 . . . . A 12 GLY N . 30481 1 135 . 1 1 13 13 LEU H H 1 8.109 0.02 . 1 . . . . A 13 LEU H . 30481 1 136 . 1 1 13 13 LEU HA H 1 4.098 0.02 . 1 . . . . A 13 LEU HA . 30481 1 137 . 1 1 13 13 LEU HB2 H 1 1.515 0.02 . 1 . . . . A 13 LEU HB2 . 30481 1 138 . 1 1 13 13 LEU HB3 H 1 1.442 0.02 . 1 . . . . A 13 LEU HB3 . 30481 1 139 . 1 1 13 13 LEU HG H 1 1.413 0.02 . 1 . . . . A 13 LEU HG . 30481 1 140 . 1 1 13 13 LEU HD11 H 1 0.675 0.02 . 2 . . . . A 13 LEU HD11 . 30481 1 141 . 1 1 13 13 LEU HD12 H 1 0.675 0.02 . 2 . . . . A 13 LEU HD12 . 30481 1 142 . 1 1 13 13 LEU HD13 H 1 0.675 0.02 . 2 . . . . A 13 LEU HD13 . 30481 1 143 . 1 1 13 13 LEU HD21 H 1 0.621 0.02 . 2 . . . . A 13 LEU HD21 . 30481 1 144 . 1 1 13 13 LEU HD22 H 1 0.621 0.02 . 2 . . . . A 13 LEU HD22 . 30481 1 145 . 1 1 13 13 LEU HD23 H 1 0.621 0.02 . 2 . . . . A 13 LEU HD23 . 30481 1 146 . 1 1 13 13 LEU CA C 13 58.803 0.3 . 1 . . . . A 13 LEU CA . 30481 1 147 . 1 1 13 13 LEU CB C 13 39.611 0.3 . 1 . . . . A 13 LEU CB . 30481 1 148 . 1 1 13 13 LEU CG C 13 26.845 0.3 . 1 . . . . A 13 LEU CG . 30481 1 149 . 1 1 13 13 LEU CD1 C 13 23.793 0.3 . 1 . . . . A 13 LEU CD1 . 30481 1 150 . 1 1 13 13 LEU CD2 C 13 23.735 0.3 . 1 . . . . A 13 LEU CD2 . 30481 1 151 . 1 1 13 13 LEU N N 15 121.397 0.3 . 1 . . . . A 13 LEU N . 30481 1 152 . 1 1 14 14 PRO HA H 1 3.902 0.02 . 1 . . . . A 14 PRO HA . 30481 1 153 . 1 1 14 14 PRO HB2 H 1 1.529 0.02 . 1 . . . . A 14 PRO HB2 . 30481 1 154 . 1 1 14 14 PRO HB3 H 1 2.025 0.02 . 1 . . . . A 14 PRO HB3 . 30481 1 155 . 1 1 14 14 PRO HG2 H 1 1.605 0.02 . 1 . . . . A 14 PRO HG2 . 30481 1 156 . 1 1 14 14 PRO HG3 H 1 1.874 0.02 . 1 . . . . A 14 PRO HG3 . 30481 1 157 . 1 1 14 14 PRO HD2 H 1 3.449 0.02 . 1 . . . . A 14 PRO HD2 . 30481 1 158 . 1 1 14 14 PRO HD3 H 1 3.301 0.02 . 1 . . . . A 14 PRO HD3 . 30481 1 159 . 1 1 14 14 PRO CA C 13 66.485 0.3 . 1 . . . . A 14 PRO CA . 30481 1 160 . 1 1 14 14 PRO CB C 13 30.788 0.3 . 1 . . . . A 14 PRO CB . 30481 1 161 . 1 1 14 14 PRO CG C 13 28.192 0.3 . 1 . . . . A 14 PRO CG . 30481 1 162 . 1 1 14 14 PRO CD C 13 49.822 0.3 . 1 . . . . A 14 PRO CD . 30481 1 163 . 1 1 15 15 ALA H H 1 7.131 0.02 . 1 . . . . A 15 ALA H . 30481 1 164 . 1 1 15 15 ALA HA H 1 3.871 0.02 . 1 . . . . A 15 ALA HA . 30481 1 165 . 1 1 15 15 ALA HB1 H 1 1.21 0.02 . 1 . . . . A 15 ALA HB1 . 30481 1 166 . 1 1 15 15 ALA HB2 H 1 1.21 0.02 . 1 . . . . A 15 ALA HB2 . 30481 1 167 . 1 1 15 15 ALA HB3 H 1 1.21 0.02 . 1 . . . . A 15 ALA HB3 . 30481 1 168 . 1 1 15 15 ALA CA C 13 54.572 0.3 . 1 . . . . A 15 ALA CA . 30481 1 169 . 1 1 15 15 ALA CB C 13 17.737 0.3 . 1 . . . . A 15 ALA CB . 30481 1 170 . 1 1 15 15 ALA N N 15 118.587 0.3 . 1 . . . . A 15 ALA N . 30481 1 171 . 1 1 16 16 LEU H H 1 7.654 0.02 . 1 . . . . A 16 LEU H . 30481 1 172 . 1 1 16 16 LEU HA H 1 3.959 0.02 . 1 . . . . A 16 LEU HA . 30481 1 173 . 1 1 16 16 LEU HB2 H 1 1.758 0.02 . 1 . . . . A 16 LEU HB2 . 30481 1 174 . 1 1 16 16 LEU HB3 H 1 1.311 0.02 . 1 . . . . A 16 LEU HB3 . 30481 1 175 . 1 1 16 16 LEU HG H 1 1.401 0.02 . 1 . . . . A 16 LEU HG . 30481 1 176 . 1 1 16 16 LEU HD11 H 1 0.657 0.02 . 2 . . . . A 16 LEU HD11 . 30481 1 177 . 1 1 16 16 LEU HD12 H 1 0.657 0.02 . 2 . . . . A 16 LEU HD12 . 30481 1 178 . 1 1 16 16 LEU HD13 H 1 0.657 0.02 . 2 . . . . A 16 LEU HD13 . 30481 1 179 . 1 1 16 16 LEU HD21 H 1 0.649 0.02 . 2 . . . . A 16 LEU HD21 . 30481 1 180 . 1 1 16 16 LEU HD22 H 1 0.649 0.02 . 2 . . . . A 16 LEU HD22 . 30481 1 181 . 1 1 16 16 LEU HD23 H 1 0.649 0.02 . 2 . . . . A 16 LEU HD23 . 30481 1 182 . 1 1 16 16 LEU CA C 13 58.213 0.3 . 1 . . . . A 16 LEU CA . 30481 1 183 . 1 1 16 16 LEU CB C 13 41.798 0.3 . 1 . . . . A 16 LEU CB . 30481 1 184 . 1 1 16 16 LEU CG C 13 26.94 0.3 . 1 . . . . A 16 LEU CG . 30481 1 185 . 1 1 16 16 LEU CD1 C 13 23.019 0.3 . 1 . . . . A 16 LEU CD1 . 30481 1 186 . 1 1 16 16 LEU CD2 C 13 22.84 0.3 . 1 . . . . A 16 LEU CD2 . 30481 1 187 . 1 1 16 16 LEU N N 15 120.972 0.3 . 1 . . . . A 16 LEU N . 30481 1 188 . 1 1 17 17 ILE H H 1 8.353 0.02 . 1 . . . . A 17 ILE H . 30481 1 189 . 1 1 17 17 ILE HA H 1 3.385 0.02 . 1 . . . . A 17 ILE HA . 30481 1 190 . 1 1 17 17 ILE HB H 1 1.598 0.02 . 1 . . . . A 17 ILE HB . 30481 1 191 . 1 1 17 17 ILE HG12 H 1 0.912 0.02 . 2 . . . . A 17 ILE HG12 . 30481 1 192 . 1 1 17 17 ILE HG13 H 1 0.912 0.02 . 2 . . . . A 17 ILE HG13 . 30481 1 193 . 1 1 17 17 ILE HG21 H 1 0.6 0.02 . 1 . . . . A 17 ILE HG21 . 30481 1 194 . 1 1 17 17 ILE HG22 H 1 0.6 0.02 . 1 . . . . A 17 ILE HG22 . 30481 1 195 . 1 1 17 17 ILE HG23 H 1 0.6 0.02 . 1 . . . . A 17 ILE HG23 . 30481 1 196 . 1 1 17 17 ILE HD11 H 1 0.513 0.02 . 1 . . . . A 17 ILE HD11 . 30481 1 197 . 1 1 17 17 ILE HD12 H 1 0.513 0.02 . 1 . . . . A 17 ILE HD12 . 30481 1 198 . 1 1 17 17 ILE HD13 H 1 0.513 0.02 . 1 . . . . A 17 ILE HD13 . 30481 1 199 . 1 1 17 17 ILE CA C 13 65.162 0.3 . 1 . . . . A 17 ILE CA . 30481 1 200 . 1 1 17 17 ILE CB C 13 37.254 0.3 . 1 . . . . A 17 ILE CB . 30481 1 201 . 1 1 17 17 ILE CG1 C 13 28.823 0.3 . 1 . . . . A 17 ILE CG1 . 30481 1 202 . 1 1 17 17 ILE CG2 C 13 16.379 0.3 . 1 . . . . A 17 ILE CG2 . 30481 1 203 . 1 1 17 17 ILE CD1 C 13 11.572 0.3 . 1 . . . . A 17 ILE CD1 . 30481 1 204 . 1 1 17 17 ILE N N 15 117.822 0.3 . 1 . . . . A 17 ILE N . 30481 1 205 . 1 1 18 18 SER H H 1 7.709 0.02 . 1 . . . . A 18 SER H . 30481 1 206 . 1 1 18 18 SER HA H 1 3.833 0.02 . 1 . . . . A 18 SER HA . 30481 1 207 . 1 1 18 18 SER HB2 H 1 3.789 0.02 . 2 . . . . A 18 SER HB2 . 30481 1 208 . 1 1 18 18 SER HB3 H 1 3.789 0.02 . 2 . . . . A 18 SER HB3 . 30481 1 209 . 1 1 18 18 SER CA C 13 62.177 0.3 . 1 . . . . A 18 SER CA . 30481 1 210 . 1 1 18 18 SER CB C 13 62.669 0.3 . 1 . . . . A 18 SER CB . 30481 1 211 . 1 1 18 18 SER N N 15 112.919 0.3 . 1 . . . . A 18 SER N . 30481 1 212 . 1 1 19 19 TRP H H 1 7.791 0.02 . 1 . . . . A 19 TRP H . 30481 1 213 . 1 1 19 19 TRP HA H 1 4.014 0.02 . 1 . . . . A 19 TRP HA . 30481 1 214 . 1 1 19 19 TRP HB2 H 1 3.402 0.02 . 2 . . . . A 19 TRP HB2 . 30481 1 215 . 1 1 19 19 TRP HB3 H 1 3.098 0.02 . 2 . . . . A 19 TRP HB3 . 30481 1 216 . 1 1 19 19 TRP HE1 H 1 9.741 0.02 . 1 . . . . A 19 TRP HE1 . 30481 1 217 . 1 1 19 19 TRP CA C 13 61.425 0.3 . 1 . . . . A 19 TRP CA . 30481 1 218 . 1 1 19 19 TRP CB C 13 28.935 0.3 . 1 . . . . A 19 TRP CB . 30481 1 219 . 1 1 19 19 TRP N N 15 122.831 0.3 . 1 . . . . A 19 TRP N . 30481 1 220 . 1 1 19 19 TRP NE1 N 15 127.346 0.3 . 1 . . . . A 19 TRP NE1 . 30481 1 221 . 1 1 20 20 ILE H H 1 8.512 0.02 . 1 . . . . A 20 ILE H . 30481 1 222 . 1 1 20 20 ILE HA H 1 3.112 0.02 . 1 . . . . A 20 ILE HA . 30481 1 223 . 1 1 20 20 ILE HB H 1 1.734 0.02 . 1 . . . . A 20 ILE HB . 30481 1 224 . 1 1 20 20 ILE HG12 H 1 1.084 0.02 . 2 . . . . A 20 ILE HG12 . 30481 1 225 . 1 1 20 20 ILE HG13 H 1 0.995 0.02 . 2 . . . . A 20 ILE HG13 . 30481 1 226 . 1 1 20 20 ILE HG21 H 1 0.604 0.02 . 1 . . . . A 20 ILE HG21 . 30481 1 227 . 1 1 20 20 ILE HG22 H 1 0.604 0.02 . 1 . . . . A 20 ILE HG22 . 30481 1 228 . 1 1 20 20 ILE HG23 H 1 0.604 0.02 . 1 . . . . A 20 ILE HG23 . 30481 1 229 . 1 1 20 20 ILE HD11 H 1 0.602 0.02 . 1 . . . . A 20 ILE HD11 . 30481 1 230 . 1 1 20 20 ILE HD12 H 1 0.602 0.02 . 1 . . . . A 20 ILE HD12 . 30481 1 231 . 1 1 20 20 ILE HD13 H 1 0.602 0.02 . 1 . . . . A 20 ILE HD13 . 30481 1 232 . 1 1 20 20 ILE CA C 13 65.658 0.3 . 1 . . . . A 20 ILE CA . 30481 1 233 . 1 1 20 20 ILE CB C 13 38.061 0.3 . 1 . . . . A 20 ILE CB . 30481 1 234 . 1 1 20 20 ILE CG1 C 13 28.225 0.3 . 1 . . . . A 20 ILE CG1 . 30481 1 235 . 1 1 20 20 ILE CG2 C 13 16.312 0.3 . 1 . . . . A 20 ILE CG2 . 30481 1 236 . 1 1 20 20 ILE CD1 C 13 12.466 0.3 . 1 . . . . A 20 ILE CD1 . 30481 1 237 . 1 1 20 20 ILE N N 15 119.903 0.3 . 1 . . . . A 20 ILE N . 30481 1 238 . 1 1 21 21 LYS H H 1 8.129 0.02 . 1 . . . . A 21 LYS H . 30481 1 239 . 1 1 21 21 LYS HA H 1 3.642 0.02 . 1 . . . . A 21 LYS HA . 30481 1 240 . 1 1 21 21 LYS HB2 H 1 1.594 0.02 . 2 . . . . A 21 LYS HB2 . 30481 1 241 . 1 1 21 21 LYS HB3 H 1 1.594 0.02 . 2 . . . . A 21 LYS HB3 . 30481 1 242 . 1 1 21 21 LYS HG2 H 1 1.374 0.02 . 1 . . . . A 21 LYS HG2 . 30481 1 243 . 1 1 21 21 LYS HG3 H 1 1.374 0.02 . 1 . . . . A 21 LYS HG3 . 30481 1 244 . 1 1 21 21 LYS HD2 H 1 1.361 0.02 . 2 . . . . A 21 LYS HD2 . 30481 1 245 . 1 1 21 21 LYS HD3 H 1 1.361 0.02 . 2 . . . . A 21 LYS HD3 . 30481 1 246 . 1 1 21 21 LYS HE2 H 1 2.612 0.02 . 2 . . . . A 21 LYS HE2 . 30481 1 247 . 1 1 21 21 LYS HE3 H 1 2.612 0.02 . 2 . . . . A 21 LYS HE3 . 30481 1 248 . 1 1 21 21 LYS CA C 13 59.049 0.3 . 1 . . . . A 21 LYS CA . 30481 1 249 . 1 1 21 21 LYS CB C 13 32.322 0.3 . 1 . . . . A 21 LYS CB . 30481 1 250 . 1 1 21 21 LYS CG C 13 25.686 0.3 . 1 . . . . A 21 LYS CG . 30481 1 251 . 1 1 21 21 LYS CD C 13 29.102 0.3 . 1 . . . . A 21 LYS CD . 30481 1 252 . 1 1 21 21 LYS CE C 13 41.536 0.3 . 1 . . . . A 21 LYS CE . 30481 1 253 . 1 1 21 21 LYS N N 15 117.253 0.3 . 1 . . . . A 21 LYS N . 30481 1 254 . 1 1 22 22 ARG H H 1 7.387 0.02 . 1 . . . . A 22 ARG H . 30481 1 255 . 1 1 22 22 ARG HA H 1 3.829 0.02 . 1 . . . . A 22 ARG HA . 30481 1 256 . 1 1 22 22 ARG HB2 H 1 1.583 0.02 . 2 . . . . A 22 ARG HB2 . 30481 1 257 . 1 1 22 22 ARG HB3 H 1 1.583 0.02 . 2 . . . . A 22 ARG HB3 . 30481 1 258 . 1 1 22 22 ARG HG2 H 1 1.294 0.02 . 2 . . . . A 22 ARG HG2 . 30481 1 259 . 1 1 22 22 ARG HG3 H 1 1.4 0.02 . 