data_34865 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34865 _Entry.Title ; Folded alpha helical de novo proteins from Apilactobacillus kunkeei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-09-27 _Entry.Accession_date 2023-09-27 _Entry.Last_release_date 2023-12-15 _Entry.Original_release_date 2023-12-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Celestine C. . . . 34865 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'UNKNOWN FUNCTION' . 34865 'proteins from Apilactobacillus kunkeei' . 34865 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34865 spectral_peak_list 1 34865 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 96 34865 '15N chemical shifts' 45 34865 '1H chemical shifts' 262 34865 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 2 . . 2024-03-14 2023-09-27 update BMRB 'update entry citation' 34865 1 . . 2024-02-14 2023-09-27 original author 'original release' 34865 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8QNT 'BMRB Entry Tracking System' 34865 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34865 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38355092 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Folded Alpha Helical Putative New Proteins from Apilactobacillus kunkeei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 436 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 168490 _Citation.Page_last 168490 _Citation.Year 2024 _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 Weihua Ye W. . . . 34865 1 2 'Phani Rama' 'Krishna Behra' P. R. . . 34865 1 3 Karl Dyrhage K. . . . 34865 1 4 Christian Seeger C. . . . 34865 1 5 Joe Joiner J. D. . . 34865 1 6 Elin Karlsson E. . . . 34865 1 7 Eva Andersson E. . . . 34865 1 8 Celestine Chi C. N. . . 34865 1 9 Siv Andersson . . . . 34865 1 10 Per Jemth P. . . . 34865 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34865 _Assembly.ID 1 _Assembly.Name Transposase _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34865 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34865 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMKNYQPNKDLLEILESQK IKIKNLKEEVKILQRKIDQQ IAKERVIKQ ; _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 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5860.950 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34865 1 2 . SER . 34865 1 3 . MET . 34865 1 4 . LYS . 34865 1 5 . ASN . 34865 1 6 . TYR . 34865 1 7 . GLN . 34865 1 8 . PRO . 34865 1 9 . ASN . 34865 1 10 . LYS . 34865 1 11 . ASP . 34865 1 12 . LEU . 34865 1 13 . LEU . 34865 1 14 . GLU . 34865 1 15 . ILE . 34865 1 16 . LEU . 34865 1 17 . GLU . 34865 1 18 . SER . 34865 1 19 . GLN . 34865 1 20 . LYS . 34865 1 21 . ILE . 34865 1 22 . LYS . 34865 1 23 . ILE . 34865 1 24 . LYS . 34865 1 25 . ASN . 34865 1 26 . LEU . 34865 1 27 . LYS . 34865 1 28 . GLU . 34865 1 29 . GLU . 34865 1 30 . VAL . 34865 1 31 . LYS . 34865 1 32 . ILE . 34865 1 33 . LEU . 34865 1 34 . GLN . 34865 1 35 . ARG . 34865 1 36 . LYS . 34865 1 37 . ILE . 34865 1 38 . ASP . 34865 1 39 . GLN . 34865 1 40 . GLN . 34865 1 41 . ILE . 34865 1 42 . ALA . 34865 1 43 . LYS . 34865 1 44 . GLU . 34865 1 45 . ARG . 34865 1 46 . VAL . 34865 1 47 . ILE . 34865 1 48 . LYS . 34865 1 49 . GLN . 34865 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 34865 1 . SER 2 2 34865 1 . MET 3 3 34865 1 . LYS 4 4 34865 1 . ASN 5 5 34865 1 . TYR 6 6 34865 1 . GLN 7 7 34865 1 . PRO 8 8 34865 1 . ASN 9 9 34865 1 . LYS 10 10 34865 1 . ASP 11 11 34865 1 . LEU 12 12 34865 1 . LEU 13 13 34865 1 . GLU 14 14 34865 1 . ILE 15 15 34865 1 . LEU 16 16 34865 1 . GLU 17 17 34865 1 . SER 18 18 34865 1 . GLN 19 19 34865 1 . LYS 20 20 34865 1 . ILE 21 21 34865 1 . LYS 22 22 34865 1 . ILE 23 23 34865 1 . LYS 24 24 34865 1 . ASN 25 25 34865 1 . LEU 26 26 34865 1 . LYS 27 27 34865 1 . GLU 28 28 34865 1 . GLU 29 29 34865 1 . VAL 30 30 34865 1 . LYS 31 31 34865 1 . ILE 32 32 34865 1 . LEU 33 33 34865 1 . GLN 34 34 34865 1 . ARG 35 35 34865 1 . LYS 36 36 34865 1 . ILE 37 37 34865 1 . ASP 38 38 34865 1 . GLN 39 39 34865 1 . GLN 40 40 34865 1 . ILE 41 41 34865 1 . ALA 42 42 34865 1 . LYS 43 43 34865 1 . GLU 44 44 34865 1 . ARG 45 45 34865 1 . VAL 46 46 34865 1 . ILE 47 47 34865 1 . LYS 48 48 34865 1 . GLN 49 49 34865 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 34865 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . FF306_00177 . 34865 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 34865 _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 . . . . . . . . . . 34865 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34865 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 uM [U-99% 13C; U-99% 15N] Orphan7, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Orphan7 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 34865 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34865 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 34865 1 pH 6.5 . pH 34865 1 pressure 1 . atm 34865 1 temperature 298 . K 34865 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34865 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34865 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34865 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34865 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34865 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34865 2 'structure calculation' . 34865 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34865 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34865 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34865 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 34865 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 34865 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 600 . . . 34865 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 34865 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34865 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34865 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34865 1 4 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34865 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34865 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34865 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34865 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 34865 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 4.7 na indirect 0.25144953 . . . . . 34865 1 H 1 DSS 'methyl protons' . . . . ppm 4.7 na direct 1.0 . . . . . 34865 1 N 15 DSS 'methyl protons' . . . . ppm 117 na indirect 0.25144953 . . . . . 34865 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 34865 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34865 1 2 '2D 1H-13C HSQC' . . . 34865 1 3 '3D HNCACB' . . . 34865 1 4 '3D HN(COCA)CB' . . . 34865 1 5 '3D 1H-15N TOCSY' . . . 34865 1 6 '3D 1H-13C NOESY' . . . 34865 1 7 '3D 1H-15N NOESY' . . . 34865 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER CA C 13 55.599 0.000 . . . . . . A 2 SER CA . 34865 1 2 . 1 . 1 2 2 SER CB C 13 61.238 0.000 . . . . . . A 2 SER CB . 34865 1 3 . 1 . 1 3 3 MET H H 1 8.505 0.003 . . . . . . A 3 MET H . 34865 1 4 . 1 . 1 3 3 MET HA H 1 4.438 0.014 . . . . . . A 3 MET HA . 34865 1 5 . 1 . 1 3 3 MET HB2 H 1 1.966 0.000 . . . . . . A 3 MET HB2 . 34865 1 6 . 1 . 1 3 3 MET CA C 13 52.751 0.009 . . . . . . A 3 MET CA . 34865 1 7 . 1 . 1 3 3 MET CB C 13 30.114 0.000 . . . . . . A 3 MET CB . 34865 1 8 . 1 . 1 3 3 MET N N 15 122.677 0.078 . . . . . . A 3 MET N . 34865 1 9 . 1 . 1 4 4 LYS H H 1 8.295 0.004 . . . . . . A 4 LYS H . 34865 1 10 . 1 . 1 4 4 LYS HA H 1 4.187 0.007 . . . . . . A 4 LYS HA . 34865 1 11 . 1 . 1 4 4 LYS HB2 H 1 1.639 0.007 . . . . . . A 4 LYS HB2 . 34865 1 12 . 1 . 1 4 4 LYS HB3 H 1 1.320 0.000 . . . . . . A 4 LYS HB3 . 34865 1 13 . 1 . 1 4 4 LYS CA C 13 53.790 0.004 . . . . . . A 4 LYS CA . 34865 1 14 . 1 . 1 4 4 LYS CB C 13 30.183 0.008 . . . . . . A 4 LYS CB . 34865 1 15 . 1 . 1 4 4 LYS N N 15 122.640 0.057 . . . . . . A 4 LYS N . 34865 1 16 . 1 . 1 5 5 ASN H H 1 8.315 0.005 . . . . . . A 5 ASN H . 34865 1 17 . 1 . 1 5 5 ASN HA H 1 4.598 0.019 . . . . . . A 5 ASN HA . 34865 1 18 . 1 . 1 5 5 ASN HB2 H 1 2.635 0.000 . . . . . . A 5 ASN HB2 . 34865 1 19 . 1 . 1 5 5 ASN HB3 H 1 2.753 0.000 . . . . . . A 5 ASN HB3 . 34865 1 20 . 1 . 1 5 5 ASN CA C 13 50.413 0.008 . . . . . . A 5 ASN CA . 34865 1 21 . 1 . 1 5 5 ASN CB C 13 36.092 0.000 . . . . . . A 5 ASN CB . 34865 1 22 . 1 . 1 5 5 ASN N N 15 119.342 0.056 . . . . . . A 5 ASN N . 34865 1 23 . 1 . 1 6 6 TYR H H 1 8.068 0.005 . . . . . . A 6 TYR H . 34865 1 24 . 1 . 1 6 6 TYR HA H 1 4.460 0.000 . . . . . . A 6 TYR HA . 34865 1 25 . 1 . 1 6 6 TYR HB2 H 1 2.908 0.000 . . . . . . A 6 TYR HB2 . 34865 1 26 . 1 . 1 6 6 TYR HB3 H 1 2.906 0.001 . . . . . . A 6 TYR HB3 . 34865 1 27 . 1 . 1 6 6 TYR HD1 H 1 7.030 0.000 . . . . . . A 6 TYR HD1 . 34865 1 28 . 1 . 1 6 6 TYR HD2 H 1 7.030 0.000 . . . . . . A 6 TYR HD2 . 34865 1 29 . 1 . 1 6 6 TYR HE1 H 1 6.753 0.001 . . . . . . A 6 TYR HE1 . 34865 1 30 . 1 . 1 6 6 TYR HE2 H 1 6.753 0.001 . . . . . . A 6 TYR HE2 . 34865 1 31 . 1 . 1 6 6 TYR CA C 13 55.195 0.005 . . . . . . A 6 TYR CA . 34865 1 32 . 1 . 1 6 6 TYR CB C 13 36.134 0.014 . . . . . . A 6 TYR CB . 34865 1 33 . 1 . 1 6 6 TYR N N 15 121.288 0.098 . . . . . . A 6 TYR N . 34865 1 34 . 1 . 1 7 7 GLN H H 1 8.148 0.005 . . . . . . A 7 GLN H . 34865 1 35 . 1 . 1 7 7 GLN HA H 1 4.489 0.007 . . . . . . A 7 GLN HA . 34865 1 36 . 1 . 1 7 7 GLN CA C 13 50.567 0.000 . . . . . . A 7 GLN CA . 34865 1 37 . 1 . 1 7 7 GLN CB C 13 26.791 0.000 . . . . . . A 7 GLN CB . 34865 1 38 . 1 . 1 7 7 GLN N N 15 124.394 0.052 . . . . . . A 7 GLN N . 34865 1 39 . 1 . 1 8 8 PRO HA H 1 4.249 0.000 . . . . . . A 8 PRO HA . 34865 1 40 . 1 . 1 8 8 PRO HB2 H 1 2.198 0.000 . . . . . . A 8 PRO HB2 . 34865 1 41 . 1 . 1 8 8 PRO HB3 H 1 1.800 0.000 . . . . . . A 8 PRO HB3 . 34865 1 42 . 1 . 1 8 8 PRO HG2 H 1 2.764 0.000 . . . . . . A 8 PRO HG2 . 34865 1 43 . 1 . 1 8 8 PRO HD2 H 1 3.529 0.001 . . . . . . A 8 PRO HD2 . 34865 1 44 . 1 . 1 8 8 PRO HD3 H 1 3.394 0.002 . . . . . . A 8 PRO HD3 . 34865 1 45 . 1 . 1 8 8 PRO CA C 13 60.483 0.000 . . . . . . A 8 PRO CA . 34865 1 46 . 1 . 1 8 8 PRO CB C 13 29.283 0.000 . . . . . . A 8 PRO CB . 34865 1 47 . 1 . 1 9 9 ASN H H 1 8.395 0.005 . . . . . . A 9 ASN H . 34865 1 48 . 1 . 1 9 9 ASN HA H 1 4.521 0.008 . . . . . . A 9 ASN HA . 34865 1 49 . 1 . 1 9 9 ASN HD21 H 1 7.572 0.005 . . . . . . A 9 ASN HD21 . 34865 1 50 . 1 . 1 9 9 ASN HD22 H 1 6.944 0.006 . . . . . . A 9 ASN HD22 . 34865 1 51 . 1 . 1 9 9 ASN CA C 13 51.230 0.000 . . . . . . A 9 ASN CA . 34865 1 52 . 1 . 1 9 9 ASN CB C 13 35.764 0.000 . . . . . . A 9 ASN CB . 34865 1 53 . 1 . 1 9 9 ASN N N 15 117.810 0.023 . . . . . . A 9 ASN N . 34865 1 54 . 1 . 1 9 9 ASN ND2 N 15 112.545 0.005 . . . . . . A 9 ASN ND2 . 34865 1 55 . 1 . 1 10 10 LYS H H 1 8.226 0.011 . . . . . . A 10 LYS H . 34865 1 56 . 1 . 1 10 10 LYS CA C 13 56.389 0.000 . . . . . . A 10 LYS CA . 34865 1 57 . 1 . 1 10 10 LYS CB C 13 30.062 0.000 . . . . . . A 10 LYS CB . 34865 1 58 . 1 . 1 10 10 LYS N N 15 120.318 0.034 . . . . . . A 10 LYS N . 34865 1 59 . 1 . 1 11 11 ASP H H 1 8.201 0.012 . . . . . . A 11 ASP H . 34865 1 60 . 1 . 1 11 11 ASP HA H 1 4.366 0.006 . . . . . . A 11 ASP HA . 34865 1 61 . 1 . 1 11 11 ASP HB2 H 1 2.635 0.000 . . . . . . A 11 ASP HB2 . 34865 1 62 . 1 . 1 11 11 ASP CA C 13 53.889 0.015 . . . . . . A 11 ASP CA . 34865 1 63 . 1 . 1 11 11 ASP CB C 13 37.361 0.001 . . . . . . A 11 ASP CB . 34865 1 64 . 1 . 1 11 11 ASP N N 15 118.887 0.033 . . . . . . A 11 ASP N . 34865 1 65 . 1 . 1 12 12 LEU H H 1 7.708 0.008 . . . . . . A 12 LEU H . 34865 1 66 . 1 . 1 12 12 LEU HA H 1 4.042 0.007 . . . . . . A 12 LEU HA . 34865 1 67 . 1 . 1 12 12 LEU HB2 H 1 1.653 0.000 . . . . . . A 12 LEU HB2 . 34865 1 68 . 1 . 1 12 12 LEU HB3 H 1 1.784 0.000 . . . . . . A 12 LEU HB3 . 34865 1 69 . 1 . 1 12 12 LEU HG H 1 1.450 0.000 . . . . . . A 12 LEU HG . 34865 1 70 . 1 . 1 12 12 LEU HD11 H 1 0.857 0.000 . . . . . . A 12 LEU HD11 . 34865 1 71 . 1 . 1 12 12 LEU HD12 H 1 0.857 0.000 . . . . . . A 12 LEU HD12 . 34865 1 72 . 1 . 1 12 12 LEU HD13 H 1 0.857 0.000 . . . . . . A 12 LEU HD13 . 34865 1 73 . 1 . 1 12 12 LEU CA C 13 54.933 0.019 . . . . . . A 12 LEU CA . 34865 1 74 . 1 . 1 12 12 LEU CB C 13 39.206 0.054 . . . . . . A 12 LEU CB . 34865 1 75 . 1 . 1 12 12 LEU N N 15 120.622 0.038 . . . . . . A 12 LEU N . 34865 1 76 . 1 . 1 13 13 LEU H H 1 8.003 0.006 . . . . . . A 13 LEU H . 34865 1 77 . 1 . 1 13 13 LEU HA H 1 3.976 0.004 . . . . . . A 13 LEU HA . 34865 1 78 . 1 . 1 13 13 LEU HB2 H 1 1.818 0.000 . . . . . . A 13 LEU HB2 . 34865 1 79 . 1 . 1 13 13 LEU CA C 13 55.531 0.000 . . . . . . A 13 LEU CA . 34865 1 80 . 1 . 1 13 13 LEU CB C 13 38.259 0.000 . . . . . . A 13 LEU CB . 34865 1 81 . 1 . 1 13 13 LEU N N 15 118.053 0.042 . . . . . . A 13 LEU N . 34865 1 82 . 1 . 1 14 14 GLU H H 1 7.809 0.017 . . . . . . A 14 GLU H . 34865 1 83 . 1 . 1 14 14 GLU HA H 1 4.048 0.003 . . . . . . A 14 GLU HA . 34865 1 84 . 1 . 1 14 14 GLU HB2 H 1 2.101 0.000 . . . . . . A 14 GLU HB2 . 34865 1 85 . 1 . 1 14 14 GLU HG2 H 1 2.404 0.000 . . . . . . A 14 GLU HG2 . 34865 1 86 . 1 . 1 14 14 GLU CA C 13 56.704 0.000 . . . . . . A 14 GLU CA . 34865 1 87 . 1 . 1 14 14 GLU CB C 13 26.550 0.000 . . . . . . A 14 GLU CB . 34865 1 88 . 1 . 1 14 14 GLU N N 15 119.159 0.027 . . . . . . A 14 GLU N . 34865 1 89 . 1 . 1 15 15 ILE H H 1 7.968 0.008 . . . . . . A 15 ILE H . 34865 1 90 . 1 . 1 15 15 ILE HA H 1 3.730 0.002 . . . . . . A 15 ILE HA . 34865 1 91 . 1 . 1 15 15 ILE HB H 1 1.948 0.000 . . . . . . A 15 ILE HB . 34865 1 92 . 1 . 1 15 15 ILE CA C 13 61.905 0.000 . . . . . . A 15 ILE CA . 34865 1 93 . 1 . 1 15 15 ILE CB C 13 35.435 0.000 . . . . . . A 15 ILE CB . 34865 1 94 . 1 . 1 15 15 ILE N N 15 121.615 0.047 . . . . . . A 15 ILE N . 34865 1 95 . 1 . 1 16 16 LEU H H 1 8.272 0.009 . . . . . . A 16 LEU H . 34865 1 96 . 1 . 1 16 16 LEU HA H 1 4.193 0.007 . . . . . . A 16 LEU HA . 34865 1 97 . 1 . 1 16 16 LEU HB2 H 1 1.708 0.000 . . . . . . A 16 LEU HB2 . 34865 1 98 . 1 . 1 16 16 LEU HB3 H 1 1.830 0.000 . . . . . . A 16 LEU HB3 . 34865 1 99 . 1 . 1 16 16 LEU HG H 1 1.503 0.000 . . . . . . A 16 LEU HG . 34865 1 100 . 1 . 1 16 16 LEU HD11 H 1 0.849 0.000 . . . . . . A 16 LEU HD11 . 34865 1 101 . 1 . 1 16 16 LEU HD12 H 1 0.849 0.000 . . . . . . A 16 LEU HD12 . 34865 1 102 . 1 . 1 16 16 LEU HD13 H 1 0.849 0.000 . . . . . . A 16 LEU HD13 . 34865 1 103 . 1 . 1 16 16 LEU HD21 H 1 0.849 0.000 . . . . . . A 16 LEU HD21 . 34865 1 104 . 1 . 1 16 16 LEU HD22 H 1 0.849 0.000 . . . . . . A 16 LEU HD22 . 34865 1 105 . 1 . 1 16 16 LEU HD23 H 1 0.849 0.000 . . . . . . A 16 LEU HD23 . 34865 1 106 . 1 . 1 16 16 LEU CA C 13 55.757 0.045 . . . . . . A 16 LEU CA . 34865 1 107 . 1 . 1 16 16 LEU CB C 13 39.445 0.005 . . . . . . A 16 LEU CB . 34865 1 108 . 1 . 1 16 16 LEU N N 15 121.848 0.065 . . . . . . A 16 LEU N . 34865 1 109 . 1 . 1 17 17 GLU H H 1 7.942 0.012 . . . . . . A 17 GLU H . 34865 1 110 . 1 . 1 17 17 GLU HA H 1 4.036 0.018 . . . . . . A 17 GLU HA . 34865 1 111 . 1 . 1 17 17 GLU HB2 H 1 2.055 0.000 . . . . . . A 17 GLU HB2 . 34865 1 112 . 1 . 1 17 17 GLU HB3 H 1 1.953 0.000 . . . . . . A 17 GLU HB3 . 34865 1 113 . 1 . 1 17 17 GLU CA C 13 56.286 0.022 . . . . . . A 17 GLU CA . 34865 1 114 . 1 . 1 17 17 GLU CB C 13 26.393 0.000 . . . . . . A 17 GLU CB . 34865 1 115 . 1 . 1 17 17 GLU N N 15 118.043 0.050 . . . . . . A 17 GLU N . 34865 1 116 . 1 . 1 18 18 SER H H 1 8.176 0.010 . . . . . . A 18 SER H . 34865 1 117 . 1 . 1 18 18 SER HA H 1 4.201 0.010 . . . . . . A 18 SER HA . 34865 1 118 . 1 . 1 18 18 SER HB2 H 1 3.724 0.000 . . . . . . A 18 SER HB2 . 34865 1 119 . 1 . 1 18 18 SER CA C 13 58.838 0.000 . . . . . . A 18 SER CA . 34865 1 120 . 1 . 1 18 18 SER CB C 13 59.754 0.000 . . . . . . A 18 SER CB . 34865 1 121 . 1 . 1 18 18 SER N N 15 116.086 0.032 . . . . . . A 18 SER N . 34865 1 122 . 1 . 1 19 19 GLN H H 1 8.748 0.004 . . . . . . A 19 GLN H . 34865 1 123 . 1 . 1 19 19 GLN HA H 1 3.953 0.035 . . . . . . A 19 GLN HA . 34865 1 124 . 1 . 1 19 19 GLN HB2 H 1 1.992 0.000 . . . . . . A 19 GLN HB2 . 34865 1 125 . 1 . 1 19 19 GLN HB3 H 1 1.671 0.000 . . . . . . A 19 GLN HB3 . 34865 1 126 . 1 . 1 19 19 GLN HG2 H 1 2.488 0.000 . . . . . . A 19 GLN HG2 . 34865 1 127 . 1 . 1 19 19 GLN HG3 H 1 2.774 0.000 . . . . . . A 19 GLN HG3 . 34865 1 128 . 1 . 1 19 19 GLN CA C 13 56.738 0.000 . . . . . . A 19 GLN CA . 34865 1 129 . 1 . 1 19 19 GLN CB C 13 26.730 0.000 . . . . . . A 19 GLN CB . 34865 1 130 . 1 . 1 19 19 GLN N N 15 121.241 0.026 . . . . . . A 19 GLN N . 34865 1 131 . 1 . 1 20 20 LYS HA H 1 4.036 0.000 . . . . . . A 20 LYS HA . 34865 1 132 . 1 . 1 20 20 LYS HB2 H 1 2.065 0.000 . . . . . . A 20 LYS HB2 . 34865 1 133 . 1 . 1 20 20 LYS CA C 13 56.724 0.000 . . . . . . A 20 LYS CA . 34865 1 134 . 1 . 1 20 20 LYS CB C 13 26.605 0.000 . . . . . . A 20 LYS CB . 34865 1 135 . 1 . 1 21 21 ILE H H 1 7.676 0.010 . . . . . . A 21 ILE H . 34865 1 136 . 1 . 1 21 21 ILE HA H 1 3.719 0.003 . . . . . . A 21 ILE HA . 34865 1 137 . 1 . 1 21 21 ILE HB H 1 1.951 0.000 . . . . . . A 21 ILE HB . 34865 1 138 . 1 . 1 21 21 ILE HG12 H 1 1.737 0.000 . . . . . . A 21 ILE HG12 . 34865 1 139 . 1 . 1 21 21 ILE HG21 H 1 1.038 0.000 . . . . . . A 21 ILE HG21 . 34865 1 140 . 1 . 1 21 21 ILE HG22 H 1 1.038 0.000 . . . . . . A 21 ILE HG22 . 34865 1 141 . 1 . 1 21 21 ILE HG23 H 1 1.038 0.000 . . . . . . A 21 ILE HG23 . 34865 1 142 . 1 . 1 21 21 ILE HD11 H 1 0.802 0.000 . . . . . . A 21 ILE HD11 . 34865 1 143 . 1 . 1 21 21 ILE HD12 H 1 0.802 0.000 . . . . . . A 21 ILE HD12 . 34865 1 144 . 1 . 1 21 21 ILE HD13 H 1 0.802 0.000 . . . . . . A 21 ILE HD13 . 34865 1 145 . 1 . 1 21 21 ILE CA C 13 62.207 0.000 . . . . . . A 21 ILE CA . 34865 1 146 . 1 . 1 21 21 ILE CB C 13 34.962 0.000 . . . . . . A 21 ILE CB . 34865 1 147 . 1 . 1 21 21 ILE N N 15 122.145 0.038 . . . . . . A 21 ILE N . 34865 1 148 . 1 . 1 22 22 LYS H H 1 7.447 0.017 . . . . . . A 22 LYS H . 34865 1 149 . 1 . 1 22 22 LYS HA H 1 3.961 0.016 . . . . . . A 22 LYS HA . 34865 1 150 . 1 . 1 22 22 LYS HB2 H 1 1.796 0.015 . . . . . . A 22 LYS HB2 . 34865 1 151 . 1 . 1 22 22 LYS HB3 H 1 1.906 0.000 . . . . . . A 22 LYS HB3 . 34865 1 152 . 1 . 1 22 22 LYS CA C 13 60.267 0.072 . . . . . . A 22 LYS CA . 34865 1 153 . 1 . 1 22 22 LYS CB C 13 29.427 0.056 . . . . . . A 22 LYS CB . 34865 1 154 . 1 . 1 22 22 LYS N N 15 118.938 0.010 . . . . . . A 22 LYS N . 34865 1 155 . 1 . 1 23 23 ILE H H 1 8.380 0.006 . . . . . . A 23 ILE H . 34865 1 156 . 1 . 1 23 23 ILE HA H 1 3.389 0.000 . . . . . . A 23 ILE HA . 34865 1 157 . 1 . 1 23 23 ILE HB H 1 1.918 0.000 . . . . . . A 23 ILE HB . 34865 1 158 . 1 . 1 23 23 ILE HG21 H 1 0.833 0.000 . . . . . . A 23 ILE HG21 . 34865 1 159 . 1 . 1 23 23 ILE HG22 H 1 0.833 0.000 . . . . . . A 23 ILE HG22 . 34865 1 160 . 1 . 1 23 23 ILE HG23 H 1 0.833 0.000 . . . . . . A 23 ILE HG23 . 34865 1 161 . 1 . 1 23 23 ILE HD11 H 1 0.598 0.000 . . . . . . A 23 ILE HD11 . 34865 1 162 . 1 . 1 23 23 ILE HD12 H 1 0.598 0.000 . . . . . . A 23 ILE HD12 . 34865 1 163 . 1 . 1 23 23 ILE HD13 H 1 0.598 0.000 . . . . . . A 23 ILE HD13 . 34865 1 164 . 1 . 1 23 23 ILE CA C 13 63.734 0.024 . . . . . . A 23 ILE CA . 34865 1 165 . 1 . 1 23 23 ILE CB C 13 35.765 0.078 . . . . . . A 23 ILE CB . 34865 1 166 . 1 . 1 23 23 ILE N N 15 118.751 0.036 . . . . . . A 23 ILE N . 34865 1 167 . 1 . 1 24 24 LYS H H 1 7.708 0.013 . . . . . . A 24 LYS H . 34865 1 168 . 1 . 1 24 24 LYS HA H 1 3.880 0.001 . . . . . . A 24 LYS HA . 34865 1 169 . 1 . 1 24 24 LYS HB2 H 1 1.901 0.000 . . . . . . A 24 LYS HB2 . 34865 1 170 . 1 . 1 24 24 LYS HB3 H 1 1.997 0.000 . . . . . . A 24 LYS HB3 . 34865 1 171 . 1 . 1 24 24 LYS CA C 13 57.452 0.050 . . . . . . A 24 LYS CA . 34865 1 172 . 1 . 1 24 24 LYS CB C 13 29.387 0.052 . . . . . . A 24 LYS CB . 34865 1 173 . 1 . 