2 . . . . A 22 ARG HG3 . 30481 1 260 . 1 1 22 22 ARG HD2 H 1 2.795 0.02 . 2 . . . . A 22 ARG HD2 . 30481 1 261 . 1 1 22 22 ARG HD3 H 1 2.795 0.02 . 2 . . . . A 22 ARG HD3 . 30481 1 262 . 1 1 22 22 ARG CA C 13 57.861 0.3 . 1 . . . . A 22 ARG CA . 30481 1 263 . 1 1 22 22 ARG CB C 13 29.999 0.3 . 1 . . . . A 22 ARG CB . 30481 1 264 . 1 1 22 22 ARG CG C 13 27.15 0.3 . 1 . . . . A 22 ARG CG . 30481 1 265 . 1 1 22 22 ARG CD C 13 43.008 0.3 . 1 . . . . A 22 ARG CD . 30481 1 266 . 1 1 22 22 ARG N N 15 117.539 0.3 . 1 . . . . A 22 ARG N . 30481 1 267 . 1 1 23 23 LYS H H 1 7.802 0.02 . 1 . . . . A 23 LYS H . 30481 1 268 . 1 1 23 23 LYS HA H 1 3.707 0.02 . 1 . . . . A 23 LYS HA . 30481 1 269 . 1 1 23 23 LYS HB2 H 1 1.223 0.02 . 1 . . . . A 23 LYS HB2 . 30481 1 270 . 1 1 23 23 LYS HB3 H 1 1.318 0.02 . 1 . . . . A 23 LYS HB3 . 30481 1 271 . 1 1 23 23 LYS HG2 H 1 1.221 0.02 . 1 . . . . A 23 LYS HG2 . 30481 1 272 . 1 1 23 23 LYS HG3 H 1 1.111 0.02 . 1 . . . . A 23 LYS HG3 . 30481 1 273 . 1 1 23 23 LYS HD2 H 1 1.088 0.02 . 2 . . . . A 23 LYS HD2 . 30481 1 274 . 1 1 23 23 LYS HD3 H 1 1.088 0.02 . 2 . . . . A 23 LYS HD3 . 30481 1 275 . 1 1 23 23 LYS HE2 H 1 2.501 0.02 . 2 . . . . A 23 LYS HE2 . 30481 1 276 . 1 1 23 23 LYS HE3 H 1 2.406 0.02 . 2 . . . . A 23 LYS HE3 . 30481 1 277 . 1 1 23 23 LYS CA C 13 56.978 0.3 . 1 . . . . A 23 LYS CA . 30481 1 278 . 1 1 23 23 LYS CB C 13 31.461 0.3 . 1 . . . . A 23 LYS CB . 30481 1 279 . 1 1 23 23 LYS CG C 13 24.798 0.3 . 1 . . . . A 23 LYS CG . 30481 1 280 . 1 1 23 23 LYS CD C 13 29.11 0.3 . 1 . . . . A 23 LYS CD . 30481 1 281 . 1 1 23 23 LYS CE C 13 41.658 0.3 . 1 . . . . A 23 LYS CE . 30481 1 282 . 1 1 23 23 LYS N N 15 119.511 0.3 . 1 . . . . A 23 LYS N . 30481 1 283 . 1 1 24 24 ARG H H 1 7.778 0.02 . 1 . . . . A 24 ARG H . 30481 1 284 . 1 1 24 24 ARG HA H 1 3.922 0.02 . 1 . . . . A 24 ARG HA . 30481 1 285 . 1 1 24 24 ARG HB2 H 1 1.63 0.02 . 2 . . . . A 24 ARG HB2 . 30481 1 286 . 1 1 24 24 ARG HB3 H 1 1.494 0.02 . 2 . . . . A 24 ARG HB3 . 30481 1 287 . 1 1 24 24 ARG HG2 H 1 1.292 0.02 . 2 . . . . A 24 ARG HG2 . 30481 1 288 . 1 1 24 24 ARG HG3 H 1 1.39 0.02 . 2 . . . . A 24 ARG HG3 . 30481 1 289 . 1 1 24 24 ARG HD2 H 1 2.812 0.02 . 2 . . . . A 24 ARG HD2 . 30481 1 290 . 1 1 24 24 ARG HD3 H 1 2.812 0.02 . 2 . . . . A 24 ARG HD3 . 30481 1 291 . 1 1 24 24 ARG CA C 13 56.423 0.3 . 1 . . . . A 24 ARG CA . 30481 1 292 . 1 1 24 24 ARG CB C 13 30.135 0.3 . 1 . . . . A 24 ARG CB . 30481 1 293 . 1 1 24 24 ARG CG C 13 26.76 0.3 . 1 . . . . A 24 ARG CG . 30481 1 294 . 1 1 24 24 ARG CD C 13 42.906 0.3 . 1 . . . . A 24 ARG CD . 30481 1 295 . 1 1 24 24 ARG N N 15 118.211 0.3 . 1 . . . . A 24 ARG N . 30481 1 296 . 1 1 25 25 GLN H H 1 7.607 0.02 . 1 . . . . A 25 GLN H . 30481 1 297 . 1 1 25 25 GLN HA H 1 3.865 0.02 . 1 . . . . A 25 GLN HA . 30481 1 298 . 1 1 25 25 GLN HB2 H 1 1.833 0.02 . 2 . . . . A 25 GLN HB2 . 30481 1 299 . 1 1 25 25 GLN HB3 H 1 1.639 0.02 . 2 . . . . A 25 GLN HB3 . 30481 1 300 . 1 1 25 25 GLN HG2 H 1 2.019 0.02 . 2 . . . . A 25 GLN HG2 . 30481 1 301 . 1 1 25 25 GLN HG3 H 1 2.019 0.02 . 2 . . . . A 25 GLN HG3 . 30481 1 302 . 1 1 25 25 GLN HE21 H 1 7.307 0.02 . 5 . . . . A 25 GLN HE21 . 30481 1 303 . 1 1 25 25 GLN HE22 H 1 6.547 0.02 . 5 . . . . A 25 GLN HE22 . 30481 1 304 . 1 1 25 25 GLN CA C 13 57.345 0.3 . 1 . . . . A 25 GLN CA . 30481 1 305 . 1 1 25 25 GLN CB C 13 30.607 0.3 . 1 . . . . A 25 GLN CB . 30481 1 306 . 1 1 25 25 GLN CG C 13 34.162 0.3 . 1 . . . . A 25 GLN CG . 30481 1 307 . 1 1 25 25 GLN N N 15 124.767 0.3 . 1 . . . . A 25 GLN N . 30481 1 308 . 1 1 25 25 GLN NE2 N 15 111.268 0.3 . 5 . . . . A 25 GLN NE2 . 30481 1 309 . 1 1 26 26 GLN H H 1 7.613 0.02 . 1 . . . . A 26 GLN H . 30481 1 310 . 1 1 26 26 GLN HA H 1 3.983 0.02 . 1 . . . . A 26 GLN HA . 30481 1 311 . 1 1 26 26 GLN HB2 H 1 1.873 0.02 . 2 . . . . A 26 GLN HB2 . 30481 1 312 . 1 1 26 26 GLN HB3 H 1 1.778 0.02 . 2 . . . . A 26 GLN HB3 . 30481 1 313 . 1 1 26 26 GLN HG2 H 1 2.091 0.02 . 2 . . . . A 26 GLN HG2 . 30481 1 314 . 1 1 26 26 GLN HG3 H 1 2.091 0.02 . 2 . . . . A 26 GLN HG3 . 30481 1 315 . 1 1 26 26 GLN HE21 H 1 7.356 0.02 . 5 . . . . A 26 GLN HE21 . 30481 1 316 . 1 1 26 26 GLN HE22 H 1 6.544 0.02 . 5 . . . . A 26 GLN HE22 . 30481 1 317 . 1 1 26 26 GLN CA C 13 55.98 0.3 . 1 . . . . A 26 GLN CA . 30481 1 318 . 1 1 26 26 GLN CB C 13 28.99 0.3 . 1 . . . . A 26 GLN CB . 30481 1 319 . 1 1 26 26 GLN CG C 13 33.764 0.3 . 1 . . . . A 26 GLN CG . 30481 1 320 . 1 1 26 26 GLN N N 15 125.125 0.3 . 1 . . . . A 26 GLN N . 30481 1 321 . 1 1 26 26 GLN NE2 N 15 111.402 0.3 . 5 . . . . A 26 GLN NE2 . 30481 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 30481 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-13C 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 ; # Number of dimensions 3 # FORMAT xeasy3D # INAME 1 HC # INAME 2 H # INAME 3 C # SPECTRUM C13NOESY HC H C 1 1.954 0.564 31.704 0 U 9.459E+03 0.000E+00 - 0 0 0 0 3 1.954 0.624 31.704 0 U 1.605E+04 0.000E+00 - 0 0 0 0 4 1.954 3.778 31.704 0 U 4.663E+03 0.000E+00 - 0 0 0 0 5 1.954 0.654 31.704 0 U 1.629E+04 0.000E+00 - 0 0 0 0 6 1.954 8.083 31.704 0 U 2.533E+03 0.000E+00 - 0 0 0 0 7 1.954 7.177 31.704 0 U 5.115E+03 0.000E+00 - 0 0 0 0 8 1.954 0.602 31.704 0 U 1.605E+04 0.000E+00 - 0 0 0 0 9 1.954 0.637 31.704 0 U 1.629E+04 0.000E+00 - 0 0 0 0 10 3.829 1.294 57.861 0 U 6.689E+03 0.000E+00 - 0 0 0 0 11 3.829 1.292 57.861 0 U 6.689E+03 0.000E+00 - 0 0 0 0 12 3.829 2.812 57.861 0 U 3.590E+03 0.000E+00 - 0 0 0 0 13 3.829 7.387 57.861 0 U 5.406E+03 0.000E+00 - 0 0 0 0 15 3.829 1.594 57.861 0 U 1.251E+04 0.000E+00 - 0 0 0 0 16 3.829 1.390 57.861 0 U 6.855E+03 0.000E+00 - 0 0 0 0 17 3.829 1.361 57.861 0 U 7.094E+03 0.000E+00 - 0 0 0 0 18 3.829 1.400 57.861 0 U 6.168E+03 0.000E+00 - 0 0 0 0 19 3.829 2.795 57.861 0 U 3.590E+03 0.000E+00 - 0 0 0 0 20 3.829 1.583 57.861 0 U 1.433E+04 0.000E+00 - 0 0 0 0 21 0.621 1.413 23.735 0 U 2.319E+04 0.000E+00 - 0 0 0 0 22 0.621 1.515 23.735 0 U 1.325E+04 0.000E+00 - 0 0 0 0 23 0.621 0.675 23.735 0 U 2.171E+05 0.000E+00 - 0 0 0 0 24 0.621 1.442 23.735 0 U 2.372E+04 0.000E+00 - 0 0 0 0 25 0.621 4.098 23.735 0 U 5.519E+03 0.000E+00 - 0 0 0 0 26 3.449 1.442 49.822 0 U 4.465E+03 0.000E+00 - 0 0 0 0 27 3.449 3.301 49.822 0 U 5.201E+03 0.000E+00 - 0 0 0 0 28 3.871 1.210 54.572 0 U 1.083E+04 0.000E+00 - 0 0 0 0 29 3.871 3.902 54.572 0 U 1.556E+04 0.000E+00 - 0 0 0 0 30 3.871 3.959 54.572 0 U 5.531E+03 0.000E+00 - 0 0 0 0 31 3.833 3.789 62.177 0 U 1.876E+04 0.000E+00 - 0 0 0 0 32 1.874 3.902 28.192 0 U 3.460E+03 0.000E+00 - 0 0 0 0 33 1.874 1.605 28.192 0 U 6.844E+03 0.000E+00 - 0 0 0 0 34 1.874 1.529 28.192 0 U 4.366E+03 0.000E+00 - 0 0 0 0 35 1.874 2.025 28.192 0 U 5.904E+03 0.000E+00 - 0 0 0 0 36 0.536 7.739 21.925 0 U 1.563E+03 0.000E+00 - 0 0 0 0 37 0.536 0.536 21.925 0 U 3.443E+05 0.000E+00 - 0 0 0 0 38 0.536 8.292 21.925 0 U 3.537E+03 0.000E+00 - 0 0 0 0 39 0.536 1.594 21.925 0 U 2.514E+04 0.000E+00 - 0 0 0 0 40 0.536 1.235 21.925 0 U 1.363E+04 0.000E+00 - 0 0 0 0 41 0.536 2.017 21.925 0 U 5.448E+03 0.000E+00 - 0 0 0 0 42 0.536 3.782 21.925 0 U 1.794E+04 0.000E+00 - 0 0 0 0 43 0.536 1.585 21.925 0 U 2.514E+04 0.000E+00 - 0 0 0 0 44 0.564 1.954 24.606 0 U 4.343E+03 0.000E+00 - 0 0 0 0 45 0.564 1.204 24.606 0 U 1.923E+04 0.000E+00 - 0 0 0 0 46 0.564 3.765 24.606 0 U 6.486E+03 0.000E+00 - 0 0 0 0 47 0.564 1.560 24.606 0 U 2.033E+04 0.000E+00 - 0 0 0 0 48 0.564 0.556 24.606 0 U 3.493E+05 0.000E+00 - 0 0 0 0 49 0.564 0.624 24.606 0 U 2.818E+05 0.000E+00 - 0 0 0 0 50 0.564 1.206 24.606 0 U 1.923E+04 0.000E+00 - 0 0 0 0 51 0.564 1.514 24.606 0 U 2.084E+04 0.000E+00 - 0 0 0 0 52 0.564 1.362 24.606 0 U 1.548E+04 0.000E+00 - 0 0 0 0 53 0.564 1.669 24.606 0 U 5.656E+03 0.000E+00 - 0 0 0 0 54 0.564 0.637 24.606 0 U 1.794E+05 0.000E+00 - 0 0 0 0 55 3.663 7.997 45.759 0 U 3.274E+03 0.000E+00 - 0 0 0 0 56 3.663 3.818 45.759 0 U 8.276E+03 0.000E+00 - 0 0 0 0 58 3.642 1.594 59.049 0 U 9.947E+03 0.000E+00 - 0 0 0 0 59 3.642 1.361 59.049 0 U 6.915E+03 0.000E+00 - 0 0 0 0 60 3.642 1.374 59.049 0 U 7.012E+03 0.000E+00 - 0 0 0 0 61 1.873 3.983 28.990 0 U 5.977E+03 0.000E+00 - 0 0 0 0 62 1.873 1.778 28.990 0 U 2.607E+04 0.000E+00 - 0 0 0 0 63 1.873 1.630 28.990 0 U 8.455E+03 0.000E+00 - 0 0 0 0 64 1.873 2.091 28.990 0 U 1.454E+04 0.000E+00 - 0 0 0 0 65 1.204 0.564 17.948 0 U 3.279E+03 0.000E+00 - 0 0 0 0 66 1.204 1.576 17.948 0 U 3.831E+03 0.000E+00 - 0 0 0 0 67 1.204 3.765 17.948 0 U 8.856E+03 0.000E+00 - 0 0 0 0 68 1.204 1.560 17.948 0 U 3.831E+03 0.000E+00 - 0 0 0 0 69 1.204 0.556 17.948 0 U 3.279E+03 0.000E+00 - 0 0 0 0 70 1.204 3.828 17.948 0 U 2.448E+04 0.000E+00 - 0 0 0 0 71 1.204 0.624 17.948 0 U 5.617E+03 0.000E+00 - 0 0 0 0 72 1.204 0.774 17.948 0 U 6.352E+03 0.000E+00 - 0 0 0 0 73 1.204 7.628 17.948 0 U 1.083E+04 0.000E+00 - 0 0 0 0 74 1.204 7.177 17.948 0 U 6.945E+03 0.000E+00 - 0 0 0 0 75 1.204 1.206 17.948 0 U 1.612E+05 0.000E+00 - 0 0 0 0 76 1.204 0.637 17.948 0 U 5.505E+03 0.000E+00 - 0 0 0 0 77 3.983 1.873 55.980 0 U 9.942E+03 0.000E+00 - 0 0 0 0 78 3.983 1.778 55.980 0 U 8.603E+03 0.000E+00 - 0 0 0 0 79 3.983 3.865 55.980 0 U 6.654E+03 0.000E+00 - 0 0 0 0 80 3.983 2.091 55.980 0 U 7.650E+03 0.000E+00 - 0 0 0 0 81 3.983 7.613 55.980 0 U 8.435E+03 0.000E+00 - 0 0 0 0 