1 24 24 LYS N N 15 120.070 0.029 . . . . . . A 24 LYS N . 34865 1 174 . 1 . 1 25 25 ASN H H 1 8.452 0.009 . . . . . . A 25 ASN H . 34865 1 175 . 1 . 1 25 25 ASN HA H 1 4.472 0.004 . . . . . . A 25 ASN HA . 34865 1 176 . 1 . 1 25 25 ASN HB2 H 1 2.871 0.005 . . . . . . A 25 ASN HB2 . 34865 1 177 . 1 . 1 25 25 ASN HB3 H 1 2.866 0.000 . . . . . . A 25 ASN HB3 . 34865 1 178 . 1 . 1 25 25 ASN HD21 H 1 6.852 0.000 . . . . . . A 25 ASN HD21 . 34865 1 179 . 1 . 1 25 25 ASN HD22 H 1 7.483 0.000 . . . . . . A 25 ASN HD22 . 34865 1 180 . 1 . 1 25 25 ASN CA C 13 53.286 0.003 . . . . . . A 25 ASN CA . 34865 1 181 . 1 . 1 25 25 ASN CB C 13 35.124 0.068 . . . . . . A 25 ASN CB . 34865 1 182 . 1 . 1 25 25 ASN N N 15 118.080 0.033 . . . . . . A 25 ASN N . 34865 1 183 . 1 . 1 26 26 LEU H H 1 8.646 0.010 . . . . . . A 26 LEU H . 34865 1 184 . 1 . 1 26 26 LEU HA H 1 4.134 0.007 . . . . . . A 26 LEU HA . 34865 1 185 . 1 . 1 26 26 LEU HB2 H 1 2.029 0.000 . . . . . . A 26 LEU HB2 . 34865 1 186 . 1 . 1 26 26 LEU HB3 H 1 1.794 0.000 . . . . . . A 26 LEU HB3 . 34865 1 187 . 1 . 1 26 26 LEU HG H 1 1.567 0.000 . . . . . . A 26 LEU HG . 34865 1 188 . 1 . 1 26 26 LEU HD11 H 1 0.862 0.000 . . . . . . A 26 LEU HD11 . 34865 1 189 . 1 . 1 26 26 LEU HD12 H 1 0.862 0.000 . . . . . . A 26 LEU HD12 . 34865 1 190 . 1 . 1 26 26 LEU HD13 H 1 0.862 0.000 . . . . . . A 26 LEU HD13 . 34865 1 191 . 1 . 1 26 26 LEU CA C 13 55.580 0.067 . . . . . . A 26 LEU CA . 34865 1 192 . 1 . 1 26 26 LEU CB C 13 41.104 0.090 . . . . . . A 26 LEU CB . 34865 1 193 . 1 . 1 26 26 LEU N N 15 123.612 0.025 . . . . . . A 26 LEU N . 34865 1 194 . 1 . 1 27 27 LYS H H 1 8.612 0.010 . . . . . . A 27 LYS H . 34865 1 195 . 1 . 1 27 27 LYS HA H 1 3.830 0.022 . . . . . . A 27 LYS HA . 34865 1 196 . 1 . 1 27 27 LYS HB2 H 1 1.942 0.021 . . . . . . A 27 LYS HB2 . 34865 1 197 . 1 . 1 27 27 LYS HB3 H 1 1.772 0.003 . . . . . . A 27 LYS HB3 . 34865 1 198 . 1 . 1 27 27 LYS HG2 H 1 1.366 0.000 . . . . . . A 27 LYS HG2 . 34865 1 199 . 1 . 1 27 27 LYS HD2 H 1 1.612 0.000 . . . . . . A 27 LYS HD2 . 34865 1 200 . 1 . 1 27 27 LYS CA C 13 57.837 0.046 . . . . . . A 27 LYS CA . 34865 1 201 . 1 . 1 27 27 LYS CB C 13 29.606 0.055 . . . . . . A 27 LYS CB . 34865 1 202 . 1 . 1 27 27 LYS N N 15 118.465 0.038 . . . . . . A 27 LYS N . 34865 1 203 . 1 . 1 28 28 GLU H H 1 7.709 0.015 . . . . . . A 28 GLU H . 34865 1 204 . 1 . 1 28 28 GLU HA H 1 4.060 0.008 . . . . . . A 28 GLU HA . 34865 1 205 . 1 . 1 28 28 GLU HB2 H 1 1.642 0.000 . . . . . . A 28 GLU HB2 . 34865 1 206 . 1 . 1 28 28 GLU HB3 H 1 1.401 0.000 . . . . . . A 28 GLU HB3 . 34865 1 207 . 1 . 1 28 28 GLU HG2 H 1 2.129 0.000 . . . . . . A 28 GLU HG2 . 34865 1 208 . 1 . 1 28 28 GLU HG3 H 1 2.366 0.000 . . . . . . A 28 GLU HG3 . 34865 1 209 . 1 . 1 28 28 GLU CA C 13 56.346 0.046 . . . . . . A 28 GLU CA . 34865 1 210 . 1 . 1 28 28 GLU CB C 13 26.259 0.000 . . . . . . A 28 GLU CB . 34865 1 211 . 1 . 1 28 28 GLU N N 15 119.467 0.081 . . . . . . A 28 GLU N . 34865 1 212 . 1 . 1 29 29 GLU H H 1 7.962 0.009 . . . . . . A 29 GLU H . 34865 1 213 . 1 . 1 29 29 GLU HA H 1 3.964 0.000 . . . . . . A 29 GLU HA . 34865 1 214 . 1 . 1 29 29 GLU HB2 H 1 2.150 0.000 . . . . . . A 29 GLU HB2 . 34865 1 215 . 1 . 1 29 29 GLU HG2 H 1 2.151 0.000 . . . . . . A 29 GLU HG2 . 34865 1 216 . 1 . 1 29 29 GLU HG3 H 1 2.352 0.000 . . . . . . A 29 GLU HG3 . 34865 1 217 . 1 . 1 29 29 GLU CA C 13 57.528 0.046 . . . . . . A 29 GLU CA . 34865 1 218 . 1 . 1 29 29 GLU CB C 13 26.888 0.079 . . . . . . A 29 GLU CB . 34865 1 219 . 1 . 1 29 29 GLU N N 15 121.620 0.054 . . . . . . A 29 GLU N . 34865 1 220 . 1 . 1 30 30 VAL H H 1 8.241 0.010 . . . . . . A 30 VAL H . 34865 1 221 . 1 . 1 30 30 VAL HA H 1 3.378 0.009 . . . . . . A 30 VAL HA . 34865 1 222 . 1 . 1 30 30 VAL HB H 1 2.039 0.000 . . . . . . A 30 VAL HB . 34865 1 223 . 1 . 1 30 30 VAL HG11 H 1 0.971 0.000 . . . . . . A 30 VAL HG11 . 34865 1 224 . 1 . 1 30 30 VAL HG12 H 1 0.971 0.000 . . . . . . A 30 VAL HG12 . 34865 1 225 . 1 . 1 30 30 VAL HG13 H 1 0.971 0.000 . . . . . . A 30 VAL HG13 . 34865 1 226 . 1 . 1 30 30 VAL HG21 H 1 0.840 0.002 . . . . . . A 30 VAL HG21 . 34865 1 227 . 1 . 1 30 30 VAL HG22 H 1 0.840 0.002 . . . . . . A 30 VAL HG22 . 34865 1 228 . 1 . 1 30 30 VAL HG23 H 1 0.840 0.002 . . . . . . A 30 VAL HG23 . 34865 1 229 . 1 . 1 30 30 VAL CA C 13 64.768 0.001 . . . . . . A 30 VAL CA . 34865 1 230 . 1 . 1 30 30 VAL CB C 13 29.242 0.000 . . . . . . A 30 VAL CB . 34865 1 231 . 1 . 1 30 30 VAL N N 15 118.253 0.043 . . . . . . A 30 VAL N . 34865 1 232 . 1 . 1 31 31 LYS H H 1 7.391 0.013 . . . . . . A 31 LYS H . 34865 1 233 . 1 . 1 31 31 LYS HA H 1 3.959 0.008 . . . . . . A 31 LYS HA . 34865 1 234 . 1 . 1 31 31 LYS HB2 H 1 1.367 0.000 . . . . . . A 31 LYS HB2 . 34865 1 235 . 1 . 1 31 31 LYS HB3 H 1 1.936 0.000 . . . . . . A 31 LYS HB3 . 34865 1 236 . 1 . 1 31 31 LYS CA C 13 57.014 0.004 . . . . . . A 31 LYS CA . 34865 1 237 . 1 . 1 31 31 LYS CB C 13 29.567 0.000 . . . . . . A 31 LYS CB . 34865 1 238 . 1 . 1 31 31 LYS N N 15 118.387 0.044 . . . . . . A 31 LYS N . 34865 1 239 . 1 . 1 32 32 ILE H H 1 8.096 0.012 . . . . . . A 32 ILE H . 34865 1 240 . 1 . 1 32 32 ILE HA H 1 4.464 0.000 . . . . . . A 32 ILE HA . 34865 1 241 . 1 . 1 32 32 ILE HB H 1 1.712 0.000 . . . . . . A 32 ILE HB . 34865 1 242 . 1 . 1 32 32 ILE HG21 H 1 1.134 0.000 . . . . . . A 32 ILE HG21 . 34865 1 243 . 1 . 1 32 32 ILE HG22 H 1 1.134 0.000 . . . . . . A 32 ILE HG22 . 34865 1 244 . 1 . 1 32 32 ILE HG23 H 1 1.134 0.000 . . . . . . A 32 ILE HG23 . 34865 1 245 . 1 . 1 32 32 ILE HD11 H 1 0.851 0.000 . . . . . . A 32 ILE HD11 . 34865 1 246 . 1 . 1 32 32 ILE HD12 H 1 0.851 0.000 . . . . . . A 32 ILE HD12 . 34865 1 247 . 1 . 1 32 32 ILE HD13 H 1 0.851 0.000 . . . . . . A 32 ILE HD13 . 34865 1 248 . 1 . 1 32 32 ILE CA C 13 62.321 0.000 . . . . . . A 32 ILE CA . 34865 1 249 . 1 . 1 32 32 ILE CB C 13 35.485 0.000 . . . . . . A 32 ILE CB . 34865 1 250 . 1 . 1 32 32 ILE N N 15 120.515 0.044 . . . . . . A 32 ILE N . 34865 1 251 . 1 . 1 33 33 LEU HA H 1 3.962 0.000 . . . . . . A 33 LEU HA . 34865 1 252 . 1 . 1 33 33 LEU HD11 H 1 0.848 0.000 . . . . . . A 33 LEU HD11 . 34865 1 253 . 1 . 1 33 33 LEU HD12 H 1 0.848 0.000 . . . . . . A 33 LEU HD12 . 34865 1 254 . 1 . 1 33 33 LEU HD13 H 1 0.848 0.000 . . . . . . A 33 LEU HD13 . 34865 1 255 . 1 . 1 33 33 LEU HD21 H 1 0.973 0.000 . . . . . . A 33 LEU HD21 . 34865 1 256 . 1 . 1 33 33 LEU HD22 H 1 0.973 0.000 . . . . . . A 33 LEU HD22 . 34865 1 257 . 1 . 1 33 33 LEU HD23 H 1 0.973 0.000 . . . . . . A 33 LEU HD23 . 34865 1 258 . 1 . 1 33 33 LEU CA C 13 55.404 0.000 . . . . . . A 33 LEU CA . 34865 1 259 . 1 . 1 33 33 LEU CB C 13 39.604 0.000 . . . . . . A 33 LEU CB . 34865 1 260 . 1 . 1 34 34 GLN H H 1 8.816 0.004 . . . . . . A 34 GLN H . 34865 1 261 . 1 . 1 34 34 GLN HA H 1 3.859 0.009 . . . . . . A 34 GLN HA . 34865 1 262 . 1 . 1 34 34 GLN HB2 H 1 1.955 0.023 . . . . . . A 34 GLN HB2 . 34865 1 263 . 1 . 1 34 34 GLN HB3 H 1 2.229 0.000 . . . . . . A 34 GLN HB3 . 34865 1 264 . 1 . 1 34 34 GLN HG2 H 1 2.449 0.000 . . . . . . A 34 GLN HG2 . 34865 1 265 . 1 . 1 34 34 GLN HG3 H 1 2.242 0.000 . . . . . . A 34 GLN HG3 . 34865 1 266 . 1 . 1 34 34 GLN CA C 13 55.917 0.078 . . . . . . A 34 GLN CA . 34865 1 267 . 1 . 1 34 34 GLN CB C 13 25.497 0.013 . . . . . . A 34 GLN CB . 34865 1 268 . 1 . 1 34 34 GLN N N 15 118.438 0.027 . . . . . . A 34 GLN N . 34865 1 269 . 1 . 1 35 35 ARG H H 1 7.853 0.007 . . . . . . A 35 ARG H . 34865 1 270 . 1 . 1 35 35 ARG HA H 1 4.116 0.015 . . . . . . A 35 ARG HA . 34865 1 271 . 1 . 1 35 35 ARG CA C 13 56.472 0.000 . . . . . . A 35 ARG CA . 34865 1 272 . 1 . 1 35 35 ARG CB C 13 27.035 0.000 . . . . . . A 35 ARG CB . 34865 1 273 . 1 . 1 35 35 ARG N N 15 118.566 0.029 . . . . . . A 35 ARG N . 34865 1 274 . 1 . 1 36 36 LYS HA H 1 3.809 0.000 . . . . . . A 36 LYS HA . 34865 1 275 . 1 . 1 36 36 LYS HB2 H 1 1.954 0.000 . . . . . . A 36 LYS HB2 . 34865 1 276 . 1 . 1 36 36 LYS CA C 13 58.062 0.000 . . . . . . A 36 LYS CA . 34865 1 277 . 1 . 1 36 36 LYS CB C 13 29.823 0.000 . . . . . . A 36 LYS CB . 34865 1 278 . 1 . 1 37 37 ILE H H 1 7.577 0.013 . . . . . . A 37 ILE H . 34865 1 279 . 1 . 1 37 37 ILE HA H 1 3.745 0.000 . . . . . . A 37 ILE HA . 34865 1 280 . 1 . 1 37 37 ILE HB H 1 1.916 0.000 . . . . . . A 37 ILE HB . 34865 1 281 . 1 . 1 37 37 ILE HG12 H 1 1.501 0.000 . . . . . . A 37 ILE HG12 . 34865 1 282 . 1 . 1 37 37 ILE HG21 H 1 1.225 0.000 . . . . . . A 37 ILE HG21 . 34865 1 283 . 1 . 1 37 37 ILE HG22 H 1 1.225 0.000 . . . . . . A 37 ILE HG22 . 34865 1 284 . 1 . 1 37 37 ILE HG23 H 1 1.225 0.000 . . . . . . A 37 ILE HG23 . 34865 1 285 . 1 . 1 37 37 ILE HD11 H 1 0.858 0.000 . . . . . . A 37 ILE HD11 . 34865 1 286 . 1 . 1 37 37 ILE HD12 H 1 0.858 0.000 . . . . . . A 37 ILE HD12 . 34865 1 287 . 1 . 1 37 37 ILE HD13 H 1 0.858 0.000 . . . . . . A 37 ILE HD13 . 34865 1 288 . 1 . 1 37 37 ILE CA C 13 62.008 0.000 . . . . . . A 37 ILE CA . 34865 1 289 . 1 . 1 37 37 ILE CB C 13 35.163 0.000 . . . . . . A 37 ILE CB . 34865 1 290 . 1 . 1 37 37 ILE N N 15 120.676 0.037 . . . . . . A 37 ILE N . 34865 1 291 . 1 . 1 38 38 ASP H H 1 8.424 0.009 . . . . . . A 38 ASP H . 34865 1 292 . 1 . 1 38 38 ASP HA H 1 4.366 0.001 . . . . . . A 38 ASP HA . 34865 1 293 . 1 . 1 38 38 ASP HB2 H 1 2.753 0.002 . . . . . . A 38 ASP HB2 . 34865 1 294 . 1 . 1 38 38 ASP HB3 H 1 2.546 0.000 . . . . . . A 38 ASP HB3 . 34865 1 295 . 1 . 1 38 38 ASP CA C 13 54.478 0.068 . . . . . . A 38 ASP CA . 34865 1 296 . 1 . 1 38 38 ASP CB C 13 37.544 0.021 . . . . . . A 38 ASP CB . 34865 1 297 . 1 . 1 38 38 ASP N N 15 120.984 0.024 . . . . . . A 38 ASP N . 34865 1 298 . 1 . 1 39 39 GLN H H 1 8.106 0.004 . . . . . . A 39 GLN H . 34865 1 299 . 1 . 1 39 39 GLN HA H 1 4.086 0.010 . . . . . . A 39 GLN HA . 34865 1 300 . 1 . 1 39 39 GLN HB2 H 1 2.102 0.000 . . . . . . A 39 GLN HB2 . 34865 1 301 . 1 . 1 39 39 GLN HB3 H 1 2.174 0.000 . . . . . . A 39 GLN HB3 . 34865 1 302 . 1 . 1 39 39 GLN HG2 H 1 2.357 0.000 . . . . . . A 39 GLN HG2 . 34865 1 303 . 1 . 1 39 39 GLN HG3 H 1 2.153 0.000 . . . . . . A 39 GLN HG3 . 34865 1 304 . 1 . 1 39 39 GLN HE21 H 1 7.495 0.004 . . . . . . A 39 GLN HE21 . 34865 1 305 . 1 . 1 39 39 GLN HE22 H 1 6.461 0.013 . . . . . . A 39 GLN HE22 . 34865 1 306 . 1 . 1 39 39 GLN CA C 13 55.438 0.006 . . . . . . A 39 GLN CA . 34865 1 307 . 1 . 1 39 39 GLN CB C 13 25.853 0.072 . . . . . . A 39 GLN CB . 34865 1 308 . 1 . 1 39 39 GLN N N 15 118.736 0.068 . . . . . . A 39 GLN N . 34865 1 309 . 1 . 1 39 39 GLN NE2 N 15 113.433 0.010 . . . . . . A 39 GLN NE2 . 34865 1 310 . 1 . 1 40 40 GLN H H 1 7.838 0.019 . . . . . . A 40 GLN H . 34865 1 311 . 1 . 1 40 40 GLN HA H 1 4.054 0.000 . . . . . . A 40 GLN HA . 34865 1 312 . 1 . 1 40 40 GLN HB2 H 1 2.170 0.000 . . . . . . A 40 GLN HB2 . 34865 1 313 . 1 . 1 40 40 GLN HB3 H 1 2.096 0.000 . . . . . . A 40 GLN HB3 . 34865 1 314 . 1 . 1 40 40 GLN HG2 H 1 2.335 0.000 . . . . . . A 40 GLN HG2 . 34865 1 315 . 1 . 1 40 40 GLN HG3 H 1 2.393 0.000 . . . . . . A 40 GLN HG3 . 34865 1 316 . 1 . 1 40 40 GLN HE21 H 1 6.631 0.000 . . . . . . A 40 GLN HE21 . 34865 1 317 . 1 . 1 40 40 GLN CA C 13 55.166 0.028 . . . . . . A 40 GLN CA . 34865 1 318 . 1 . 1 40 40 GLN CB C 13 25.593 0.027 . . . . . . A 40 GLN CB . 34865 1 319 . 1 . 1 40 40 GLN N N 15 119.914 0.067 . . . . . . A 40 GLN N . 34865 1 320 . 1 . 1 41 41 ILE H H 1 8.043 0.002 . . . . . . A 41 ILE H . 34865 1 321 . 1 . 1 41 41 ILE HA H 1 3.846 0.021 . . . . . . A 41 ILE HA . 34865 1 322 . 1 . 1 41 41 ILE HB H 1 1.867 0.000 . . . . . . A 41 ILE HB . 34865 1 323 . 1 . 1 41 41 ILE HG12 H 1 1.404 0.000 . . . . . . A 41 ILE HG12 . 34865 1 324 . 1 . 1 41 41 ILE HG21 H 1 1.152 0.000 . . . . . . A 41 ILE HG21 . 34865 1 325 . 1 . 1 41 41 ILE HG22 H 1 1.152 0.000 . . . . . . A 41 ILE HG22 . 34865 1 326 . 1 . 1 41 41 ILE HG23 H 1 1.152 0.000 . . . . . . A 41 ILE HG23 . 34865 1 327 . 1 . 1 41 41 ILE HD11 H 1 0.838 0.000 . . . . . . A 41 ILE HD11 . 34865 1 328 . 1 . 1 41 41 ILE HD12 H 1 0.838 0.000 . . . . . . A 41 ILE HD12 . 34865 1 329 . 1 . 1 41 41 ILE HD13 H 1 0.838 0.000 . . . . . . A 41 ILE HD13 . 34865 1 330 . 1 . 1 41 41 ILE CA C 13 60.742 0.012 . . . . . . A 41 ILE CA . 34865 1 331 . 1 . 1 41 41 ILE CB C 13 35.475 0.006 . . . . . . A 41 ILE CB . 34865 1 332 . 1 . 1 41 41 ILE N N 15 119.991 0.047 . . . . . . A 41 ILE N . 34865 1 333 . 1 . 1 42 42 ALA H H 1 7.866 0.010 . . . . . . A 42 ALA H . 34865 1 334 . 1 . 1 42 42 ALA HA H 1 4.114 0.007 . . . . . . A 42 ALA HA . 34865 1 335 . 1 . 1 42 42 ALA HB1 H 1 1.389 0.001 . . . . . . A 42 ALA HB1 . 34865 1 336 . 1 . 1 42 42 ALA HB2 H 1 1.389 0.001 . . . . . . A 42 ALA HB2 . 34865 1 337 . 1 . 1 42 42 ALA HB3 H 1 1.389 0.001 . . . . . . A 42 ALA HB3 . 34865 1 338 . 1 . 1 42 42 ALA CA C 13 51.091 0.009 . . . . . . A 42 ALA CA . 34865 1 339 . 1 . 1 42 42 ALA CB C 13 15.743 0.002 . . . . . . A 42 ALA CB . 34865 1 340 . 1 . 1 42 42 ALA N N 15 123.458 0.132 . . . . . . A 42 ALA N . 34865 1 341 . 1 . 1 43 43 LYS H H 1 7.771 0.012 . . . . . . A 43 LYS H . 34865 1 342 . 1 . 1 43 43 LYS HA H 1 4.116 0.022 . . . . . . A 43 LYS HA . 34865 1 343 . 1 . 1 43 43 LYS HB2 H 1 1.835 0.005 . . . . . . A 43 LYS HB2 . 34865 1 344 . 1 . 1 43 43 LYS HB3 H 1 1.634 0.000 . . . . . . A 43 LYS HB3 . 34865 1 345 . 1 . 1 43 43 LYS CA C 13 54.787 0.017 . . . . . . A 43 LYS CA . 34865 1 346 . 1 . 1 43 43 LYS CB C 13 29.960 0.004 . . . . . . A 43 LYS CB . 34865 1 347 . 1 . 1 43 43 LYS N N 15 118.558 0.032 . . . . . . A 43 LYS N . 34865 1 348 . 1 . 1 44 44 GLU H H 1 7.929 0.017 . . . . . . A 44 GLU H . 34865 1 349 . 1 . 1 44 44 GLU HA H 1 4.140 0.006 . . . . . . A 44 GLU HA . 34865 1 350 . 1 . 1 44 44 GLU HB2 H 1 1.983 0.001 . . . . . . A 44 GLU HB2 . 34865 1 351 . 1 . 1 44 44 GLU HG2 H 1 2.197 0.000 . . . . . . A 44 GLU HG2 . 34865 1 352 . 1 . 1 44 44 GLU HG3 H 1 2.317 0.000 . . . . . . A 44 GLU HG3 . 34865 1 353 . 1 . 1 44 44 GLU CA C 13 54.425 0.003 . . . . . . A 44 GLU CA . 34865 1 354 . 1 . 1 44 44 GLU CB C 13 27.321 0.080 . . . . . . A 44 GLU CB . 34865 1 355 . 1 . 1 44 44 GLU N N 15 119.538 0.058 . . . . . . A 44 GLU N . 34865 1 356 . 1 . 1 45 45 ARG H H 1 7.930 0.015 . . . . . . A 45 ARG H . 34865 1 357 . 1 . 1 45 45 ARG HA H 1 4.233 0.007 . . . . . . A 45 ARG HA . 34865 1 358 . 1 . 1 45 45 ARG HB2 H 1 1.770 0.005 . . . . . . A 45 ARG HB2 . 34865 1 359 . 1 . 1 45 45 ARG HB3 H 1 1.575 0.017 . . . . . . A 45 ARG HB3 . 34865 1 360 . 1 . 1 45 45 ARG CA C 13 53.904 0.048 . . . . . . A 45 ARG CA . 34865 1 361 . 1 . 1 45 45 ARG CB C 13 27.924 0.025 . . . . . . A 45 ARG CB . 34865 1 362 . 1 . 1 45 45 ARG N N 15 120.439 0.038 . . . . . . A 45 ARG N . 34865 1 363 . 1 . 1 46 46 VAL H H 1 7.901 0.007 . . . . . . A 46 VAL H . 34865 1 364 . 1 . 1 46 46 VAL HA H 1 4.009 0.010 . . . . . . A 46 VAL HA . 34865 1 365 . 1 . 1 46 46 VAL HB H 1 2.004 0.000 . . . . . . A 46 VAL HB . 34865 1 366 . 1 . 1 46 46 VAL HG11 H 1 0.891 0.000 . . . . . . A 46 VAL HG11 . 34865 1 367 . 1 . 1 46 46 VAL HG12 H 1 0.891 0.000 . . . . . . A 46 VAL HG12 . 34865 1 368 . 1 . 1 46 46 VAL HG13 H 1 0.891 0.000 . . . . . . A 46 VAL HG13 . 34865 1 369 . 1 . 1 46 46 VAL HG21 H 1 0.891 0.000 . . . . . . A 46 VAL HG21 . 34865 1 370 . 1 . 1 46 46 VAL HG22 H 1 0.891 0.000 . . . . . . A 46 VAL HG22 . 34865 1 371 . 1 . 1 46 46 VAL HG23 H 1 0.891 0.000 . . . . . . A 46 VAL HG23 . 34865 1 372 . 1 . 1 46 46 VAL CA C 13 59.900 0.002 . . . . . . A 46 VAL CA . 34865 1 373 . 1 . 1 46 46 VAL CB C 13 29.812 0.002 . . . . . . A 46 VAL CB . 34865 1 374 . 1 . 1 46 46 VAL N N 15 121.182 0.049 . . . . . . A 46 VAL N . 34865 1 375 . 1 . 1 47 47 ILE H H 1 8.139 0.003 . . . . . . A 47 ILE H . 34865 1 376 . 1 . 1 47 47 ILE HA H 1 4.081 0.010 . . . . . . A 47 ILE HA . 34865 1 377 . 1 . 1 47 47 ILE HB H 1 1.783 0.001 . . . . . . A 47 ILE HB . 34865 1 378 . 1 . 1 47 47 ILE HG12 H 1 1.128 0.003 . . . . . . A 47 ILE HG12 . 34865 1 379 . 1 . 1 47 47 ILE HG21 H 1 1.417 0.000 . . . . . . A 47 ILE HG21 . 34865 1 380 . 1 . 1 47 47 ILE HG22 H 1 1.417 0.000 . . . . . . A 47 ILE HG22 . 34865 1 381 . 1 . 1 47 47 ILE HG23 H 1 1.417 0.000 . . . . . . A 47 ILE HG23 . 34865 1 382 . 1 . 1 47 47 ILE HD11 H 1 0.840 0.000 . . . . . . A 47 ILE HD11 . 34865 1 383 . 1 . 1 47 47 ILE HD12 H 1 0.840 0.000 . . . . . . A 47 ILE HD12 . 34865 1 384 . 1 . 1 47 47 ILE HD13 H 1 0.840 0.000 . . . . . . A 47 ILE HD13 . 34865 1 385 . 1 . 1 47 47 ILE CA C 13 58.228 0.003 . . . . . . A 47 ILE CA . 34865 1 386 . 1 . 1 47 47 ILE CB C 13 35.782 0.007 . . . . . . A 47 ILE CB . 34865 1 387 . 1 . 1 47 47 ILE N N 15 125.268 0.050 . . . . . . A 47 ILE N . 34865 1 388 . 1 . 1 48 48 LYS H H 1 8.281 0.005 . . . . . . A 48 LYS H . 34865 1 389 . 1 . 1 48 48 LYS HA H 1 4.282 0.007 . . . . . . A 48 LYS HA . 34865 1 390 . 1 . 1 48 48 LYS HB2 H 1 1.841 0.000 . . . . . . A 48 LYS HB2 . 34865 1 391 . 1 . 1 48 48 LYS HB3 H 1 1.675 0.001 . . . . . . A 48 LYS HB3 . 34865 1 392 . 1 . 1 48 48 LYS HG2 H 1 1.381 0.000 . . . . . . A 48 LYS HG2 . 34865 1 393 . 1 . 1 48 48 LYS HG3 H 1 1.381 0.000 . . . . . . A 48 LYS HG3 . 34865 1 394 . 1 . 1 48 48 LYS CA C 13 53.533 0.006 . . . . . . A 48 LYS CA . 34865 1 395 . 1 . 1 48 48 LYS CB C 13 30.332 0.001 . . . . . . A 48 LYS CB . 34865 1 396 . 1 . 1 48 48 LYS N N 15 126.691 0.035 . . . . . . A 48 LYS N . 34865 1 397 . 1 . 1 49 49 GLN H H 1 7.984 0.008 . . . . . . A 49 GLN H . 34865 1 398 . 1 . 1 49 49 GLN HA H 1 4.091 0.008 . . . . . . A 49 GLN HA . 34865 1 399 . 1 . 1 49 49 GLN HB2 H 1 2.011 0.000 . . . . . . A 49 GLN HB2 . 34865 1 400 . 1 . 1 49 49 GLN HG2 H 1 2.227 0.000 . . . . . . A 49 GLN HG2 . 34865 1 401 . 1 . 1 49 49 GLN CA C 13 54.619 0.000 . . . . . . A 49 GLN CA . 34865 1 402 . 1 . 1 49 49 GLN CB C 13 27.669 0.000 . . . . . . A 49 GLN CB . 34865 1 403 . 1 . 1 49 49 GLN N N 15 127.820 0.019 . . . . . . A 49 GLN N . 34865 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 34865 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _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 N #INAME 2 H #INAME 3 HN #SPECTRUM N15NOESY N H HN 1 121.619 8.813 7.980 1 U 7.330000E+06 0.000000E+00 a 0 0 0 0 2 121.147 8.818 8.223 1 U 3.567000E+07 0.000000E+00 a 0 0 640 0 3 120.540 8.810 8.100 1 U 7.007000E+06 0.000000E+00 a 0 596 640 597 4 119.594 8.811 7.723 1 U 1.045000E+07 0.000000E+00 a 0 0 0 0 6 118.553 8.818 7.857 1 U 4.662000E+07 0.000000E+00 a 0 0 640 659 7 118.437 8.818 8.818 1 U 2.362000E+08 0.000000E+00 a 0 639 640 640 10 118.389 8.783 8.454 1 U 8.659000E+06 0.000000E+00 a 0 0 0 0 11 121.228 8.751 8.752 1 U 1.103000E+08 0.000000E+00 a 0 321 322 322 12 120.678 8.752 7.964 1 U 1.874000E+07 0.000000E+00 a 0 0 0 0 13 118.044 8.750 7.951 1 U 8.150000E+06 0.000000E+00 a 0 293 322 294 14 116.057 8.750 8.183 1 U 3.318000E+07 0.000000E+00 a 0 310 322 311 16 120.725 8.741 7.588 1 U 6.308000E+06 0.000000E+00 a 0 709 0 710 23 123.599 8.648 8.654 1 U 1.082000E+08 0.000000E+00 a 0 472 473 473 25 118.811 8.650 8.380 1 U 6.352000E+06 0.000000E+00 a 0 0 0 0 26 118.075 8.645 8.461 1 U 3.085000E+07 0.000000E+00 a 0 0 473 458 29 121.636 8.632 7.960 1 U 1.477000E+07 0.000000E+00 a 0 536 495 537 33 119.368 8.625 7.714 1 U 4.742000E+07 0.000000E+00 a 0 519 473 520 34 118.488 8.621 8.619 1 U 1.538000E+08 0.000000E+00 a 0 494 495 495 35 118.270 8.625 8.250 1 U 6.518000E+06 0.000000E+00 a 0 0 0 0 43 122.764 8.503 8.504 1 U 5.496000E+07 0.000000E+00 a 0 18 19 19 49 123.605 8.457 8.653 1 U 2.176000E+07 0.000000E+00 a 0 472 458 473 50 120.124 8.441 7.715 1 U 3.581000E+07 0.000000E+00 a 0 432 458 433 52 118.128 8.457 8.459 1 U 2.135000E+08 0.000000E+00 a 0 457 458 458 61 121.123 8.421 8.748 1 U 5.250000E+06 0.000000E+00 a 0 0 0 0 62 120.991 8.420 8.420 1 U 3.398000E+08 0.000000E+00 a 0 730 731 731 65 119.867 8.413 7.850 1 U 1.902000E+07 0.000000E+00 a 0 0 0 0 66 118.675 8.413 8.104 1 U 6.499000E+07 0.000000E+00 a 0 0 731 744 67 118.632 8.424 7.851 1 U 8.162000E+06 0.000000E+00 