82 3.983 7.607 55.980 0 U 8.435E+03 0.000E+00 - 0 0 0 0 83 4.030 4.006 69.612 0 U 2.507E+04 0.000E+00 - 0 0 0 0 84 4.030 4.070 69.612 0 U 2.267E+04 0.000E+00 - 0 0 0 0 85 4.030 1.020 69.612 0 U 1.842E+04 0.000E+00 - 0 0 0 0 86 4.030 3.875 69.612 0 U 1.218E+04 0.000E+00 - 0 0 0 0 87 4.030 1.022 69.612 0 U 1.842E+04 0.000E+00 - 0 0 0 0 88 1.778 1.873 28.990 0 U 2.680E+04 0.000E+00 - 0 0 0 0 89 1.778 3.983 28.990 0 U 6.647E+03 0.000E+00 - 0 0 0 0 90 1.778 2.091 28.990 0 U 1.186E+04 0.000E+00 - 0 0 0 0 91 3.281 0.556 66.308 0 U 7.424E+03 0.000E+00 - 0 0 0 0 92 3.281 0.774 66.308 0 U 9.501E+03 0.000E+00 - 0 0 0 0 93 3.281 0.724 66.308 0 U 1.228E+04 0.000E+00 - 0 0 0 0 94 3.281 2.017 66.308 0 U 7.164E+03 0.000E+00 - 0 0 0 0 95 1.576 1.204 38.354 0 U 4.102E+03 0.000E+00 - 0 0 0 0 96 1.576 3.778 38.354 0 U 4.578E+03 0.000E+00 - 0 0 0 0 97 1.576 0.654 38.354 0 U 1.149E+04 0.000E+00 - 0 0 0 0 98 1.576 0.602 38.354 0 U 1.100E+04 0.000E+00 - 0 0 0 0 99 3.436 3.563 46.954 0 U 1.437E+04 0.000E+00 - 0 0 0 0 100 3.436 8.564 46.954 0 U 2.975E+03 0.000E+00 - 0 0 0 0 101 3.436 0.654 46.954 0 U 3.602E+03 0.000E+00 - 0 0 0 0 102 3.436 3.558 46.954 0 U 1.437E+04 0.000E+00 - 0 0 0 0 103 3.436 3.441 46.954 0 U 1.363E+04 0.000E+00 - 0 0 0 0 104 0.657 0.649 23.019 0 U 1.729E+05 0.000E+00 - 0 0 0 0 105 0.657 1.401 23.019 0 U 1.276E+04 0.000E+00 - 0 0 0 0 106 0.657 1.758 23.019 0 U 9.711E+03 0.000E+00 - 0 0 0 0 107 0.657 3.959 23.019 0 U 6.773E+03 0.000E+00 - 0 0 0 0 108 0.657 0.600 23.019 0 U 1.313E+05 0.000E+00 - 0 0 0 0 109 0.657 1.311 23.019 0 U 1.473E+04 0.000E+00 - 0 0 0 0 110 3.922 1.630 56.423 0 U 5.388E+03 0.000E+00 - 0 0 0 0 111 3.922 1.390 56.423 0 U 4.478E+03 0.000E+00 - 0 0 0 0 112 3.922 1.400 56.423 0 U 5.638E+03 0.000E+00 - 0 0 0 0 113 3.922 1.494 56.423 0 U 6.941E+03 0.000E+00 - 0 0 0 0 114 3.922 7.778 56.423 0 U 5.830E+03 0.000E+00 - 0 0 0 0 115 1.630 1.873 30.135 0 U 1.525E+04 0.000E+00 - 0 0 0 0 116 1.630 3.922 30.135 0 U 3.075E+03 0.000E+00 - 0 0 0 0 117 1.630 1.292 30.135 0 U 5.764E+03 0.000E+00 - 0 0 0 0 118 1.630 2.812 30.135 0 U 3.335E+03 0.000E+00 - 0 0 0 0 119 1.630 1.833 30.135 0 U 2.241E+04 0.000E+00 - 0 0 0 0 120 1.630 1.390 30.135 0 U 5.430E+03 0.000E+00 - 0 0 0 0 121 1.630 1.494 30.135 0 U 1.214E+04 0.000E+00 - 0 0 0 0 122 1.630 2.019 30.135 0 U 8.104E+03 0.000E+00 - 0 0 0 0 123 1.630 7.778 30.135 0 U 2.767E+03 0.000E+00 - 0 0 0 0 124 3.765 0.564 57.885 0 U 1.888E+04 0.000E+00 - 0 0 0 0 125 3.765 1.204 57.885 0 U 7.580E+03 0.000E+00 - 0 0 0 0 126 3.765 1.560 57.885 0 U 1.216E+04 0.000E+00 - 0 0 0 0 127 3.765 0.556 57.885 0 U 1.888E+04 0.000E+00 - 0 0 0 0 128 3.765 0.624 57.885 0 U 1.140E+04 0.000E+00 - 0 0 0 0 129 3.765 0.724 57.885 0 U 4.956E+03 0.000E+00 - 0 0 0 0 130 3.765 1.206 57.885 0 U 7.580E+03 0.000E+00 - 0 0 0 0 131 3.765 0.637 57.885 0 U 8.128E+03 0.000E+00 - 0 0 0 0 132 2.612 1.111 41.536 0 U 9.154E+03 0.000E+00 - 0 0 0 0 133 2.612 0.604 41.536 0 U 7.356E+03 0.000E+00 - 0 0 0 0 135 2.612 1.594 41.536 0 U 4.216E+03 0.000E+00 - 0 0 0 0 136 2.612 1.361 41.536 0 U 2.981E+04 0.000E+00 - 0 0 0 0 138 1.294 3.829 27.150 0 U 3.711E+03 0.000E+00 - 0 0 0 0 139 1.294 7.802 27.150 0 U 3.956E+03 0.000E+00 - 0 0 0 0 140 1.294 1.292 27.150 0 U 3.102E+04 0.000E+00 - 0 0 0 0 141 1.294 1.390 27.150 0 U 2.657E+04 0.000E+00 - 0 0 0 0 142 1.294 1.361 27.150 0 U 2.907E+04 0.000E+00 - 0 0 0 0 143 1.294 1.223 27.150 0 U 1.437E+04 0.000E+00 - 0 0 0 0 144 1.294 1.374 27.150 0 U 2.657E+04 0.000E+00 - 0 0 0 0 145 1.294 1.318 27.150 0 U 3.109E+04 0.000E+00 - 0 0 0 0 146 1.294 1.400 27.150 0 U 2.406E+04 0.000E+00 - 0 0 0 0 147 1.294 2.795 27.150 0 U 8.957E+03 0.000E+00 - 0 0 0 0 148 3.671 1.093 59.631 0 U 5.438E+03 0.000E+00 - 0 0 0 0 149 3.671 1.362 59.631 0 U 5.368E+03 0.000E+00 - 0 0 0 0 150 3.671 1.669 59.631 0 U 1.004E+04 0.000E+00 - 0 0 0 0 151 1.734 3.112 38.061 0 U 2.907E+03 0.000E+00 - 0 0 0 0 152 1.734 0.604 38.061 0 U 1.163E+04 0.000E+00 - 0 0 0 0 153 1.734 8.512 38.061 0 U 2.443E+03 0.000E+00 - 0 0 0 0 154 1.734 1.758 38.061 0 U 7.969E+03 0.000E+00 - 0 0 0 0 155 1.734 8.129 38.061 0 U 1.833E+03 0.000E+00 - 0 0 0 0 157 1.734 0.602 38.061 0 U 1.163E+04 0.000E+00 - 0 0 0 0 158 0.649 0.657 22.840 0 U 1.882E+05 0.000E+00 - 0 0 0 0 159 0.649 1.401 22.840 0 U 1.339E+04 0.000E+00 - 0 0 0 0 160 0.649 1.758 22.840 0 U 1.086E+04 0.000E+00 - 0 0 0 0 161 0.649 3.959 22.840 0 U 8.505E+03 0.000E+00 - 0 0 0 0 162 0.649 0.600 22.840 0 U 1.487E+05 0.000E+00 - 0 0 0 0 163 0.649 1.311 22.840 0 U 1.694E+04 0.000E+00 - 0 0 0 0 164 3.289 1.954 66.128 0 U 8.168E+03 0.000E+00 - 0 0 0 0 165 3.289 0.556 66.128 0 U 7.965E+03 0.000E+00 - 0 0 0 0 166 3.289 0.624 66.128 0 U 1.315E+04 0.000E+00 - 0 0 0 0 167 3.289 7.628 66.128 0 U 4.126E+03 0.000E+00 - 0 0 0 0 168 3.289 0.637 66.128 0 U 1.364E+04 0.000E+00 - 0 0 0 0 169 1.292 3.829 26.760 0 U 1.455E+03 0.000E+00 - 0 0 0 0 170 1.292 1.630 26.760 0 U 3.469E+03 0.000E+00 - 0 0 0 0 171 1.292 1.294 26.760 0 U 1.638E+04 0.000E+00 - 0 0 0 0 172 1.292 7.802 26.760 0 U 1.944E+03 0.000E+00 - 0 0 0 0 173 1.292 2.812 26.760 0 U 3.789E+03 0.000E+00 - 0 0 0 0 175 1.292 1.390 26.760 0 U 1.461E+04 0.000E+00 - 0 0 0 0 176 1.292 1.223 26.760 0 U 7.008E+03 0.000E+00 - 0 0 0 0 177 1.292 1.318 26.760 0 U 1.685E+04 0.000E+00 - 0 0 0 0 178 1.292 1.400 26.760 0 U 1.280E+04 0.000E+00 - 0 0 0 0 179 1.292 2.795 26.760 0 U 3.789E+03 0.000E+00 - 0 0 0 0 180 1.292 1.494 26.760 0 U 6.011E+03 0.000E+00 - 0 0 0 0 181 1.292 1.221 26.760 0 U 7.008E+03 0.000E+00 - 0 0 0 0 182 1.292 7.778 26.760 0 U 2.363E+03 0.000E+00 - 0 0 0 0 183 3.112 1.734 65.658 0 U 4.363E+03 0.000E+00 - 0 0 0 0 184 3.112 0.604 65.658 0 U 8.698E+03 0.000E+00 - 0 0 0 0 185 3.112 3.098 65.658 0 U 9.477E+03 0.000E+00 - 0 0 0 0 186 3.112 0.602 65.658 0 U 8.698E+03 0.000E+00 - 0 0 0 0 187 0.995 0.604 28.225 0 U 1.652E+04 0.000E+00 - 0 0 0 0 188 0.995 1.084 28.225 0 U 2.105E+04 0.000E+00 - 0 0 0 0 189 0.995 0.602 28.225 0 U 1.652E+04 0.000E+00 - 0 0 0 0 190 2.812 3.829 42.906 0 U 3.165E+03 0.000E+00 - 0 0 0 0 191 2.812 1.630 42.906 0 U 8.613E+03 0.000E+00 - 0 0 0 0 192 2.812 1.292 42.906 0 U 1.182E+04 0.000E+00 - 0 0 0 0 193 2.812 1.390 42.906 0 U 1.278E+04 0.000E+00 - 0 0 0 0 194 2.812 2.795 42.906 0 U 1.320E+05 0.000E+00 - 0 0 0 0 195 2.812 1.494 42.906 0 U 8.915E+03 0.000E+00 - 0 0 0 0 196 2.812 7.778 42.906 0 U 2.722E+03 0.000E+00 - 0 0 0 0 197 0.912 1.529 28.823 0 U 3.406E+03 0.000E+00 - 0 0 0 0 198 0.912 0.513 28.823 0 U 5.865E+03 0.000E+00 - 0 0 0 0 199 0.912 0.600 28.823 0 U 1.670E+04 0.000E+00 - 0 0 0 0 200 1.560 0.564 41.627 0 U 1.090E+04 0.000E+00 - 0 0 0 0 201 1.560 1.204 41.627 0 U 9.432E+03 0.000E+00 - 0 0 0 0 202 1.560 3.765 41.627 0 U 5.284E+03 0.000E+00 - 0 0 0 0 203 1.560 0.556 41.627 0 U 1.090E+04 0.000E+00 - 0 0 0 0 204 1.560 0.624 41.627 0 U 6.628E+03 0.000E+00 - 0 0 0 0 205 1.560 1.206 41.627 0 U 9.432E+03 0.000E+00 - 0 0 0 0 206 1.560 1.514 41.627 0 U 1.215E+04 0.000E+00 - 0 0 0 0 207 1.560 0.637 41.627 0 U 3.817E+03 0.000E+00 - 0 0 0 0 208 0.556 0.564 24.540 0 U 3.396E+05 0.000E+00 - 0 0 0 0 209 0.556 1.204 24.540 0 U 1.806E+04 0.000E+00 - 0 0 0 0 211 0.556 3.765 24.540 0 U 6.098E+03 0.000E+00 - 0 0 0 0 213 0.556 1.560 24.540 0 U 2.077E+04 0.000E+00 - 0 0 0 0 214 0.556 0.624 24.540 0 U 2.523E+05 0.000E+00 - 0 0 0 0 215 0.556 7.628 24.540 0 U 4.108E+03 0.000E+00 - 0 0 0 0 216 0.556 8.083 24.540 0 U 3.683E+03 0.000E+00 - 0 0 0 0 217 0.556 1.206 24.540 0 U 1.806E+04 0.000E+00 - 0 0 0 0 218 0.556 1.514 24.540 0 U 1.957E+04 0.000E+00 - 0 0 0 0 219 0.556 7.578 24.540 0 U 3.923E+03 0.000E+00 - 0 0 0 0 220 0.556 1.362 24.540 0 U 1.265E+04 0.000E+00 - 0 0 0 0 221 0.556 1.669 24.540 0 U 5.516E+03 0.000E+00 - 0 0 0 0 222 0.556 0.637 24.540 0 U 1.564E+05 0.000E+00 - 0 0 0 0 223 1.639 1.833 30.607 0 U 3.616E+04 0.000E+00 - 0 0 0 0 224 1.639 3.865 30.607 0 U 5.912E+03 0.000E+00 - 0 0 0 0 226 1.639 1.390 30.607 0 U 6.141E+03 0.000E+00 - 0 0 0 0 227 1.639 2.019 30.607 0 U 1.414E+04 0.000E+00 - 0 0 0 0 228 3.828 1.204 54.764 0 U 1.123E+04 0.000E+00 - 0 0 0 0 229 3.828 7.628 54.764 0 U 2.836E+03 0.000E+00 - 0 0 0 0 230 3.828 1.183 54.764 0 U 1.147E+04 0.000E+00 - 0 0 0 0 231 3.828 1.669 54.764 0 U 5.038E+03 0.000E+00 - 0 0 0 0 232 4.014 3.098 61.425 0 U 4.434E+03 0.000E+00 - 0 0 0 0 233 1.598 0.513 37.254 0 U 3.225E+03 0.000E+00 - 0 0 0 0 235 1.598 0.600 37.254 0 U 5.887E+03 0.000E+00 - 0 0 0 0 236 0.536 0.536 21.717 0 U 3.443E+05 0.000E+00 - 0 0 0 0 237 0.536 8.292 21.717 0 U 3.537E+03 0.000E+00 - 0 0 0 0 238 0.536 1.594 21.717 0 U 2.514E+04 0.000E+00 - 0 0 0 0 239 0.536 1.235 21.717 0 U 1.363E+04 0.000E+00 - 0 0 0 0 240 0.536 2.017 21.717 0 U 5.448E+03 0.000E+00 - 0 0 0 0 241 0.536 3.782 21.717 0 U 1.794E+04 0.000E+00 - 0 0 0 0 242 0.536 1.585 21.717 0 U 2.514E+04 0.000E+00 - 0 0 0 0 243 0.624 1.954 20.174 0 U 1.287E+04 0.000E+00 - 0 0 0 0 244 0.624 0.564 20.174 0 U 6.248E+04 0.000E+00 - 0 0 0 0 245 0.624 1.204 20.174 0 U 3.484E+03 0.000E+00 - 0 0 0 0 246 0.624 3.765 20.174 0 U 5.425E+03 0.000E+00 - 0 0 0 0 248 0.624 1.560 20.174 0 U 6.162E+03 0.000E+00 - 0 0 0 0 249 0.624 0.556 20.174 0 U 6.248E+04 0.000E+00 - 0 0 0 0 250 0.624 8.083 20.174 0 U 1.744E+03 0.000E+00 - 0 0 0 0 251 0.624 1.206 20.174 0 U 3.484E+03 0.000E+00 - 0 0 0 0 252 0.624 1.514 20.174 0 U 3.378E+03 0.000E+00 - 0 0 0 0 253 0.624 0.637 20.174 0 U 1.414E+05 0.000E+00 - 0 0 0 0 254 1.413 0.621 26.845 0 U 1.797E+04 0.000E+00 - 0 0 0 0 255 1.413 1.529 26.845 0 U 1.760E+04 0.000E+00 - 0 0 0 0 256 1.413 1.515 26.845 0 U 1.760E+04 0.000E+00 - 0 0 0 0 257 1.413 0.675 26.845 0 U 1.621E+04 0.000E+00 - 0 0 0 0 258 1.413 1.442 26.845 0 U 4.230E+04 0.000E+00 - 0 0 0 0 259 1.833 1.630 30.607 0 U 3.751E+04 0.000E+00 - 0 0 0 0 260 1.833 1.639 30.607 0 U 3.882E+04 0.000E+00 - 0 0 0 0 261 1.833 3.865 30.607 0 U 5.444E+03 0.000E+00 - 0 0 0 0 262 1.833 2.019 30.607 0 U 2.657E+04 0.000E+00 - 0 0 0 0 263 1.833 1.583 30.607 0 U 1.481E+04 0.000E+00 - 0 0 0 0 264 1.210 3.871 17.737 0 U 2.292E+04 0.000E+00 - 0 0 0 0 265 1.210 7.654 17.737 0 U 1.007E+04 0.000E+00 - 0 0 0 0 266 1.210 7.131 17.737 0 U 1.137E+04 0.000E+00 - 0 0 0 0 267 3.902 3.871 66.485 0 U 6.384E+03 0.000E+00 - 0 0 0 0 268 3.902 1.874 66.485 0 U 3.975E+03 0.000E+00 - 0 0 0 0 269 3.902 1.529 66.485 0 U 5.530E+03 0.000E+00 - 0 0 0 0 270 3.902 2.025 66.485 0 U 5.072E+03 0.000E+00 - 0 0 0 0 271 1.111 2.612 24.798 0 U 3.706E+03 0.000E+00 - 0 0 0 0 272 1.111 1.374 24.798 0 U 1.108E+04 0.000E+00 - 0 0 0 0 274 1.111 1.361 24.798 0 U 1.214E+04 0.000E+00 - 0 0 0 0 275 1.111 1.223 24.798 0 U 1.589E+04 0.000E+00 - 0 0 0 0 277 1.111 1.318 24.798 0 U 1.061E+04 0.000E+00 - 0 0 0 0 278 1.111 1.221 24.798 0 U 1.589E+04 0.000E+00 - 0 0 0 0 279 1.111 3.707 24.798 0 U 2.771E+03 0.000E+00 - 0 0 0 0 280 0.774 1.204 21.884 0 U 8.377E+03 0.000E+00 - 0 0 0 0 282 0.774 0.724 21.884 0 U 8.271E+04 0.000E+00 - 0 0 0 0 283 0.774 2.017 21.884 0 U 1.609E+04 0.000E+00 - 0 0 0 0 284 0.774 1.362 21.884 0 U 6.146E+03 0.000E+00 - 0 0 0 0 285 0.774 1.669 21.884 0 U 4.213E+03 0.000E+00 - 0 0 0 0 286 1.605 1.874 28.192 0 U 6.037E+03 0.000E+00 - 0 0 0 0 287 1.605 1.529 28.192 0 U 3.584E+03 0.000E+00 - 0 0 0 0 288 1.529 1.874 30.788 0 U 4.071E+03 0.000E+00 - 0 0 0 0 289 1.529 0.912 30.788 0 U 1.550E+03 0.000E+00 - 0 0 0 0 290 1.529 1.598 30.788 0 U 1.563E+04 0.000E+00 - 0 0 0 0 291 1.529 1.413 30.788 0 U 4.969E+03 0.000E+00 - 0 0 0 0 292 1.529 3.902 30.788 0 U 4.321E+03 0.000E+00 - 0 0 0 0 293 1.529 1.605 30.788 0 U 1.563E+04 0.000E+00 - 0 0 0 0 294 1.529 1.515 30.788 0 U 1.285E+04 0.000E+00 - 0 0 0 0 295 1.529 2.025 30.788 0 U 4.620E+03 0.000E+00 - 0 0 0 0 296 1.529 1.442 30.788 0 U 5.506E+03 0.000E+00 - 0 0 0 0 297 3.865 3.983 57.345 0 U 1.006E+04 0.000E+00 - 0 0 0 0 298 3.865 1.639 57.345 0 U 6.492E+03 0.000E+00 - 0 0 0 0 299 3.865 1.833 57.345 0 U 9.369E+03 0.000E+00 - 0 0 0 0 300 3.865 7.613 57.345 0 U 5.173E+03 0.000E+00 - 0 0 0 0 301 3.865 7.607 57.345 0 U 5.173E+03 0.000E+00 - 0 0 0 0 302 1.401 0.657 26.940 0 U 1.659E+04 0.000E+00 - 0 0 0 0 303 1.401 0.649 26.940 0 U 1.959E+04 0.000E+00 - 0 0 0 0 304 1.401 0.513 26.940 0 U 6.169E+03 0.000E+00 - 0 0 0 0 305 1.401 1.311 26.940 0 U 3.146E+04 0.000E+00 - 0 0 0 0 307 0.724 3.765 21.541 0 U 6.513E+03 0.000E+00 - 0 0 0 0 308 0.724 0.774 21.541 0 U 1.454E+05 0.000E+00 - 0 0 0 0 309 0.724 2.017 21.541 0 U 1.375E+04 0.000E+00 - 0 0 0 0 310 0.724 1.362 21.541 0 U 2.764E+03 0.000E+00 - 0 0 0 0 311 0.724 1.669 21.541 0 U 3.821E+03 0.000E+00 - 0 0 0 0 312 1.515 0.621 39.611 0 U 4.766E+03 0.000E+00 - 0 0 0 0 313 1.515 1.413 39.611 0 U 7.161E+03 0.000E+00 - 0 0 0 0 314 1.515 1.529 39.611 0 U 7.119E+03 0.000E+00 - 0 0 0 0 315 1.515 0.675 39.611 0 U 5.677E+03 0.000E+00 - 0 0 0 0 316 1.515 1.442 39.611 0 U 8.220E+03 0.000E+00 - 0 0 0 0 317 1.515 4.098 39.611 0 U 3.432E+03 0.000E+00 - 0 0 0 0 318 3.789 3.833 62.669 0 U 2.747E+04 0.000E+00 - 0 0 0 0 319 3.789 3.789 62.669 0 U 3.530E+04 0.000E+00 - 0 0 0 0 320 3.789 0.604 62.669 0 U 8.131E+03 0.000E+00 - 0 0 0 0 321 3.789 0.600 62.669 0 U 8.131E+03 0.000E+00 - 0 0 0 0 322 3.778 1.954 62.491 0 U 4.889E+03 0.000E+00 - 0 0 0 0 323 3.778 1.576 62.491 0 U 5.520E+03 0.000E+00 - 0 0 0 0 324 3.778 0.654 62.491 0 U 8.218E+03 0.000E+00 - 0 0 0 0 325 3.778 0.602 62.491 0 U 7.695E+03 0.000E+00 - 0 0 0 0 326 3.778 0.637 62.491 0 U 8.218E+03 0.000E+00 - 0 0 0 0 327 0.604 2.612 16.312 0 U 4.636E+03 0.000E+00 - 0 0 0 0 328 0.604 1.734 16.312 0 U 1.174E+04 0.000E+00 - 0 0 0 0 329 0.604 3.112 16.312 0 U 4.370E+03 0.000E+00 - 0 0 0 0 330 0.604 0.995 16.312 0 U 1.062E+04 0.000E+00 - 0 0 0 0 331 0.604 3.098 16.312 0 U 4.370E+03 0.000E+00 - 0 0 0 0 332 0.604 3.402 16.312 0 U 5.799E+03 0.000E+00 - 0 0 0 0 333 0.604 1.084 16.312 0 U 6.621E+03 0.000E+00 - 0 0 0 0 334 0.604 0.602 16.312 0 U 1.711E+05 0.000E+00 - 0 0 0 0 335 3.818 3.663 45.759 0 U 6.001E+03 0.000E+00 - 0 0 0 0 336 3.818 7.997 45.759 0 U 3.273E+03 0.000E+00 - 0 0 0 0 337 3.098 3.112 28.935 0 U 3.915E+03 0.000E+00 - 0 0 0 0 338 3.098 4.014 28.935 0 U 3.472E+03 0.000E+00 - 0 0 0 0 339 3.098 0.604 28.935 0 U 2.191E+03 0.000E+00 - 0 0 0 0 340 3.098 3.402 28.935 0 U 3.758E+03 0.000E+00 - 0 0 0 0 341 3.098 7.791 28.935 0 U 2.114E+03 0.000E+00 - 0 0 0 0 342 4.006 4.030 69.979 0 U 2.640E+04 0.000E+00 - 0 0 0 0 343 4.006 4.070 69.979 0 U 2.144E+04 0.000E+00 - 0 0 0 0 344 4.006 1.020 69.979 0 U 1.888E+04 0.000E+00 - 0 0 0 0 345 4.006 3.875 69.979 0 U 9.446E+03 0.000E+00 - 0 0 0 0 346 4.006 1.022 69.979 0 U 1.888E+04 0.000E+00 - 0 0 0 0 347 0.675 0.621 23.793 0 U 1.400E+05 0.000E+00 - 0 0 0 0 348 0.675 1.413 23.793 0 U 2.009E+04 0.000E+00 - 0 0 0 0 349 0.675 1.515 23.793 0 U 1.006E+04 0.000E+00 - 0 0 0 0 350 0.675 1.442 23.793 0 U 1.846E+04 0.000E+00 - 0 0 0 0 351 0.675 4.098 23.793 0 U 7.204E+03 0.000E+00 - 0 0 0 0 365 1.594 3.829 32.322 0 U 3.382E+03 0.000E+00 - 0 0 0 0 366 1.594 3.642 32.322 0 U 4.270E+03 0.000E+00 - 0 0 0 0 367 1.594 2.612 32.322 0 U 2.775E+03 0.000E+00 - 0 0 0 0 368 1.594 1.111 32.322 0 U 6.585E+03 0.000E+00 - 0 0 0 0 369 1.594 1.374 32.322 0 U 1.105E+04 0.000E+00 - 0 0 0 0 370 1.594 1.361 32.322 0 U 1.213E+04 0.000E+00 - 0 0 0 0 372 1.594 1.400 32.322 0 U 8.155E+03 0.000E+00 - 0 0 0 0 373 3.563 3.436 43.701 0 U 1.061E+04 0.000E+00 - 0 0 0 0 374 3.563 3.558 43.701 0 U 9.563E+03 0.000E+00 - 0 0 0 0 375 3.563 3.441 43.701 0 U 1.061E+04 0.000E+00 - 0 0 0 0 376 1.594 0.536 26.191 0 U 6.069E+03 0.000E+00 - 0 0 0 0 377 1.594 8.292 26.191 0 U 1.527E+03 0.000E+00 - 0 0 0 0 378 1.594 3.782 26.191 0 U 1.615E+03 0.000E+00 - 0 0 0 0 379 1.594 1.585 26.191 0 U 1.103E+04 0.000E+00 - 0 0 0 0 380 2.025 1.874 30.788 0 U 3.943E+03 0.000E+00 - 0 0 0 0 381 2.025 3.902 30.788 0 U 3.975E+03 0.000E+00 - 0 0 0 0 382 2.025 1.529 30.788 0 U 6.129E+03 0.000E+00 - 0 0 0 0 383 0.654 1.954 16.930 0 U 3.482E+03 0.000E+00 - 0 0 0 0 384 0.654 1.576 16.930 0 U 1.182E+04 0.000E+00 - 0 0 0 0 385 0.654 3.436 16.930 0 U 5.443E+03 0.000E+00 - 0 0 0 0 386 0.654 3.778 16.930 0 U 5.990E+03 0.000E+00 - 0 0 0 0 387 0.654 3.558 16.930 0 U 2.674E+03 0.000E+00 - 0 0 0 0 388 0.654 0.602 16.930 0 U 1.765E+05 0.000E+00 - 0 0 0 0 389 1.442 0.621 39.611 0 U 5.992E+03 0.000E+00 - 0 0 0 0 390 1.442 3.449 39.611 0 U 2.553E+03 0.000E+00 - 0 0 0 0 391 1.442 1.413 39.611 0 U 1.118E+04 0.000E+00 - 0 0 0 0 392 1.442 1.529 39.611 0 U 7.228E+03 0.000E+00 - 0 0 0 0 393 1.442 1.515 39.611 0 U 7.228E+03 0.000E+00 - 0 0 0 0 394 1.442 0.675 39.611 0 U 5.897E+03 0.000E+00 - 0 0 0 0 395 1.442 4.098 39.611 0 U 3.708E+03 0.000E+00 - 0 0 0 0 396 1.442 3.301 39.611 0 U 1.971E+03 0.000E+00 - 0 0 0 0 397 4.098 0.621 58.803 0 U 1.239E+04 0.000E+00 - 0 0 0 0 398 4.098 1.515 58.803 0 U 4.087E+03 0.000E+00 - 0 0 0 0 399 4.098 0.675 58.803 0 U 1.143E+04 0.000E+00 - 0 0 0 0 400 4.098 1.442 58.803 0 U 5.946E+03 0.000E+00 - 0 0 0 0 401 4.098 4.070 58.803 0 U 6.457E+03 0.000E+00 - 0 0 0 0 402 1.183 1.095 27.964 0 U 1.055E+04 0.000E+00 - 0 0 0 0 403 1.390 3.829 26.760 0 U 2.603E+03 0.000E+00 - 0 0 0 0 404 1.390 3.922 26.760 0 U 1.787E+03 0.000E+00 - 0 0 0 0 405 1.390 1.630 26.760 0 U 4.758E+03 0.000E+00 - 0 0 0 0 406 1.390 1.294 26.760 0 U 1.710E+04 0.000E+00 - 0 0 0 0 407 1.390 1.292 26.760 0 U 1.710E+04 0.000E+00 - 0 0 0 0 408 1.390 2.812 26.760 0 U 4.211E+03 0.000E+00 - 0 0 0 0 409 1.390 1.639 26.760 0 U 3.213E+03 0.000E+00 - 0 0 0 0 411 1.390 1.223 26.760 0 U 5.402E+03 0.000E+00 - 0 0 0 0 412 1.390 1.318 26.760 0 U 2.120E+04 0.000E+00 - 0 0 0 0 413 1.390 1.400 26.760 0 U 2.333E+04 0.000E+00 - 0 0 0 0 414 1.390 2.795 26.760 0 U 4.211E+03 0.000E+00 - 0 0 0 0 415 1.390 1.494 26.760 0 U 1.002E+04 0.000E+00 - 0 0 0 0 416 1.390 1.221 26.760 0 U 5.402E+03 0.000E+00 - 0 0 0 0 417 1.235 0.536 41.878 0 U 8.707E+03 0.000E+00 - 0 0 0 0 418 1.235 1.093 41.878 0 U 2.002E+03 0.000E+00 - 0 0 0 0 419 1.235 1.362 41.878 0 U 3.000E+02 0.000E+00 - 0 0 0 0 420 1.235 3.782 41.878 0 U 4.429E+03 0.000E+00 - 0 0 0 0 421 1.235 1.669 41.878 0 U 2.378E+03 0.000E+00 - 0 0 0 0 422 1.235 1.585 41.878 0 U 8.842E+03 0.000E+00 - 0 0 0 0 423 1.361 3.829 29.102 0 U 3.542E+03 0.000E+00 - 0 0 0 0 424 1.361 3.642 29.102 0 U 2.400E+03 0.000E+00 - 0 0 0 0 425 1.361 2.612 29.102 0 U 1.013E+04 0.000E+00 - 0 0 0 0 426 1.361 1.294 29.102 0 U 6.019E+04 0.000E+00 - 0 0 0 0 427 1.361 1.111 29.102 0 U 1.305E+04 0.000E+00 - 0 0 0 0 429 1.361 1.594 29.102 0 U 4.728E+03 0.000E+00 - 0 0 0 0 430 1.361 1.223 29.102 0 U 2.090E+04 0.000E+00 - 0 0 0 0 431 1.361 1.374 29.102 0 U 9.603E+04 0.000E+00 - 0 0 0 0 433 1.361 1.318 29.102 0 U 9.075E+04 0.000E+00 - 0 0 0 0 434 1.361 1.400 29.102 0 U 6.270E+04 0.000E+00 - 0 0 0 0 435 1.361 1.221 