a 0 0 731 659 68 118.485 8.429 8.619 1 U 1.104000E+07 0.000000E+00 a 0 0 0 495 73 121.461 8.392 8.061 1 U 1.468000E+07 0.000000E+00 a 0 0 137 78 74 121.507 8.410 7.976 1 U 5.661000E+07 0.000000E+00 a 0 0 0 0 76 120.673 8.409 7.586 1 U 7.462000E+06 0.000000E+00 a 0 0 731 710 77 119.999 8.410 8.042 1 U 8.841000E+06 0.000000E+00 a 0 0 731 782 83 117.857 8.392 8.392 1 U 1.614000E+08 0.000000E+00 a 0 136 137 137 98 126.680 8.273 9.504 1 U 7.820000E+06 0.000000E+00 a 0 0 0 0 101 126.660 8.277 8.277 1 U 2.824000E+09 0.000000E+00 a 0 919 920 920 109 122.634 8.292 8.294 1 U 1.368000E+08 0.000000E+00 a 0 37 38 38 111 118.685 8.278 8.103 1 U 1.725000E+07 0.000000E+00 a 0 0 0 0 113 118.048 8.279 7.954 1 U 5.153000E+07 0.000000E+00 a 0 0 272 294 121 122.164 8.268 7.685 1 U 3.202000E+07 0.000000E+00 a 0 0 0 0 122 121.894 8.265 8.267 1 U 2.058000E+08 0.000000E+00 a 0 271 272 272 123 121.657 8.268 7.965 1 U 5.621000E+07 0.000000E+00 a 0 0 0 0 128 119.854 8.263 7.850 1 U 3.477000E+07 0.000000E+00 a 0 0 0 0 131 118.270 8.250 8.253 1 U 1.769000E+08 0.000000E+00 a 0 553 554 554 137 121.134 8.217 8.222 1 U 1.698000E+08 0.000000E+00 a 0 0 0 0 139 120.418 8.235 8.240 1 U 3.190000E+08 0.000000E+00 a 0 0 0 0 141 119.597 8.241 7.942 1 U 7.213000E+07 0.000000E+00 a 0 0 0 838 143 119.121 8.232 7.830 1 U 1.761000E+07 0.000000E+00 a 0 0 0 0 144 118.922 8.218 8.218 1 U 4.385000E+08 0.000000E+00 a 0 176 177 177 146 118.441 8.220 8.818 1 U 5.250000E+07 0.000000E+00 a 0 0 0 640 147 118.420 8.233 7.399 1 U 3.565000E+07 0.000000E+00 a 0 0 554 572 159 121.871 8.200 8.202 1 U 2.340000E+08 0.000000E+00 a 0 0 0 0 161 120.576 8.213 7.712 1 U 4.359000E+07 0.000000E+00 a 0 0 152 190 163 118.825 8.204 8.385 1 U 7.957000E+06 0.000000E+00 a 0 0 0 0 173 123.548 8.174 7.875 1 U 5.978000E+07 0.000000E+00 a 0 802 0 803 175 121.215 8.181 8.752 1 U 2.939000E+07 0.000000E+00 a 0 0 0 322 176 120.732 8.180 7.586 1 U 7.017000E+06 0.000000E+00 a 0 0 0 0 177 120.507 8.183 7.948 1 U 8.822000E+07 0.000000E+00 a 0 0 0 0 179 118.075 8.176 7.955 1 U 5.219000E+07 0.000000E+00 a 0 293 311 294 182 116.074 8.181 8.181 1 U 2.582000E+08 0.000000E+00 a 0 310 311 311 184 114.932 8.178 8.078 1 U 3.691000E+07 0.000000E+00 a 0 0 0 0 194 125.227 8.137 8.137 1 U 3.061000E+09 0.000000E+00 a 0 898 899 899 196 124.342 8.144 8.144 1 U 5.914000E+08 0.000000E+00 a 0 101 102 102 198 123.601 8.138 8.654 1 U 1.425000E+07 0.000000E+00 a 0 0 0 0 201 121.830 8.138 8.268 1 U 3.304000E+07 0.000000E+00 a 0 271 311 272 204 119.430 8.143 7.716 1 U 4.755000E+07 0.000000E+00 a 0 519 0 520 205 118.517 8.153 8.617 1 U 2.127000E+07 0.000000E+00 a 0 0 0 495 206 118.553 8.159 7.856 1 U 3.148000E+07 0.000000E+00 a 0 0 0 0 207 118.087 8.146 8.462 1 U 8.205000E+06 0.000000E+00 a 0 0 0 0 222 121.556 8.119 7.973 1 U 4.915000E+07 0.000000E+00 a 0 0 0 0 226 118.408 8.120 7.401 1 U 4.196000E+07 0.000000E+00 a 0 0 597 572 227 118.276 8.111 8.249 1 U 3.213000E+07 0.000000E+00 a 0 553 0 554 241 121.017 8.101 8.420 1 U 6.637000E+07 0.000000E+00 a 0 0 744 731 243 120.456 8.102 8.098 1 U 2.764000E+08 0.000000E+00 a 0 596 597 597 244 119.876 8.078 7.852 1 U 1.257000E+08 0.000000E+00 a 0 0 0 0 248 118.681 8.096 8.380 1 U 6.531000E+06 0.000000E+00 a 0 0 0 0 249 118.681 8.100 8.104 1 U 4.699000E+08 0.000000E+00 a 0 743 744 744 250 118.562 8.085 7.783 1 U 7.065000E+07 0.000000E+00 a 0 0 0 0 263 122.185 8.048 8.047 1 U 3.346000E+08 0.000000E+00 a 0 0 0 0 264 121.822 8.073 8.201 1 U 3.495000E+07 0.000000E+00 a 0 0 0 0 271 120.639 8.056 7.586 1 U 8.988000E+06 0.000000E+00 a 0 0 0 0 274 119.739 8.055 8.240 1 U 1.968000E+07 0.000000E+00 a 0 0 0 0 275 118.898 8.061 8.217 1 U 4.140000E+07 0.000000E+00 a 0 0 0 0 277 117.791 8.062 8.392 1 U 1.676000E+07 0.000000E+00 a 0 136 78 137 281 115.015 8.072 8.077 1 U 5.699000E+07 0.000000E+00 a 0 0 0 0 292 123.544 8.041 7.876 1 U 9.877000E+07 0.000000E+00 a 0 802 782 803 296 119.973 8.041 8.043 1 U 6.323000E+08 0.000000E+00 a 0 781 782 782 307 122.162 8.001 7.686 1 U 1.573000E+07 0.000000E+00 a 0 0 0 0 310 120.646 8.005 7.716 1 U 4.352000E+07 0.000000E+00 a 0 189 212 190 311 119.209 8.018 7.822 1 U 8.125000E+07 0.000000E+00 a 0 233 212 234 312 118.119 8.005 8.004 1 U 2.414000E+08 0.000000E+00 a 0 211 212 212 332 127.805 7.977 7.978 1 U 7.656000E+09 0.000000E+00 a 0 944 945 945 344 121.535 7.971 7.974 1 U 4.833000E+08 0.000000E+00 a 0 250 251 251 346 121.010 7.979 8.420 1 U 5.830000E+07 0.000000E+00 a 0 0 0 0 348 119.458 7.972 7.718 1 U 9.153000E+07 0.000000E+00 a 0 0 0 0 349 118.478 7.969 8.616 1 U 7.373000E+06 0.000000E+00 a 0 494 537 495 350 118.446 7.965 7.402 1 U 1.286000E+07 0.000000E+00 a 0 0 0 0 352 118.109 7.978 8.462 1 U 6.292000E+06 0.000000E+00 a 0 0 0 0 357 114.911 7.968 8.079 1 U 4.730000E+06 0.000000E+00 a 0 0 0 0 373 121.830 7.952 8.268 1 U 3.131000E+07 0.000000E+00 a 0 0 251 272 374 121.806 7.947 8.191 1 U 6.765000E+07 0.000000E+00 a 0 0 0 0 375 121.618 7.954 7.954 1 U 4.472000E+08 0.000000E+00 a 0 536 537 537 376 121.228 7.947 8.750 1 U 4.156000E+07 0.000000E+00 a 0 0 0 0 381 120.476 7.948 9.170 1 U 5.436000E+06 0.000000E+00 a 0 0 0 0 382 120.475 7.944 7.947 1 U 1.674000E+09 0.000000E+00 a 0 854 855 855 384 119.689 7.960 8.243 1 U 1.432000E+07 0.000000E+00 a 0 0 0 0 387 119.566 7.943 7.943 1 U 1.324000E+09 0.000000E+00 a 0 837 838 838 388 118.778 7.956 8.382 1 U 1.765000E+07 0.000000E+00 a 0 0 0 0 391 118.257 7.965 8.247 1 U 3.246000E+07 0.000000E+00 a 0 0 537 554 392 118.111 7.953 7.953 1 U 2.067000E+08 0.000000E+00 a 0 293 294 294 395 116.087 7.950 8.183 1 U 5.703000E+07 0.000000E+00 a 0 310 294 311 407 125.226 7.918 8.136 1 U 9.284000E+07 0.000000E+00 a 0 898 881 899 410 122.188 7.909 8.049 1 U 8.306000E+07 0.000000E+00 a 0 0 0 0 411 120.716 7.928 7.588 1 U 3.231000E+07 0.000000E+00 a 0 0 0 710 414 118.927 7.914 7.466 1 U 2.839000E+07 0.000000E+00 a 0 386 0 387 415 118.548 7.921 7.783 1 U 1.278000E+08 0.000000E+00 a 0 812 838 813 435 121.164 7.903 7.904 1 U 2.234000E+09 0.000000E+00 a 0 880 881 881 447 123.546 7.874 7.877 1 U 8.401000E+08 0.000000E+00 a 0 802 803 803 452 121.012 7.862 8.419 1 U 2.815000E+07 0.000000E+00 a 0 0 803 731 453 120.632 7.867 7.714 1 U 4.325000E+07 0.000000E+00 a 0 0 0 0 455 119.956 7.863 8.043 1 U 1.547000E+08 0.000000E+00 a 0 0 763 782 456 119.860 7.854 7.854 1 U 5.128000E+08 0.000000E+00 a 0 762 763 763 457 118.693 7.857 8.104 1 U 9.553000E+07 0.000000E+00 a 0 0 0 744 458 118.444 7.859 8.819 1 U 4.367000E+07 0.000000E+00 a 0 0 659 640 459 118.546 7.859 7.859 1 U 3.325000E+08 0.000000E+00 a 0 658 659 659 470 122.139 7.831 7.683 1 U 5.580000E+07 0.000000E+00 a 0 0 0 366 472 121.868 7.836 8.272 1 U 1.713000E+07 0.000000E+00 a 0 271 234 272 475 119.725 7.836 8.239 1 U 2.285000E+07 0.000000E+00 a 0 0 0 0 476 119.590 7.845 7.724 1 U 7.327000E+07 0.000000E+00 a 0 0 0 0 477 118.921 7.835 8.212 1 U 2.151000E+07 0.000000E+00 a 0 0 0 0 478 118.172 7.831 8.001 1 U 4.592000E+07 0.000000E+00 a 0 0 0 0 487 120.158 7.813 7.813 1 U 1.515000E+08 0.000000E+00 a 0 0 0 0 489 119.173 7.817 7.821 1 U 3.176000E+08 0.000000E+00 a 0 233 234 234 496 120.699 7.777 7.588 1 U 5.912000E+07 0.000000E+00 a 0 709 0 710 497 120.465 7.784 8.099 1 U 5.384000E+07 0.000000E+00 a 0 596 0 597 498 119.583 7.791 7.943 1 U 1.366000E+08 0.000000E+00 a 0 0 0 0 499 118.572 7.783 7.783 1 U 8.321000E+08 0.000000E+00 a 0 812 813 813 510 118.552 7.741 7.855 1 U 7.634000E+07 0.000000E+00 a 0 0 0 0 518 123.615 7.720 8.653 1 U 9.508000E+06 0.000000E+00 a 0 472 520 473 520 121.466 7.722 8.061 1 U 9.921000E+06 0.000000E+00 a 0 0 0 78 521 121.577 7.721 7.969 1 U 8.478000E+07 0.000000E+00 a 0 536 520 537 524 121.242 7.738 8.751 1 U 7.182000E+06 0.000000E+00 a 0 0 0 0 525 120.996 7.730 8.418 1 U 1.376000E+07 0.000000E+00 a 0 0 0 0 527 120.530 7.714 7.714 1 U 2.646000E+08 0.000000E+00 a 0 189 190 190 528 120.335 7.727 8.241 1 U 9.758000E+06 0.000000E+00 a 0 0 0 0 530 119.499 7.719 7.720 1 U 4.665000E+08 0.000000E+00 a 0 519 520 520 531 118.783 7.733 8.383 1 U 3.673000E+07 0.000000E+00 a 0 0 0 0 533 118.438 7.727 8.819 1 U 1.398000E+07 0.000000E+00 a 0 0 0 0 534 118.498 7.714 8.619 1 U 2.980000E+07 0.000000E+00 a 0 494 520 495 536 118.425 7.714 7.403 1 U 7.201000E+06 0.000000E+00 a 0 0 0 0 537 118.083 7.715 8.459 1 U 4.076000E+07 0.000000E+00 a 0 457 0 458 538 118.133 7.713 8.003 1 U 3.869000E+07 0.000000E+00 a 0 0 0 0 542 116.094 7.715 8.185 1 U 8.372000E+06 0.000000E+00 a 0 0 0 0 547 122.147 7.687 7.685 1 U 1.502000E+08 0.000000E+00 a 0 365 366 366 550 119.214 7.701 7.821 1 U 6.503000E+07 0.000000E+00 a 0 0 0 0 551 118.929 7.711 8.216 1 U 5.351000E+07 0.000000E+00 a 0 176 190 177 558 121.900 7.683 8.271 1 U 2.996000E+07 0.000000E+00 a 0 0 0 0 585 120.682 7.587 7.585 1 U 1.740000E+08 0.000000E+00 a 0 709 710 710 586 120.126 7.589 7.805 1 U 3.842000E+07 0.000000E+00 a 0 0 0 0 589 118.721 7.587 8.383 1 U 6.741000E+06 0.000000E+00 a 0 0 0 0 592 117.825 7.577 8.400 1 U 5.328000E+06 0.000000E+00 a 0 136 147 137 631 121.010 7.491 8.422 1 U 8.335000E+06 0.000000E+00 a 0 0 758 731 652 121.120 7.465 7.901 1 U 2.515000E+07 0.000000E+00 a 0 0 0 0 655 118.954 7.466 7.461 1 U 1.104000E+08 0.000000E+00 a 0 386 387 387 656 118.052 7.483 8.460 1 U 8.990000E+06 0.000000E+00 a 0 457 469 458 679 122.205 7.444 8.049 1 U 7.633000E+06 0.000000E+00 a 0 0 0 0 691 121.223 7.415 8.216 1 U 5.979000E+06 0.000000E+00 a 0 0 0 0 692 119.466 7.416 7.722 1 U 7.122000E+06 0.000000E+00 a 0 0 0 0 693 118.405 7.427 8.820 1 U 6.540000E+06 0.000000E+00 a 0 0 0 0 698 121.583 7.398 8.105 1 U 5.253000E+06 0.000000E+00 a 0 0 0 0 699 120.519 7.399 8.102 1 U 3.236000E+07 0.000000E+00 a 0 596 572 597 702 118.407 7.399 7.400 1 U 1.722000E+08 0.000000E+00 a 0 571 572 572 703 118.273 7.398 8.250 1 U 2.936000E+07 0.000000E+00 a 0 0 572 554 707 124.303 7.030 8.142 1 U 2.034000E+07 0.000000E+00 a 0 101 85 102 708 121.208 7.030 8.070 1 U 2.200000E+07 0.000000E+00 a 0 77 85 78 720 118.055 6.852 8.459 1 U 7.316000E+06 0.000000E+00 a 0 457 468 458 785 124.339 6.753 8.144 1 U 4.927000E+06 0.000000E+00 a 0 101 86 102 823 120.987 6.473 8.420 1 U 6.492000E+06 0.000000E+00 a 0 730 759 731 826 121.251 6.428 8.750 1 U 6.795000E+06 0.000000E+00 a 0 0 0 0 833 119.400 4.624 8.328 1 U 7.210000E+06 0.000000E+00 a 0 62 65 63 835 121.229 4.579 8.070 1 U 7.856000E+07 0.000000E+00 a 0 77 65 78 836 121.849 4.567 8.204 1 U 6.774000E+06 0.000000E+00 a 0 0 0 0 837 121.239 4.527 8.067 1 U 8.431000E+07 0.000000E+00 a 0 0 0 78 838 117.769 4.529 8.393 1 U 3.361000E+07 0.000000E+00 a 0 136 139 137 839 124.363 4.496 8.145 1 U 1.832000E+08 0.000000E+00 a 0 101 104 899 840 120.560 4.505 7.713 1 U 1.014000E+07 0.000000E+00 a 0 0 0 0 842 118.702 4.490 8.105 1 U 7.389000E+06 0.000000E+00 a 0 0 0 0 843 123.602 4.469 8.655 1 U 6.820000E+06 0.000000E+00 a 0 472 460 473 844 121.637 4.468 7.964 1 U 1.092000E+07 0.000000E+00 a 0 0 0 0 846 120.361 4.481 7.935 1 U 1.660000E+07 0.000000E+00 a 0 0 0 0 847 118.044 4.468 8.458 1 U 4.095000E+07 0.000000E+00 a 0 457 460 458 850 119.343 4.461 7.717 1 U 1.971000E+07 0.000000E+00 a 0 0 0 0 851 118.837 4.441 7.888 1 U 5.957000E+06 0.000000E+00 a 0 0 0 0 856 121.609 4.400 7.979 1 U 9.504000E+06 0.000000E+00 a 0 0 0 0 860 120.353 4.392 8.243 1 U 1.394000E+07 0.000000E+00 a 0 0 0 0 861 119.685 4.399 8.243 1 U 2.656000E+07 0.000000E+00 a 0 0 0 0 862 118.483 4.387 7.783 1 U 6.139000E+06 0.000000E+00 a 0 0 0 0 863 123.532 4.362 7.876 1 U 1.901000E+07 0.000000E+00 a 0 0 0 0 864 122.194 4.373 7.685 1 U 5.956000E+06 0.000000E+00 a 0 0 0 0 866 120.998 4.366 8.420 1 U 6.327000E+07 0.000000E+00 a 0 730 733 731 867 120.635 4.370 7.714 1 U 2.628000E+07 0.000000E+00 a 0 189 179 190 869 119.953 4.365 8.045 1 U 3.102000E+07 0.000000E+00 a 0 0 0 0 870 119.840 4.361 7.854 1 U 1.353000E+07 0.000000E+00 a 0 762 0 763 871 119.187 4.373 7.820 1 U 1.754000E+07 0.000000E+00 a 0 233 0 234 872 118.934 4.371 8.217 1 U 6.771000E+07 0.000000E+00 a 0 176 179 177 873 118.653 4.367 8.103 1 U 3.221000E+07 0.000000E+00 a 0 0 733 744 874 118.129 4.371 8.005 1 U 7.734000E+06 0.000000E+00 a 0 0 0 0 880 127.796 4.289 7.978 1 U 2.237000E+08 0.000000E+00 a 0 944 922 945 881 127.366 4.290 7.940 1 U 8.404000E+07 0.000000E+00 a 0 0 0 0 882 126.653 4.284 8.276 1 U 5.762000E+07 0.000000E+00 a 0 919 922 920 883 126.278 4.290 8.184 1 U 1.399000E+07 0.000000E+00 a 0 0 0 0 885 118.340 4.268 8.595 1 U 6.386000E+06 0.000000E+00 a 0 0 0 0 886 115.524 4.283 7.820 1 U 5.518000E+06 0.000000E+00 a 0 0 0 0 887 125.246 4.243 8.137 1 U 1.618000E+07 0.000000E+00 a 0 0 0 0 889 121.169 4.242 7.905 1 U 1.652000E+08 0.000000E+00 a 0 880 857 881 891 117.786 4.249 8.390 1 U 8.360000E+07 0.000000E+00 a 0 136 123 137 893 115.300 4.248 7.925 1 U 5.492000E+06 0.000000E+00 a 0 0 0 0 894 124.390 4.219 8.145 1 U 5.406000E+06 0.000000E+00 a 0 0 0 0 897 120.673 4.211 7.584 1 U 1.945000E+07 0.000000E+00 a 0 0 0 0 898 120.480 4.234 7.945 1 U 1.383000E+08 0.000000E+00 a 0 0 0 0 899 117.934 4.229 8.464 1 U 1.019000E+07 0.000000E+00 a 0 0 0 0 900 116.117 4.212 8.182 1 U 5.899000E+07 0.000000E+00 a 0 310 313 311 901 114.944 4.223 8.078 1 U 8.302000E+06 0.000000E+00 a 0 0 0 0 903 122.602 4.196 8.287 1 U 1.298000E+07 0.000000E+00 a 0 37 40 38 906 121.862 4.200 8.273 1 U 3.388000E+07 0.000000E+00 a 0 271 274 272 908 121.249 4.205 8.750 1 U 2.447000E+07 0.000000E+00 a 0 321 313 322 909 120.805 4.197 7.755 1 U 1.611000E+07 0.000000E+00 a 0 0 0 0 911 119.363 4.188 8.314 1 U 3.088000E+07 0.000000E+00 a 0 62 40 63 912 118.734 4.204 8.385 1 U 7.925000E+06 0.000000E+00 a 0 411 0 412 913 118.087 4.193 7.952 1 U 2.363000E+07 0.000000E+00 a 0 0 0 0 918 122.182 4.160 7.686 1 U 1.111000E+07 0.000000E+00 a 0 0 0 0 919 121.876 4.179 8.195 1 U 1.665000E+07 0.000000E+00 a 0 0 0 0 920 121.429 4.180 8.110 1 U 2.880000E+07 0.000000E+00 a 0 0 0 0 922 120.957 4.162 8.259 1 U 2.135000E+07 0.000000E+00 a 0 0 0 0 923 120.463 4.162 8.098 1 U 2.181000E+07 0.000000E+00 a 0 596 0 597 928 123.606 4.144 8.656 1 U 2.220000E+07 0.000000E+00 a 0 472 475 473 933 120.474 4.148 7.945 1 U 1.627000E+08 0.000000E+00 a 0 854 840 855 934 119.566 4.141 7.943 1 U 2.554000E+08 0.000000E+00 a 0 0 0 0 937 118.933 4.145 7.462 1 U 1.158000E+07 0.000000E+00 a 0 386 0 387 938 118.584 4.131 7.855 1 U 7.504000E+07 0.000000E+00 a 0 658 661 659 939 118.493 4.131 8.620 1 U 1.617000E+07 0.000000E+00 a 0 494 475 495 940 127.817 4.100 7.970 1 U 4.699000E+07 0.000000E+00 a 0 944 947 945 944 123.536 4.121 7.878 1 U 1.511000E+08 0.000000E+00 a 0 802 805 803 945 121.784 4.102 8.278 1 U 1.836000E+07 0.000000E+00 a 0 0 0 0 946 121.642 4.106 7.965 1 U 5.709000E+07 0.000000E+00 a 0 0 0 0 950 120.988 4.122 8.419 1 U 4.223000E+07 0.000000E+00 a 0 730 0 731 951 118.483 4.115 8.814 1 U 1.247000E+07 0.000000E+00 a 0 0 0 0 952 118.572 4.121 7.783 1 U 2.136000E+08 0.000000E+00 a 0 812 815 813 953 118.349 4.122 8.248 1 U 1.615000E+07 0.000000E+00 a 0 0 0 0 957 127.382 4.095 7.939 1 U 2.483000E+07 0.000000E+00 a 0 0 0 0 958 126.651 4.091 8.277 1 U 2.168000E+08 0.000000E+00 a 0 0 0 0 959 123.183 4.074 8.125 1 U 5.501000E+06 0.000000E+00 a 0 0 0 0 963 120.514 4.088 8.103 1 U 2.510000E+07 0.000000E+00 a 0 0 0 0 965 119.952 4.096 8.045 1 U 7.139000E+07 0.000000E+00 a 0 0 746 782 966 119.863 4.092 7.853 1 U 1.510000E+08 0.000000E+00 a 0 762 746 763 967 119.436 4.070 7.719 1 U 1.057000E+08 0.000000E+00 a 0 519 522 520 969 118.669 4.089 8.104 1 U 1.373000E+08 0.000000E+00 a 0 743 746 744 970 118.418 4.083 7.401 1 U 2.358000E+07 0.000000E+00 a 0 0 0 0 975 126.277 4.055 8.185 1 U 4.703000E+07 0.000000E+00 a 0 0 0 0 981 120.746 4.052 7.751 1 U 5.071000E+07 0.000000E+00 a 0 0 0 0 982 120.651 4.049 7.718 1 U 5.614000E+07 0.000000E+00 a 0 189 192 190 983 120.701 4.055 7.588 1 U 2.335000E+07 0.000000E+00 a 0 0 0 0 984 119.182 4.044 7.820 1 U 9.463000E+07 0.000000E+00 a 0 233 236 234 985 118.756 4.065 8.386 1 U 1.468000E+07 0.000000E+00 a 0 411 0 412 987 118.067 4.064 8.457 1 U 2.181000E+07 0.000000E+00 a 0 0 0 0 988 118.070 4.051 7.956 1 U 7.882000E+07 0.000000E+00 a 0 293 296 294 993 114.493 4.054 7.722 1 U 8.564000E+06 0.000000E+00 a 0 0 0 0 995 125.223 4.017 8.137 1 U 2.691000E+08 0.000000E+00 a 0 898 883 899 1000 122.137 4.036 7.684 1 U 4.148000E+07 0.000000E+00 a 0 365 343 366 1001 121.881 4.023 8.274 1 U 3.894000E+07 0.000000E+00 a 0 0 0 0 1004 121.172 4.016 7.904 1 U 9.323000E+07 0.000000E+00 a 0 880 883 881 1007 119.692 4.027 8.242 1 U 2.871000E+07 0.000000E+00 a 0 0 0 0 1012 118.375 4.021 8.662 1 U 1.037000E+07 0.000000E+00 a 0 0 0 0 1013 118.120 4.025 8.001 1 U 6.546000E+07 0.000000E+00 a 0 0 0 0 1015 116.673 4.026 7.474 1 U 6.137000E+06 0.000000E+00 a 0 0 0 0 1016 115.548 4.035 7.826 1 U 1.521000E+07 0.000000E+00 a 0 0 0 0 1017 115.355 4.023 7.924 1 U 1.246000E+07 0.000000E+00 a 0 0 0 0 1018 114.947 4.023 8.078 1 U 1.340000E+07 0.000000E+00 a 0 0 0 0 1019 127.365 4.009 8.202 1 U 4.499000E+06 0.000000E+00 a 0 0 0 0 1022 121.222 3.988 8.753 1 U 3.972000E+07 0.000000E+00 a 0 321 324 322 1025 116.091 4.011 8.182 1 U 1.109000E+08 0.000000E+00 a 0 310 296 311 1030 121.643 3.978 7.964 1 U 7.489000E+07 0.000000E+00 a 0 0 0 0 1032 121.249 3.967 8.210 1 U 4.596000E+07 0.000000E+00 a 0 0 0 0 1033 120.543 3.973 8.104 1 U 4.798000E+07 0.000000E+00 a 0 596 0 597 1035 118.933 3.978 7.462 1 U 1.831000E+07 0.000000E+00 a 0 386 389 387 1037 118.440 3.962 8.818 1 U 4.920000E+07 0.000000E+00 a 0 494 620 640 1038 118.418 3.967 7.401 1 U 4.501000E+07 0.000000E+00 a 0 571 574 572 1039 118.235 3.964 8.251 1 U 2.273000E+07 0.000000E+00 a 0 553 539 554 1041 124.438 3.947 8.150 1 U 4.940000E+06 0.000000E+00 a 0 0 0 0 1042 121.454 3.940 8.062 1 U 3.589000E+07 0.000000E+00 a 0 0 0 0 1043 118.938 3.940 8.216 1 U 4.041000E+07 0.000000E+00 a 0 0 0 0 1045 121.556 3.878 7.978 1 U 3.896000E+07 0.000000E+00 a 0 0 0 0 1046 120.055 3.879 7.715 1 U 4.194000E+07 0.000000E+00 a 0 432 435 433 1048 118.119 3.881 8.457 1 U 1.918000E+07 0.000000E+00 a 0 457 435 458 1049 123.549 3.861 7.877 1 U 7.327000E+07 0.000000E+00 a 0 802 784 803 1051 120.997 3.866 8.420 1 U 2.171000E+07 0.000000E+00 a 0 0 0 0 1052 119.967 3.861 8.044 1 U 8.742000E+07 0.000000E+00 a 0 781 784 782 1053 119.876 3.862 7.853 1 U 1.582000E+07 0.000000E+00 a 0 0 0 0 1054 119.614 3.853 7.942 1 U 4.145000E+07 0.000000E+00 a 0 837 0 838 1055 119.481 3.857 7.716 1 U 3.134000E+07 0.000000E+00 a 0 519 497 520 1056 118.576 3.867 7.859 1 U 2.070000E+07 0.000000E+00 a 0 658 642 659 1057 118.556 3.857 7.784 1 U 1.279000E+07 0.000000E+00 a 0 812 0 813 1058 118.426 3.865 8.818 1 U 4.731000E+07 0.000000E+00 a 0 639 642 640 1061 118.811 3.823 8.384 1 U 1.811000E+07 0.000000E+00 a 0 411 0 412 1062 118.487 3.829 8.618 1 U 3.210000E+07 0.000000E+00 a 0 494 497 495 1063 118.400 3.824 7.403 1 U 9.085000E+06 0.000000E+00 a 0 0 0 0 1065 120.651 3.809 7.587 1 U 1.523000E+07 0.000000E+00 a 0 709 687 710 1067 118.275 3.817 8.250 1 U 2.106000E+07 0.000000E+00 a 0 0 0 0 1069 121.519 3.754 7.980 1 U 5.199000E+07 0.000000E+00 a 0 536 0 537 1070 121.172 3.739 8.750 1 U 7.339000E+06 0.000000E+00 a 0 0 0 0 1071 121.018 3.745 8.422 1 U 3.055000E+07 0.000000E+00 a 0 730 712 731 1073 119.865 3.752 7.853 1 U 2.738000E+07 0.000000E+00 a 0 762 0 763 1075 118.685 3.759 8.105 1 U 1.092000E+07 0.000000E+00 a 0 0 0 0 1076 118.658 3.753 7.854 1 U 7.128000E+06 0.000000E+00 a 0 0 0 0 1077 122.121 3.723 7.684 1 U 3.791000E+07 0.000000E+00 a 0 365 368 366 1078 121.873 3.728 8.271 1 U 1.255000E+07 0.000000E+00 a 0 271 253 272 1080 119.159 3.732 7.824 1 U 1.048000E+07 0.000000E+00 a 0 233 253 234 1081 118.089 3.723 7.956 1 U 6.499000E+06 0.000000E+00 a 0 0 0 0 1082 116.078 3.724 8.183 1 U 1.721000E+07 0.000000E+00 a 0 310 315 311 1083 120.745 3.665 7.753 1 U 1.167000E+07 0.000000E+00 a 0 0 0 0 1084 120.705 3.663 7.588 1 U 4.021000E+07 0.000000E+00 a 0 709 0 710 1086 120.107 3.664 7.714 1 U 1.801000E+07 0.000000E+00 a 0 0 0 0 1087 118.085 3.665 8.457 1 U 1.310000E+07 0.000000E+00 a 0 0 0 0 1090 120.532 3.607 