29.102 0 U 2.090E+04 0.000E+00 - 0 0 0 0 436 1.093 3.671 25.221 0 U 4.231E+03 0.000E+00 - 0 0 0 0 437 1.093 1.235 25.221 0 U 1.480E+04 0.000E+00 - 0 0 0 0 438 1.093 1.206 25.221 0 U 1.687E+04 0.000E+00 - 0 0 0 0 439 1.093 1.362 25.221 0 U 2.083E+04 0.000E+00 - 0 0 0 0 440 1.093 1.669 25.221 0 U 5.427E+03 0.000E+00 - 0 0 0 0 441 1.223 1.294 31.461 0 U 6.826E+03 0.000E+00 - 0 0 0 0 442 1.223 7.802 31.461 0 U 2.493E+03 0.000E+00 - 0 0 0 0 443 1.223 1.292 31.461 0 U 6.826E+03 0.000E+00 - 0 0 0 0 444 1.223 1.111 31.461 0 U 2.772E+03 0.000E+00 - 0 0 0 0 446 1.223 1.390 31.461 0 U 2.597E+03 0.000E+00 - 0 0 0 0 447 1.223 1.361 31.461 0 U 4.348E+03 0.000E+00 - 0 0 0 0 448 1.223 1.318 31.461 0 U 5.847E+03 0.000E+00 - 0 0 0 0 449 1.223 1.221 31.461 0 U 7.073E+03 0.000E+00 - 0 0 0 0 450 1.223 7.778 31.461 0 U 2.432E+03 0.000E+00 - 0 0 0 0 451 1.223 3.707 31.461 0 U 3.208E+03 0.000E+00 - 0 0 0 0 452 1.758 0.657 41.798 0 U 5.656E+03 0.000E+00 - 0 0 0 0 453 1.758 1.734 41.798 0 U 3.611E+03 0.000E+00 - 0 0 0 0 454 1.758 0.649 41.798 0 U 7.002E+03 0.000E+00 - 0 0 0 0 455 1.758 7.654 41.798 0 U 2.918E+03 0.000E+00 - 0 0 0 0 456 1.758 1.311 41.798 0 U 4.863E+03 0.000E+00 - 0 0 0 0 457 2.091 1.873 33.764 0 U 1.667E+04 0.000E+00 - 0 0 0 0 458 2.091 3.983 33.764 0 U 5.533E+03 0.000E+00 - 0 0 0 0 459 2.091 1.778 33.764 0 U 1.515E+04 0.000E+00 - 0 0 0 0 460 2.091 7.613 33.764 0 U 3.557E+03 0.000E+00 - 0 0 0 0 461 1.206 0.564 41.627 0 U 1.308E+04 0.000E+00 - 0 0 0 0 462 1.206 1.204 41.627 0 U 9.756E+03 0.000E+00 - 0 0 0 0 463 1.206 3.765 41.627 0 U 5.941E+03 0.000E+00 - 0 0 0 0 464 1.206 1.560 41.627 0 U 1.306E+04 0.000E+00 - 0 0 0 0 465 1.206 0.556 41.627 0 U 1.308E+04 0.000E+00 - 0 0 0 0 466 1.206 0.624 41.627 0 U 7.876E+03 0.000E+00 - 0 0 0 0 467 1.206 1.093 41.627 0 U 3.311E+03 0.000E+00 - 0 0 0 0 468 1.206 1.514 41.627 0 U 1.147E+04 0.000E+00 - 0 0 0 0 469 1.206 1.669 41.627 0 U 3.820E+02 0.000E+00 - 0 0 0 0 470 1.206 0.637 41.627 0 U 4.693E+03 0.000E+00 - 0 0 0 0 471 2.017 0.564 31.612 0 U 4.830E+03 0.000E+00 - 0 0 0 0 473 2.017 0.556 31.612 0 U 4.830E+03 0.000E+00 - 0 0 0 0 474 2.017 0.536 31.612 0 U 2.375E+03 0.000E+00 - 0 0 0 0 475 2.017 8.292 31.612 0 U 2.924E+03 0.000E+00 - 0 0 0 0 476 2.017 0.774 31.612 0 U 1.044E+04 0.000E+00 - 0 0 0 0 477 2.017 0.724 31.612 0 U 8.848E+03 0.000E+00 - 0 0 0 0 478 2.017 7.578 31.612 0 U 4.820E+03 0.000E+00 - 0 0 0 0 479 3.301 3.449 49.822 0 U 3.108E+03 0.000E+00 - 0 0 0 0 480 3.301 8.109 49.822 0 U 1.673E+03 0.000E+00 - 0 0 0 0 481 3.301 1.442 49.822 0 U 3.201E+03 0.000E+00 - 0 0 0 0 482 1.374 3.642 25.686 0 U 2.222E+03 0.000E+00 - 0 0 0 0 483 1.374 1.294 25.686 0 U 1.046E+04 0.000E+00 - 0 0 0 0 484 1.374 1.111 25.686 0 U 5.298E+03 0.000E+00 - 0 0 0 0 485 1.374 1.374 25.686 0 U 1.435E+04 0.000E+00 - 0 0 0 0 487 1.374 1.594 25.686 0 U 4.858E+03 0.000E+00 - 0 0 0 0 488 1.374 1.361 25.686 0 U 1.561E+04 0.000E+00 - 0 0 0 0 489 1.374 1.318 25.686 0 U 1.402E+04 0.000E+00 - 0 0 0 0 490 1.374 1.400 25.686 0 U 1.088E+04 0.000E+00 - 0 0 0 0 491 3.959 3.871 58.213 0 U 5.231E+03 0.000E+00 - 0 0 0 0 492 3.959 0.657 58.213 0 U 7.861E+03 0.000E+00 - 0 0 0 0 493 3.959 0.649 58.213 0 U 8.929E+03 0.000E+00 - 0 0 0 0 494 3.959 0.600 58.213 0 U 8.295E+03 0.000E+00 - 0 0 0 0 495 0.513 0.912 11.572 0 U 1.121E+04 0.000E+00 - 0 0 0 0 496 0.513 1.598 11.572 0 U 9.339E+03 0.000E+00 - 0 0 0 0 497 0.513 1.401 11.572 0 U 1.291E+04 0.000E+00 - 0 0 0 0 498 0.513 0.600 11.572 0 U 5.563E+04 0.000E+00 - 0 0 0 0 499 0.513 1.311 11.572 0 U 9.505E+03 0.000E+00 - 0 0 0 0 500 1.514 0.564 26.525 0 U 1.603E+04 0.000E+00 - 0 0 0 0 501 1.514 1.560 26.525 0 U 1.416E+04 0.000E+00 - 0 0 0 0 502 1.514 0.556 26.525 0 U 1.603E+04 0.000E+00 - 0 0 0 0 503 1.514 0.624 26.525 0 U 1.201E+04 0.000E+00 - 0 0 0 0 504 1.514 8.083 26.525 0 U 3.809E+03 0.000E+00 - 0 0 0 0 505 1.514 1.206 26.525 0 U 5.194E+03 0.000E+00 - 0 0 0 0 506 1.514 0.637 26.525 0 U 8.257E+03 0.000E+00 - 0 0 0 0 513 3.402 0.604 28.935 0 U 2.988E+03 0.000E+00 - 0 0 0 0 514 3.402 3.098 28.935 0 U 4.373E+03 0.000E+00 - 0 0 0 0 515 1.318 1.294 31.461 0 U 5.794E+03 0.000E+00 - 0 0 0 0 516 1.318 7.802 31.461 0 U 2.207E+03 0.000E+00 - 0 0 0 0 517 1.318 1.292 31.461 0 U 5.794E+03 0.000E+00 - 0 0 0 0 518 1.318 1.111 31.461 0 U 2.222E+03 0.000E+00 - 0 0 0 0 519 1.318 1.374 31.461 0 U 2.928E+03 0.000E+00 - 0 0 0 0 521 1.318 1.390 31.461 0 U 2.928E+03 0.000E+00 - 0 0 0 0 522 1.318 1.361 31.461 0 U 4.064E+03 0.000E+00 - 0 0 0 0 523 1.318 1.223 31.461 0 U 5.818E+03 0.000E+00 - 0 0 0 0 524 1.318 1.400 31.461 0 U 1.928E+03 0.000E+00 - 0 0 0 0 525 1.318 1.221 31.461 0 U 5.818E+03 0.000E+00 - 0 0 0 0 526 1.318 3.707 31.461 0 U 1.442E+03 0.000E+00 - 0 0 0 0 527 1.400 3.829 27.150 0 U 5.592E+03 0.000E+00 - 0 0 0 0 528 1.400 3.922 27.150 0 U 5.731E+03 0.000E+00 - 0 0 0 0 529 1.400 1.294 27.150 0 U 2.686E+04 0.000E+00 - 0 0 0 0 530 1.400 7.802 27.150 0 U 2.936E+03 0.000E+00 - 0 0 0 0 531 1.400 1.292 27.150 0 U 2.686E+04 0.000E+00 - 0 0 0 0 532 1.400 1.594 27.150 0 U 1.226E+04 0.000E+00 - 0 0 0 0 533 1.400 1.390 27.150 0 U 4.138E+04 0.000E+00 - 0 0 0 0 534 1.400 1.361 27.150 0 U 3.667E+04 0.000E+00 - 0 0 0 0 535 1.400 1.374 27.150 0 U 4.138E+04 0.000E+00 - 0 0 0 0 536 1.400 1.318 27.150 0 U 3.146E+04 0.000E+00 - 0 0 0 0 537 1.400 2.795 27.150 0 U 9.566E+03 0.000E+00 - 0 0 0 0 538 1.400 7.778 27.150 0 U 3.574E+03 0.000E+00 - 0 0 0 0 539 1.084 0.995 28.225 0 U 1.576E+04 0.000E+00 - 0 0 0 0 540 1.084 0.604 28.225 0 U 3.208E+03 0.000E+00 - 0 0 0 0 541 1.084 7.791 28.225 0 U 2.269E+03 0.000E+00 - 0 0 0 0 542 1.084 0.602 28.225 0 U 3.208E+03 0.000E+00 - 0 0 0 0 543 4.070 4.030 64.075 0 U 2.494E+04 0.000E+00 - 0 0 0 0 544 4.070 4.006 64.075 0 U 1.893E+04 0.000E+00 - 0 0 0 0 545 4.070 4.098 64.075 0 U 2.270E+04 0.000E+00 - 0 0 0 0 546 4.070 1.020 64.075 0 U 6.456E+03 0.000E+00 - 0 0 0 0 547 4.070 1.022 64.075 0 U 6.456E+03 0.000E+00 - 0 0 0 0 548 2.795 3.829 43.008 0 U 3.916E+03 0.000E+00 - 0 0 0 0 549 2.795 1.294 43.008 0 U 1.373E+04 0.000E+00 - 0 0 0 0 550 2.795 1.292 43.008 0 U 1.373E+04 0.000E+00 - 0 0 0 0 551 2.795 2.812 43.008 0 U 1.405E+05 0.000E+00 - 0 0 0 0 552 2.795 1.390 43.008 0 U 1.474E+04 0.000E+00 - 0 0 0 0 553 2.795 1.400 43.008 0 U 1.378E+04 0.000E+00 - 0 0 0 0 554 1.362 0.564 29.084 0 U 9.022E+03 0.000E+00 - 0 0 0 0 555 1.362 7.739 29.084 0 U 1.549E+03 0.000E+00 - 0 0 0 0 556 1.362 3.671 29.084 0 U 2.270E+03 0.000E+00 - 0 0 0 0 557 1.362 0.556 29.084 0 U 9.022E+03 0.000E+00 - 0 0 0 0 558 1.362 0.774 29.084 0 U 3.447E+03 0.000E+00 - 0 0 0 0 559 1.362 0.724 29.084 0 U 3.853E+03 0.000E+00 - 0 0 0 0 560 1.362 1.235 29.084 0 U 2.286E+04 0.000E+00 - 0 0 0 0 561 1.362 1.093 29.084 0 U 1.305E+04 0.000E+00 - 0 0 0 0 562 1.362 3.782 29.084 0 U 2.563E+03 0.000E+00 - 0 0 0 0 563 1.362 1.669 29.084 0 U 7.091E+03 0.000E+00 - 0 0 0 0 564 1.494 3.922 30.135 0 U 3.560E+03 0.000E+00 - 0 0 0 0 565 1.494 1.630 30.135 0 U 1.148E+04 0.000E+00 - 0 0 0 0 566 1.494 1.292 30.135 0 U 4.981E+03 0.000E+00 - 0 0 0 0 567 1.494 2.812 30.135 0 U 2.925E+03 0.000E+00 - 0 0 0 0 568 1.494 1.390 30.135 0 U 5.711E+03 0.000E+00 - 0 0 0 0 569 1.494 7.778 30.135 0 U 2.232E+03 0.000E+00 - 0 0 0 0 570 0.600 0.657 16.379 0 U 9.727E+04 0.000E+00 - 0 0 0 0 571 0.600 0.649 16.379 0 U 1.478E+05 0.000E+00 - 0 0 0 0 572 0.600 0.912 16.379 0 U 1.354E+04 0.000E+00 - 0 0 0 0 573 0.600 7.654 16.379 0 U 3.458E+03 0.000E+00 - 0 0 0 0 574 0.600 1.598 16.379 0 U 1.448E+04 0.000E+00 - 0 0 0 0 575 0.600 3.789 16.379 0 U 3.125E+03 0.000E+00 - 0 0 0 0 576 0.600 3.959 16.379 0 U 3.915E+03 0.000E+00 - 0 0 0 0 577 0.600 0.513 16.379 0 U 3.021E+04 0.000E+00 - 0 0 0 0 578 0.600 8.353 16.379 0 U 4.418E+03 0.000E+00 - 0 0 0 0 580 0.600 1.311 16.379 0 U 1.278E+04 0.000E+00 - 0 0 0 0 581 3.782 0.536 57.983 0 U 1.971E+04 0.000E+00 - 0 0 0 0 582 3.782 1.594 57.983 0 U 1.169E+04 0.000E+00 - 0 0 0 0 583 3.782 1.235 57.983 0 U 7.942E+03 0.000E+00 - 0 0 0 0 584 3.782 1.362 57.983 0 U 4.539E+03 0.000E+00 - 0 0 0 0 585 3.782 1.585 57.983 0 U 1.169E+04 0.000E+00 - 0 0 0 0 586 3.782 3.875 57.983 0 U 1.424E+04 0.000E+00 - 0 0 0 0 587 1.669 0.564 31.958 0 U 1.886E+03 0.000E+00 - 0 0 0 0 588 1.669 7.739 31.958 0 U 8.086E+03 0.000E+00 - 0 0 0 0 589 1.669 3.671 31.958 0 U 6.682E+03 0.000E+00 - 0 0 0 0 590 1.669 0.556 31.958 0 U 1.886E+03 0.000E+00 - 0 0 0 0 591 1.669 3.828 31.958 0 U 5.018E+03 0.000E+00 - 0 0 0 0 592 1.669 0.774 31.958 0 U 3.127E+03 0.000E+00 - 0 0 0 0 593 1.669 0.724 31.958 0 U 2.708E+03 0.000E+00 - 0 0 0 0 594 1.669 1.235 31.958 0 U 7.017E+03 0.000E+00 - 0 0 0 0 595 1.669 1.093 31.958 0 U 8.427E+03 0.000E+00 - 0 0 0 0 596 1.669 1.206 31.958 0 U 8.547E+03 0.000E+00 - 0 0 0 0 597 1.669 7.578 31.958 0 U 4.821E+03 0.000E+00 - 0 0 0 0 598 1.669 1.362 31.958 0 U 8.068E+03 0.000E+00 - 0 0 0 0 599 1.020 4.030 21.098 0 U 3.324E+04 0.000E+00 - 0 0 0 0 600 1.020 4.006 21.098 0 U 3.061E+04 0.000E+00 - 0 0 0 0 601 1.020 4.070 21.098 0 U 2.917E+04 0.000E+00 - 0 0 0 0 602 1.020 3.875 21.098 0 U 1.841E+04 0.000E+00 - 0 0 0 0 603 1.020 1.022 21.098 0 U 2.652E+05 0.000E+00 - 0 0 0 0 604 2.019 1.630 34.162 0 U 1.582E+04 0.000E+00 - 0 0 0 0 605 2.019 1.639 34.162 0 U 1.633E+04 0.000E+00 - 0 0 0 0 606 2.019 1.833 34.162 0 U 4.070E+04 0.000E+00 - 0 0 0 0 607 2.019 7.613 34.162 0 U 5.000E+03 0.000E+00 - 0 0 0 0 608 1.221 1.292 24.798 0 U 7.222E+03 0.000E+00 - 0 0 0 0 609 1.221 1.111 24.798 0 U 1.107E+04 0.000E+00 - 0 0 0 0 611 1.221 1.390 24.798 0 U 7.130E+03 0.000E+00 - 0 0 0 0 612 1.221 1.361 24.798 0 U 7.834E+03 0.000E+00 - 0 0 0 0 613 1.221 1.223 24.798 0 U 1.662E+04 0.000E+00 - 0 0 0 0 615 1.221 1.318 24.798 0 U 7.172E+03 0.000E+00 - 0 0 0 0 616 3.558 3.436 46.954 0 U 1.160E+04 0.000E+00 - 0 0 0 0 617 3.558 3.563 46.954 0 U 1.219E+04 0.000E+00 - 0 0 0 0 618 3.558 8.564 46.954 0 U 4.649E+03 0.000E+00 - 0 0 0 0 619 3.558 0.654 46.954 0 U 3.894E+03 0.000E+00 - 0 0 0 0 620 3.558 3.441 46.954 0 U 1.160E+04 0.000E+00 - 0 0 0 0 621 1.311 0.657 41.798 0 U 4.807E+03 0.000E+00 - 0 0 0 0 622 1.311 0.649 41.798 0 U 6.039E+03 0.000E+00 - 0 0 0 0 623 1.311 1.401 41.798 0 U 2.816E+03 0.000E+00 - 0 0 0 0 624 1.311 1.758 41.798 0 U 2.914E+03 0.000E+00 - 0 0 0 0 625 1.311 0.513 41.798 0 U 1.211E+03 0.000E+00 - 0 0 0 0 626 1.311 0.600 41.798 0 U 6.682E+03 0.000E+00 - 0 0 0 0 627 1.585 0.536 41.878 0 U 8.732E+03 0.000E+00 - 0 0 0 0 628 1.585 1.594 41.878 0 U 1.121E+04 0.000E+00 - 0 0 0 0 629 1.585 1.235 41.878 0 U 6.881E+03 0.000E+00 - 0 0 0 0 630 1.585 3.782 41.878 0 U 3.166E+03 0.000E+00 - 0 0 0 0 631 3.707 7.802 56.978 0 U 5.987E+03 0.000E+00 - 0 0 0 0 632 3.707 1.111 56.978 0 U 5.321E+03 0.000E+00 - 0 0 0 0 633 3.707 1.223 56.978 0 U 6.837E+03 0.000E+00 - 0 0 0 0 634 3.707 1.318 56.978 0 U 6.661E+03 0.000E+00 - 0 0 0 0 635 3.707 7.778 56.978 0 U 6.656E+03 0.000E+00 - 0 0 0 0 636 3.875 4.030 64.204 0 U 6.189E+03 0.000E+00 - 0 0 0 0 637 3.875 4.006 64.204 0 U 5.261E+03 0.000E+00 - 0 0 0 0 638 3.875 3.782 64.204 0 U 4.593E+03 0.000E+00 - 0 0 0 0 639 3.875 1.020 64.204 0 U 6.670E+03 0.000E+00 - 0 0 0 0 640 3.875 1.022 64.204 0 U 6.670E+03 0.000E+00 - 0 0 0 0 641 3.441 3.436 43.701 0 U 1.404E+04 0.000E+00 - 0 0 0 0 642 3.441 3.563 43.701 0 U 1.132E+04 0.000E+00 - 0 0 0 0 643 3.441 3.558 43.701 0 U 1.132E+04 0.000E+00 - 0 0 0 0 644 0.602 1.954 12.776 0 U 6.730E+03 0.000E+00 - 0 0 0 0 645 0.602 1.576 12.776 0 U 7.249E+03 0.000E+00 - 0 0 0 0 646 0.602 3.778 12.776 0 U 5.061E+03 0.000E+00 - 0 0 0 0 647 0.602 0.654 12.776 0 U 2.877E+05 0.000E+00 - 0 0 0 0 648 1.022 4.030 20.702 0 U 1.910E+04 0.000E+00 - 0 0 0 0 649 1.022 4.006 20.702 0 U 1.847E+04 0.000E+00 - 0 0 0 0 650 1.022 4.070 20.702 0 U 1.595E+04 0.000E+00 - 0 0 0 0 651 1.022 1.020 20.702 0 U 1.541E+05 0.000E+00 - 0 0 0 0 652 1.022 3.875 20.702 0 U 1.049E+04 0.000E+00 - 0 0 0 0 653 1.095 1.183 27.964 0 U 1.696E+04 0.000E+00 - 0 0 0 0 654 1.583 3.829 29.999 0 U 5.912E+03 0.000E+00 - 0 0 0 0 655 1.583 1.833 29.999 0 U 5.334E+03 0.000E+00 - 0 0 0 0 656 1.583 7.387 29.999 0 U 2.665E+03 0.000E+00 - 0 0 0 0 657 1.583 7.778 29.999 0 U 3.344E+03 0.000E+00 - 0 0 0 0 658 0.637 1.954 20.417 0 U 1.635E+04 0.000E+00 - 0 0 0 0 659 0.637 0.564 20.417 0 U 5.593E+04 0.000E+00 - 0 0 0 0 660 0.637 1.204 20.417 0 U 6.162E+03 0.000E+00 - 0 0 0 0 661 0.637 3.765 20.417 0 U 5.608E+03 0.000E+00 - 0 0 0 0 663 0.637 1.560 20.417 0 U 7.997E+03 0.000E+00 - 0 0 0 0 664 0.637 0.556 20.417 0 U 5.593E+04 0.000E+00 - 0 0 0 0 665 0.637 0.624 20.417 0 U 1.657E+05 0.000E+00 - 0 0 0 0 666 0.637 3.778 20.417 0 U 6.701E+03 0.000E+00 - 0 0 0 0 667 0.637 1.206 20.417 0 U 6.162E+03 0.000E+00 - 0 0 0 0 668 0.637 1.514 20.417 0 U 5.132E+03 0.000E+00 - 0 0 0 0 669 0.602 1.734 12.466 0 U 8.517E+03 0.000E+00 - 0 0 0 0 670 0.602 3.112 12.466 0 U 2.170E+03 0.000E+00 - 0 0 0 0 671 0.602 0.995 12.466 0 U 1.580E+04 0.000E+00 - 0 0 0 0 672 0.602 0.604 12.466 0 U 3.099E+05 0.000E+00 - 0 0 0 0 673 0.602 1.084 12.466 0 U 6.927E+03 0.000E+00 - 0 0 0 0 674 3.663 3.782 45.759 0 U 7.786E+03 0.000E+00 - 0 0 0 0 675 3.663 4.063 45.759 0 U 3.492E+03 0.000E+00 - 0 0 0 0 676 3.818 4.063 45.759 0 U 3.055E+03 0.000E+00 - 0 0 0 0 677 4.098 3.461 58.803 0 U 2.129E+03 0.000E+00 - 0 0 0 0 678 3.301 4.098 49.822 0 U 1.560E+03 0.000E+00 - 0 0 0 0 679 3.449 4.098 49.822 0 U 2.447E+03 0.000E+00 - 0 0 0 0 680 2.612 1.362 41.844 0 U 2.981E+04 0.000E+00 - 0 0 0 0 681 2.501 2.406 41.568 0 U 3.669E+04 0.000E+00 - 0 0 0 0 682 2.406 2.501 41.568 0 U 2.999E+04 0.000E+00 - 0 0 0 0 683 2.612 1.093 41.844 0 U 9.154E+03 0.000E+00 - 0 0 0 0 684 3.902 7.701 66.485 0 U 2.507E+03 0.000E+00 - 0 0 0 0 685 1.088 2.406 28.261 0 U 4.761E+03 0.000E+00 - 0 0 0 0 686 1.088 1.111 28.261 0 U 6.595E+04 0.000E+00 - 0 0 0 0 687 1.088 3.707 28.261 0 U 3.810E+03 0.000E+00 - 0 0 0 0 688 1.088 1.223 28.261 0 U 9.387E+03 0.000E+00 - 0 0 0 0 689 1.088 1.318 28.261 0 U 4.659E+03 0.000E+00 - 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 13.9518 ppm . . . 4.701 . . 30481 1 2 . . C 13 C-aliphatic . . 74.9999 ppm . . . 44.000 . . 30481 1 3 . . H 1 H . . 14.0000 ppm . . . 4.701 . . 30481 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 30481 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 1 _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 ; # Number of dimensions 3 # FORMAT xeasy3D # INAME 1 HN # INAME 2 H # INAME 3 N # SPECTRUM N15NOESY HN H N 677 8.353 3.959 117.822 0 U 7.130E+02 0.000E+00 - 0 0 0 0 678 8.353 1.401 117.822 0 U 1.453E+03 0.000E+00 - 0 0 0 0 679 8.353 1.311 117.822 0 U 2.025E+03 0.000E+00 - 0 0 0 0 680 8.353 0.657 117.822 0 U 1.401E+03 0.000E+00 - 0 0 0 0 681 8.353 3.402 117.822 0 U 9.720E+02 0.000E+00 - 0 0 0 0 682 8.353 3.833 117.822 0 U 1.215E+03 0.000E+00 - 0 0 0 0 683 8.353 1.758 117.822 0 U 9.160E+02 0.000E+00 - 0 0 0 0 684 8.353 0.649 117.822 0 U 1.401E+03 0.000E+00 - 0 0 0 0 685 8.353 7.654 117.822 0 U 1.255E+03 0.000E+00 - 0 0 0 0 686 8.353 0.600 117.822 0 U 3.228E+03 0.000E+00 - 0 0 0 0 687 8.353 3.789 117.822 0 U 9.120E+02 0.000E+00 - 0 0 0 0 688 8.353 7.709 117.822 0 U 8.330E+02 0.000E+00 - 0 0 0 0 689 7.791 3.959 122.831 0 U 2.296E+03 0.000E+00 - 0 0 0 0 690 7.791 3.385 122.831 0 U 1.977E+03 0.000E+00 - 0 0 0 0 691 7.791 0.657 122.831 0 U 6.910E+02 0.000E+00 - 0 0 0 0 692 7.791 8.512 122.831 0 U 1.108E+03 0.000E+00 - 0 0 0 0 693 7.791 3.402 122.831 0 U 1.977E+03 0.000E+00 - 0 0 0 0 694 7.791 0.649 122.831 0 U 6.910E+02 0.000E+00 - 0 0 0 0 695 7.791 7.654 122.831 0 U 2.058E+03 0.000E+00 - 0 0 0 0 696 7.791 0.600 122.831 0 U 1.349E+03 0.000E+00 - 0 0 0 0 697 7.791 4.014 122.831 0 U 2.296E+03 0.000E+00 - 0 0 0 0 698 7.791 1.598 122.831 0 U 6.050E+02 0.000E+00 - 0 0 0 0 699 7.791 0.513 122.831 0 U 8.080E+02 0.000E+00 - 0 0 0 0 700 7.791 7.709 122.831 0 U 3.776E+03 0.000E+00 - 0 0 0 0 701 7.791 3.789 122.831 0 U 1.388E+03 0.000E+00 - 0 0 0 0 702 7.791 3.098 122.831 0 U 1.372E+03 0.000E+00 - 0 0 0 0 703 7.628 0.556 122.773 0 U 1.237E+03 0.000E+00 - 0 0 0 0 704 7.628 3.828 122.773 0 U 1.008E+03 0.000E+00 - 0 0 0 0 705 7.628 0.654 122.773 0 U 1.060E+03 0.000E+00 - 0 0 0 0 706 7.628 1.183 122.773 0 U 3.837E+03 0.000E+00 - 0 0 0 0 707 7.628 1.576 122.773 0 U 6.090E+02 0.000E+00 - 0 0 0 0 708 7.628 1.514 122.773 0 U 6.090E+02 0.000E+00 - 0 0 0 0 709 7.628 3.289 122.773 0 U 5.920E+02 0.000E+00 - 0 0 0 0 710 7.628 3.765 122.773 0 U 2.107E+03 0.000E+00 - 0 0 0 0 711 7.628 3.558 122.773 0 U 8.110E+02 0.000E+00 - 0 0 0 0 712 7.628 3.436 122.773 0 U 9.870E+02 0.000E+00 - 0 0 0 0 713 7.628 8.564 122.773 0 U 6.980E+02 0.000E+00 - 0 0 0 0 714 7.628 0.624 122.773 0 U 1.237E+03 0.000E+00 - 0 0 0 0 715 7.628 7.177 122.773 0 U 1.295E+03 0.000E+00 - 0 0 0 0 716 7.628 0.564 122.773 0 U 1.237E+03 0.000E+00 - 0 0 0 0 717 7.628 1.204 122.773 0 U 2.498E+03 0.000E+00 - 0 0 0 0 718 7.628 7.739 122.773 0 U 1.021E+03 0.000E+00 - 0 0 0 0 719 7.628 1.560 122.773 0 U 6.090E+02 0.000E+00 - 0 0 0 0 720 7.628 0.602 122.773 0 U 1.237E+03 0.000E+00 - 0 0 0 0 721 7.628 3.778 122.773 0 U 2.107E+03 0.000E+00 - 0 0 0 0 722 7.628 8.083 122.773 0 U 6.190E+02 0.000E+00 - 0 0 0 0 723 7.871 3.782 106.600 0 U 1.872E+03 0.000E+00 - 0 0 0 0 724 7.871 0.724 106.600 0 U 5.460E+02 0.000E+00 - 0 0 0 0 725 7.871 7.425 106.600 0 U 9.440E+02 0.000E+00 - 0 0 0 0 726 7.871 1.669 106.600 0 U 1.108E+03 0.000E+00 - 0 0 0 0 727 7.871 4.030 106.600 0 U 7.820E+02 0.000E+00 - 0 0 0 0 728 7.871 3.875 106.600 0 U 1.658E+03 0.000E+00 - 0 0 0 0 729 7.871 3.818 106.600 0 U 1.872E+03 0.000E+00 - 0 0 0 0 730 7.871 3.663 106.600 0 U 1.151E+03 0.000E+00 - 0 0 0 0 731 7.871 1.020 106.600 0 U 1.859E+03 0.000E+00 - 0 0 0 0 732 7.871 7.997 106.600 0 U 3.270E+02 0.000E+00 - 0 0 0 0 733 7.871 8.292 106.600 0 U 1.003E+03 0.000E+00 - 0 0 0 0 734 7.871 3.281 106.600 0 U 5.500E+02 0.000E+00 - 0 0 0 0 735 7.871 1.022 106.600 0 U 1.859E+03 0.000E+00 - 0 0 0 0 736 7.871 3.671 106.600 0 U 1.151E+03 0.000E+00 - 0 0 0 0 737 7.871 4.006 106.600 0 U 1.236E+03 0.000E+00 - 0 0 0 0 738 7.871 0.536 106.600 0 U 1.076E+03 0.000E+00 - 0 0 0 0 739 7.871 1.594 106.600 0 U 1.108E+03 0.000E+00 - 0 0 0 0 740 7.425 3.782 113.319 0 U 1.508E+03 0.000E+00 - 0 0 0 0 741 7.425 0.774 113.319 0 U 5.350E+02 0.000E+00 - 0 0 0 0 742 7.425 0.724 113.319 0 U 4.470E+02 0.000E+00 - 0 0 0 0 743 7.425 7.871 113.319 0 U 1.641E+03 0.000E+00 - 0 0 0 0 744 7.425 4.030 113.319 0 U 2.677E+03 0.000E+00 - 0 0 0 0 745 7.425 0.621 113.319 0 U 5.450E+02 0.000E+00 - 0 0 0 0 746 7.425 3.818 113.319 0 U 1.508E+03 0.000E+00 - 0 0 0 0 747 7.425 3.663 113.319 0 U 1.155E+03 0.000E+00 - 0 0 0 0 748 7.425 7.578 113.319 0 U 4.790E+02 0.000E+00 - 0 0 0 0 749 7.425 4.070 113.319 0 U 2.677E+03 