8.104 1 U 4.670000E+07 0.000000E+00 a 0 596 0 597 1091 119.638 3.620 7.724 1 U 9.860000E+06 0.000000E+00 a 0 0 0 0 1092 118.557 3.607 7.857 1 U 2.039000E+07 0.000000E+00 a 0 0 0 0 1093 118.431 3.613 8.817 1 U 7.052000E+06 0.000000E+00 a 0 0 0 0 1094 118.384 3.612 7.400 1 U 5.379000E+06 0.000000E+00 a 0 0 0 0 1095 124.385 3.528 8.147 1 U 1.536000E+07 0.000000E+00 a 0 101 132 102 1096 117.763 3.531 8.391 1 U 6.057000E+06 0.000000E+00 a 0 136 132 137 1097 124.398 3.396 8.147 1 U 1.601000E+07 0.000000E+00 a 0 101 133 102 1098 123.581 3.392 8.654 1 U 9.436000E+06 0.000000E+00 a 0 0 0 0 1099 121.561 3.381 7.962 1 U 8.619000E+06 0.000000E+00 a 0 0 0 0 1100 121.260 3.381 8.212 1 U 1.195000E+07 0.000000E+00 a 0 0 0 0 1101 120.029 3.389 7.723 1 U 9.169000E+06 0.000000E+00 a 0 432 414 433 1102 118.806 3.388 8.385 1 U 2.184000E+07 0.000000E+00 a 0 0 0 0 1103 118.497 3.389 8.616 1 U 7.948000E+06 0.000000E+00 a 0 0 0 0 1104 118.440 3.385 7.403 1 U 1.006000E+07 0.000000E+00 a 0 0 556 572 1105 118.423 3.385 8.818 1 U 1.372000E+07 0.000000E+00 a 0 0 0 0 1106 118.294 3.381 8.447 1 U 8.866000E+06 0.000000E+00 a 0 0 0 0 1107 118.293 3.383 8.251 1 U 3.716000E+07 0.000000E+00 a 0 553 556 554 1108 117.829 3.392 8.396 1 U 5.394000E+06 0.000000E+00 a 0 136 133 137 1109 121.198 3.148 8.074 1 U 6.763000E+06 0.000000E+00 a 0 0 0 0 1110 118.538 3.161 7.858 1 U 1.392000E+07 0.000000E+00 a 0 0 0 0 1111 121.149 3.132 7.905 1 U 5.089000E+06 0.000000E+00 a 0 0 0 0 1112 120.465 3.127 7.945 1 U 1.224000E+07 0.000000E+00 a 0 854 0 855 1115 124.342 2.908 8.145 1 U 4.655000E+07 0.000000E+00 a 0 101 0 102 1116 121.191 2.905 8.069 1 U 1.536000E+08 0.000000E+00 a 0 77 0 78 1117 119.976 2.903 8.045 1 U 5.347000E+06 0.000000E+00 a 0 0 0 0 1118 120.041 2.900 7.715 1 U 1.226000E+07 0.000000E+00 a 0 0 0 0 1119 119.928 2.906 7.856 1 U 4.954000E+06 0.000000E+00 a 0 0 0 0 1121 123.593 2.876 8.654 1 U 1.877000E+07 0.000000E+00 a 0 472 462 473 1122 121.640 2.882 7.966 1 U 9.244000E+06 0.000000E+00 a 0 0 0 0 1123 120.821 2.880 7.754 1 U 8.529000E+06 0.000000E+00 a 0 0 0 0 1124 119.442 2.886 7.719 1 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7.083000E+07 0.000000E+00 a 0 730 735 731 1150 120.251 2.646 8.243 1 U 2.658000E+07 0.000000E+00 a 0 0 0 0 1151 119.612 2.647 8.242 1 U 4.483000E+07 0.000000E+00 a 0 0 0 0 1153 121.250 2.635 8.069 1 U 1.810000E+07 0.000000E+00 a 0 77 67 78 1154 120.648 2.635 7.713 1 U 2.984000E+07 0.000000E+00 a 0 189 181 190 1155 118.930 2.638 8.217 1 U 1.053000E+08 0.000000E+00 a 0 0 0 0 1156 118.192 2.634 8.003 1 U 6.241000E+06 0.000000E+00 a 0 0 0 0 1161 121.004 2.612 8.420 1 U 6.732000E+07 0.000000E+00 a 0 730 0 731 1162 118.553 2.585 7.856 1 U 7.997000E+06 0.000000E+00 a 0 0 0 0 1163 119.987 2.577 8.044 1 U 7.640000E+06 0.000000E+00 a 0 0 0 0 1165 119.874 2.545 7.853 1 U 1.682000E+07 0.000000E+00 a 0 0 0 0 1167 118.665 2.546 8.105 1 U 7.143000E+07 0.000000E+00 a 0 743 736 744 1170 121.245 2.488 8.752 1 U 2.000000E+07 0.000000E+00 a 0 0 330 322 1172 118.436 2.449 8.817 1 U 2.969000E+07 0.000000E+00 a 0 639 648 640 1173 122.181 2.400 7.686 1 U 9.771000E+06 0.000000E+00 a 0 0 0 0 1174 121.826 2.401 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118.906 2.193 8.219 1 U 1.381000E+07 0.000000E+00 a 0 0 0 0 1222 117.791 2.198 8.392 1 U 1.997000E+07 0.000000E+00 a 0 136 125 137 1223 123.548 2.183 7.877 1 U 1.378000E+07 0.000000E+00 a 0 0 0 0 1227 119.997 2.170 8.044 1 U 5.655000E+07 0.000000E+00 a 0 781 767 782 1228 119.870 2.174 7.852 1 U 1.464000E+08 0.000000E+00 a 0 762 749 763 1231 121.674 2.151 7.963 1 U 1.717000E+08 0.000000E+00 a 0 536 545 537 1234 120.478 2.138 8.100 1 U 2.007000E+07 0.000000E+00 a 0 0 0 0 1235 118.680 2.153 8.104 1 U 1.207000E+08 0.000000E+00 a 0 743 753 744 1236 118.276 2.150 8.250 1 U 6.857000E+07 0.000000E+00 a 0 553 541 554 1238 119.374 2.129 7.718 1 U 1.463000E+08 0.000000E+00 a 0 519 528 520 1239 118.926 2.119 8.225 1 U 1.659000E+07 0.000000E+00 a 0 0 0 0 1243 123.548 2.095 7.875 1 U 1.488000E+07 0.000000E+00 a 0 0 0 0 1245 120.501 2.096 7.718 1 U 1.629000E+07 0.000000E+00 a 0 0 0 0 1246 119.963 2.096 8.043 1 U 5.685000E+07 0.000000E+00 a 0 781 768 782 1248 119.871 2.102 7.852 1 U 1.362000E+08 0.000000E+00 a 0 762 748 763 1249 119.185 2.101 7.822 1 U 9.981000E+07 0.000000E+00 a 0 233 238 234 1250 118.923 2.080 7.459 1 U 1.650000E+07 0.000000E+00 a 0 386 0 387 1258 122.150 2.065 7.684 1 U 3.688000E+07 0.000000E+00 a 0 365 345 366 1264 118.498 2.066 7.790 1 U 2.643000E+07 0.000000E+00 a 0 0 0 0 1265 118.064 2.061 7.955 1 U 9.975000E+07 0.000000E+00 a 0 0 0 0 1266 116.105 2.055 8.182 1 U 6.439000E+07 0.000000E+00 a 0 310 298 311 1267 115.350 2.073 7.925 1 U 6.597000E+06 0.000000E+00 a 0 0 0 0 1269 123.621 2.029 8.654 1 U 2.275000E+07 0.000000E+00 a 0 472 477 473 1274 118.410 2.039 7.400 1 U 3.893000E+07 0.000000E+00 a 0 0 558 572 1275 118.256 2.048 8.250 1 U 6.676000E+07 0.000000E+00 a 0 0 0 0 1277 114.943 2.035 8.081 1 U 7.264000E+06 0.000000E+00 a 0 0 0 0 1278 127.805 2.011 7.977 1 U 9.648000E+06 0.000000E+00 a 0 944 949 945 1279 127.385 2.014 7.938 1 U 7.930000E+06 0.000000E+00 a 0 0 0 0 1281 125.254 2.004 8.137 1 U 4.104000E+07 0.000000E+00 a 0 898 885 899 1285 121.171 2.004 7.904 1 U 1.166000E+08 0.000000E+00 a 0 0 0 0 1287 118.100 1.997 8.458 1 U 4.697000E+07 0.000000E+00 a 0 457 438 458 1289 115.575 2.012 7.825 1 U 7.509000E+06 0.000000E+00 a 0 0 0 0 1292 121.241 1.992 8.752 1 U 3.462000E+07 0.000000E+00 a 0 321 326 322 1293 120.428 1.984 7.945 1 U 7.761000E+07 0.000000E+00 a 0 854 842 855 1294 120.141 1.994 8.238 1 U 1.073000E+07 0.000000E+00 a 0 0 0 0 1295 119.590 1.982 7.943 1 U 2.039000E+08 0.000000E+00 a 0 837 842 838 1297 118.433 1.977 8.818 1 U 1.068000E+08 0.000000E+00 a 0 639 644 640 1298 124.376 1.944 8.146 1 U 4.775000E+07 0.000000E+00 a 0 0 0 0 1299 122.144 1.951 7.683 1 U 5.239000E+07 0.000000E+00 a 0 365 370 366 1303 121.252 1.958 8.212 1 U 9.101000E+07 0.000000E+00 a 0 0 0 0 1304 120.669 1.954 7.586 1 U 1.093000E+08 0.000000E+00 a 0 709 689 710 1305 120.119 1.948 7.805 1 U 3.218000E+07 0.000000E+00 a 0 0 0 0 1309 118.479 1.963 8.619 1 U 4.198000E+07 0.000000E+00 a 0 494 499 495 1311 123.193 1.924 8.138 1 U 6.459000E+06 0.000000E+00 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0.000000E+00 a 0 781 0 782 1352 127.808 1.841 7.978 1 U 3.473000E+07 0.000000E+00 a 0 944 924 945 1353 127.365 1.839 7.939 1 U 2.142000E+07 0.000000E+00 a 0 0 0 0 1356 119.573 1.840 7.943 1 U 1.074000E+08 0.000000E+00 a 0 837 817 838 1358 118.588 1.830 7.783 1 U 1.761000E+08 0.000000E+00 a 0 812 817 813 1359 116.132 1.832 8.184 1 U 9.294000E+06 0.000000E+00 a 0 0 0 0 1360 124.359 1.806 8.144 1 U 7.714000E+07 0.000000E+00 a 0 0 0 0 1362 120.701 1.819 7.591 1 U 2.322000E+07 0.000000E+00 a 0 0 0 0 1364 120.091 1.804 7.805 1 U 2.199000E+07 0.000000E+00 a 0 0 0 0 1366 119.182 1.818 7.820 1 U 5.186000E+07 0.000000E+00 a 0 233 216 234 1368 118.820 1.811 8.382 1 U 6.184000E+07 0.000000E+00 a 0 411 391 412 1369 118.140 1.814 8.004 1 U 7.099000E+07 0.000000E+00 a 0 0 0 0 1370 117.817 1.800 8.392 1 U 2.993000E+07 0.000000E+00 a 0 136 126 137 1371 126.656 1.782 8.277 1 U 4.847000E+07 0.000000E+00 a 0 919 903 920 1372 126.254 1.790 8.185 1 U 1.521000E+07 0.000000E+00 a 0 0 0 0 1376 125.236 1.784 8.137 1 U 1.201000E+08 0.000000E+00 a 0 898 903 899 1378 123.594 1.794 8.654 1 U 3.048000E+07 0.000000E+00 a 0 472 478 473 1382 121.400 1.790 8.063 1 U 8.419000E+07 0.000000E+00 a 0 0 0 0 1384 121.188 1.775 7.905 1 U 5.411000E+07 0.000000E+00 a 0 880 859 881 1385 120.562 1.784 7.713 1 U 6.628000E+07 0.000000E+00 a 0 189 195 190 1387 119.480 1.775 7.718 1 U 6.293000E+07 0.000000E+00 a 0 519 500 520 1388 118.923 1.783 8.217 1 U 8.020000E+07 0.000000E+00 a 0 0 0 0 1389 118.946 1.780 7.461 1 U 9.183000E+06 0.000000E+00 a 0 386 391 387 1390 118.752 1.777 8.104 1 U 1.725000E+07 0.000000E+00 a 0 0 0 0 1391 118.547 1.781 7.857 1 U 5.442000E+07 0.000000E+00 a 0 0 0 0 1392 118.428 1.797 8.817 1 U 1.251000E+07 0.000000E+00 a 0 0 0 0 1394 118.375 1.783 8.247 1 U 1.501000E+07 0.000000E+00 a 0 0 0 0 1397 121.851 1.769 8.204 1 U 2.509000E+07 0.000000E+00 a 0 0 0 0 1401 120.483 1.765 7.945 1 U 1.495000E+08 0.000000E+00 a 0 854 859 855 1402 119.633 1.767 8.238 1 U 3.260000E+07 0.000000E+00 a 0 0 0 0 1404 118.483 1.769 8.619 1 U 5.743000E+07 0.000000E+00 a 0 494 500 495 1406 122.152 1.737 7.684 1 U 4.834000E+07 0.000000E+00 a 0 365 377 366 1408 121.882 1.708 8.275 1 U 6.995000E+07 0.000000E+00 a 0 271 276 272 1411 120.544 1.712 8.106 1 U 5.482000E+07 0.000000E+00 a 0 596 601 597 1413 118.416 1.697 7.402 1 U 1.897000E+07 0.000000E+00 a 0 0 0 0 1414 118.087 1.691 7.962 1 U 4.981000E+07 0.000000E+00 a 0 0 0 0 1415 116.078 1.688 8.182 1 U 1.304000E+07 0.000000E+00 a 0 0 0 0 1416 127.817 1.674 7.979 1 U 9.920000E+06 0.000000E+00 a 0 944 925 945 1417 127.372 1.664 7.937 1 U 7.889000E+06 0.000000E+00 a 0 0 0 0 1418 126.657 1.676 8.278 1 U 5.033000E+07 0.000000E+00 a 0 919 925 920 1419 126.271 1.669 8.185 1 U 1.484000E+07 0.000000E+00 a 0 0 0 0 1420 124.418 1.669 8.145 1 U 7.658000E+06 0.000000E+00 a 0 0 0 0 1422 121.255 1.671 8.748 1 U 1.525000E+07 0.000000E+00 a 0 321 327 322 1424 119.193 1.685 7.824 1 U 3.838000E+07 0.000000E+00 a 0 0 0 0 1425 118.153 1.679 8.005 1 U 7.537000E+07 0.000000E+00 a 0 0 0 0 1429 121.524 1.648 7.979 1 U 7.934000E+07 0.000000E+00 a 0 0 0 537 1432 121.004 1.642 8.421 1 U 2.468000E+07 0.000000E+00 a 0 0 0 0 1433 120.680 1.653 7.586 1 U 6.103000E+07 0.000000E+00 a 0 709 0 710 1434 120.607 1.653 7.713 1 U 6.297000E+07 0.000000E+00 a 0 189 194 190 1435 120.126 1.654 7.807 1 U 2.061000E+07 0.000000E+00 a 0 0 0 0 1436 119.857 1.633 7.852 1 U 2.423000E+07 0.000000E+00 a 0 0 0 0 1439 119.570 1.642 7.723 1 U 8.646000E+07 0.000000E+00 a 0 519 524 520 1442 118.756 1.636 8.106 1 U 3.057000E+07 0.000000E+00 a 0 0 0 0 1443 118.582 1.634 7.786 1 U 2.981000E+07 0.000000E+00 a 0 812 818 813 1444 118.547 1.633 7.857 1 U 4.516000E+07 0.000000E+00 a 0 0 0 0 1445 118.135 1.646 8.456 1 U 1.716000E+07 0.000000E+00 a 0 0 0 0 1447 121.333 1.606 8.064 1 U 2.260000E+07 0.000000E+00 a 0 0 0 0 1448 121.272 1.558 7.901 1 U 2.634000E+07 0.000000E+00 a 0 880 860 881 1450 119.586 1.619 8.241 1 U 1.115000E+07 0.000000E+00 a 0 0 0 0 1451 118.906 1.629 8.215 1 U 2.829000E+07 0.000000E+00 a 0 0 0 0 1453 118.447 1.629 8.819 1 U 1.674000E+07 0.000000E+00 a 0 0 0 0 1454 118.511 1.612 8.620 1 U 2.506000E+07 0.000000E+00 a 0 494 507 495 1456 124.400 1.576 8.147 1 U 6.487000E+06 0.000000E+00 a 0 0 0 0 1458 120.498 1.593 7.946 1 U 5.731000E+07 0.000000E+00 a 0 854 860 855 1459 118.306 1.597 8.256 1 U 8.435000E+06 0.000000E+00 a 0 0 0 0 1462 125.323 1.561 8.138 1 U 7.688000E+06 0.000000E+00 a 0 898 0 899 1463 123.622 1.567 8.652 1 U 1.272000E+07 0.000000E+00 a 0 472 481 473 1464 123.543 1.561 7.876 1 U 2.506000E+07 0.000000E+00 a 0 0 0 0 1467 119.963 1.563 8.043 1 U 8.527000E+07 0.000000E+00 a 0 781 0 782 1468 118.408 1.571 7.402 1 U 2.393000E+07 0.000000E+00 a 0 0 0 0 1470 118.784 1.521 8.389 1 U 1.457000E+07 0.000000E+00 a 0 0 0 412 1472 118.103 1.531 8.458 1 U 1.495000E+07 0.000000E+00 a 0 0 0 0 1473 122.169 1.498 7.684 1 U 1.151000E+07 0.000000E+00 a 0 0 0 0 1474 121.889 1.503 8.274 1 U 1.169000E+07 0.000000E+00 a 0 271 280 272 1477 121.253 1.512 8.753 1 U 1.950000E+07 0.000000E+00 a 0 0 0 0 1478 120.765 1.517 7.753 1 U 3.037000E+07 0.000000E+00 a 0 0 0 0 1479 120.632 1.501 7.589 1 U 1.188000E+07 0.000000E+00 a 0 709 721 710 1480 119.193 1.517 7.820 1 U 2.898000E+07 0.000000E+00 a 0 0 0 0 1481 118.133 1.509 8.006 1 U 4.450000E+07 0.000000E+00 a 0 0 0 0 1484 120.600 1.450 7.715 1 U 3.909000E+07 0.000000E+00 a 0 189 198 190 1485 120.163 1.462 7.806 1 U 9.374000E+06 0.000000E+00 a 0 0 0 0 1487 125.230 1.417 8.137 1 U 4.609000E+07 0.000000E+00 a 0 898 904 899 1490 127.811 1.387 7.978 1 U 5.990000E+06 0.000000E+00 a 0 0 0 0 1491 127.114 1.382 8.179 1 U 1.177000E+07 0.000000E+00 a 0 0 0 0 1492 126.660 1.381 8.277 1 U 1.851000E+07 0.000000E+00 a 0 919 930 920 1493 126.261 1.391 8.185 1 U 7.382000E+06 0.000000E+00 a 0 0 0 0 1494 123.548 1.388 7.877 1 U 2.560000E+08 0.000000E+00 a 0 802 806 803 1496 122.170 1.407 8.040 1 U 6.331000E+06 0.000000E+00 a 0 0 0 0 1497 121.552 1.397 7.976 1 U 1.821000E+07 0.000000E+00 a 0 0 0 0 1499 120.980 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118.495 1.366 8.618 1 U 2.500000E+07 0.000000E+00 a 0 494 503 495 1521 118.424 1.355 8.820 1 U 7.757000E+06 0.000000E+00 a 0 0 0 0 1522 118.325 1.367 8.252 1 U 8.236000E+06 0.000000E+00 a 0 0 0 0 1523 118.104 1.363 8.455 1 U 1.474000E+07 0.000000E+00 a 0 0 0 0 1524 118.430 1.343 7.402 1 U 1.458000E+07 0.000000E+00 a 0 0 0 0 1525 122.635 1.320 8.297 1 U 6.486000E+06 0.000000E+00 a 0 37 43 38 1528 123.604 1.289 8.653 1 U 1.615000E+07 0.000000E+00 a 0 0 0 0 1529 121.598 1.256 7.968 1 U 8.828000E+06 0.000000E+00 a 0 0 0 0 1531 119.811 1.263 7.719 1 U 9.017000E+06 0.000000E+00 a 0 0 0 0 1533 118.266 1.256 8.251 1 U 7.167000E+06 0.000000E+00 a 0 0 0 0 1534 121.242 1.231 8.211 1 U 2.078000E+07 0.000000E+00 a 0 0 0 0 1535 120.764 1.234 7.751 1 U 6.662000E+06 0.000000E+00 a 0 0 0 0 1536 120.685 1.225 7.587 1 U 3.350000E+07 0.000000E+00 a 0 709 715 710 1537 118.447 1.235 8.818 1 U 2.034000E+07 0.000000E+00 a 0 0 0 0 1539 123.546 1.151 7.880 1 U 1.530000E+07 0.000000E+00 a 0 0 0 0 1541 121.570 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0.000000E+00 a 0 0 0 0 1594 118.731 0.861 8.106 1 U 3.292000E+07 0.000000E+00 a 0 0 0 0 1595 118.634 0.848 7.786 1 U 2.377000E+07 0.000000E+00 a 0 0 0 0 1596 118.440 0.848 8.819 1 U 5.345000E+07 0.000000E+00 a 0 639 627 640 1597 118.461 0.851 8.619 1 U 4.578000E+07 0.000000E+00 a 0 0 0 0 1598 118.156 0.856 8.457 1 U 3.120000E+07 0.000000E+00 a 0 0 0 0 1599 117.817 0.854 8.391 1 U 1.954000E+07 0.000000E+00 a 0 0 0 0 1601 127.798 0.829 7.978 1 U 1.461000E+07 0.000000E+00 a 0 0 0 0 1602 127.358 0.832 7.940 1 U 7.576000E+06 0.000000E+00 a 0 0 0 0 1603 126.669 0.825 8.277 1 U 3.835000E+07 0.000000E+00 a 0 0 0 0 1604 126.259 0.831 8.184 1 U 1.230000E+07 0.000000E+00 a 0 0 0 0 1606 125.248 0.840 8.137 1 U 7.364000E+07 0.000000E+00 a 0 898 913 899 1615 121.238 0.834 8.749 1 U 3.918000E+07 0.000000E+00 a 0 0 0 0 1623 120.184 0.829 8.240 1 U 1.972000E+07 0.000000E+00 a 0 0 0 0 1624 120.127 0.839 7.807 1 U 2.374000E+07 0.000000E+00 a 0 0 0 0 1626 119.945 0.838 8.044 1 U 1.102000E+08 0.000000E+00 a 0 781 796 782 1629 119.643 0.831 8.243 1 U 1.706000E+07 0.000000E+00 a 0 0 0 0 1631 119.194 0.835 7.822 1 U 5.502000E+07 0.000000E+00 a 0 0 0 0 1632 118.785 0.833 8.385 1 U 7.112000E+07 0.000000E+00 a 0 411 417 412 1633 118.413 0.838 7.403 1 U 3.739000E+07 0.000000E+00 a 0 0 560 572 1634 118.254 0.842 8.252 1 U 6.666000E+07 0.000000E+00 a 0 553 560 554 1635 118.134 0.840 8.005 1 U 8.743000E+07 0.000000E+00 a 0 0 0 0 1638 117.456 0.840 7.708 1 U 7.267000E+06 0.000000E+00 a 0 0 0 0 1639 116.080 0.837 8.183 1 U 2.823000E+07 0.000000E+00 a 0 0 0 0 1640 122.143 0.802 7.684 1 U 7.963000E+07 0.000000E+00 a 0 365 380 366 1645 118.772 0.598 8.383 1 U 1.625000E+07 0.000000E+00 a 0 411 426 412 1646 125.227 4.092 8.138 1 U 8.370000E+07 0.000000E+00 a 0 898 901 899 1647 122.205 2.644 7.689 1 U 5.094000E+06 0.000000E+00 a 0 0 0 0 1648 117.825 6.951 8.392 1 U 4.488000E+06 0.000000E+00 a 0 136 148 137 1649 121.452 8.063 8.062 1 U 5.119000E+08 0.000000E+00 a 0 77 78 78 1650 121.287 6.754 8.070 1 U 3.878000E+06 0.000000E+00 a 0 77 86 78 1652 116.032 1.505 8.183 1 U 5.431000E+06 0.000000E+00 a 0 0 0 0 1653 116.032 1.249 8.180 1 U 2.844000E+06 0.000000E+00 a 0 0 0 0 1654 118.092 0.849 7.953 1 U 4.680000E+07 0.000000E+00 a 0 0 0 0 1655 118.092 1.808 7.955 1 U 4.754000E+07 0.000000E+00 a 0 0 0 0 1656 118.092 6.406 7.947 1 U 2.494000E+06 0.000000E+00 a 0 0 0 294 1657 118.175 7.718 8.245 1 U 1.075000E+07 0.000000E+00 a 0 0 520 554 1658 118.760 1.906 8.381 1 U 5.077000E+07 0.000000E+00 a 0 411 392 412 1659 118.760 2.780 8.379 1 U 7.809000E+06 0.000000E+00 a 0 0 0 0 1660 118.760 2.889 8.385 1 U 6.060000E+06 0.000000E+00 a 0 0 0 0 1661 118.760 4.273 8.381 1 U 6.628000E+06 0.000000E+00 a 0 411 0 412 1662 118.760 4.505 8.382 1 U 4.552000E+06 0.000000E+00 a 0 411 0 412 1663 118.760 8.381 8.384 1 U 1.056000E+08 0.000000E+00 a 0 411 412 412 1664 119.710 8.238 8.243 1 U 1.751000E+08 0.000000E+00 a 0 0 0 0 1665 119.959 6.637 8.045 1 U 4.090000E+06 0.000000E+00 a 0 0 0 0 1666 119.405 8.421 7.720 1 U 2.021000E+07 0.000000E+00 a 0 519 458 520 1667 111.072 7.627 7.622 1 U 1.086000E+09 0.000000E+00 a 0 0 0 0 1668 111.072 6.635 7.622 1 U 7.427000E+08 0.000000E+00 a 0 0 0 0 1669 111.072 6.629 6.630 1 U 8.188000E+08 0.000000E+00 a 0 0 0 0 1670 111.072 7.618 6.630 1 U 5.224000E+08 0.000000E+00 a 0 0 0 0 1671 111.072 4.096 6.636 1 U 7.093000E+06 0.000000E+00 a 0 0 0 0 1672 111.072 4.090 7.622 1 U 1.256000E+07 0.000000E+00 a 0 0 0 0 1673 111.072 3.756 7.627 1 U 1.063000E+07 0.000000E+00 a 0 0 0 0 1674 111.072 3.744 6.633 1 U 1.239000E+07 0.000000E+00 a 0 0 0 0 1675 111.072 0.862 7.621 1 U 3.652000E+07 0.000000E+00 a 0 0 0 0 1676 111.072 0.877 6.631 1 U 3.341000E+07 0.000000E+00 a 0 0 0 0 1677 111.072 1.628 6.631 1 U 1.539000E+07 0.000000E+00 a 0 0 0 0 1678 111.072 1.620 7.624 1 U 1.850000E+07 0.000000E+00 a 0 0 0 0 1679 111.072 1.402 7.624 1 U 6.727000E+06 0.000000E+00 a 0 0 0 0 1680 111.072 1.397 6.632 1 U 4.341000E+06 0.000000E+00 a 0 0 0 0 1681 111.072 2.333 6.634 1 U 3.291000E+07 0.000000E+00 a 0 0 0 0 1682 111.072 2.410 6.631 1 U 2.985000E+07 0.000000E+00 a 0 0 0 0 1683 111.072 2.335 7.624 1 U 7.968000E+07 0.000000E+00 a 0 0 0 0 1684 111.072 2.410 7.621 1 U 7.879000E+07 0.000000E+00 a 0 0 0 0 1685 111.072 2.899 7.624 1 U 6.643000E+06 0.000000E+00 a 0 0 0 0 1686 111.072 2.908 6.629 1 U 5.252000E+06 0.000000E+00 a 0 0 0 0 1687 118.437 8.814 7.396 1 U 4.420000E+06 0.000000E+00 a 0 0 0 0 1688 120.465 8.235 8.105 1 U 3.835000E+07 0.000000E+00 a 0 0 0 0 1690 118.083 3.972 8.005 1 U 4.568000E+07 0.000000E+00 a 0 211 214 212 1691 121.905 1.948 8.275 1 U 4.124000E+07 0.000000E+00 a 0 271 255 272 1692 121.905 1.830 8.272 1 U 5.272000E+07 0.000000E+00 a 0 271 277 272 1693 119.565 8.741 7.932 1 U 1.364000E+07 0.000000E+00 a 0 0 0 0 1695 126.678 1.131 8.278 1 U 3.606000E+06 0.000000E+00 a 0 919 910 920 1696 125.259 4.500 8.137 1 U 1.156000E+07 0.000000E+00 a 0 0 0 0 1697 121.638 8.116 8.120 1 U 2.762000E+08 0.000000E+00 a 0 0 0 0 1698 119.578 6.414 7.940 1 U 4.616000E+06 0.000000E+00 a 0 0 0 0 1699 119.598 0.843 7.940 1 U 4.160000E+07 0.000000E+00 a 0 0 0 0 1700 118.641 3.159 8.107 1 U 3.926000E+06 0.000000E+00 a 0 0 0 0 1701 123.558 0.839 7.873 1 U 7.065000E+07 0.000000E+00 a 0 0 0 0 1702 122.592 4.452 8.288 1 U 2.622000E+07 0.000000E+00 a 0 37 21 38 1703 122.592 1.966 8.291 1 U 7.422000E+06 0.000000E+00 a 0 37 23 38 1704 122.542 1.633 8.298 1 U 2.463000E+07 0.000000E+00 a 0 37 42 38 1705 121.221 7.583 8.756 1 U 5.525000E+06 0.000000E+00 a 0 0 0 0 1706 121.526 4.051 7.966 1 U 5.256000E+07 0.000000E+00 a 0 536 522 537 1707 121.932 6.419 8.275 1 U 3.999000E+06 0.000000E+00 a 0 0 0 0 1708 121.018 6.620 8.424 1 U 2.514000E+06 0.000000E+00 a 0 0 0 0 1709 116.058 1.953 8.184 1 U 2.309000E+07 0.000000E+00 a 0 310 299 311 1710 119.442 8.334 8.332 1 U 4.604000E+07 0.000000E+00 a 0 0 0 0 1711 119.442 1.646 8.319 1 U 9.550000E+06 0.000000E+00 a 0 62 42 63 1712 119.888 6.631 7.852 1 U 3.224000E+06 0.000000E+00 a 0 762 777 763 1713 119.888 2.393 7.853 1 U 6.520000E+07 0.000000E+00 a 0 762 772 763 1714 118.613 2.931 7.784 1 U 5.409000E+06 0.000000E+00 a 0 0 0 0 1715 120.040 7.720 7.725 1 U 2.527000E+08 0.000000E+00 a 0 0 0 0 1716 120.040 1.918 7.720 1 U 9.504000E+07 0.000000E+00 a 0 432 416 433 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 15 ppm . . . 4.7 . . 34865 1 2 . . N 15 N . 'not observed' 30 ppm . . . 117 . . 34865 1 3 . . H 1 HN . 'not observed' 15 ppm . . . 4.7 . . 34865 1 stop_ save_