0.000E+00 - 0 0 0 0 750 7.425 4.098 113.319 0 U 2.677E+03 0.000E+00 - 0 0 0 0 751 7.425 0.675 113.319 0 U 4.470E+02 0.000E+00 - 0 0 0 0 752 7.425 1.020 113.319 0 U 1.894E+03 0.000E+00 - 0 0 0 0 753 7.425 7.997 113.319 0 U 1.322E+03 0.000E+00 - 0 0 0 0 754 7.425 3.281 113.319 0 U 6.380E+02 0.000E+00 - 0 0 0 0 755 7.425 1.022 113.319 0 U 1.894E+03 0.000E+00 - 0 0 0 0 756 7.425 4.006 113.319 0 U 3.208E+03 0.000E+00 - 0 0 0 0 757 7.425 0.536 113.319 0 U 5.670E+02 0.000E+00 - 0 0 0 0 758 7.425 1.594 113.319 0 U 5.110E+02 0.000E+00 - 0 0 0 0 759 9.741 0.602 127.346 0 U 6.500E+02 0.000E+00 - 0 0 0 0 760 9.741 3.402 127.346 0 U 5.340E+02 0.000E+00 - 0 0 0 0 761 8.512 1.594 119.903 0 U 1.214E+03 0.000E+00 - 0 0 0 0 762 8.512 7.791 119.903 0 U 5.430E+02 0.000E+00 - 0 0 0 0 763 8.512 3.112 119.903 0 U 1.581E+03 0.000E+00 - 0 0 0 0 764 8.512 1.294 119.903 0 U 5.450E+02 0.000E+00 - 0 0 0 0 765 8.512 0.602 119.903 0 U 3.091E+03 0.000E+00 - 0 0 0 0 766 8.512 3.385 119.903 0 U 8.270E+02 0.000E+00 - 0 0 0 0 767 8.512 1.084 119.903 0 U 3.490E+02 0.000E+00 - 0 0 0 0 768 8.512 3.402 119.903 0 U 8.270E+02 0.000E+00 - 0 0 0 0 769 8.512 8.129 119.903 0 U 9.590E+02 0.000E+00 - 0 0 0 0 770 8.512 1.374 119.903 0 U 7.030E+02 0.000E+00 - 0 0 0 0 771 8.512 1.734 119.903 0 U 1.756E+03 0.000E+00 - 0 0 0 0 772 8.512 0.600 119.903 0 U 3.091E+03 0.000E+00 - 0 0 0 0 773 8.512 4.014 119.903 0 U 9.910E+02 0.000E+00 - 0 0 0 0 774 8.512 0.604 119.903 0 U 3.091E+03 0.000E+00 - 0 0 0 0 775 8.512 3.829 119.903 0 U 7.900E+02 0.000E+00 - 0 0 0 0 776 8.512 1.598 119.903 0 U 1.214E+03 0.000E+00 - 0 0 0 0 777 8.512 0.995 119.903 0 U 8.620E+02 0.000E+00 - 0 0 0 0 778 8.512 3.789 119.903 0 U 4.680E+02 0.000E+00 - 0 0 0 0 779 8.512 3.098 119.903 0 U 1.581E+03 0.000E+00 - 0 0 0 0 780 8.129 1.594 117.253 0 U 2.823E+03 0.000E+00 - 0 0 0 0 781 8.129 1.361 117.253 0 U 2.313E+03 0.000E+00 - 0 0 0 0 782 8.129 3.112 117.253 0 U 7.920E+02 0.000E+00 - 0 0 0 0 783 8.129 1.583 117.253 0 U 2.823E+03 0.000E+00 - 0 0 0 0 784 8.129 1.294 117.253 0 U 1.845E+03 0.000E+00 - 0 0 0 0 785 8.129 0.602 117.253 0 U 2.284E+03 0.000E+00 - 0 0 0 0 786 8.129 1.084 117.253 0 U 1.137E+03 0.000E+00 - 0 0 0 0 787 8.129 8.512 117.253 0 U 9.240E+02 0.000E+00 - 0 0 0 0 788 8.129 3.402 117.253 0 U 6.970E+02 0.000E+00 - 0 0 0 0 789 8.129 1.374 117.253 0 U 2.313E+03 0.000E+00 - 0 0 0 0 790 8.129 1.400 117.253 0 U 2.005E+03 0.000E+00 - 0 0 0 0 791 8.129 1.734 117.253 0 U 1.408E+03 0.000E+00 - 0 0 0 0 792 8.129 0.604 117.253 0 U 2.284E+03 0.000E+00 - 0 0 0 0 793 8.129 3.829 117.253 0 U 6.420E+02 0.000E+00 - 0 0 0 0 794 8.129 3.642 117.253 0 U 1.001E+03 0.000E+00 - 0 0 0 0 795 8.129 3.098 117.253 0 U 7.920E+02 0.000E+00 - 0 0 0 0 796 7.387 1.583 117.539 0 U 2.482E+03 0.000E+00 - 0 0 0 0 797 7.387 1.294 117.539 0 U 1.599E+03 0.000E+00 - 0 0 0 0 798 7.387 1.374 117.539 0 U 1.864E+03 0.000E+00 - 0 0 0 0 799 7.387 1.400 117.539 0 U 1.985E+03 0.000E+00 - 0 0 0 0 800 7.387 3.829 117.539 0 U 1.199E+03 0.000E+00 - 0 0 0 0 801 7.387 3.642 117.539 0 U 1.367E+03 0.000E+00 - 0 0 0 0 802 7.387 7.802 117.539 0 U 7.050E+02 0.000E+00 - 0 0 0 0 803 7.578 0.556 120.557 0 U 2.346E+03 0.000E+00 - 0 0 0 0 804 7.578 1.206 120.557 0 U 8.090E+02 0.000E+00 - 0 0 0 0 805 7.578 1.514 120.557 0 U 1.391E+03 0.000E+00 - 0 0 0 0 806 7.578 1.669 120.557 0 U 2.130E+03 0.000E+00 - 0 0 0 0 807 7.578 1.362 120.557 0 U 4.890E+02 0.000E+00 - 0 0 0 0 808 7.578 3.289 120.557 0 U 2.470E+03 0.000E+00 - 0 0 0 0 809 7.578 3.765 120.557 0 U 1.107E+03 0.000E+00 - 0 0 0 0 810 7.578 0.564 120.557 0 U 2.346E+03 0.000E+00 - 0 0 0 0 811 7.578 8.292 120.557 0 U 1.296E+03 0.000E+00 - 0 0 0 0 812 7.578 7.739 120.557 0 U 1.433E+03 0.000E+00 - 0 0 0 0 813 7.578 3.671 120.557 0 U 1.293E+03 0.000E+00 - 0 0 0 0 814 7.578 2.017 120.557 0 U 2.694E+03 0.000E+00 - 0 0 0 0 815 7.613 3.922 125.125 0 U 3.988E+03 0.000E+00 - 0 0 0 0 816 7.613 1.639 125.125 0 U 1.723E+03 0.000E+00 - 0 0 0 0 817 7.613 1.873 125.125 0 U 1.767E+03 0.000E+00 - 0 0 0 0 818 7.613 2.019 125.125 0 U 1.904E+03 0.000E+00 - 0 0 0 0 819 7.613 3.983 125.125 0 U 3.988E+03 0.000E+00 - 0 0 0 0 820 7.613 2.091 125.125 0 U 1.270E+03 0.000E+00 - 0 0 0 0 821 7.613 1.778 125.125 0 U 2.150E+03 0.000E+00 - 0 0 0 0 822 7.613 3.829 125.125 0 U 4.144E+03 0.000E+00 - 0 0 0 0 823 7.613 7.607 125.125 0 U 1.739E+04 0.000E+00 - 0 0 0 0 824 7.613 3.865 125.125 0 U 4.144E+03 0.000E+00 - 0 0 0 0 825 7.654 8.353 120.972 0 U 8.010E+02 0.000E+00 - 0 0 0 0 826 7.654 3.959 120.972 0 U 1.848E+03 0.000E+00 - 0 0 0 0 827 7.654 7.791 120.972 0 U 5.980E+02 0.000E+00 - 0 0 0 0 828 7.654 1.401 120.972 0 U 1.304E+03 0.000E+00 - 0 0 0 0 829 7.654 1.311 120.972 0 U 2.521E+03 0.000E+00 - 0 0 0 0 830 7.654 1.605 120.972 0 U 1.096E+03 0.000E+00 - 0 0 0 0 831 7.654 3.385 120.972 0 U 6.860E+02 0.000E+00 - 0 0 0 0 832 7.654 0.657 120.972 0 U 1.174E+03 0.000E+00 - 0 0 0 0 833 7.654 3.902 120.972 0 U 2.261E+03 0.000E+00 - 0 0 0 0 834 7.654 3.833 120.972 0 U 2.261E+03 0.000E+00 - 0 0 0 0 835 7.654 1.758 120.972 0 U 1.654E+03 0.000E+00 - 0 0 0 0 836 7.654 0.649 120.972 0 U 1.174E+03 0.000E+00 - 0 0 0 0 837 7.654 0.600 120.972 0 U 2.777E+03 0.000E+00 - 0 0 0 0 838 7.654 1.598 120.972 0 U 1.096E+03 0.000E+00 - 0 0 0 0 839 7.654 0.513 120.972 0 U 1.846E+03 0.000E+00 - 0 0 0 0 840 7.654 7.709 120.972 0 U 2.083E+03 0.000E+00 - 0 0 0 0 841 7.654 7.131 120.972 0 U 1.176E+03 0.000E+00 - 0 0 0 0 842 7.654 1.210 120.972 0 U 2.783E+03 0.000E+00 - 0 0 0 0 843 7.654 3.871 120.972 0 U 2.261E+03 0.000E+00 - 0 0 0 0 844 7.654 1.529 120.972 0 U 5.760E+02 0.000E+00 - 0 0 0 0 845 7.654 3.449 120.972 0 U 6.860E+02 0.000E+00 - 0 0 0 0 846 7.654 3.789 120.972 0 U 1.365E+03 0.000E+00 - 0 0 0 0 847 7.654 3.301 120.972 0 U 6.630E+02 0.000E+00 - 0 0 0 0 848 8.564 0.654 109.085 0 U 8.140E+02 0.000E+00 - 0 0 0 0 849 8.564 7.628 109.085 0 U 5.010E+02 0.000E+00 - 0 0 0 0 850 8.564 1.183 109.085 0 U 8.200E+02 0.000E+00 - 0 0 0 0 851 8.564 1.576 109.085 0 U 4.720E+02 0.000E+00 - 0 0 0 0 852 8.564 3.558 109.085 0 U 1.432E+03 0.000E+00 - 0 0 0 0 853 8.564 3.436 109.085 0 U 2.125E+03 0.000E+00 - 0 0 0 0 854 8.564 0.637 109.085 0 U 1.183E+03 0.000E+00 - 0 0 0 0 855 8.564 0.624 109.085 0 U 1.183E+03 0.000E+00 - 0 0 0 0 856 8.564 1.204 109.085 0 U 8.750E+02 0.000E+00 - 0 0 0 0 857 8.564 0.602 109.085 0 U 1.183E+03 0.000E+00 - 0 0 0 0 858 8.564 3.778 109.085 0 U 7.160E+02 0.000E+00 - 0 0 0 0 859 8.109 1.605 121.397 0 U 1.057E+03 0.000E+00 - 0 0 0 0 860 8.109 0.621 121.397 0 U 1.868E+03 0.000E+00 - 0 0 0 0 861 8.109 3.818 121.397 0 U 2.065E+03 0.000E+00 - 0 0 0 0 862 8.109 1.758 121.397 0 U 8.010E+02 0.000E+00 - 0 0 0 0 863 8.109 3.663 121.397 0 U 1.619E+03 0.000E+00 - 0 0 0 0 864 8.109 1.442 121.397 0 U 3.493E+03 0.000E+00 - 0 0 0 0 865 8.109 1.515 121.397 0 U 2.221E+03 0.000E+00 - 0 0 0 0 866 8.109 1.413 121.397 0 U 3.493E+03 0.000E+00 - 0 0 0 0 867 8.109 2.025 121.397 0 U 6.660E+02 0.000E+00 - 0 0 0 0 868 8.109 4.098 121.397 0 U 1.711E+03 0.000E+00 - 0 0 0 0 869 8.109 0.675 121.397 0 U 1.247E+03 0.000E+00 - 0 0 0 0 870 8.109 7.997 121.397 0 U 3.257E+03 0.000E+00 - 0 0 0 0 871 8.109 1.529 121.397 0 U 2.221E+03 0.000E+00 - 0 0 0 0 872 8.109 4.006 121.397 0 U 1.419E+03 0.000E+00 - 0 0 0 0 873 8.109 3.449 121.397 0 U 1.805E+03 0.000E+00 - 0 0 0 0 874 8.109 3.301 121.397 0 U 1.863E+03 0.000E+00 - 0 0 0 0 875 7.997 3.782 109.013 0 U 2.561E+03 0.000E+00 - 0 0 0 0 876 7.997 7.871 109.013 0 U 2.741E+03 0.000E+00 - 0 0 0 0 877 7.997 7.425 109.013 0 U 8.100E+02 0.000E+00 - 0 0 0 0 878 7.997 4.030 109.013 0 U 1.533E+03 0.000E+00 - 0 0 0 0 879 7.997 0.621 109.013 0 U 1.102E+03 0.000E+00 - 0 0 0 0 880 7.997 3.818 109.013 0 U 2.561E+03 0.000E+00 - 0 0 0 0 881 7.997 3.663 109.013 0 U 2.424E+03 0.000E+00 - 0 0 0 0 882 7.997 1.442 109.013 0 U 6.510E+02 0.000E+00 - 0 0 0 0 883 7.997 1.515 109.013 0 U 5.260E+02 0.000E+00 - 0 0 0 0 884 7.997 1.413 109.013 0 U 6.510E+02 0.000E+00 - 0 0 0 0 885 7.997 4.098 109.013 0 U 1.533E+03 0.000E+00 - 0 0 0 0 886 7.997 0.675 109.013 0 U 6.970E+02 0.000E+00 - 0 0 0 0 887 7.997 8.109 109.013 0 U 7.590E+02 0.000E+00 - 0 0 0 0 888 7.997 1.020 109.013 0 U 4.720E+02 0.000E+00 - 0 0 0 0 889 7.997 1.022 109.013 0 U 4.720E+02 0.000E+00 - 0 0 0 0 890 7.997 1.210 109.013 0 U 5.280E+02 0.000E+00 - 0 0 0 0 891 7.997 4.006 109.013 0 U 1.910E+03 0.000E+00 - 0 0 0 0 892 7.997 0.536 109.013 0 U 5.240E+02 0.000E+00 - 0 0 0 0 893 7.997 3.449 109.013 0 U 5.000E+02 0.000E+00 - 0 0 0 0 894 7.997 3.301 109.013 0 U 6.430E+02 0.000E+00 - 0 0 0 0 895 7.177 0.774 117.444 0 U 1.745E+03 0.000E+00 - 0 0 0 0 896 7.177 0.556 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 897 7.177 3.828 117.444 0 U 3.960E+02 0.000E+00 - 0 0 0 0 898 7.177 0.654 117.444 0 U 4.498E+03 0.000E+00 - 0 0 0 0 899 7.177 0.724 117.444 0 U 4.498E+03 0.000E+00 - 0 0 0 0 900 7.177 7.628 117.444 0 U 1.161E+03 0.000E+00 - 0 0 0 0 901 7.177 1.183 117.444 0 U 2.093E+03 0.000E+00 - 0 0 0 0 902 7.177 1.576 117.444 0 U 6.640E+02 0.000E+00 - 0 0 0 0 903 7.177 1.514 117.444 0 U 6.640E+02 0.000E+00 - 0 0 0 0 904 7.177 3.289 117.444 0 U 1.779E+03 0.000E+00 - 0 0 0 0 905 7.177 3.765 117.444 0 U 1.593E+03 0.000E+00 - 0 0 0 0 906 7.177 3.558 117.444 0 U 6.960E+02 0.000E+00 - 0 0 0 0 907 7.177 3.436 117.444 0 U 8.130E+02 0.000E+00 - 0 0 0 0 908 7.177 0.637 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 909 7.177 0.624 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 910 7.177 0.564 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 911 7.177 1.204 117.444 0 U 1.312E+03 0.000E+00 - 0 0 0 0 912 7.177 1.560 117.444 0 U 6.640E+02 0.000E+00 - 0 0 0 0 913 7.177 0.602 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 914 7.177 3.778 117.444 0 U 1.593E+03 0.000E+00 - 0 0 0 0 915 7.177 1.954 117.444 0 U 1.742E+03 0.000E+00 - 0 0 0 0 916 7.177 8.083 117.444 0 U 1.043E+03 0.000E+00 - 0 0 0 0 917 7.607 3.922 124.767 0 U 6.359E+03 0.000E+00 - 0 0 0 0 918 7.607 1.639 124.767 0 U 3.124E+03 0.000E+00 - 0 0 0 0 919 7.607 2.019 124.767 0 U 2.588E+03 0.000E+00 - 0 0 0 0 920 7.607 3.983 124.767 0 U 6.359E+03 0.000E+00 - 0 0 0 0 921 7.607 2.091 124.767 0 U 1.354E+03 0.000E+00 - 0 0 0 0 922 7.607 7.613 124.767 0 U 2.672E+04 0.000E+00 - 0 0 0 0 923 7.607 1.400 124.767 0 U 1.121E+03 0.000E+00 - 0 0 0 0 924 7.607 1.778 124.767 0 U 3.034E+03 0.000E+00 - 0 0 0 0 925 7.607 3.829 124.767 0 U 6.968E+03 0.000E+00 - 0 0 0 0 926 7.607 1.223 124.767 0 U 1.246E+03 0.000E+00 - 0 0 0 0 927 7.607 1.833 124.767 0 U 3.034E+03 0.000E+00 - 0 0 0 0 928 7.607 3.865 124.767 0 U 6.968E+03 0.000E+00 - 0 0 0 0 929 7.607 1.390 124.767 0 U 1.121E+03 0.000E+00 - 0 0 0 0 930 7.607 1.292 124.767 0 U 1.246E+03 0.000E+00 - 0 0 0 0 931 8.292 3.782 118.727 0 U 2.140E+03 0.000E+00 - 0 0 0 0 932 8.292 0.774 118.727 0 U 1.045E+03 0.000E+00 - 0 0 0 0 933 8.292 0.556 118.727 0 U 2.551E+03 0.000E+00 - 0 0 0 0 934 8.292 1.206 118.727 0 U 1.442E+03 0.000E+00 - 0 0 0 0 935 8.292 0.724 118.727 0 U 1.671E+03 0.000E+00 - 0 0 0 0 936 8.292 1.235 118.727 0 U 1.442E+03 0.000E+00 - 0 0 0 0 937 8.292 1.514 118.727 0 U 2.804E+03 0.000E+00 - 0 0 0 0 938 8.292 7.871 118.727 0 U 5.090E+02 0.000E+00 - 0 0 0 0 939 8.292 1.669 118.727 0 U 2.111E+03 0.000E+00 - 0 0 0 0 940 8.292 1.362 118.727 0 U 4.330E+02 0.000E+00 - 0 0 0 0 941 8.292 1.585 118.727 0 U 2.111E+03 0.000E+00 - 0 0 0 0 942 8.292 3.765 118.727 0 U 2.140E+03 0.000E+00 - 0 0 0 0 943 8.292 7.578 118.727 0 U 2.620E+02 0.000E+00 - 0 0 0 0 944 8.292 0.564 118.727 0 U 2.551E+03 0.000E+00 - 0 0 0 0 945 8.292 3.281 118.727 0 U 9.550E+02 0.000E+00 - 0 0 0 0 946 8.292 3.671 118.727 0 U 1.656E+03 0.000E+00 - 0 0 0 0 947 8.292 0.536 118.727 0 U 2.586E+03 0.000E+00 - 0 0 0 0 948 8.292 2.017 118.727 0 U 9.250E+02 0.000E+00 - 0 0 0 0 949 8.292 1.594 118.727 0 U 2.111E+03 0.000E+00 - 0 0 0 0 950 7.778 3.922 118.211 0 U 1.086E+03 0.000E+00 - 0 0 0 0 951 7.778 3.707 118.211 0 U 1.492E+03 0.000E+00 - 0 0 0 0 952 7.778 1.400 118.211 0 U 2.352E+03 0.000E+00 - 0 0 0 0 953 7.778 2.812 118.211 0 U 8.300E+02 0.000E+00 - 0 0 0 0 954 7.778 3.829 118.211 0 U 1.610E+03 0.000E+00 - 0 0 0 0 955 7.778 1.223 118.211 0 U 1.875E+03 0.000E+00 - 0 0 0 0 956 7.778 3.865 118.211 0 U 1.610E+03 0.000E+00 - 0 0 0 0 957 7.778 3.642 118.211 0 U 1.492E+03 0.000E+00 - 0 0 0 0 958 7.778 7.802 118.211 0 U 2.771E+03 0.000E+00 - 0 0 0 0 959 7.778 1.390 118.211 0 U 2.352E+03 0.000E+00 - 0 0 0 0 960 7.778 1.292 118.211 0 U 1.875E+03 0.000E+00 - 0 0 0 0 961 7.709 8.353 112.919 0 U 9.140E+02 0.000E+00 - 0 0 0 0 962 7.709 3.959 112.919 0 U 7.560E+02 0.000E+00 - 0 0 0 0 963 7.709 7.791 112.919 0 U 1.645E+03 0.000E+00 - 0 0 0 0 964 7.709 1.401 112.919 0 U 8.630E+02 0.000E+00 - 0 0 0 0 965 7.709 1.311 112.919 0 U 1.082E+03 0.000E+00 - 0 0 0 0 966 7.709 3.385 112.919 0 U 8.660E+02 0.000E+00 - 0 0 0 0 967 7.709 3.402 112.919 0 U 8.660E+02 0.000E+00 - 0 0 0 0 968 7.709 3.833 112.919 0 U 2.809E+03 0.000E+00 - 0 0 0 0 969 7.709 1.758 112.919 0 U 6.470E+02 0.000E+00 - 0 0 0 0 970 7.709 7.654 112.919 0 U 4.182E+03 0.000E+00 - 0 0 0 0 971 7.709 0.600 112.919 0 U 2.240E+03 0.000E+00 - 0 0 0 0 972 7.709 3.789 112.919 0 U 4.313E+03 0.000E+00 - 0 0 0 0 973 7.709 1.598 112.919 0 U 1.384E+03 0.000E+00 - 0 0 0 0 974 7.709 0.513 112.919 0 U 1.492E+03 0.000E+00 - 0 0 0 0 975 7.709 1.210 112.919 0 U 9.700E+02 0.000E+00 - 0 0 0 0 976 7.709 3.871 112.919 0 U 2.809E+03 0.000E+00 - 0 0 0 0 977 7.131 3.959 118.587 0 U 1.099E+03 0.000E+00 - 0 0 0 0 978 7.131 1.311 118.587 0 U 1.166E+03 0.000E+00 - 0 0 0 0 979 7.131 1.605 118.587 0 U 8.920E+02 0.000E+00 - 0 0 0 0 980 7.131 0.621 118.587 0 U 5.920E+02 0.000E+00 - 0 0 0 0 981 7.131 3.818 118.587 0 U 2.165E+03 0.000E+00 - 0 0 0 0 982 7.131 1.442 118.587 0 U 1.443E+03 0.000E+00 - 0 0 0 0 983 7.131 1.515 118.587 0 U 1.574E+03 0.000E+00 - 0 0 0 0 984 7.131 7.654 118.587 0 U 9.910E+02 0.000E+00 - 0 0 0 0 985 7.131 1.413 118.587 0 U 1.443E+03 0.000E+00 - 0 0 0 0 986 7.131 2.025 118.587 0 U 8.890E+02 0.000E+00 - 0 0 0 0 987 7.131 1.598 118.587 0 U 8.920E+02 0.000E+00 - 0 0 0 0 988 7.131 1.210 118.587 0 U 2.817E+03 0.000E+00 - 0 0 0 0 989 7.131 3.871 118.587 0 U 2.700E+03 0.000E+00 - 0 0 0 0 990 7.131 1.529 118.587 0 U 1.574E+03 0.000E+00 - 0 0 0 0 991 7.131 3.449 118.587 0 U 7.110E+02 0.000E+00 - 0 0 0 0 992 7.131 3.301 118.587 0 U 7.660E+02 0.000E+00 - 0 0 0 0 993 7.739 0.536 119.790 0 U 8.220E+02 0.000E+00 - 0 0 0 0 994 7.739 0.556 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 995 7.739 1.206 119.790 0 U 1.684E+03 0.000E+00 - 0 0 0 0 996 7.739 3.828 119.790 0 U 6.030E+02 0.000E+00 - 0 0 0 0 997 7.739 0.724 119.790 0 U 8.620E+02 0.000E+00 - 0 0 0 0 999 7.739 1.514 119.790 0 U 2.623E+03 0.000E+00 - 0 0 0 0 1000 7.739 1.669 119.790 0 U 4.003E+03 0.000E+00 - 0 0 0 0 1001 7.739 1.362 119.790 0 U 7.180E+02 0.000E+00 - 0 0 0 0 1002 7.739 3.289 119.790 0 U 5.990E+02 0.000E+00 - 0 0 0 0 1003 7.739 7.578 119.790 0 U 4.515E+03 0.000E+00 - 0 0 0 0 1004 7.739 1.093 119.790 0 U 1.395E+03 0.000E+00 - 0 0 0 0 1005 7.739 0.637 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 1006 7.739 0.624 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 1007 7.739 0.564 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 1008 7.739 1.204 119.790 0 U 1.684E+03 0.000E+00 - 0 0 0 0 1009 7.739 3.281 119.790 0 U 5.990E+02 0.000E+00 - 0 0 0 0 1010 7.739 3.671 119.790 0 U 2.073E+03 0.000E+00 - 0 0 0 0 1011 7.739 1.560 119.790 0 U 2.623E+03 0.000E+00 - 0 0 0 0 1012 7.739 3.778 119.790 0 U 1.642E+03 0.000E+00 - 0 0 0 0 1013 7.739 8.083 119.790 0 U 1.105E+03 0.000E+00 - 0 0 0 0 1014 7.802 1.318 119.511 0 U 1.853E+03 0.000E+00 - 0 0 0 0 1015 7.802 1.583 119.511 0 U 1.369E+03 0.000E+00 - 0 0 0 0 1016 7.802 1.294 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 1017 7.802 7.387 119.511 0 U 7.170E+02 0.000E+00 - 0 0 0 0 1018 7.802 3.707 119.511 0 U 1.444E+03 0.000E+00 - 0 0 0 0 1019 7.802 1.374 119.511 0 U 1.853E+03 0.000E+00 - 0 0 0 0 1020 7.802 1.400 119.511 0 U 1.056E+03 0.000E+00 - 0 0 0 0 1022 7.802 3.829 119.511 0 U 1.183E+03 0.000E+00 - 0 0 0 0 1023 7.802 1.223 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 1024 7.802 7.778 119.511 0 U 2.853E+03 0.000E+00 - 0 0 0 0 1025 7.802 1.221 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 1026 7.802 3.865 119.511 0 U 1.183E+03 0.000E+00 - 0 0 0 0 1027 7.802 3.642 119.511 0 U 1.444E+03 0.000E+00 - 0 0 0 0 1028 7.802 1.292 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 1029 7.802 1.095 119.511 0 U 7.630E+02 0.000E+00 - 0 0 0 0 1030 8.083 0.774 117.746 0 U 6.170E+02 0.000E+00 - 0 0 0 0 1031 8.083 0.556 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 1032 8.083 1.206 117.746 0 U 1.491E+03 0.000E+00 - 0 0 0 0 1033 8.083 3.828 117.746 0 U 6.010E+02 0.000E+00 - 0 0 0 0 1034 8.083 0.724 117.746 0 U 2.029E+03 0.000E+00 - 0 0 0 0 1035 8.083 7.628 117.746 0 U 9.620E+02 0.000E+00 - 0 0 0 0 1036 8.083 1.514 117.746 0 U 4.103E+03 0.000E+00 - 0 0 0 0 1037 8.083 3.289 117.746 0 U 1.036E+03 0.000E+00 - 0 0 0 0 1038 8.083 3.765 117.746 0 U 1.978E+03 0.000E+00 - 0 0 0 0 1039 8.083 3.558 117.746 0 U 1.090E+03 0.000E+00 - 0 0 0 0 1040 8.083 3.436 117.746 0 U 1.066E+03 0.000E+00 - 0 0 0 0 1041 8.083 0.637 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 1042 8.083 0.624 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 1043 8.083 7.177 117.746 0 U 1.112E+03 0.000E+00 - 0 0 0 0 1044 8.083 0.564 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 1045 8.083 1.204 117.746 0 U 1.491E+03 0.000E+00 - 0 0 0 0 1046 8.083 3.281 117.746 0 U 1.036E+03 0.000E+00 - 0 0 0 0 1047 8.083 7.739 117.746 0 U 1.158E+03 0.000E+00 - 0 0 0 0 1048 8.083 1.560 117.746 0 U 4.103E+03 0.000E+00 - 0 0 0 0 1049 8.083 1.954 117.746 0 U 1.139E+03 0.000E+00 - 0 0 0 0 1050 7.131 3.663 118.587 0 U 6.690E+02 0.000E+00 - 0 0 0 0 1051 7.356 7.356 111.402 0 U 3.293E+04 0.000E+00 - 0 0 0 0 1052 7.356 6.544 111.402 0 U 1.160E+04 0.000E+00 - 0 0 0 0 1053 7.356 2.091 111.402 0 U 1.184E+02 0.000E+00 - 0 0 0 0 1054 6.544 6.544 111.402 0 U 7.561E+04 0.000E+00 - 0 0 0 0 1055 6.544 7.356 111.402 0 U 1.501E+04 0.000E+00 - 0 0 0 0 1056 7.307 7.307 111.268 0 U 3.201E+04 0.000E+00 - 0 0 0 0 1057 7.307 6.547 111.268 0 U 5.172E+03 0.000E+00 - 0 0 0 0 1058 6.547 7.307 111.268 0 U 1.501E+04 0.000E+00 - 0 0 0 0 1059 6.547 6.547 111.268 0 U 3.507E+04 0.000E+00 - 0 0 0 0 1060 7.701 3.902 112.919 0 U 2.809E+03 0.000E+00 - 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 11.9855 ppm . . . 4.671 . . 30481 2 2 . . N 15 N . folded 32.0000 ppm . . . 118.030 . . 30481 2 3 . . H 1 H . . 12.0000 ppm . . . 4.671 . . 30481 2 stop_ save_